| 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 | 60.1 | Low | 84 | Confident | 154 Ų | 154 | 87.6 Ų | 87.6 | 76% | 0.759 | 44% | 0.436 | S | S | * | . | 0 | -49.5 | 0 | -153.4 | 173.6 | -67.9 | 0 | 0 | 111.6 | E3 K4 L5 T28 | M1-E3 PolarHBondContact O-N 3.1Å; M1-K4 PolarHBondContact O-N 2.84Å; M1-L5 PolarHBondContact O-N 3.43Å; M1-L5 VanDerWaalsContact O-N 3.1Å; M1-T28 HydrophobicContact CE-CG2 3.3Å; M1-T28 HydrophobicContact SD-CG2 4.06Å | |||
| 2 | C | 71.1 | Confident | 84.6 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 66% | 0.655 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.6 | -37.5 | -179.8 | -57.6 | 0 | 0 | 0 | 0 | 115.1 | R6 | C2-R6 WeakPolarHBondContact O-CB 3.29Å; C2-R6 PolarHBondContact O-N 3.2Å |
| 3 | E | 80.8 | Confident | 85 | Confident | 150 Ų | 150 | 77.8 Ų | 77.8 | 70% | 0.701 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -71.6 | -42.6 | 178.8 | -63.1 | -170.6 | 145.9 | 0 | 0 | 113.3 | M1 L5 R6 K7 | M1-E3 PolarHBondContact O-N 3.1Å; E3-L5 VanDerWaalsContact C-N 3.35Å; E3-L5 PolarHBondContact O-N 3.11Å; E3-R6 PolarHBondContact O-N 2.73Å; E3-K7 PolarHBondContact O-N 3.26Å |
| 4 | K | 86.1 | Confident | 85.3 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 33% | 0.326 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.1 | -70.4 | -174.1 | 171.5 | 179.9 | 0 | 111 | M1 R6 K7 V8 V31 D32 Y35 | M1-K4 PolarHBondContact O-N 2.84Å; K4-R6 VanDerWaalsContact C-N 3.35Å; K4-R6 PolarHBondContact O-N 2.99Å; K4-K7 PolarHBondContact O-N 3.18Å; K4-V8 VanDerWaalsContact O-CG2 3.3Å; K4-V8 WeakPolarHBondContact O-CG2 3.36Å; K4-V8 PolarHBondContact O-N 3.21Å; K4-V31 HydrophobicContact CB-CG1 4.04Å; K4-D32 WeakPolarHBondContact CD-OD1 3.36Å; K4-D32 IonicContact NZ-OD1 3.99Å; K4-D32 PolarHBondContact NZ-OD1 3.2Å; K4-Y35 HydrophobicContact CB-CD2 3.76Å; K4-Y35 HydrophobicContact CB-CE2 4.2Å; K4-Y35 HydrophobicContact CB-CG 4.14Å; K4-Y35 HydrophobicContact CD-CD1 4.25Å; K4-Y35 HydrophobicContact CD-CG 4.22Å; K4-Y35 HydrophobicContact CG-CD1 4.29Å; K4-Y35 HydrophobicContact CG-CD2 3.78Å; K4-Y35 HydrophobicContact CG-CE1 4.38Å; K4-Y35 HydrophobicContact CG-CE2 3.87Å; K4-Y35 HydrophobicContact CG-CG 4Å |
| 5 | L | 86.4 | Confident | 85.5 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 23% | 0.23 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 178 | -175.2 | 62.6 | 0 | 0 | 0 | 112.3 | M1 E3 V8 N9 F24 V26 V31 | M1-L5 PolarHBondContact O-N 3.43Å; M1-L5 VanDerWaalsContact O-N 3.1Å; E3-L5 VanDerWaalsContact C-N 3.35Å; E3-L5 PolarHBondContact O-N 3.11Å; L5-V8 PolarHBondContact O-N 2.82Å; L5-N9 WeakPolarHBondContact O-CB 3.35Å; L5-N9 PolarHBondContact O-N 3.46Å; L5-N9 PolarHBondContact O-ND2 3.03Å; L5-F24 HydrophobicContact CD1-CE2 4.46Å; L5-F24 HydrophobicContact CD1-CZ 4.34Å; L5-V26 HydrophobicContact CD1-CG1 3.85Å; L5-V26 HydrophobicContact CD2-CG1 3.84Å; L5-V31 HydrophobicContact CB-CG1 4.26Å; L5-V31 HydrophobicContact CD1-CG1 4.46Å; L5-V31 HydrophobicContact CD1-CG2 3.83Å |
| 6 | R | 88 | Confident | 85.8 | Confident | 155 Ų | 155 | 77.6 Ų | 77.6 | 59% | 0.585 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.6 | -45.7 | 175 | -168.3 | -170.8 | -54.4 | 111.5 | -0.6 | 111.8 | C2 E3 K4 N9 S10 | C2-R6 WeakPolarHBondContact O-CB 3.29Å; C2-R6 PolarHBondContact O-N 3.2Å; E3-R6 PolarHBondContact O-N 2.73Å; K4-R6 VanDerWaalsContact C-N 3.35Å; K4-R6 PolarHBondContact O-N 2.99Å; R6-N9 PolarHBondContact O-N 3.44Å; R6-S10 WeakPolarHBondContact O-CB 3.34Å; R6-S10 PolarHBondContact O-N 3.31Å |
| 7 | K | 89.1 | Confident | 85.8 | Confident | 74 Ų | 74 | 76 Ų | 76 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.1 | -175.9 | 158.4 | 178.9 | 164.3 | 0 | 111.5 | E3 K4 S10 W11 Y35 E42 | E3-K7 PolarHBondContact O-N 3.26Å; K4-K7 PolarHBondContact O-N 3.18Å; K7-S10 PolarHBondContact O-N 2.93Å; K7-W11 WeakPolarHBondContact O-CB 3.48Å; K7-W11 PolarHBondContact O-N 2.92Å; K7-Y35 HydrophobicContact CB-CD2 4.32Å; K7-Y35 HydrophobicContact CB-CE2 4.13Å; K7-Y35 HydrophobicContact CD-CE2 3.84Å; K7-Y35 HydrophobicContact CG-CD2 4.49Å; K7-Y35 HydrophobicContact CG-CE2 4.21Å; K7-E42 WeakPolarHBondContact CE-OE2 3.35Å; K7-E42 IonicContact NZ-OE1 3.88Å; K7-E42 IonicContact NZ-OE2 3.22Å; K7-E42 PolarHBondContact NZ-OE2 3.44Å |
| 8 | V | 91 | Very high | 86 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.3 | -49 | 174.2 | 167.4 | 0 | 0 | 0 | 0 | 111.7 | K4 L5 S10 W11 L12 F24 L34 Y35 | K4-V8 VanDerWaalsContact O-CG2 3.3Å; K4-V8 WeakPolarHBondContact O-CG2 3.36Å; K4-V8 PolarHBondContact O-N 3.21Å; L5-V8 PolarHBondContact O-N 2.82Å; V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 3.28Å; V8-W11 PolarHBondContact O-N 3.06Å; V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.2Å; V8-L12 WeakPolarHBondContact O-CB 3.47Å; V8-L12 VanDerWaalsContact O-CG 3.26Å; V8-L12 WeakPolarHBondContact O-CG 3.42Å; V8-L12 PolarHBondContact O-N 2.82Å; V8-F24 HydrophobicContact CG1-CZ 4.37Å; V8-L34 HydrophobicContact CB-CB 4.42Å; V8-L34 HydrophobicContact CG1-CB 3.63Å; V8-L34 HydrophobicContact CG1-CD1 3.84Å; V8-L34 HydrophobicContact CG1-CG 4.35Å; V8-L34 HydrophobicContact CG2-CB 3.82Å; V8-Y35 HydrophobicContact CG2-CD2 4.46Å |
| 9 | N | 88.9 | Confident | 86.2 | Confident | 78 Ų | 78 | 84.7 Ų | 84.7 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | -179.8 | -74.3 | -22.2 | 0 | 0 | 0 | 112.5 | L5 R6 G13 | L5-N9 WeakPolarHBondContact O-CB 3.35Å; L5-N9 PolarHBondContact O-N 3.46Å; L5-N9 PolarHBondContact O-ND2 3.03Å; R6-N9 PolarHBondContact O-N 3.44Å; N9-G13 PolarHBondContact O-N 3.21Å |
| 10 | S | 90.1 | Very high | 86.3 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 62% | 0.622 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 174.4 | -171.9 | 0 | 0 | 0 | 0 | 112 | R6 K7 V8 G13 A14 | R6-S10 WeakPolarHBondContact O-CB 3.34Å; R6-S10 PolarHBondContact O-N 3.31Å; K7-S10 PolarHBondContact O-N 2.93Å; V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 3.28Å; S10-G13 PolarHBondContact O-N 3.46Å; S10-A14 PolarHBondContact O-N 3.49Å |
| 11 | W | 92.8 | Very high | 86.4 | Confident | 48 Ų | 48 | 85 Ų | 85 | 18% | 0.182 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 176.9 | 169.9 | 71.2 | 0 | 0 | 0 | 111.6 | K7 V8 G13 A14 V15 L34 M37 A38 S41 | K7-W11 WeakPolarHBondContact O-CB 3.48Å; K7-W11 PolarHBondContact O-N 2.92Å; V8-W11 PolarHBondContact O-N 3.06Å; W11-G13 VanDerWaalsContact C-N 3.33Å; W11-G13 PolarHBondContact O-N 3.35Å; W11-A14 PolarHBondContact O-N 2.83Å; W11-A14 VanDerWaalsContact O-N 3.15Å; W11-V15 HydrophobicContact CD2-CG2 4.18Å; W11-V15 HydrophobicContact CG-CG2 4.36Å; W11-V15 HydrophobicContact CZ2-CG2 4.04Å; W11-V15 VanDerWaalsContact O-CG2 3.31Å; W11-V15 WeakPolarHBondContact O-CG2 3.48Å; W11-V15 PolarHBondContact O-N 2.85Å; W11-L34 HydrophobicContact CZ3-CD2 4.33Å; W11-M37 HydrophobicContact CH2-CB 3.79Å; W11-M37 HydrophobicContact CZ2-CB 4.35Å; W11-M37 HydrophobicContact CZ3-CB 4.3Å; W11-A38 HydrophobicContact CB-CB 3.78Å; W11-A38 HydrophobicContact CD2-CB 3.48Å; W11-A38 VanDerWaalsContact CD2-CB 3.48Å; W11-A38 HydrophobicContact CE3-CB 3.71Å; W11-A38 HydrophobicContact CG-CB 3.5Å; W11-A38 HydrophobicContact CZ3-CB 4.48Å; W11-S41 VanDerWaalsContact NE1-CB 3.3Å; W11-S41 PolarHBondContact NE1-OG 2.87Å |
| 12 | L | 91.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 81 Ų | 81 | 8% | 0.079 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 175.1 | -69.6 | 170.3 | 0 | 0 | 0 | 110.9 | V8 A14 V15 F16 V21 F24 | V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.2Å; V8-L12 WeakPolarHBondContact O-CB 3.47Å; V8-L12 VanDerWaalsContact O-CG 3.26Å; V8-L12 WeakPolarHBondContact O-CG 3.42Å; V8-L12 PolarHBondContact O-N 2.82Å; L12-A14 VanDerWaalsContact C-N 3.32Å; L12-A14 PolarHBondContact O-N 3.09Å; L12-V15 PolarHBondContact O-N 3.38Å; L12-F16 HydrophobicContact CB-CD2 4.42Å; L12-F16 HydrophobicContact CD2-CD2 4.5Å; L12-F16 HydrophobicContact CD2-CE2 3.98Å; L12-F16 VanDerWaalsContact O-CD2 3.23Å; L12-F16 WeakPolarHBondContact O-CD2 3.42Å; L12-F16 PolarHBondContact O-N 3.27Å; L12-V21 HydrophobicContact CB-CG1 3.85Å; L12-V21 HydrophobicContact CB-CG2 4.01Å; L12-V21 HydrophobicContact CD1-CG1 3.96Å; L12-V21 HydrophobicContact CG-CG1 4.36Å; L12-F24 HydrophobicContact CD1-CD1 4.17Å; L12-F24 HydrophobicContact CD1-CE1 3.59Å; L12-F24 HydrophobicContact CD1-CZ 4.07Å |
| 13 | G | 90.2 | Very high | 88.5 | Confident | 33 Ų | 33 | 82.8 Ų | 82.8 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | N9 S10 W11 G17 | N9-G13 PolarHBondContact O-N 3.21Å; S10-G13 PolarHBondContact O-N 3.46Å; W11-G13 VanDerWaalsContact C-N 3.33Å; W11-G13 PolarHBondContact O-N 3.35Å; G13-G17 PolarHBondContact O-N 2.88Å |
| 14 | A | 88.8 | Confident | 88.8 | Confident | 82 Ų | 82 | 78.7 Ų | 78.7 | 68% | 0.678 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.6 | -36.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S10 W11 L12 | S10-A14 PolarHBondContact O-N 3.49Å; W11-A14 PolarHBondContact O-N 2.83Å; W11-A14 VanDerWaalsContact O-N 3.15Å; L12-A14 VanDerWaalsContact C-N 3.32Å; L12-A14 PolarHBondContact O-N 3.09Å |
| 15 | V | 88.8 | Confident | 89 | Confident | 81 Ų | 81 | 81.5 Ų | 81.5 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72 | -40.4 | 179.5 | 170 | 0 | 0 | 0 | 0 | 112 | W11 L12 | W11-V15 HydrophobicContact CD2-CG2 4.18Å; W11-V15 HydrophobicContact CG-CG2 4.36Å; W11-V15 HydrophobicContact CZ2-CG2 4.04Å; W11-V15 VanDerWaalsContact O-CG2 3.31Å; W11-V15 WeakPolarHBondContact O-CG2 3.48Å; W11-V15 PolarHBondContact O-N 2.85Å; L12-V15 PolarHBondContact O-N 3.38Å |
| 16 | F | 88.9 | Confident | 88.9 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 29% | 0.289 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -85.7 | -15.7 | -179.6 | -74.3 | -79.2 | 0 | 0 | 0 | 113.3 | L12 D18 Q19 V21 P22 | L12-F16 HydrophobicContact CB-CD2 4.42Å; L12-F16 HydrophobicContact CD2-CD2 4.5Å; L12-F16 HydrophobicContact CD2-CE2 3.98Å; L12-F16 VanDerWaalsContact O-CD2 3.23Å; L12-F16 WeakPolarHBondContact O-CD2 3.42Å; L12-F16 PolarHBondContact O-N 3.27Å; F16-D18 PolarHBondContact O-N 2.91Å; F16-Q19 HydrophobicContact CB-CB 4.41Å; F16-Q19 WeakPolarHBondContact CB-O 3.41Å; F16-Q19 WeakPolarHBondContact O-CB 3.48Å; F16-Q19 PolarHBondContact O-N 3.37Å; F16-V21 HydrophobicContact CB-CG2 4.31Å; F16-V21 HydrophobicContact CD2-CB 4.36Å; F16-V21 HydrophobicContact CD2-CG1 4.23Å; F16-V21 HydrophobicContact CD2-CG2 3.95Å; F16-V21 HydrophobicContact CE2-CG1 4.29Å; F16-V21 HydrophobicContact CG-CG2 4.39Å; F16-P22 HydrophobicContact CE1-CG 4.05Å; F16-P22 VanDerWaalsContact CZ-CD 3.46Å; F16-P22 HydrophobicContact CZ-CG 3.99Å |
| 17 | G | 86.8 | Confident | 89.1 | Confident | 51 Ų | 51 | 78.6 Ų | 78.6 | 53% | 0.526 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -118.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G13 Q19 | G13-G17 PolarHBondContact O-N 2.88Å; G17-Q19 VanDerWaalsContact C-N 3.3Å |
| 18 | D | 88.4 | Confident | 89 | Confident | 178 Ų | 178 | 79 Ų | 79 | 95% | 0.952 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -8.1 | 178.9 | -62.9 | -33.2 | 0 | 0 | 0 | 113.6 | F16 | F16-D18 PolarHBondContact O-N 2.91Š|
| 19 | Q | 90.4 | Very high | 89 | Confident | 139 Ų | 139 | 88 Ų | 88 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -83 | 143.1 | 178.2 | -63.8 | -173.8 | -4.7 | 0 | 0 | 111.5 | F16 G17 V21 | F16-Q19 HydrophobicContact CB-CB 4.41Å; F16-Q19 WeakPolarHBondContact CB-O 3.41Å; F16-Q19 WeakPolarHBondContact O-CB 3.48Å; F16-Q19 PolarHBondContact O-N 3.37Å; G17-Q19 VanDerWaalsContact C-N 3.3Å; Q19-V21 PolarHBondContact O-N 3.24Å |
| 20 | P | 87.5 | Confident | 89 | Confident | 120 Ų | 120 | 86 Ų | 86 | 78% | 0.779 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 131.9 | 175.6 | 27.7 | -33.5 | 0 | 0 | 0 | 110.6 | P22 | P20-P22 WeakPolarHBondContact O-CD 3.48Š|
| 21 | V | 88.4 | Confident | 89 | Confident | 55 Ų | 55 | 82 Ų | 82 | 33% | 0.333 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 125.6 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | L12 F16 Q19 | L12-V21 HydrophobicContact CB-CG1 3.85Å; L12-V21 HydrophobicContact CB-CG2 4.01Å; L12-V21 HydrophobicContact CD1-CG1 3.96Å; L12-V21 HydrophobicContact CG-CG1 4.36Å; F16-V21 HydrophobicContact CB-CG2 4.31Å; F16-V21 HydrophobicContact CD2-CB 4.36Å; F16-V21 HydrophobicContact CD2-CG1 4.23Å; F16-V21 HydrophobicContact CD2-CG2 3.95Å; F16-V21 HydrophobicContact CE2-CG1 4.29Å; F16-V21 HydrophobicContact CG-CG2 4.39Å; Q19-V21 PolarHBondContact O-N 3.24Å |
| 22 | P | 89.6 | Confident | 89 | Confident | 70 Ų | 70 | 82.9 Ų | 82.9 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 143.3 | 177.4 | -26.1 | 35 | 0 | 0 | 0 | 112.2 | F16 P20 F24 | F16-P22 HydrophobicContact CE1-CG 4.05Å; F16-P22 VanDerWaalsContact CZ-CD 3.46Å; F16-P22 HydrophobicContact CZ-CG 3.99Å; P20-P22 WeakPolarHBondContact O-CD 3.48Å; P22-F24 PolarHBondContact O-N 3.17Å |
| 23 | P | 86.1 | Confident | 89.1 | Confident | 136 Ų | 136 | 86.3 Ų | 86.3 | 88% | 0.883 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 132.7 | 177.2 | 27.4 | -33.6 | 0 | 0 | 0 | 109.9 | ||
| 24 | F | 87.3 | Confident | 89.2 | Confident | 63 Ų | 63 | 86.1 Ų | 86.1 | 28% | 0.276 | 48% | 0.484 | S | S | . | . | trans | -130.8 | 156.1 | 177.8 | 67.5 | -88.4 | 0 | 0 | 0 | 110.8 | L5 V8 L12 P22 V26 T30 L34 | L5-F24 HydrophobicContact CD1-CE2 4.46Å; L5-F24 HydrophobicContact CD1-CZ 4.34Å; V8-F24 HydrophobicContact CG1-CZ 4.37Å; L12-F24 HydrophobicContact CD1-CD1 4.17Å; L12-F24 HydrophobicContact CD1-CE1 3.59Å; L12-F24 HydrophobicContact CD1-CZ 4.07Å; P22-F24 PolarHBondContact O-N 3.17Å; F24-V26 HydrophobicContact CD2-CG2 4.38Å; F24-V26 HydrophobicContact CE2-CG2 3.95Å; F24-V26 HydrophobicContact CZ-CG2 4.42Å; F24-V26 PolarHBondContact O-N 2.96Å; F24-T30 HydrophobicContact CD2-CG2 4.13Å; F24-L34 HydrophobicContact CD2-CD1 3.73Å; F24-L34 HydrophobicContact CE2-CD1 3.73Å; F24-L34 HydrophobicContact CG-CD1 4.25Å; F24-L34 HydrophobicContact CZ-CD1 4.26Å | ||
| 25 | E | 89.9 | Confident | 89.4 | Confident | 135 Ų | 135 | 84.3 Ų | 84.3 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | trans | -74.1 | 117.2 | 179.6 | -166.8 | -168.3 | 151.5 | 0 | 0 | 110.8 | N27 T30 | E25-N27 VanDerWaalsContact C-N 3.26Å; E25-N27 HydrophobicContact CG-CB 4.43Å; E25-N27 PolarHBondContact O-N 2.84Å; E25-N27 PolarHBondContact OE1-ND2 3.1Å; E25-N27 PolarHBondContact OE2-ND2 3.19Å; E25-T30 VanDerWaalsContact O-CB 3.25Å; E25-T30 WeakPolarHBondContact O-CB 3.47Å; E25-T30 VanDerWaalsContact O-CG2 3.25Å; E25-T30 WeakPolarHBondContact O-CG2 3.49Å | ||
| 26 | V | 85.9 | Confident | 89.6 | Confident | 93 Ų | 93 | 85.4 Ų | 85.4 | 56% | 0.564 | 46% | 0.46 | S | S | * | . | trans | -83.9 | 70.9 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 110 | L5 F24 V31 | L5-V26 HydrophobicContact CD1-CG1 3.85Å; L5-V26 HydrophobicContact CD2-CG1 3.84Å; F24-V26 HydrophobicContact CD2-CG2 4.38Å; F24-V26 HydrophobicContact CE2-CG2 3.95Å; F24-V26 HydrophobicContact CZ-CG2 4.42Å; F24-V26 PolarHBondContact O-N 2.96Å; V26-V31 HydrophobicContact CG1-CG2 3.97Å | ||
| 27 | N | 90.3 | Very high | 89.8 | Confident | 45 Ų | 45 | 87.1 Ų | 87.1 | 24% | 0.241 | 47% | 0.47 | C | S | . | . | trans | -108.1 | 162.9 | 170.3 | 75.8 | 41.7 | 0 | 0 | 0 | 110.8 | E25 R29 T30 V31 | E25-N27 VanDerWaalsContact C-N 3.26Å; E25-N27 HydrophobicContact CG-CB 4.43Å; E25-N27 PolarHBondContact O-N 2.84Å; E25-N27 PolarHBondContact OE1-ND2 3.1Å; E25-N27 PolarHBondContact OE2-ND2 3.19Å; N27-R29 VanDerWaalsContact C-N 3.31Å; N27-R29 PolarHBondContact O-N 3.49Å; N27-R29 WeakPolarHBondContact OD1-CB 3.47Å; N27-R29 PolarHBondContact OD1-N 2.98Å; N27-R29 VanDerWaalsContact OD1-N 3.14Å; N27-T30 VanDerWaalsContact CG-OG1 3.31Å; N27-T30 PolarHBondContact ND2-OG1 3.39Å; N27-T30 PolarHBondContact O-N 3Å; N27-T30 WeakPolarHBondContact OD1-CB 3.3Å; N27-T30 PolarHBondContact OD1-N 3.41Å; N27-T30 PolarHBondContact OD1-OG1 2.94Å; N27-V31 VanDerWaalsContact O-CG2 3.31Å; N27-V31 WeakPolarHBondContact O-CG2 3.21Å; N27-V31 PolarHBondContact O-N 2.8Å | ||
| 28 | T | 88.1 | Confident | 90.1 | Very high | 81 Ų | 81 | 84.8 Ų | 84.8 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | -175.4 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | M1 D32 | M1-T28 HydrophobicContact CE-CG2 3.3Å; M1-T28 HydrophobicContact SD-CG2 4.06Å; T28-D32 WeakPolarHBondContact O-CB 3.4Å; T28-D32 PolarHBondContact O-N 3.36Å |
| 29 | R | 90 | Very high | 90.3 | Very high | 190 Ų | 190 | 79.5 Ų | 79.5 | 72% | 0.717 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.2 | -47.3 | 179 | -179.4 | 178.6 | 177.9 | 172.8 | -0.3 | 112 | N27 D32 I33 | N27-R29 VanDerWaalsContact C-N 3.31Å; N27-R29 PolarHBondContact O-N 3.49Å; N27-R29 WeakPolarHBondContact OD1-CB 3.47Å; N27-R29 PolarHBondContact OD1-N 2.98Å; N27-R29 VanDerWaalsContact OD1-N 3.14Å; R29-D32 PolarHBondContact O-N 3.35Å; R29-I33 HydrophobicContact CG-CD1 3.93Å; R29-I33 VanDerWaalsContact O-CG1 3.25Å; R29-I33 WeakPolarHBondContact O-CG1 3.23Å; R29-I33 PolarHBondContact O-N 3.4Å |
| 30 | T | 89.4 | Confident | 90.4 | Very high | 37 Ų | 37 | 76 Ų | 76 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | -179.7 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | F24 E25 N27 D32 I33 L34 | F24-T30 HydrophobicContact CD2-CG2 4.13Å; E25-T30 VanDerWaalsContact O-CB 3.25Å; E25-T30 WeakPolarHBondContact O-CB 3.47Å; E25-T30 VanDerWaalsContact O-CG2 3.25Å; E25-T30 WeakPolarHBondContact O-CG2 3.49Å; N27-T30 VanDerWaalsContact CG-OG1 3.31Å; N27-T30 PolarHBondContact ND2-OG1 3.39Å; N27-T30 PolarHBondContact O-N 3Å; N27-T30 WeakPolarHBondContact OD1-CB 3.3Å; N27-T30 PolarHBondContact OD1-N 3.41Å; N27-T30 PolarHBondContact OD1-OG1 2.94Å; T30-D32 VanDerWaalsContact C-N 3.34Å; T30-D32 PolarHBondContact O-N 3.23Å; T30-I33 PolarHBondContact O-N 2.93Å; T30-L34 HydrophobicContact CG2-CD1 3.92Å; T30-L34 HydrophobicContact CG2-CG 4.38Å; T30-L34 WeakPolarHBondContact O-CB 3.35Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.45Å; T30-L34 PolarHBondContact O-N 3.42Å |
| 31 | V | 91.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | K4 L5 V26 N27 Y35 | K4-V31 HydrophobicContact CB-CG1 4.04Å; L5-V31 HydrophobicContact CB-CG1 4.26Å; L5-V31 HydrophobicContact CD1-CG1 4.46Å; L5-V31 HydrophobicContact CD1-CG2 3.83Å; V26-V31 HydrophobicContact CG1-CG2 3.97Å; N27-V31 VanDerWaalsContact O-CG2 3.31Å; N27-V31 WeakPolarHBondContact O-CG2 3.21Å; N27-V31 PolarHBondContact O-N 2.8Å; V31-Y35 WeakPolarHBondContact O-CB 3.4Å; V31-Y35 PolarHBondContact O-N 2.72Å |
| 32 | D | 92 | Very high | 90.8 | Very high | 67 Ų | 67 | 74.5 Ų | 74.5 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 176.7 | -80 | -31.3 | 0 | 0 | 0 | 112.3 | K4 T28 R29 T30 Y35 Q36 | K4-D32 WeakPolarHBondContact CD-OD1 3.36Å; K4-D32 IonicContact NZ-OD1 3.99Å; K4-D32 PolarHBondContact NZ-OD1 3.2Å; T28-D32 WeakPolarHBondContact O-CB 3.4Å; T28-D32 PolarHBondContact O-N 3.36Å; R29-D32 PolarHBondContact O-N 3.35Å; T30-D32 VanDerWaalsContact C-N 3.34Å; T30-D32 PolarHBondContact O-N 3.23Å; D32-Y35 PolarHBondContact O-N 3.48Å; D32-Q36 WeakPolarHBondContact O-CG 3.36Å; D32-Q36 PolarHBondContact O-N 3.29Å |
| 33 | I | 92.4 | Very high | 90.9 | Very high | 87 Ų | 87 | 73.6 Ų | 73.6 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 175.3 | -68.8 | 165.4 | 0 | 0 | 0 | 110.6 | R29 T30 Y35 Q36 M37 | R29-I33 HydrophobicContact CG-CD1 3.93Å; R29-I33 VanDerWaalsContact O-CG1 3.25Å; R29-I33 WeakPolarHBondContact O-CG1 3.23Å; R29-I33 PolarHBondContact O-N 3.4Å; T30-I33 PolarHBondContact O-N 2.93Å; I33-Y35 VanDerWaalsContact C-N 3.26Å; I33-Y35 PolarHBondContact O-N 3.49Å; I33-Q36 PolarHBondContact O-N 3.14Å; I33-M37 HydrophobicContact CG2-SD 4.17Å; I33-M37 WeakPolarHBondContact O-CG 3.44Å; I33-M37 PolarHBondContact O-N 3.17Å |
| 34 | L | 92.2 | Very high | 91.2 | Very high | 28 Ų | 28 | 75.9 Ų | 75.9 | 15% | 0.147 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 178.9 | -70.2 | 173.9 | 0 | 0 | 0 | 111.8 | V8 W11 F24 T30 M37 A38 | V8-L34 HydrophobicContact CB-CB 4.42Å; V8-L34 HydrophobicContact CG1-CB 3.63Å; V8-L34 HydrophobicContact CG1-CD1 3.84Å; V8-L34 HydrophobicContact CG1-CG 4.35Å; V8-L34 HydrophobicContact CG2-CB 3.82Å; W11-L34 HydrophobicContact CZ3-CD2 4.33Å; F24-L34 HydrophobicContact CD2-CD1 3.73Å; F24-L34 HydrophobicContact CE2-CD1 3.73Å; F24-L34 HydrophobicContact CG-CD1 4.25Å; F24-L34 HydrophobicContact CZ-CD1 4.26Å; T30-L34 HydrophobicContact CG2-CD1 3.92Å; T30-L34 HydrophobicContact CG2-CG 4.38Å; T30-L34 WeakPolarHBondContact O-CB 3.35Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.45Å; T30-L34 PolarHBondContact O-N 3.42Å; L34-M37 PolarHBondContact O-N 3.18Å; L34-A38 WeakPolarHBondContact O-CB 3.49Å; L34-A38 PolarHBondContact O-N 3.16Å |
| 35 | Y | 92.9 | Very high | 91.4 | Very high | 45 Ų | 45 | 76.6 Ų | 76.6 | 18% | 0.176 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.9 | -179.2 | -96.9 | 0 | 0 | 0 | 111.9 | K4 K7 V8 V31 D32 I33 M37 A38 Q39 | K4-Y35 HydrophobicContact CB-CD2 3.76Å; K4-Y35 HydrophobicContact CB-CE2 4.2Å; K4-Y35 HydrophobicContact CB-CG 4.14Å; K4-Y35 HydrophobicContact CD-CD1 4.25Å; K4-Y35 HydrophobicContact CD-CG 4.22Å; K4-Y35 HydrophobicContact CG-CD1 4.29Å; K4-Y35 HydrophobicContact CG-CD2 3.78Å; K4-Y35 HydrophobicContact CG-CE1 4.38Å; K4-Y35 HydrophobicContact CG-CE2 3.87Å; K4-Y35 HydrophobicContact CG-CG 4Å; K7-Y35 HydrophobicContact CB-CD2 4.32Å; K7-Y35 HydrophobicContact CB-CE2 4.13Å; K7-Y35 HydrophobicContact CD-CE2 3.84Å; K7-Y35 HydrophobicContact CG-CD2 4.49Å; K7-Y35 HydrophobicContact CG-CE2 4.21Å; V8-Y35 HydrophobicContact CG2-CD2 4.46Å; V31-Y35 WeakPolarHBondContact O-CB 3.4Å; V31-Y35 PolarHBondContact O-N 2.72Å; D32-Y35 PolarHBondContact O-N 3.48Å; I33-Y35 VanDerWaalsContact C-N 3.26Å; I33-Y35 PolarHBondContact O-N 3.49Å; Y35-M37 VanDerWaalsContact C-N 3.34Å; Y35-A38 PolarHBondContact O-N 2.89Å; Y35-Q39 HydrophobicContact CD1-CG 4.38Å; Y35-Q39 HydrophobicContact CE1-CG 3.99Å; Y35-Q39 WeakPolarHBondContact O-CG 3.4Å; Y35-Q39 PolarHBondContact O-N 3.04Å; Y35-Q39 PolarHBondContact OH-NE2 2.88Å |
| 36 | Q | 94.1 | Very high | 91.5 | Very high | 104 Ų | 104 | 73.2 Ų | 73.2 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 173.2 | -70.5 | -59.5 | -42.5 | 0 | 0 | 111.8 | D32 I33 Q39 S40 | D32-Q36 WeakPolarHBondContact O-CG 3.36Å; D32-Q36 PolarHBondContact O-N 3.29Å; I33-Q36 PolarHBondContact O-N 3.14Å; Q36-Q39 PolarHBondContact O-N 2.97Å; Q36-S40 WeakPolarHBondContact O-CB 3.33Å; Q36-S40 PolarHBondContact O-N 2.96Å; Q36-S40 PolarHBondContact O-OG 3.06Å |
| 37 | M | 92.3 | Very high | 91.9 | Very high | 102 Ų | 102 | 73.6 Ų | 73.6 | 50% | 0.502 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 174.8 | -68.8 | 177.9 | 91.2 | 0 | 0 | 111.7 | W11 I33 L34 Y35 S40 S41 | W11-M37 HydrophobicContact CH2-CB 3.79Å; W11-M37 HydrophobicContact CZ2-CB 4.35Å; W11-M37 HydrophobicContact CZ3-CB 4.3Å; I33-M37 HydrophobicContact CG2-SD 4.17Å; I33-M37 WeakPolarHBondContact O-CG 3.44Å; I33-M37 PolarHBondContact O-N 3.17Å; L34-M37 PolarHBondContact O-N 3.18Å; Y35-M37 VanDerWaalsContact C-N 3.34Å; M37-S40 PolarHBondContact O-N 3.38Å; M37-S41 WeakPolarHBondContact O-CB 3.4Å; M37-S41 PolarHBondContact O-N 3.23Å |
| 38 | A | 93 | Very high | 92.1 | Very high | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | W11 L34 Y35 S40 S41 E42 | W11-A38 HydrophobicContact CB-CB 3.78Å; W11-A38 HydrophobicContact CD2-CB 3.48Å; W11-A38 VanDerWaalsContact CD2-CB 3.48Å; W11-A38 HydrophobicContact CE3-CB 3.71Å; W11-A38 HydrophobicContact CG-CB 3.5Å; W11-A38 HydrophobicContact CZ3-CB 4.48Å; L34-A38 WeakPolarHBondContact O-CB 3.49Å; L34-A38 PolarHBondContact O-N 3.16Å; Y35-A38 PolarHBondContact O-N 2.89Å; A38-S40 PolarHBondContact O-N 2.81Å; A38-S41 PolarHBondContact O-N 3Å; A38-E42 VanDerWaalsContact O-CB 3.3Å; A38-E42 WeakPolarHBondContact O-CB 3.36Å; A38-E42 PolarHBondContact O-N 3.33Å |
| 39 | Q | 93.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 74 Ų | 74 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.7 | -72.2 | -174.9 | -42.8 | 0 | 0 | 112 | Y35 Q36 S41 E42 A43 | Y35-Q39 HydrophobicContact CD1-CG 4.38Å; Y35-Q39 HydrophobicContact CE1-CG 3.99Å; Y35-Q39 WeakPolarHBondContact O-CG 3.4Å; Y35-Q39 PolarHBondContact O-N 3.04Å; Y35-Q39 PolarHBondContact OH-NE2 2.88Å; Q36-Q39 PolarHBondContact O-N 2.97Å; Q39-S41 VanDerWaalsContact C-N 3.34Å; Q39-S41 PolarHBondContact O-N 3.23Å; Q39-E42 PolarHBondContact O-N 3.48Å; Q39-A43 WeakPolarHBondContact O-CB 3.46Å; Q39-A43 PolarHBondContact O-N 2.93Å |
| 40 | S | 92.6 | Very high | 92.8 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 46% | 0.462 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 112 | Q36 M37 A38 R44 | Q36-S40 WeakPolarHBondContact O-CB 3.33Å; Q36-S40 PolarHBondContact O-N 2.96Å; Q36-S40 PolarHBondContact O-OG 3.06Å; M37-S40 PolarHBondContact O-N 3.38Å; A38-S40 PolarHBondContact O-N 2.81Å; S40-R44 WeakPolarHBondContact O-CB 3.46Å; S40-R44 VanDerWaalsContact O-CG 3.24Å; S40-R44 WeakPolarHBondContact O-CG 3.37Å; S40-R44 PolarHBondContact O-N 3.38Å; S40-R44 VanDerWaalsContact O-N 3.08Å |
| 41 | S | 92.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 73 Ų | 73 | 25% | 0.252 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.3 | -48 | 176.6 | -178 | 0 | 0 | 0 | 0 | 111 | W11 M37 A38 Q39 R44 C45 | W11-S41 VanDerWaalsContact NE1-CB 3.3Å; W11-S41 PolarHBondContact NE1-OG 2.87Å; M37-S41 WeakPolarHBondContact O-CB 3.4Å; M37-S41 PolarHBondContact O-N 3.23Å; A38-S41 PolarHBondContact O-N 3Å; Q39-S41 VanDerWaalsContact C-N 3.34Å; Q39-S41 PolarHBondContact O-N 3.23Å; S41-R44 PolarHBondContact O-N 3.36Å; S41-C45 WeakPolarHBondContact O-CB 3.46Å; S41-C45 PolarHBondContact O-N 3.43Å; S41-C45 PolarHBondContact O-SG 3.08Å |
| 42 | E | 91.7 | Very high | 93.3 | Very high | 106 Ų | 106 | 76.9 Ų | 76.9 | 50% | 0.495 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 179.8 | -175.4 | 178.3 | -159.9 | 0 | 0 | 111.3 | K7 A38 Q39 C45 S46 | K7-E42 WeakPolarHBondContact CE-OE2 3.35Å; K7-E42 IonicContact NZ-OE1 3.88Å; K7-E42 IonicContact NZ-OE2 3.22Å; K7-E42 PolarHBondContact NZ-OE2 3.44Å; A38-E42 VanDerWaalsContact O-CB 3.3Å; A38-E42 WeakPolarHBondContact O-CB 3.36Å; A38-E42 PolarHBondContact O-N 3.33Å; Q39-E42 PolarHBondContact O-N 3.48Å; E42-C45 PolarHBondContact O-N 2.9Å; E42-S46 WeakPolarHBondContact O-CB 3.47Å; E42-S46 PolarHBondContact O-N 2.92Å |
| 43 | A | 92.7 | Very high | 93.6 | Very high | 51 Ų | 51 | 79 Ų | 79 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q39 C45 S46 D47 | Q39-A43 WeakPolarHBondContact O-CB 3.46Å; Q39-A43 PolarHBondContact O-N 2.93Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 2.9Å; A43-S46 WeakPolarHBondContact O-CB 3.24Å; A43-S46 PolarHBondContact O-N 2.98Å; A43-D47 VanDerWaalsContact O-CG 3.28Å; A43-D47 PolarHBondContact O-N 3.12Å |
| 44 | R | 91.9 | Very high | 93.8 | Very high | 185 Ų | 185 | 77.7 Ų | 77.7 | 70% | 0.698 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.2 | -40.4 | 177.6 | -74.6 | 173.8 | 58.7 | -177 | -3.3 | 113 | S40 S41 D47 T48 | S40-R44 WeakPolarHBondContact O-CB 3.46Å; S40-R44 VanDerWaalsContact O-CG 3.24Å; S40-R44 WeakPolarHBondContact O-CG 3.37Å; S40-R44 PolarHBondContact O-N 3.38Å; S40-R44 VanDerWaalsContact O-N 3.08Å; S41-R44 PolarHBondContact O-N 3.36Å; R44-D47 PolarHBondContact O-N 2.78Å; R44-T48 WeakPolarHBondContact O-CB 3.42Å; R44-T48 PolarHBondContact O-N 3.22Å; R44-T48 PolarHBondContact O-OG1 3.25Å |
| 45 | C | 91.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 83 Ų | 83 | 52% | 0.52 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 176.7 | -73.4 | 0 | 0 | 0 | 0 | 111.1 | S41 E42 A43 T48 A49 | S41-C45 WeakPolarHBondContact O-CB 3.46Å; S41-C45 PolarHBondContact O-N 3.43Å; S41-C45 PolarHBondContact O-SG 3.08Å; E42-C45 PolarHBondContact O-N 2.9Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 2.9Å; C45-T48 PolarHBondContact O-N 3.02Å; C45-A49 WeakPolarHBondContact O-CB 3.36Å; C45-A49 PolarHBondContact O-N 3.38Å |
| 46 | S | 93.2 | Very high | 94.1 | Very high | 64 Ų | 64 | 86.6 Ų | 86.6 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | E42 A43 T48 A49 L50 | E42-S46 WeakPolarHBondContact O-CB 3.47Å; E42-S46 PolarHBondContact O-N 2.92Å; A43-S46 WeakPolarHBondContact O-CB 3.24Å; A43-S46 PolarHBondContact O-N 2.98Å; S46-T48 VanDerWaalsContact C-N 3.3Å; S46-T48 PolarHBondContact O-N 3.5Å; S46-A49 PolarHBondContact O-N 3.01Å; S46-A49 VanDerWaalsContact O-N 3.16Å; S46-L50 WeakPolarHBondContact O-CG 3.14Å; S46-L50 PolarHBondContact O-N 3.07Å |
| 47 | D | 94.5 | Very high | 94.2 | Very high | 102 Ų | 102 | 86.6 Ų | 86.6 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 178.4 | -66.7 | -18.1 | 0 | 0 | 0 | 111.4 | A43 R44 L50 L51 | A43-D47 VanDerWaalsContact O-CG 3.28Å; A43-D47 PolarHBondContact O-N 3.12Å; R44-D47 PolarHBondContact O-N 2.78Å; D47-L50 PolarHBondContact O-N 3.23Å; D47-L51 WeakPolarHBondContact O-CB 3.34Å; D47-L51 PolarHBondContact O-N 3.45Å |
| 48 | T | 94.3 | Very high | 94.3 | Very high | 79 Ų | 79 | 85.7 Ų | 85.7 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.2 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | R44 C45 S46 L51 I52 | R44-T48 WeakPolarHBondContact O-CB 3.42Å; R44-T48 PolarHBondContact O-N 3.22Å; R44-T48 PolarHBondContact O-OG1 3.25Å; C45-T48 PolarHBondContact O-N 3.02Å; S46-T48 VanDerWaalsContact C-N 3.3Å; S46-T48 PolarHBondContact O-N 3.5Å; T48-L51 PolarHBondContact O-N 2.96Å; T48-I52 HydrophobicContact CG2-CD1 4.12Å; T48-I52 VanDerWaalsContact O-CG1 3.28Å; T48-I52 WeakPolarHBondContact O-CG1 3.26Å; T48-I52 PolarHBondContact O-N 3.44Å |
| 49 | A | 95 | Very high | 94.4 | Very high | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C45 S46 L51 I52 E53 | C45-A49 WeakPolarHBondContact O-CB 3.36Å; C45-A49 PolarHBondContact O-N 3.38Å; S46-A49 PolarHBondContact O-N 3.01Å; S46-A49 VanDerWaalsContact O-N 3.16Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-I52 PolarHBondContact O-N 3.25Å; A49-E53 PolarHBondContact O-N 2.7Å |
| 50 | L | 96.3 | Very high | 94.5 | Very high | 115 Ų | 115 | 88.7 Ų | 88.7 | 60% | 0.602 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 174.5 | -72 | 174.2 | 0 | 0 | 0 | 111.7 | S46 D47 I52 E53 D54 | S46-L50 WeakPolarHBondContact O-CG 3.14Å; S46-L50 PolarHBondContact O-N 3.07Å; D47-L50 PolarHBondContact O-N 3.23Å; L50-I52 PolarHBondContact O-N 3.46Å; L50-E53 PolarHBondContact O-N 2.93Å; L50-D54 WeakPolarHBondContact O-CB 3.36Å; L50-D54 PolarHBondContact O-N 2.93Å |
| 51 | L | 96.5 | Very high | 94.6 | Very high | 89 Ų | 89 | 90 Ų | 90 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.6 | -175.3 | 65.9 | 0 | 0 | 0 | 111.7 | D47 T48 A49 E53 D54 Y55 | D47-L51 WeakPolarHBondContact O-CB 3.34Å; D47-L51 PolarHBondContact O-N 3.45Å; T48-L51 PolarHBondContact O-N 2.96Å; A49-L51 VanDerWaalsContact C-N 3.34Å; L51-E53 VanDerWaalsContact C-N 3.32Å; L51-E53 PolarHBondContact O-N 2.98Å; L51-D54 PolarHBondContact O-N 2.82Å; L51-Y55 HydrophobicContact CD1-CD2 4.02Å; L51-Y55 HydrophobicContact CD1-CE2 3.52Å; L51-Y55 HydrophobicContact CD2-CE2 4.04Å; L51-Y55 HydrophobicContact CG-CD2 3.82Å; L51-Y55 HydrophobicContact CG-CE2 3.54Å; L51-Y55 WeakPolarHBondContact O-CD2 3.47Å; L51-Y55 PolarHBondContact O-N 2.64Å |
| 52 | I | 96 | Very high | 94.6 | Very high | 87 Ų | 87 | 95.8 Ų | 95.8 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 175.6 | -71.1 | 164.9 | 0 | 0 | 0 | 110.6 | T48 A49 L50 Y55 K56 | T48-I52 HydrophobicContact CG2-CD1 4.12Å; T48-I52 VanDerWaalsContact O-CG1 3.28Å; T48-I52 WeakPolarHBondContact O-CG1 3.26Å; T48-I52 PolarHBondContact O-N 3.44Å; A49-I52 PolarHBondContact O-N 3.25Å; L50-I52 PolarHBondContact O-N 3.46Å; I52-Y55 PolarHBondContact O-N 3.44Å; I52-K56 HydrophobicContact CG2-CD 4.37Å; I52-K56 WeakPolarHBondContact O-CG 3.42Å; I52-K56 PolarHBondContact O-N 2.89Å |
| 53 | E | 96.8 | Very high | 94.8 | Very high | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | -179.4 | -163.2 | 57.6 | -153.9 | 0 | 0 | 112 | A49 L50 L51 Y55 K56 Q57 | A49-E53 PolarHBondContact O-N 2.7Å; L50-E53 PolarHBondContact O-N 2.93Å; L51-E53 VanDerWaalsContact C-N 3.32Å; L51-E53 PolarHBondContact O-N 2.98Å; E53-Y55 VanDerWaalsContact C-N 3.34Å; E53-Y55 PolarHBondContact O-N 2.92Å; E53-K56 PolarHBondContact O-N 3.07Å; E53-K56 IonicContact OE2-NZ 2.79Å; E53-Q57 PolarHBondContact O-N 3.42Å |
| 54 | D | 96.8 | Very high | 94.9 | Very high | 60 Ų | 60 | 97.4 Ų | 97.4 | 32% | 0.321 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 172.3 | 174.7 | 70 | 0 | 0 | 0 | 111.8 | L50 L51 K56 Q57 K58 | L50-D54 WeakPolarHBondContact O-CB 3.36Å; L50-D54 PolarHBondContact O-N 2.93Å; L51-D54 PolarHBondContact O-N 2.82Å; D54-K56 PolarHBondContact O-N 3.01Å; D54-Q57 PolarHBondContact O-N 2.92Å; D54-K58 WeakPolarHBondContact O-CB 3.47Å; D54-K58 WeakPolarHBondContact O-CG 3.31Å; D54-K58 PolarHBondContact O-N 3.44Å; D54-K58 VanDerWaalsContact OD1-CE 3.26Å; D54-K58 WeakPolarHBondContact OD1-CE 3.46Å; D54-K58 IonicContact OD1-NZ 2.93Å; D54-K58 PolarHBondContact OD1-NZ 2.82Å; D54-K58 WeakPolarHBondContact OD2-CE 3.33Å; D54-K58 IonicContact OD2-NZ 2.89Å; D54-K58 PolarHBondContact OD2-NZ 3.45Å |
| 55 | Y | 94.4 | Very high | 94.9 | Very high | 139 Ų | 139 | 92.5 Ų | 92.5 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 176 | -83.4 | -62.3 | 0 | 0 | 0 | 113.1 | L51 I52 E53 T59 | L51-Y55 HydrophobicContact CD1-CD2 4.02Å; L51-Y55 HydrophobicContact CD1-CE2 3.52Å; L51-Y55 HydrophobicContact CD2-CE2 4.04Å; L51-Y55 HydrophobicContact CG-CD2 3.82Å; L51-Y55 HydrophobicContact CG-CE2 3.54Å; L51-Y55 WeakPolarHBondContact O-CD2 3.47Å; L51-Y55 PolarHBondContact O-N 2.64Å; I52-Y55 PolarHBondContact O-N 3.44Å; E53-Y55 VanDerWaalsContact C-N 3.34Å; E53-Y55 PolarHBondContact O-N 2.92Å; Y55-T59 WeakPolarHBondContact O-CB 3.4Å; Y55-T59 PolarHBondContact O-N 3.13Å; Y55-T59 PolarHBondContact O-OG1 2.91Å |
| 56 | K | 96.6 | Very high | 94.9 | Very high | 122 Ų | 122 | 91.5 Ų | 91.5 | 53% | 0.53 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 175.4 | -74.9 | 174.9 | -177.4 | 171.8 | 0 | 111.1 | I52 E53 D54 T59 S60 | I52-K56 HydrophobicContact CG2-CD 4.37Å; I52-K56 WeakPolarHBondContact O-CG 3.42Å; I52-K56 PolarHBondContact O-N 2.89Å; E53-K56 PolarHBondContact O-N 3.07Å; E53-K56 IonicContact OE2-NZ 2.79Å; D54-K56 PolarHBondContact O-N 3.01Å; K56-T59 PolarHBondContact O-N 3.37Å; K56-S60 PolarHBondContact O-N 2.94Å |
| 57 | Q | 96.9 | Very high | 94.8 | Very high | 104 Ų | 104 | 91.1 Ų | 91.1 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -53.5 | 176.8 | -178.3 | 179.7 | -15.6 | 0 | 0 | 110.6 | E53 D54 T59 S60 E61 | E53-Q57 PolarHBondContact O-N 3.42Å; D54-Q57 PolarHBondContact O-N 2.92Å; Q57-T59 VanDerWaalsContact C-N 3.27Å; Q57-T59 PolarHBondContact O-N 3.44Å; Q57-S60 PolarHBondContact O-N 2.93Å; Q57-S60 PolarHBondContact O-OG 3.27Å; Q57-E61 HydrophobicContact CG-CG 4.47Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.43Å; Q57-E61 PolarHBondContact NE2-OE1 2.92Å; Q57-E61 WeakPolarHBondContact O-CG 3.32Å; Q57-E61 PolarHBondContact O-N 3.42Å |
| 58 | K | 94.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 91.4 Ų | 91.4 | 36% | 0.357 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.6 | -40.6 | 177.3 | -76.2 | 172.1 | 179.4 | 162.3 | 0 | 112.8 | D54 S60 E61 Y62 | D54-K58 WeakPolarHBondContact O-CB 3.47Å; D54-K58 WeakPolarHBondContact O-CG 3.31Å; D54-K58 PolarHBondContact O-N 3.44Å; D54-K58 VanDerWaalsContact OD1-CE 3.26Å; D54-K58 WeakPolarHBondContact OD1-CE 3.46Å; D54-K58 IonicContact OD1-NZ 2.93Å; D54-K58 PolarHBondContact OD1-NZ 2.82Å; D54-K58 WeakPolarHBondContact OD2-CE 3.33Å; D54-K58 IonicContact OD2-NZ 2.89Å; D54-K58 PolarHBondContact OD2-NZ 3.45Å; K58-S60 VanDerWaalsContact C-N 3.33Å; K58-S60 PolarHBondContact O-N 3.43Å; K58-E61 PolarHBondContact O-N 2.9Å; K58-Y62 HydrophobicContact CB-CD2 4.39Å; K58-Y62 HydrophobicContact CB-CE2 4.22Å; K58-Y62 WeakPolarHBondContact O-CB 3.44Å; K58-Y62 WeakPolarHBondContact O-CD2 3.48Å; K58-Y62 PolarHBondContact O-N 2.84Å |
| 59 | T | 94.3 | Very high | 94.6 | Very high | 72 Ų | 72 | 93.6 Ų | 93.6 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | Y55 K56 Q57 Q63 | Y55-T59 WeakPolarHBondContact O-CB 3.4Å; Y55-T59 PolarHBondContact O-N 3.13Å; Y55-T59 PolarHBondContact O-OG1 2.91Å; K56-T59 PolarHBondContact O-N 3.37Å; Q57-T59 VanDerWaalsContact C-N 3.27Å; Q57-T59 PolarHBondContact O-N 3.44Å; T59-Q63 WeakPolarHBondContact O-CB 3.43Å; T59-Q63 VanDerWaalsContact O-CG 3.25Å; T59-Q63 WeakPolarHBondContact O-CG 3.47Å; T59-Q63 PolarHBondContact O-N 3.18Å |
| 60 | S | 95.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 97 Ų | 97 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 177.4 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | K56 Q57 K58 Q63 A64 | K56-S60 PolarHBondContact O-N 2.94Å; Q57-S60 PolarHBondContact O-N 2.93Å; Q57-S60 PolarHBondContact O-OG 3.27Å; K58-S60 VanDerWaalsContact C-N 3.33Å; K58-S60 PolarHBondContact O-N 3.43Å; S60-Q63 PolarHBondContact O-N 3.03Å; S60-A64 WeakPolarHBondContact O-CB 3.49Å; S60-A64 PolarHBondContact O-N 2.89Å |
| 61 | E | 95.6 | Very high | 94.1 | Very high | 93 Ų | 93 | 95 Ų | 95 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -49.1 | 175.7 | -70.8 | 173.3 | -176.8 | 0 | 0 | 110.7 | Q57 K58 Q63 A64 D65 | Q57-E61 HydrophobicContact CG-CG 4.47Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.43Å; Q57-E61 PolarHBondContact NE2-OE1 2.92Å; Q57-E61 WeakPolarHBondContact O-CG 3.32Å; Q57-E61 PolarHBondContact O-N 3.42Å; K58-E61 PolarHBondContact O-N 2.9Å; E61-Q63 VanDerWaalsContact C-N 3.32Å; E61-Q63 PolarHBondContact O-N 3.3Å; E61-A64 PolarHBondContact O-N 3.47Å; E61-A64 VanDerWaalsContact O-N 3.16Å; E61-D65 PolarHBondContact O-N 3.3Å |
| 62 | Y | 92.4 | Very high | 93.8 | Very high | 157 Ų | 157 | 94.1 Ų | 94.1 | 62% | 0.616 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.5 | -34.9 | 177.6 | -73 | -50.2 | 0 | 0 | 0 | 113.3 | K58 A66 | K58-Y62 HydrophobicContact CB-CD2 4.39Å; K58-Y62 HydrophobicContact CB-CE2 4.22Å; K58-Y62 WeakPolarHBondContact O-CB 3.44Å; K58-Y62 WeakPolarHBondContact O-CD2 3.48Å; K58-Y62 PolarHBondContact O-N 2.84Å; Y62-A66 VanDerWaalsContact O-CB 3.26Å; Y62-A66 WeakPolarHBondContact O-CB 3.45Å; Y62-A66 PolarHBondContact O-N 3.45Å |
| 63 | Q | 94.2 | Very high | 93.5 | Very high | 131 Ų | 131 | 94.1 Ų | 94.1 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 174 | -76.9 | 173.7 | -3.6 | 0 | 0 | 111.9 | T59 S60 E61 A66 A67 | T59-Q63 WeakPolarHBondContact O-CB 3.43Å; T59-Q63 VanDerWaalsContact O-CG 3.25Å; T59-Q63 WeakPolarHBondContact O-CG 3.47Å; T59-Q63 PolarHBondContact O-N 3.18Å; S60-Q63 PolarHBondContact O-N 3.03Å; E61-Q63 VanDerWaalsContact C-N 3.32Å; E61-Q63 PolarHBondContact O-N 3.3Å; Q63-A66 PolarHBondContact O-N 3.27Å; Q63-A67 PolarHBondContact O-N 3.11Å |
| 64 | A | 94.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 93.2 Ų | 93.2 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S60 E61 A67 H68 | S60-A64 WeakPolarHBondContact O-CB 3.49Å; S60-A64 PolarHBondContact O-N 2.89Å; E61-A64 PolarHBondContact O-N 3.47Å; E61-A64 VanDerWaalsContact O-N 3.16Å; A64-A67 PolarHBondContact O-N 3.17Å; A64-H68 WeakPolarHBondContact O-CB 3.43Å; A64-H68 PolarHBondContact O-N 3.45Å |
| 65 | D | 92.9 | Very high | 92.8 | Very high | 81 Ų | 81 | 97.4 Ų | 97.4 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 174.9 | -77.8 | -8.3 | 0 | 0 | 0 | 111.4 | E61 A67 H68 F69 | E61-D65 PolarHBondContact O-N 3.3Å; D65-A67 PolarHBondContact O-N 3.22Å; D65-H68 WeakPolarHBondContact O-CB 3.4Å; D65-H68 PolarHBondContact O-N 3.37Å; D65-F69 HydrophobicContact CB-CD2 4.44Å; D65-F69 HydrophobicContact CB-CE2 4.11Å; D65-F69 WeakPolarHBondContact O-CD2 3.28Å; D65-F69 WeakPolarHBondContact O-CG 3.43Å; D65-F69 PolarHBondContact O-N 3.34Å |
| 66 | A | 90.2 | Very high | 92.4 | Very high | 57 Ų | 57 | 93.9 Ų | 93.9 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y62 Q63 H68 F69 E70 | Y62-A66 VanDerWaalsContact O-CB 3.26Å; Y62-A66 WeakPolarHBondContact O-CB 3.45Å; Y62-A66 PolarHBondContact O-N 3.45Å; Q63-A66 PolarHBondContact O-N 3.27Å; A66-H68 VanDerWaalsContact C-N 3.33Å; A66-H68 PolarHBondContact O-N 3.21Å; A66-F69 PolarHBondContact O-N 2.87Å; A66-E70 WeakPolarHBondContact O-CB 3.49Å; A66-E70 PolarHBondContact O-N 3.01Å |
| 67 | A | 92.9 | Very high | 91.8 | Very high | 55 Ų | 55 | 93 Ų | 93 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q63 A64 D65 E70 D71 | Q63-A67 PolarHBondContact O-N 3.11Å; A64-A67 PolarHBondContact O-N 3.17Å; D65-A67 PolarHBondContact O-N 3.22Å; A67-E70 PolarHBondContact O-N 3.24Å; A67-D71 PolarHBondContact O-N 2.94Å; A67-D71 VanDerWaalsContact O-N 3.09Å |
| 68 | H | 93.3 | Very high | 91.2 | Very high | 109 Ų | 109 | 90.3 Ų | 90.3 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.1 | 176.6 | 56.2 | 0 | 0 | 0 | 111.9 | A64 D65 A66 E70 D71 V72 | A64-H68 WeakPolarHBondContact O-CB 3.43Å; A64-H68 PolarHBondContact O-N 3.45Å; D65-H68 WeakPolarHBondContact O-CB 3.4Å; D65-H68 PolarHBondContact O-N 3.37Å; A66-H68 VanDerWaalsContact C-N 3.33Å; A66-H68 PolarHBondContact O-N 3.21Å; H68-E70 PolarHBondContact O-N 3.43Å; H68-D71 PolarHBondContact O-N 2.82Å; H68-V72 VanDerWaalsContact O-CG2 3.3Å; H68-V72 WeakPolarHBondContact O-CG2 3.4Å; H68-V72 PolarHBondContact O-N 2.97Å |
| 69 | F | 89.4 | Confident | 90.7 | Very high | 125 Ų | 125 | 90.5 Ų | 90.5 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 178 | -69.6 | -53.2 | 0 | 0 | 0 | 112.7 | D65 A66 V72 L73 | D65-F69 HydrophobicContact CB-CD2 4.44Å; D65-F69 HydrophobicContact CB-CE2 4.11Å; D65-F69 WeakPolarHBondContact O-CD2 3.28Å; D65-F69 WeakPolarHBondContact O-CG 3.43Å; D65-F69 PolarHBondContact O-N 3.34Å; A66-F69 PolarHBondContact O-N 2.87Å; F69-V72 PolarHBondContact O-N 2.94Å; F69-L73 WeakPolarHBondContact O-CB 3.44Å; F69-L73 VanDerWaalsContact O-CG 3.26Å; F69-L73 WeakPolarHBondContact O-CG 3.46Å; F69-L73 PolarHBondContact O-N 3.38Å |
| 70 | E | 89.6 | Confident | 90.2 | Very high | 128 Ų | 128 | 89.2 Ų | 89.2 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -46.5 | 174.9 | -174.3 | 175.6 | -171.3 | 0 | 0 | 111.4 | A66 A67 H68 L73 L74 | A66-E70 WeakPolarHBondContact O-CB 3.49Å; A66-E70 PolarHBondContact O-N 3.01Å; A67-E70 PolarHBondContact O-N 3.24Å; H68-E70 PolarHBondContact O-N 3.43Å; E70-L73 PolarHBondContact O-N 3.48Å; E70-L74 WeakPolarHBondContact O-CB 3.41Å; E70-L74 PolarHBondContact O-N 3.03Å |
| 71 | D | 91.2 | Very high | 89.3 | Confident | 71 Ų | 71 | 89.2 Ų | 89.2 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.1 | -174.5 | 54.1 | 0 | 0 | 0 | 111.9 | A67 H68 L73 L74 Q75 | A67-D71 PolarHBondContact O-N 2.94Å; A67-D71 VanDerWaalsContact O-N 3.09Å; H68-D71 PolarHBondContact O-N 2.82Å; D71-L73 PolarHBondContact O-N 3.27Å; D71-L74 PolarHBondContact O-N 2.93Å; D71-Q75 WeakPolarHBondContact O-CB 3.49Å; D71-Q75 WeakPolarHBondContact O-CG 3.39Å; D71-Q75 PolarHBondContact O-N 3.46Å; D71-Q75 PolarHBondContact OD1-NE2 3.47Å; D71-Q75 PolarHBondContact OD2-NE2 2.95Å |
| 72 | V | 92 | Very high | 88.6 | Confident | 71 Ų | 71 | 89.4 Ų | 89.4 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | H68 F69 G76 | H68-V72 VanDerWaalsContact O-CG2 3.3Å; H68-V72 WeakPolarHBondContact O-CG2 3.4Å; H68-V72 PolarHBondContact O-N 2.97Å; F69-V72 PolarHBondContact O-N 2.94Å; V72-G76 WeakPolarHBondContact O-CA 3.21Å; V72-G76 PolarHBondContact O-N 3.2Å |
| 73 | L | 89.1 | Confident | 88.1 | Confident | 88 Ų | 88 | 85.3 Ų | 85.3 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 178.2 | -74.3 | 170.9 | 0 | 0 | 0 | 111.9 | F69 E70 D71 V77 G78 L79 | F69-L73 WeakPolarHBondContact O-CB 3.44Å; F69-L73 VanDerWaalsContact O-CG 3.26Å; F69-L73 WeakPolarHBondContact O-CG 3.46Å; F69-L73 PolarHBondContact O-N 3.38Å; E70-L73 PolarHBondContact O-N 3.48Å; D71-L73 PolarHBondContact O-N 3.27Å; L73-V77 PolarHBondContact O-N 2.68Å; L73-V77 VanDerWaalsContact O-N 3.08Å; L73-G78 PolarHBondContact O-N 2.73Å; L73-L79 PolarHBondContact O-N 3.07Å |
| 74 | L | 89.2 | Confident | 87.6 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.8 | -47.7 | 178.6 | -173.9 | 65.9 | 0 | 0 | 0 | 111.5 | E70 D71 G78 | E70-L74 WeakPolarHBondContact O-CB 3.41Å; E70-L74 PolarHBondContact O-N 3.03Å; D71-L74 PolarHBondContact O-N 2.93Å; L74-G78 WeakPolarHBondContact O-CA 3.28Å; L74-G78 PolarHBondContact O-N 3.01Å |
| 75 | Q | 89.6 | Confident | 87.4 | Confident | 147 Ų | 147 | 82.1 Ų | 82.1 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.1 | -38.4 | -178.6 | -67.8 | -175.7 | 13.7 | 0 | 0 | 112.9 | D71 | D71-Q75 WeakPolarHBondContact O-CB 3.49Å; D71-Q75 WeakPolarHBondContact O-CG 3.39Å; D71-Q75 PolarHBondContact O-N 3.46Å; D71-Q75 PolarHBondContact OD1-NE2 3.47Å; D71-Q75 PolarHBondContact OD2-NE2 2.95Å |
| 76 | G | 86.1 | Confident | 87.4 | Confident | 65 Ų | 65 | 85.9 Ų | 85.9 | 67% | 0.67 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -81.4 | -42.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | V72 | V72-G76 WeakPolarHBondContact O-CA 3.21Å; V72-G76 PolarHBondContact O-N 3.2Å |
| 77 | V | 84.1 | Confident | 87.5 | Confident | 103 Ų | 103 | 86.8 Ų | 86.8 | 62% | 0.624 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -123.3 | -6.1 | -171 | -162.3 | 0 | 0 | 0 | 0 | 112.1 | L73 L79 | L73-V77 PolarHBondContact O-N 2.68Å; L73-V77 VanDerWaalsContact O-N 3.08Å; V77-L79 HydrophobicContact CB-CD1 3.99Å; V77-L79 HydrophobicContact CB-CG 3.99Å; V77-L79 HydrophobicContact CG1-CD1 3.66Å; V77-L79 HydrophobicContact CG1-CG 3.8Å; V77-L79 PolarHBondContact O-N 3.36Å |
| 78 | G | 84.3 | Confident | 87.4 | Confident | 49 Ų | 49 | 87 Ų | 87 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | trans | 69 | 18.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L73 L74 | L73-G78 PolarHBondContact O-N 2.73Å; L74-G78 WeakPolarHBondContact O-CA 3.28Å; L74-G78 PolarHBondContact O-N 3.01Å | ||
| 79 | L | 83.6 | Confident | 87.2 | Confident | 86 Ų | 86 | 83.6 Ų | 83.6 | 45% | 0.45 | 51% | 0.509 | S | S | . | . | trans | -89.5 | 128.5 | -177.9 | -68.2 | 174 | 0 | 0 | 0 | 110.2 | L73 V77 | L73-L79 PolarHBondContact O-N 3.07Å; V77-L79 HydrophobicContact CB-CD1 3.99Å; V77-L79 HydrophobicContact CB-CG 3.99Å; V77-L79 HydrophobicContact CG1-CD1 3.66Å; V77-L79 HydrophobicContact CG1-CG 3.8Å; V77-L79 PolarHBondContact O-N 3.36Å | ||
| 80 | S | 84.3 | Confident | 87.4 | Confident | 45 Ų | 45 | 82 Ų | 82 | 32% | 0.315 | 51% | 0.506 | S | S | . | . | trans | -131 | 155.6 | 172.3 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | A82 S83 | S80-A82 PolarHBondContact O-N 3.49Å; S80-A82 VanDerWaalsContact O-N 3.11Å; S80-A82 PolarHBondContact OG-N 3.33Å; S80-S83 PolarHBondContact N-OG 3.3Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 PolarHBondContact O-OG 3.46Å | ||
| 81 | G | 76.5 | Confident | 87.6 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 62% | 0.619 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -52.9 | -32.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 82 | A | 80.3 | Confident | 87.6 | Confident | 97 Ų | 97 | 85 Ų | 85 | 80% | 0.802 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -80.5 | -16.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S80 L84 | S80-A82 PolarHBondContact O-N 3.49Å; S80-A82 VanDerWaalsContact O-N 3.11Å; S80-A82 PolarHBondContact OG-N 3.33Å; A82-L84 VanDerWaalsContact C-N 3.35Å |
| 83 | S | 82.1 | Confident | 87.5 | Confident | 71 Ų | 71 | 84.7 Ų | 84.7 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -88.4 | -4.9 | 179.5 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | S80 | S80-S83 PolarHBondContact N-OG 3.3Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 PolarHBondContact O-OG 3.46Å |
| 84 | L | 84.5 | Confident | 87.8 | Confident | 64 Ų | 64 | 82.4 Ų | 82.4 | 34% | 0.335 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -77.2 | 143.1 | -180 | -69.7 | 160.6 | 0 | 0 | 0 | 111.1 | A82 T88 A89 L92 | A82-L84 VanDerWaalsContact C-N 3.35Å; L84-T88 HydrophobicContact CD2-CG2 3.75Å; L84-A89 HydrophobicContact CB-CB 4.44Å; L84-L92 HydrophobicContact CD1-CD1 3.88Å; L84-L92 HydrophobicContact CD2-CD1 4.35Å |
| 85 | S | 91.2 | Very high | 88 | Confident | 62 Ų | 62 | 81.3 Ų | 81.3 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | trans | -64.4 | 148.2 | 167.9 | 84.5 | 0 | 0 | 0 | 0 | 110 | T88 A89 | S85-T88 WeakPolarHBondContact O-CB 3.46Å; S85-T88 PolarHBondContact O-N 3.38Å; S85-T88 PolarHBondContact OG-N 2.91Å; S85-T88 PolarHBondContact OG-OG1 3.39Å; S85-A89 PolarHBondContact O-N 3.35Å | ||
| 86 | K | 91.2 | Very high | 88.1 | Confident | 159 Ų | 159 | 78 Ų | 78 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -51.1 | -47.9 | 179.5 | 178.1 | 173.9 | -177.5 | 172.5 | 0 | 113.2 | T88 A89 D90 | K86-T88 VanDerWaalsContact C-N 3.3Å; K86-T88 PolarHBondContact O-N 3Å; K86-A89 PolarHBondContact O-N 3.43Å; K86-D90 VanDerWaalsContact O-CG 3.23Å; K86-D90 PolarHBondContact O-N 2.96Å |
| 87 | P | 93.4 | Very high | 88.5 | Confident | 76 Ų | 76 | 79 Ų | 79 | 49% | 0.494 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 176.3 | -25.3 | 34.5 | 0 | 0 | 0 | 113.6 | D90 Y91 | P87-D90 PolarHBondContact O-N 2.88Å; P87-Y91 HydrophobicContact CB-CE2 4.49Å; P87-Y91 WeakPolarHBondContact O-CD2 2.99Å; P87-Y91 PolarHBondContact O-N 3.48Å |
| 88 | T | 90.2 | Very high | 88.9 | Confident | 61 Ų | 61 | 78.4 Ų | 78.4 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 178.9 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | L84 S85 K86 Y91 L92 | L84-T88 HydrophobicContact CD2-CG2 3.75Å; S85-T88 WeakPolarHBondContact O-CB 3.46Å; S85-T88 PolarHBondContact O-N 3.38Å; S85-T88 PolarHBondContact OG-N 2.91Å; S85-T88 PolarHBondContact OG-OG1 3.39Å; K86-T88 VanDerWaalsContact C-N 3.3Å; K86-T88 PolarHBondContact O-N 3Å; T88-Y91 PolarHBondContact O-N 3.28Å; T88-L92 HydrophobicContact CG2-CD1 4.28Å; T88-L92 WeakPolarHBondContact O-CG 3.28Å; T88-L92 PolarHBondContact O-N 2.96Å |
| 89 | A | 89.9 | Confident | 89.4 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 31% | 0.306 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L84 S85 K86 Y91 L92 S93 | L84-A89 HydrophobicContact CB-CB 4.44Å; S85-A89 PolarHBondContact O-N 3.35Å; K86-A89 PolarHBondContact O-N 3.43Å; A89-Y91 PolarHBondContact O-N 2.93Å; A89-L92 PolarHBondContact O-N 2.91Å; A89-S93 WeakPolarHBondContact O-CB 3.47Å; A89-S93 PolarHBondContact O-N 3.37Å |
| 90 | D | 93 | Very high | 89.8 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.4 | -66.2 | -21.2 | 0 | 0 | 0 | 111.4 | K86 P87 S93 A94 | K86-D90 VanDerWaalsContact O-CG 3.23Å; K86-D90 PolarHBondContact O-N 2.96Å; P87-D90 PolarHBondContact O-N 2.88Å; D90-S93 PolarHBondContact O-N 3.47Å; D90-A94 WeakPolarHBondContact O-CB 3.4Å; D90-A94 PolarHBondContact O-N 3.14Å |
| 91 | Y | 93.4 | Very high | 90.3 | Very high | 182 Ų | 182 | 83.4 Ų | 83.4 | 71% | 0.714 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 176.4 | -73.2 | -55.6 | 0 | 0 | 0 | 113.1 | P87 T88 A89 A94 L95 | P87-Y91 HydrophobicContact CB-CE2 4.49Å; P87-Y91 WeakPolarHBondContact O-CD2 2.99Å; P87-Y91 PolarHBondContact O-N 3.48Å; T88-Y91 PolarHBondContact O-N 3.28Å; A89-Y91 PolarHBondContact O-N 2.93Å; Y91-A94 PolarHBondContact O-N 2.94Å; Y91-L95 WeakPolarHBondContact O-CB 3.36Å; Y91-L95 PolarHBondContact O-N 2.93Å |
| 92 | L | 90.8 | Very high | 91.1 | Very high | 81 Ų | 81 | 82.5 Ų | 82.5 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 177 | -76.4 | 168.3 | 0 | 0 | 0 | 111.3 | L84 T88 A89 L95 V96 | L84-L92 HydrophobicContact CD1-CD1 3.88Å; L84-L92 HydrophobicContact CD2-CD1 4.35Å; T88-L92 HydrophobicContact CG2-CD1 4.28Å; T88-L92 WeakPolarHBondContact O-CG 3.28Å; T88-L92 PolarHBondContact O-N 2.96Å; A89-L92 PolarHBondContact O-N 2.91Å; L92-L95 PolarHBondContact O-N 3.35Å; L92-V96 WeakPolarHBondContact O-CG2 3.25Å; L92-V96 PolarHBondContact O-N 3.42Å |
| 93 | S | 91.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 81 Ų | 81 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.2 | -50.3 | 173.8 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | A89 D90 L95 V96 D97 | A89-S93 WeakPolarHBondContact O-CB 3.47Å; A89-S93 PolarHBondContact O-N 3.37Å; D90-S93 PolarHBondContact O-N 3.47Å; S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 PolarHBondContact O-N 3.42Å; S93-V96 PolarHBondContact O-N 3.02Å; S93-V96 VanDerWaalsContact O-N 3.17Å; S93-D97 WeakPolarHBondContact O-CB 3.46Å; S93-D97 PolarHBondContact O-N 3.23Å; S93-D97 VanDerWaalsContact O-OD2 3.11Å; S93-D97 PolarHBondContact OG-OD2 3.23Å |
| 94 | A | 94.6 | Very high | 92.3 | Very high | 41 Ų | 41 | 79 Ų | 79 | 34% | 0.339 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D90 Y91 D97 N98 | D90-A94 WeakPolarHBondContact O-CB 3.4Å; D90-A94 PolarHBondContact O-N 3.14Å; Y91-A94 PolarHBondContact O-N 2.94Å; A94-D97 PolarHBondContact O-N 2.87Å; A94-N98 WeakPolarHBondContact O-CB 3.25Å; A94-N98 PolarHBondContact O-N 2.89Å; A94-N98 PolarHBondContact O-ND2 3.37Å |
| 95 | L | 93.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 85.2 Ų | 85.2 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 177.7 | -175.5 | 63.9 | 0 | 0 | 0 | 111.9 | Y91 L92 S93 A99 T107 F112 | Y91-L95 WeakPolarHBondContact O-CB 3.36Å; Y91-L95 PolarHBondContact O-N 2.93Å; L92-L95 PolarHBondContact O-N 3.35Å; S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 PolarHBondContact O-N 3.42Å; L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 2.97Å; L95-T107 HydrophobicContact CD2-CG2 4.13Å; L95-T107 HydrophobicContact CG-CG2 4.05Å; L95-F112 HydrophobicContact CD1-CE2 3.66Å; L95-F112 HydrophobicContact CD1-CZ 3.63Å; L95-F112 HydrophobicContact CG-CE2 4.46Å; L95-F112 HydrophobicContact CG-CZ 4.42Å |
| 96 | V | 91.7 | Very high | 92.4 | Very high | 76 Ų | 76 | 85.6 Ų | 85.6 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L92 S93 N98 A99 M100 | L92-V96 WeakPolarHBondContact O-CG2 3.25Å; L92-V96 PolarHBondContact O-N 3.42Å; S93-V96 PolarHBondContact O-N 3.02Å; S93-V96 VanDerWaalsContact O-N 3.17Å; V96-N98 VanDerWaalsContact C-N 3.34Å; V96-N98 PolarHBondContact O-N 3.48Å; V96-A99 WeakPolarHBondContact O-CB 3.33Å; V96-A99 PolarHBondContact O-N 2.98Å; V96-A99 VanDerWaalsContact O-N 3.1Å; V96-M100 HydrophobicContact CG1-CG 4.35Å; V96-M100 VanDerWaalsContact O-CG 3.3Å; V96-M100 WeakPolarHBondContact O-CG 3.43Å; V96-M100 PolarHBondContact O-N 3.05Å |
| 97 | D | 94.1 | Very high | 92.3 | Very high | 88 Ų | 88 | 81.9 Ų | 81.9 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 178.5 | -66.9 | -31.5 | 0 | 0 | 0 | 110.9 | S93 A94 A99 M100 V101 | S93-D97 WeakPolarHBondContact O-CB 3.46Å; S93-D97 PolarHBondContact O-N 3.23Å; S93-D97 VanDerWaalsContact O-OD2 3.11Å; S93-D97 PolarHBondContact OG-OD2 3.23Å; A94-D97 PolarHBondContact O-N 2.87Å; D97-A99 VanDerWaalsContact C-N 3.33Å; D97-A99 PolarHBondContact O-N 3.33Å; D97-M100 PolarHBondContact O-N 3.39Å; D97-V101 VanDerWaalsContact O-CG2 3.29Å; D97-V101 WeakPolarHBondContact O-CG2 3.45Å; D97-V101 PolarHBondContact O-N 3.34Å |
| 98 | N | 93.5 | Very high | 92.3 | Very high | 89 Ų | 89 | 80.2 Ų | 80.2 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 174.5 | -79.9 | -78.8 | 0 | 0 | 0 | 111.9 | A94 V96 V101 L102 F112 | A94-N98 WeakPolarHBondContact O-CB 3.25Å; A94-N98 PolarHBondContact O-N 2.89Å; A94-N98 PolarHBondContact O-ND2 3.37Å; V96-N98 VanDerWaalsContact C-N 3.34Å; V96-N98 PolarHBondContact O-N 3.48Å; N98-V101 PolarHBondContact O-N 3.07Å; N98-L102 VanDerWaalsContact O-CB 3.29Å; N98-L102 WeakPolarHBondContact O-CB 3.39Å; N98-L102 VanDerWaalsContact O-CG 3.29Å; N98-L102 WeakPolarHBondContact O-CG 3.34Å; N98-L102 PolarHBondContact O-N 3.48Å; N98-F112 HydrophobicContact CB-CE1 4.22Å |
| 99 | A | 94.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 83.4 Ų | 83.4 | 8% | 0.083 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L95 V96 D97 L102 G103 V104 T107 F112 | L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 2.97Å; V96-A99 WeakPolarHBondContact O-CB 3.33Å; V96-A99 PolarHBondContact O-N 2.98Å; V96-A99 VanDerWaalsContact O-N 3.1Å; D97-A99 VanDerWaalsContact C-N 3.33Å; D97-A99 PolarHBondContact O-N 3.33Å; A99-L102 PolarHBondContact O-N 2.85Å; A99-G103 PolarHBondContact O-N 2.97Å; A99-V104 VanDerWaalsContact CA-CG2 3.49Å; A99-V104 HydrophobicContact CB-CG2 3.51Å; A99-V104 PolarHBondContact O-N 3.43Å; A99-T107 HydrophobicContact CB-CG2 4.47Å; A99-F112 HydrophobicContact CB-CE1 4.39Å; A99-F112 HydrophobicContact CB-CZ 3.76Å |
| 100 | M | 92.8 | Very high | 92.6 | Very high | 150 Ų | 150 | 85.4 Ų | 85.4 | 74% | 0.739 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.4 | -42.4 | 177.8 | -68.4 | -65.6 | -79 | 0 | 0 | 111.9 | V96 D97 G103 | V96-M100 HydrophobicContact CG1-CG 4.35Å; V96-M100 VanDerWaalsContact O-CG 3.3Å; V96-M100 WeakPolarHBondContact O-CG 3.43Å; V96-M100 PolarHBondContact O-N 3.05Å; D97-M100 PolarHBondContact O-N 3.39Å; M100-G103 PolarHBondContact O-N 3.47Å |
| 101 | V | 94.8 | Very high | 92.6 | Very high | 125 Ų | 125 | 82.6 Ų | 82.6 | 76% | 0.758 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.8 | -41.3 | 177 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | D97 N98 G103 | D97-V101 VanDerWaalsContact O-CG2 3.29Å; D97-V101 WeakPolarHBondContact O-CG2 3.45Å; D97-V101 PolarHBondContact O-N 3.34Å; N98-V101 PolarHBondContact O-N 3.07Å; V101-G103 VanDerWaalsContact C-N 3.25Å; V101-G103 PolarHBondContact O-N 3.49Å |
| 102 | L | 93.7 | Very high | 92.7 | Very high | 42 Ų | 42 | 74.9 Ų | 74.9 | 22% | 0.22 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -77.9 | -10.3 | 177.5 | -69 | 173.5 | 0 | 0 | 0 | 113.2 | N98 A99 V104 F112 A115 I116 L119 | N98-L102 VanDerWaalsContact O-CB 3.29Å; N98-L102 WeakPolarHBondContact O-CB 3.39Å; N98-L102 VanDerWaalsContact O-CG 3.29Å; N98-L102 WeakPolarHBondContact O-CG 3.34Å; N98-L102 PolarHBondContact O-N 3.48Å; A99-L102 PolarHBondContact O-N 2.85Å; L102-V104 VanDerWaalsContact C-N 3.3Å; L102-V104 HydrophobicContact CB-CG1 4.02Å; L102-V104 PolarHBondContact O-N 2.92Å; L102-F112 HydrophobicContact CD1-CD1 3.62Å; L102-F112 HydrophobicContact CD1-CE1 3.78Å; L102-A115 HydrophobicContact CB-CB 4.13Å; L102-A115 HydrophobicContact CD1-CB 4.44Å; L102-A115 HydrophobicContact CD2-CB 4.45Å; L102-I116 HydrophobicContact CD1-CG1 3.98Å; L102-L119 HydrophobicContact CD2-CD2 3.85Å |
| 103 | G | 93.1 | Very high | 92.9 | Very high | 65 Ų | 65 | 75.3 Ų | 75.3 | 67% | 0.67 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 33.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A99 M100 V101 | A99-G103 PolarHBondContact O-N 2.97Å; M100-G103 PolarHBondContact O-N 3.47Å; V101-G103 VanDerWaalsContact C-N 3.25Å; V101-G103 PolarHBondContact O-N 3.49Å |
| 104 | V | 94.8 | Very high | 93.1 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 17% | 0.17 | 44% | 0.44 | C | S | . | . | trans | -83 | 149.6 | -179.5 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | A99 L102 D106 S111 F112 A115 | A99-V104 VanDerWaalsContact CA-CG2 3.49Å; A99-V104 HydrophobicContact CB-CG2 3.51Å; A99-V104 PolarHBondContact O-N 3.43Å; L102-V104 VanDerWaalsContact C-N 3.3Å; L102-V104 HydrophobicContact CB-CG1 4.02Å; L102-V104 PolarHBondContact O-N 2.92Å; V104-D106 WeakPolarHBondContact CG2-O 3.45Å; V104-S111 WeakPolarHBondContact CG1-O 3.39Å; V104-F112 HydrophobicContact CG2-CE1 4.32Å; V104-F112 HydrophobicContact CG2-CE2 4.48Å; V104-F112 HydrophobicContact CG2-CZ 4.26Å; V104-A115 HydrophobicContact CG1-CB 3.54Å | ||
| 105 | K | 88.1 | Confident | 93.2 | Very high | 195 Ų | 195 | 74.2 Ų | 74.2 | 85% | 0.848 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -69.7 | -38.7 | -178.7 | -177.4 | -174.4 | 172.6 | -173.8 | 0 | 113.1 | ||
| 106 | D | 88 | Confident | 93.3 | Very high | 70 Ų | 70 | 74.4 Ų | 74.4 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -142.9 | 168.1 | -177.1 | 62.9 | 23.3 | 0 | 0 | 0 | 111 | V104 S108 S111 | V104-D106 WeakPolarHBondContact CG2-O 3.45Å; D106-S108 PolarHBondContact O-N 3.34Å; D106-S108 WeakPolarHBondContact OD1-CB 3.37Å; D106-S108 PolarHBondContact OD1-N 2.82Å; D106-S108 VanDerWaalsContact OD1-N 3.1Å; D106-S108 PolarHBondContact OD1-OG 3.23Å; D106-S108 PolarHBondContact OD2-OG 3.42Å; D106-S111 WeakPolarHBondContact OD1-CB 3.36Å; D106-S111 PolarHBondContact OD1-OG 3.19Å |
| 107 | T | 89.5 | Confident | 93.5 | Very high | 81 Ų | 81 | 75.3 Ų | 75.3 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -82.2 | 18.4 | 177.5 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | L95 A99 F112 | L95-T107 HydrophobicContact CD2-CG2 4.13Å; L95-T107 HydrophobicContact CG-CG2 4.05Å; A99-T107 HydrophobicContact CB-CG2 4.47Å; T107-F112 HydrophobicContact CG2-CE2 4.46Å |
| 108 | S | 93.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 76.3 Ų | 76.3 | 29% | 0.287 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -78.1 | 150.4 | -179.1 | 80.8 | 0 | 0 | 0 | 0 | 111.1 | D106 A110 S111 F112 | D106-S108 PolarHBondContact O-N 3.34Å; D106-S108 WeakPolarHBondContact OD1-CB 3.37Å; D106-S108 PolarHBondContact OD1-N 2.82Å; D106-S108 VanDerWaalsContact OD1-N 3.1Å; D106-S108 PolarHBondContact OD1-OG 3.23Å; D106-S108 PolarHBondContact OD2-OG 3.42Å; S108-A110 PolarHBondContact O-N 2.98Å; S108-S111 PolarHBondContact O-N 2.74Å; S108-S111 VanDerWaalsContact O-N 3.1Å; S108-S111 PolarHBondContact OG-N 3.14Å; S108-S111 PolarHBondContact OG-OG 3.05Å; S108-F112 WeakPolarHBondContact O-CD2 3.39Å; S108-F112 PolarHBondContact O-N 3.27Å |
| 109 | L | 93.1 | Very high | 93.7 | Very high | 129 Ų | 129 | 76.8 Ų | 76.8 | 68% | 0.675 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.8 | -32.3 | 175.3 | -173.4 | 66.6 | 0 | 0 | 0 | 112 | S111 F112 M113 | L109-S111 VanDerWaalsContact C-N 3.27Å; L109-S111 PolarHBondContact O-N 3.36Å; L109-F112 PolarHBondContact O-N 3.46Å; L109-M113 HydrophobicContact CD1-CG 3.53Å; L109-M113 HydrophobicContact CD1-SD 3.97Å; L109-M113 HydrophobicContact CG-CG 3.72Å; L109-M113 WeakPolarHBondContact O-CB 3.37Å; L109-M113 VanDerWaalsContact O-CG 3.24Å; L109-M113 WeakPolarHBondContact O-CG 3.26Å; L109-M113 PolarHBondContact O-N 2.85Å |
| 110 | A | 94.6 | Very high | 93.8 | Very high | 79 Ų | 79 | 80.2 Ų | 80.2 | 65% | 0.653 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.1 | -28.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S108 P114 | S108-A110 PolarHBondContact O-N 2.98Å; A110-P114 WeakPolarHBondContact O-CD 3.47Å; A110-P114 VanDerWaalsContact O-CG 3.27Å; A110-P114 WeakPolarHBondContact O-CG 3.31Å |
| 111 | S | 93.5 | Very high | 94.1 | Very high | 31 Ų | 31 | 74.7 Ų | 74.7 | 22% | 0.217 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -86.3 | -40.2 | 174.2 | -62 | 0 | 0 | 0 | 0 | 112.5 | V104 D106 S108 L109 | V104-S111 WeakPolarHBondContact CG1-O 3.39Å; D106-S111 WeakPolarHBondContact OD1-CB 3.36Å; D106-S111 PolarHBondContact OD1-OG 3.19Å; S108-S111 PolarHBondContact O-N 2.74Å; S108-S111 VanDerWaalsContact O-N 3.1Å; S108-S111 PolarHBondContact OG-N 3.14Å; S108-S111 PolarHBondContact OG-OG 3.05Å; L109-S111 VanDerWaalsContact C-N 3.27Å; L109-S111 PolarHBondContact O-N 3.36Å |
| 112 | F | 94.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 73.8 Ų | 73.8 | 9% | 0.088 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.7 | -42.4 | -179.9 | -87.8 | -75.1 | 0 | 0 | 0 | 113.5 | L95 N98 A99 L102 V104 T107 S108 L109 A115 I116 | L95-F112 HydrophobicContact CD1-CE2 3.66Å; L95-F112 HydrophobicContact CD1-CZ 3.63Å; L95-F112 HydrophobicContact CG-CE2 4.46Å; L95-F112 HydrophobicContact CG-CZ 4.42Å; N98-F112 HydrophobicContact CB-CE1 4.22Å; A99-F112 HydrophobicContact CB-CE1 4.39Å; A99-F112 HydrophobicContact CB-CZ 3.76Å; L102-F112 HydrophobicContact CD1-CD1 3.62Å; L102-F112 HydrophobicContact CD1-CE1 3.78Å; V104-F112 HydrophobicContact CG2-CE1 4.32Å; V104-F112 HydrophobicContact CG2-CE2 4.48Å; V104-F112 HydrophobicContact CG2-CZ 4.26Å; T107-F112 HydrophobicContact CG2-CE2 4.46Å; S108-F112 WeakPolarHBondContact O-CD2 3.39Å; S108-F112 PolarHBondContact O-N 3.27Å; L109-F112 PolarHBondContact O-N 3.46Å; F112-A115 PolarHBondContact O-N 3.46Å; F112-I116 HydrophobicContact CB-CD1 4.29Å; F112-I116 HydrophobicContact CD1-CD1 4.43Å; F112-I116 WeakPolarHBondContact O-CB 3.46Å; F112-I116 VanDerWaalsContact O-CG1 3.28Å; F112-I116 WeakPolarHBondContact O-CG1 3.42Å; F112-I116 PolarHBondContact O-N 3.37Å |
| 113 | M | 95.1 | Very high | 94.4 | Very high | 91 Ų | 91 | 76.3 Ų | 76.3 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | -174.3 | -75.1 | -65.8 | -65.5 | 0 | 0 | 113 | L109 N117 | L109-M113 HydrophobicContact CD1-CG 3.53Å; L109-M113 HydrophobicContact CD1-SD 3.97Å; L109-M113 HydrophobicContact CG-CG 3.72Å; L109-M113 WeakPolarHBondContact O-CB 3.37Å; L109-M113 VanDerWaalsContact O-CG 3.24Å; L109-M113 WeakPolarHBondContact O-CG 3.26Å; L109-M113 PolarHBondContact O-N 2.85Å; M113-N117 WeakPolarHBondContact O-CB 3.47Å; M113-N117 PolarHBondContact O-N 3Å; M113-N117 PolarHBondContact O-ND2 3.37Å |
| 114 | P | 95.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 78 Ų | 78 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.5 | -22.7 | 34.6 | 0 | 0 | 0 | 112.8 | A110 N117 N118 | A110-P114 WeakPolarHBondContact O-CD 3.47Å; A110-P114 VanDerWaalsContact O-CG 3.27Å; A110-P114 WeakPolarHBondContact O-CG 3.31Å; P114-N117 PolarHBondContact O-N 2.79Å; P114-N118 WeakPolarHBondContact O-CB 3.38Å; P114-N118 PolarHBondContact O-N 3.37Å; P114-N118 PolarHBondContact O-ND2 3.47Å |
| 115 | A | 95.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 81.5 Ų | 81.5 | 13% | 0.132 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L102 V104 F112 N118 L119 | L102-A115 HydrophobicContact CB-CB 4.13Å; L102-A115 HydrophobicContact CD1-CB 4.44Å; L102-A115 HydrophobicContact CD2-CB 4.45Å; V104-A115 HydrophobicContact CG1-CB 3.54Å; F112-A115 PolarHBondContact O-N 3.46Å; A115-N118 PolarHBondContact O-N 2.95Å; A115-L119 WeakPolarHBondContact O-CB 3.48Å; A115-L119 PolarHBondContact O-N 2.92Å |
| 116 | I | 95.6 | Very high | 95.3 | Very high | 73 Ų | 73 | 76.9 Ų | 76.9 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64 | -43 | 174.8 | -68.1 | 168.4 | 0 | 0 | 0 | 110.7 | L102 F112 L119 T120 | L102-I116 HydrophobicContact CD1-CG1 3.98Å; F112-I116 HydrophobicContact CB-CD1 4.29Å; F112-I116 HydrophobicContact CD1-CD1 4.43Å; F112-I116 WeakPolarHBondContact O-CB 3.46Å; F112-I116 VanDerWaalsContact O-CG1 3.28Å; F112-I116 WeakPolarHBondContact O-CG1 3.42Å; F112-I116 PolarHBondContact O-N 3.37Å; I116-L119 PolarHBondContact O-N 3.37Å; I116-T120 WeakPolarHBondContact O-CB 3.47Å; I116-T120 PolarHBondContact O-N 3.5Å; I116-T120 PolarHBondContact O-OG1 2.99Å |
| 117 | N | 96.4 | Very high | 95.7 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 177.8 | -76 | -20.3 | 0 | 0 | 0 | 112.1 | M113 P114 T120 G121 | M113-N117 WeakPolarHBondContact O-CB 3.47Å; M113-N117 PolarHBondContact O-N 3Å; M113-N117 PolarHBondContact O-ND2 3.37Å; P114-N117 PolarHBondContact O-N 2.79Å; N117-T120 PolarHBondContact O-N 3.4Å; N117-G121 PolarHBondContact O-N 2.96Å |
| 118 | N | 96 | Very high | 96.2 | Very high | 109 Ų | 109 | 78.7 Ų | 78.7 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.9 | -49.7 | 175.2 | -71 | -15.6 | 0 | 0 | 0 | 110.7 | P114 A115 T120 G121 D122 | P114-N118 WeakPolarHBondContact O-CB 3.38Å; P114-N118 PolarHBondContact O-N 3.37Å; P114-N118 PolarHBondContact O-ND2 3.47Å; A115-N118 PolarHBondContact O-N 2.95Å; N118-T120 VanDerWaalsContact C-N 3.28Å; N118-T120 PolarHBondContact O-N 3.4Å; N118-G121 WeakPolarHBondContact O-CA 3.34Å; N118-G121 PolarHBondContact O-N 3.31Å; N118-G121 VanDerWaalsContact O-N 3.08Å; N118-D122 PolarHBondContact O-N 2.99Å |
| 119 | L | 95.9 | Very high | 96.4 | Very high | 99 Ų | 99 | 79.6 Ų | 79.6 | 52% | 0.518 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 177.3 | -179.2 | 61.8 | 0 | 0 | 0 | 112.1 | L102 A115 I116 G121 D122 L123 | L102-L119 HydrophobicContact CD2-CD2 3.85Å; A115-L119 WeakPolarHBondContact O-CB 3.48Å; A115-L119 PolarHBondContact O-N 2.92Å; I116-L119 PolarHBondContact O-N 3.37Å; L119-G121 VanDerWaalsContact C-N 3.35Å; L119-D122 PolarHBondContact O-N 3.1Å; L119-L123 VanDerWaalsContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.28Å; L119-L123 PolarHBondContact O-N 3.1Å |
| 120 | T | 96.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 77.3 Ų | 77.3 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | I116 N117 N118 L124 | I116-T120 WeakPolarHBondContact O-CB 3.47Å; I116-T120 PolarHBondContact O-N 3.5Å; I116-T120 PolarHBondContact O-OG1 2.99Å; N117-T120 PolarHBondContact O-N 3.4Å; N118-T120 VanDerWaalsContact C-N 3.28Å; N118-T120 PolarHBondContact O-N 3.4Å; T120-L124 WeakPolarHBondContact O-CB 3.25Å; T120-L124 PolarHBondContact O-N 3.45Å |
| 121 | G | 97.9 | Very high | 96.8 | Very high | 33 Ų | 33 | 80 Ų | 80 | 34% | 0.34 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N117 N118 L119 L123 L124 E125 | N117-G121 PolarHBondContact O-N 2.96Å; N118-G121 WeakPolarHBondContact O-CA 3.34Å; N118-G121 PolarHBondContact O-N 3.31Å; N118-G121 VanDerWaalsContact O-N 3.08Å; L119-G121 VanDerWaalsContact C-N 3.35Å; G121-L123 VanDerWaalsContact C-N 3.34Å; G121-L123 PolarHBondContact O-N 3.15Å; G121-L124 PolarHBondContact O-N 2.69Å; G121-L124 VanDerWaalsContact O-N 3.17Å; G121-E125 PolarHBondContact O-N 2.84Å |
| 122 | D | 97.1 | Very high | 97 | Very high | 107 Ų | 107 | 84 Ų | 84 | 57% | 0.572 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.3 | -44.8 | 176.7 | -71 | -17.3 | 0 | 0 | 0 | 110.9 | N118 L119 L124 E125 V126 | N118-D122 PolarHBondContact O-N 2.99Å; L119-D122 PolarHBondContact O-N 3.1Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.33Å; D122-E125 PolarHBondContact O-N 3.48Å; D122-V126 WeakPolarHBondContact O-CB 3.25Å; D122-V126 VanDerWaalsContact O-CG2 3.3Å; D122-V126 WeakPolarHBondContact O-CG2 3.25Å; D122-V126 PolarHBondContact O-N 3.32Å |
| 123 | L | 97.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 88 Ų | 88 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.6 | -176.6 | 152.5 | 0 | 0 | 0 | 111.3 | L119 G121 V126 E127 | L119-L123 VanDerWaalsContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.28Å; L119-L123 PolarHBondContact O-N 3.1Å; G121-L123 VanDerWaalsContact C-N 3.34Å; G121-L123 PolarHBondContact O-N 3.15Å; L123-V126 PolarHBondContact O-N 2.98Å; L123-E127 HydrophobicContact CD2-CG 4.1Å; L123-E127 WeakPolarHBondContact CD2-OE1 3.33Å; L123-E127 WeakPolarHBondContact O-CB 3.44Å; L123-E127 WeakPolarHBondContact O-CG 3.47Å; L123-E127 PolarHBondContact O-N 3.28Å |
| 124 | L | 98 | Very high | 97.4 | Very high | 99 Ų | 99 | 87.3 Ų | 87.3 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | -179.8 | -176.2 | 65.2 | 0 | 0 | 0 | 112.5 | T120 G121 D122 E127 K128 | T120-L124 WeakPolarHBondContact O-CB 3.25Å; T120-L124 PolarHBondContact O-N 3.45Å; G121-L124 PolarHBondContact O-N 2.69Å; G121-L124 VanDerWaalsContact O-N 3.17Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.33Å; L124-E127 PolarHBondContact O-N 3.44Å; L124-K128 VanDerWaalsContact O-CB 3.27Å; L124-K128 WeakPolarHBondContact O-CB 3.2Å; L124-K128 PolarHBondContact O-N 2.85Å |
| 125 | E | 98.1 | Very high | 97.5 | Very high | 103 Ų | 103 | 90.9 Ų | 90.9 | 48% | 0.481 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 177.1 | -74.3 | -59.4 | 137.7 | 0 | 0 | 111.7 | G121 D122 K128 S129 | G121-E125 PolarHBondContact O-N 2.84Å; D122-E125 PolarHBondContact O-N 3.48Å; E125-K128 PolarHBondContact O-N 3.42Å; E125-K128 IonicContact OE1-NZ 2.68Å; E125-K128 PolarHBondContact OE1-NZ 3.25Å; E125-K128 IonicContact OE2-NZ 2.68Å; E125-K128 PolarHBondContact OE2-NZ 3.45Å; E125-S129 WeakPolarHBondContact O-CB 3.31Å; E125-S129 PolarHBondContact O-N 2.96Å |
| 126 | V | 98.3 | Very high | 97.7 | Very high | 97 Ų | 97 | 94.4 Ų | 94.4 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.1 | -48.3 | 171.9 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | D122 L123 K128 S129 N130 | D122-V126 WeakPolarHBondContact O-CB 3.25Å; D122-V126 VanDerWaalsContact O-CG2 3.3Å; D122-V126 WeakPolarHBondContact O-CG2 3.25Å; D122-V126 PolarHBondContact O-N 3.32Å; L123-V126 PolarHBondContact O-N 2.98Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.36Å; V126-S129 PolarHBondContact O-N 2.96Å; V126-S129 PolarHBondContact O-OG 3.43Å; V126-N130 WeakPolarHBondContact O-CB 3.41Å; V126-N130 PolarHBondContact O-N 3.49Å |
| 127 | E | 98.3 | Very high | 97.8 | Very high | 77 Ų | 77 | 95.7 Ų | 95.7 | 36% | 0.36 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 176.8 | -80.6 | -166.7 | -175.2 | 0 | 0 | 112.5 | L123 L124 S129 N130 R131 | L123-E127 HydrophobicContact CD2-CG 4.1Å; L123-E127 WeakPolarHBondContact CD2-OE1 3.33Å; L123-E127 WeakPolarHBondContact O-CB 3.44Å; L123-E127 WeakPolarHBondContact O-CG 3.47Å; L123-E127 PolarHBondContact O-N 3.28Å; L124-E127 PolarHBondContact O-N 3.44Å; E127-S129 VanDerWaalsContact C-N 3.35Å; E127-N130 PolarHBondContact O-N 3Å; E127-R131 WeakPolarHBondContact O-CB 3.49Å; E127-R131 VanDerWaalsContact O-CG 3.28Å; E127-R131 WeakPolarHBondContact O-CG 3.25Å; E127-R131 PolarHBondContact O-N 2.83Å; E127-R131 IonicContact OE2-CZ 3.85Å; E127-R131 IonicContact OE2-NH2 2.9Å; E127-R131 PolarHBondContact OE2-NH2 3.05Å |
| 128 | K | 98.1 | Very high | 97.9 | Very high | 113 Ų | 113 | 97.2 Ų | 97.2 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 178.2 | 176.7 | -177.3 | 165.3 | -156.1 | 0 | 111.5 | L124 E125 V126 K132 | L124-K128 VanDerWaalsContact O-CB 3.27Å; L124-K128 WeakPolarHBondContact O-CB 3.2Å; L124-K128 PolarHBondContact O-N 2.85Å; E125-K128 PolarHBondContact O-N 3.42Å; E125-K128 IonicContact OE1-NZ 2.68Å; E125-K128 PolarHBondContact OE1-NZ 3.25Å; E125-K128 IonicContact OE2-NZ 2.68Å; E125-K128 PolarHBondContact OE2-NZ 3.45Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.36Å; K128-K132 PolarHBondContact O-N 2.91Å; K128-K132 VanDerWaalsContact O-N 3.07Å |
| 129 | S | 98.2 | Very high | 98 | Very high | 60 Ų | 60 | 94.4 Ų | 94.4 | 42% | 0.42 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.6 | 79.5 | 0 | 0 | 0 | 0 | 111.4 | E125 V126 E127 K132 L133 | E125-S129 WeakPolarHBondContact O-CB 3.31Å; E125-S129 PolarHBondContact O-N 2.96Å; V126-S129 PolarHBondContact O-N 2.96Å; V126-S129 PolarHBondContact O-OG 3.43Å; E127-S129 VanDerWaalsContact C-N 3.35Å; S129-K132 WeakPolarHBondContact O-CB 3.3Å; S129-K132 PolarHBondContact O-N 3.4Å; S129-K132 VanDerWaalsContact O-N 3.12Å; S129-L133 PolarHBondContact O-N 3.4Å |
| 130 | N | 98.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 94.3 Ų | 94.3 | 43% | 0.433 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 177.3 | -172 | 43.5 | 0 | 0 | 0 | 111.4 | V126 E127 K132 L133 E134 | V126-N130 WeakPolarHBondContact O-CB 3.41Å; V126-N130 PolarHBondContact O-N 3.49Å; E127-N130 PolarHBondContact O-N 3Å; N130-K132 PolarHBondContact O-N 2.94Å; N130-L133 PolarHBondContact O-N 3.25Å; N130-L133 VanDerWaalsContact O-N 3.12Å; N130-E134 PolarHBondContact ND2-OE1 3.05Å; N130-E134 WeakPolarHBondContact O-CG 3.23Å; N130-E134 PolarHBondContact O-N 3.45Å |
| 131 | R | 98.2 | Very high | 98.2 | Very high | 135 Ų | 135 | 96 Ų | 96 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.5 | -33 | 174 | -71.2 | 175.8 | -164.1 | -178.9 | 10.7 | 112.2 | E127 R135 | E127-R131 WeakPolarHBondContact O-CB 3.49Å; E127-R131 VanDerWaalsContact O-CG 3.28Å; E127-R131 WeakPolarHBondContact O-CG 3.25Å; E127-R131 PolarHBondContact O-N 2.83Å; E127-R131 IonicContact OE2-CZ 3.85Å; E127-R131 IonicContact OE2-NH2 2.9Å; E127-R131 PolarHBondContact OE2-NH2 3.05Å; R131-R135 WeakPolarHBondContact O-CG 3.36Å; R131-R135 PolarHBondContact O-N 3.35Å; R131-R135 PolarHBondContact O-NE 3.4Å |
| 132 | K | 98.2 | Very high | 98.2 | Very high | 115 Ų | 115 | 102.3 Ų | 102.3 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -49.8 | 175.2 | -171 | -172.2 | 175.9 | -165.8 | 0 | 111.2 | K128 S129 N130 E134 R135 E136 | K128-K132 PolarHBondContact O-N 2.91Å; K128-K132 VanDerWaalsContact O-N 3.07Å; S129-K132 WeakPolarHBondContact O-CB 3.3Å; S129-K132 PolarHBondContact O-N 3.4Å; S129-K132 VanDerWaalsContact O-N 3.12Å; N130-K132 PolarHBondContact O-N 2.94Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.29Å; K132-R135 WeakPolarHBondContact O-CB 3.39Å; K132-R135 PolarHBondContact O-N 3.38Å; K132-R135 VanDerWaalsContact O-N 3.11Å; K132-E136 WeakPolarHBondContact CE-OE1 3.47Å; K132-E136 IonicContact NZ-OE1 3.01Å; K132-E136 PolarHBondContact O-N 3.2Å |
| 133 | L | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.2 | -71.5 | 168.9 | 0 | 0 | 0 | 111.8 | S129 N130 R135 E136 L137 | S129-L133 PolarHBondContact O-N 3.4Å; N130-L133 PolarHBondContact O-N 3.25Å; N130-L133 VanDerWaalsContact O-N 3.12Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 2.91Å; L133-E136 PolarHBondContact O-N 3.3Å; L133-L137 WeakPolarHBondContact O-CB 3.31Å; L133-L137 PolarHBondContact O-N 3Å |
| 134 | E | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 105.5 Ų | 105.5 | 36% | 0.36 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -35.2 | 176.3 | -70.5 | -179.6 | -174.1 | 0 | 0 | 113.2 | N130 K132 R138 | N130-E134 PolarHBondContact ND2-OE1 3.05Å; N130-E134 WeakPolarHBondContact O-CG 3.23Å; N130-E134 PolarHBondContact O-N 3.45Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.29Å; E134-R138 VanDerWaalsContact CB-NH2 3.33Å; E134-R138 WeakPolarHBondContact O-CB 3.45Å; E134-R138 WeakPolarHBondContact O-CG 3.46Å; E134-R138 PolarHBondContact O-N 3.27Å; E134-R138 PolarHBondContact O-NE 3.34Å; E134-R138 IonicContact OE2-CZ 2.68Å; E134-R138 IonicContact OE2-NH1 2.67Å; E134-R138 IonicContact OE2-NH2 3.28Å; E134-R138 PolarHBondContact OE2-NH2 2.89Å |
| 135 | R | 98.4 | Very high | 98.3 | Very high | 139 Ų | 139 | 102.4 Ų | 102.4 | 53% | 0.525 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 175 | -80.9 | -178.3 | -95.9 | 105.2 | -2.2 | 111 | R131 K132 L133 R138 A139 | R131-R135 WeakPolarHBondContact O-CG 3.36Å; R131-R135 PolarHBondContact O-N 3.35Å; R131-R135 PolarHBondContact O-NE 3.4Å; K132-R135 WeakPolarHBondContact O-CB 3.39Å; K132-R135 PolarHBondContact O-N 3.38Å; K132-R135 VanDerWaalsContact O-N 3.11Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 2.91Å; R135-R138 PolarHBondContact O-N 3.01Å; R135-A139 PolarHBondContact O-N 2.94Å |
| 136 | E | 98.4 | Very high | 98.4 | Very high | 90 Ų | 90 | 101 Ų | 101 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.2 | -70.7 | 174.9 | -170.5 | 0 | 0 | 111.6 | K132 L133 R138 A139 L140 | K132-E136 WeakPolarHBondContact CE-OE1 3.47Å; K132-E136 IonicContact NZ-OE1 3.01Å; K132-E136 PolarHBondContact O-N 3.2Å; L133-E136 PolarHBondContact O-N 3.3Å; E136-R138 PolarHBondContact O-N 3.37Å; E136-A139 PolarHBondContact O-N 2.99Å; E136-L140 WeakPolarHBondContact O-CG 3.49Å; E136-L140 PolarHBondContact O-N 2.92Å |
| 137 | L | 98.6 | Very high | 98.4 | Very high | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 174.9 | -170.9 | 84.8 | 0 | 0 | 0 | 111.2 | L133 A139 L140 Q141 | L133-L137 WeakPolarHBondContact O-CB 3.31Å; L133-L137 PolarHBondContact O-N 3Å; L137-A139 VanDerWaalsContact C-N 3.32Å; L137-A139 PolarHBondContact O-N 2.67Å; L137-L140 PolarHBondContact O-N 3.48Å; L137-Q141 WeakPolarHBondContact O-CG 3.23Å; L137-Q141 PolarHBondContact O-N 2.9Å |
| 138 | R | 98.5 | Very high | 98.4 | Very high | 126 Ų | 126 | 100.4 Ų | 100.4 | 48% | 0.475 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 176.9 | -78.9 | -178.2 | -83.5 | -123.8 | -2.6 | 112.1 | E134 R135 E136 Q141 K142 | E134-R138 VanDerWaalsContact CB-NH2 3.33Å; E134-R138 WeakPolarHBondContact O-CB 3.45Å; E134-R138 WeakPolarHBondContact O-CG 3.46Å; E134-R138 PolarHBondContact O-N 3.27Å; E134-R138 PolarHBondContact O-NE 3.34Å; E134-R138 IonicContact OE2-CZ 2.68Å; E134-R138 IonicContact OE2-NH1 2.67Å; E134-R138 IonicContact OE2-NH2 3.28Å; E134-R138 PolarHBondContact OE2-NH2 2.89Å; R135-R138 PolarHBondContact O-N 3.01Å; E136-R138 PolarHBondContact O-N 3.37Å; R138-Q141 PolarHBondContact O-N 3.15Å; R138-K142 WeakPolarHBondContact O-CG 3.47Å; R138-K142 PolarHBondContact O-N 3.2Å; R138-K142 VanDerWaalsContact O-N 3.1Å |
| 139 | A | 98.4 | Very high | 98.4 | Very high | 51 Ų | 51 | 99.4 Ų | 99.4 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R135 E136 L137 K142 R143 | R135-A139 PolarHBondContact O-N 2.94Å; E136-A139 PolarHBondContact O-N 2.99Å; L137-A139 VanDerWaalsContact C-N 3.32Å; L137-A139 PolarHBondContact O-N 2.67Å; A139-K142 PolarHBondContact O-N 2.98Å; A139-R143 WeakPolarHBondContact O-CG 3.49Å; A139-R143 PolarHBondContact O-N 3.04Å |
| 140 | L | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 101.3 Ų | 101.3 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 175.4 | -76.8 | 168.9 | 0 | 0 | 0 | 111.9 | E136 L137 K142 R143 L144 | E136-L140 WeakPolarHBondContact O-CG 3.49Å; E136-L140 PolarHBondContact O-N 2.92Å; L137-L140 PolarHBondContact O-N 3.48Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 2.96Å; L140-R143 PolarHBondContact O-N 3.42Å; L140-L144 WeakPolarHBondContact O-CB 3.26Å; L140-L144 PolarHBondContact O-N 3.15Å |
| 141 | Q | 98.4 | Very high | 98.4 | Very high | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 175.6 | -75 | 172.6 | -20.1 | 0 | 0 | 111.9 | L137 R138 L144 G145 | L137-Q141 WeakPolarHBondContact O-CG 3.23Å; L137-Q141 PolarHBondContact O-N 2.9Å; R138-Q141 PolarHBondContact O-N 3.15Å; Q141-L144 PolarHBondContact O-N 3.39Å; Q141-G145 PolarHBondContact O-N 3.08Å |
| 142 | K | 98.4 | Very high | 98.4 | Very high | 167 Ų | 167 | 100.8 Ų | 100.8 | 73% | 0.726 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 175.6 | -73.3 | -179.7 | 180 | -175.1 | 0 | 112.2 | R138 A139 L140 L144 G145 S146 | R138-K142 WeakPolarHBondContact O-CG 3.47Å; R138-K142 PolarHBondContact O-N 3.2Å; R138-K142 VanDerWaalsContact O-N 3.1Å; A139-K142 PolarHBondContact O-N 2.98Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 2.96Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-G145 PolarHBondContact O-N 3.2Å; K142-S146 PolarHBondContact O-N 2.88Å |
| 143 | R | 98.4 | Very high | 98.4 | Very high | 164 Ų | 164 | 99.1 Ų | 99.1 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -39.3 | 176.7 | -73.4 | 174.7 | 62.6 | -154.7 | -1.9 | 112.3 | A139 L140 S146 T147 | A139-R143 WeakPolarHBondContact O-CG 3.49Å; A139-R143 PolarHBondContact O-N 3.04Å; L140-R143 PolarHBondContact O-N 3.42Å; R143-S146 PolarHBondContact O-N 3.46Å; R143-S146 PolarHBondContact O-OG 3.43Å; R143-T147 WeakPolarHBondContact O-CB 3.43Å; R143-T147 PolarHBondContact O-N 2.94Å; R143-T147 PolarHBondContact O-OG1 2.68Å |
| 144 | L | 98.4 | Very high | 98.4 | Very high | 104 Ų | 104 | 98.6 Ų | 98.6 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 175.5 | 179.4 | 61.3 | 0 | 0 | 0 | 110.2 | L140 Q141 K142 S146 T147 L148 | L140-L144 WeakPolarHBondContact O-CB 3.26Å; L140-L144 PolarHBondContact O-N 3.15Å; Q141-L144 PolarHBondContact O-N 3.39Å; K142-L144 VanDerWaalsContact C-N 3.34Å; L144-S146 PolarHBondContact O-N 2.91Å; L144-T147 PolarHBondContact O-N 3.18Å; L144-L148 HydrophobicContact CD1-CD1 4.27Å; L144-L148 HydrophobicContact CD1-CG 4.21Å; L144-L148 HydrophobicContact CG-CD1 4.07Å; L144-L148 HydrophobicContact CG-CG 4.44Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 VanDerWaalsContact O-CG 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.3Å; L144-L148 PolarHBondContact O-N 2.96Å |
| 145 | G | 98.4 | Very high | 98.4 | Very high | 35 Ų | 35 | 99.9 Ų | 99.9 | 36% | 0.361 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.3 | -49.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q141 K142 T147 L148 V149 | Q141-G145 PolarHBondContact O-N 3.08Å; K142-G145 PolarHBondContact O-N 3.2Å; G145-T147 VanDerWaalsContact C-N 3.34Å; G145-T147 PolarHBondContact O-N 2.84Å; G145-L148 PolarHBondContact O-N 3.47Å; G145-V149 WeakPolarHBondContact O-CG2 3.12Å; G145-V149 PolarHBondContact O-N 2.91Å; G145-V149 VanDerWaalsContact O-N 3.12Å |
| 146 | S | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 98 Ų | 98 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 178.3 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | K142 R143 L144 V149 L150 | K142-S146 PolarHBondContact O-N 2.88Å; R143-S146 PolarHBondContact O-N 3.46Å; R143-S146 PolarHBondContact O-OG 3.43Å; L144-S146 PolarHBondContact O-N 2.91Å; S146-V149 PolarHBondContact O-N 3.04Å; S146-L150 PolarHBondContact O-N 3.3Å |
| 147 | T | 98.2 | Very high | 98.4 | Very high | 86 Ų | 86 | 97.7 Ų | 97.7 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 178.2 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | R143 L144 G145 L150 R151 | R143-T147 WeakPolarHBondContact O-CB 3.43Å; R143-T147 PolarHBondContact O-N 2.94Å; R143-T147 PolarHBondContact O-OG1 2.68Å; L144-T147 PolarHBondContact O-N 3.18Å; G145-T147 VanDerWaalsContact C-N 3.34Å; G145-T147 PolarHBondContact O-N 2.84Å; T147-L150 PolarHBondContact O-N 3.32Å; T147-R151 WeakPolarHBondContact O-CB 3.35Å; T147-R151 PolarHBondContact O-N 3.35Å |
| 148 | L | 98.4 | Very high | 98.3 | Very high | 75 Ų | 75 | 97.3 Ų | 97.3 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 176.3 | -74 | 172.2 | 0 | 0 | 0 | 112 | L144 G145 R151 G152 | L144-L148 HydrophobicContact CD1-CD1 4.27Å; L144-L148 HydrophobicContact CD1-CG 4.21Å; L144-L148 HydrophobicContact CG-CD1 4.07Å; L144-L148 HydrophobicContact CG-CG 4.44Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 VanDerWaalsContact O-CG 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.3Å; L144-L148 PolarHBondContact O-N 2.96Å; G145-L148 PolarHBondContact O-N 3.47Å; L148-R151 VanDerWaalsContact CD2-CZ 3.49Å; L148-R151 PolarHBondContact O-N 2.75Å; L148-G152 PolarHBondContact O-N 3.07Å |
| 149 | V | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 95 Ų | 95 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -48.1 | 173.9 | 173 | 0 | 0 | 0 | 0 | 110.7 | G145 S146 R151 G152 N153 | G145-V149 WeakPolarHBondContact O-CG2 3.12Å; G145-V149 PolarHBondContact O-N 2.91Å; G145-V149 VanDerWaalsContact O-N 3.12Å; S146-V149 PolarHBondContact O-N 3.04Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.01Å; V149-G152 PolarHBondContact O-N 3.45Å; V149-N153 PolarHBondContact O-N 2.68Å |
| 150 | L | 98.3 | Very high | 98.3 | Very high | 100 Ų | 100 | 97.6 Ų | 97.6 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 177.4 | -179.6 | 62.8 | 0 | 0 | 0 | 111.9 | S146 T147 G152 N153 L154 | S146-L150 PolarHBondContact O-N 3.3Å; T147-L150 PolarHBondContact O-N 3.32Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 3.03Å; L150-N153 PolarHBondContact O-N 3.39Å; L150-L154 HydrophobicContact CD1-CG 4.42Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 HydrophobicContact CG-CG 4.5Å; L150-L154 WeakPolarHBondContact O-CG 3.33Å; L150-L154 PolarHBondContact O-N 2.91Å |
| 151 | R | 98.1 | Very high | 98.3 | Very high | 165 Ų | 165 | 96.8 Ų | 96.8 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 174.8 | -174.8 | -171 | 69.8 | -176.9 | 3.4 | 111.6 | T147 L148 V149 L154 Q155 | T147-R151 WeakPolarHBondContact O-CB 3.35Å; T147-R151 PolarHBondContact O-N 3.35Å; L148-R151 VanDerWaalsContact CD2-CZ 3.49Å; L148-R151 PolarHBondContact O-N 2.75Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.01Å; R151-L154 PolarHBondContact O-N 3.5Å; R151-Q155 PolarHBondContact O-N 2.92Å |
| 152 | G | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 95.1 Ų | 95.1 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L148 V149 L150 L154 Q155 E156 | L148-G152 PolarHBondContact O-N 3.07Å; V149-G152 PolarHBondContact O-N 3.45Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 3.03Å; G152-L154 PolarHBondContact O-N 3.45Å; G152-Q155 PolarHBondContact O-N 2.88Å; G152-E156 PolarHBondContact O-N 3.35Å; G152-E156 VanDerWaalsContact O-N 3.08Å |
| 153 | N | 98.2 | Very high | 98.3 | Very high | 80 Ų | 80 | 94.4 Ų | 94.4 | 43% | 0.428 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.5 | -63.8 | -8.2 | 0 | 0 | 0 | 111.9 | V149 L150 Q155 E156 D157 | V149-N153 PolarHBondContact O-N 2.68Å; L150-N153 PolarHBondContact O-N 3.39Å; N153-Q155 VanDerWaalsContact C-N 3.29Å; N153-Q155 PolarHBondContact O-N 3.43Å; N153-E156 WeakPolarHBondContact O-CB 3.35Å; N153-E156 PolarHBondContact O-N 3.48Å; N153-E156 VanDerWaalsContact O-N 3.15Å; N153-D157 PolarHBondContact O-N 2.81Å |
| 154 | L | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 89.7 Ų | 89.7 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 177.7 | -74.8 | 172.2 | 0 | 0 | 0 | 112.2 | L150 R151 G152 D157 I158 | L150-L154 HydrophobicContact CD1-CG 4.42Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 HydrophobicContact CG-CG 4.5Å; L150-L154 WeakPolarHBondContact O-CG 3.33Å; L150-L154 PolarHBondContact O-N 2.91Å; R151-L154 PolarHBondContact O-N 3.5Å; G152-L154 PolarHBondContact O-N 3.45Å; L154-D157 PolarHBondContact O-N 3.49Å; L154-I158 WeakPolarHBondContact O-CB 3.37Å; L154-I158 VanDerWaalsContact O-CG1 3.23Å; L154-I158 WeakPolarHBondContact O-CG1 3.49Å; L154-I158 PolarHBondContact O-N 3.12Å |
| 155 | Q | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 91 Ų | 91 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.9 | -173.3 | 61.6 | 53.9 | 0 | 0 | 111.3 | R151 G152 N153 D157 I158 D159 | R151-Q155 PolarHBondContact O-N 2.92Å; G152-Q155 PolarHBondContact O-N 2.88Å; N153-Q155 VanDerWaalsContact C-N 3.29Å; N153-Q155 PolarHBondContact O-N 3.43Å; Q155-D157 VanDerWaalsContact C-N 3.34Å; Q155-D157 PolarHBondContact O-N 3.08Å; Q155-I158 PolarHBondContact O-N 3.44Å; Q155-D159 PolarHBondContact NE2-OD1 3.01Å; Q155-D159 VanDerWaalsContact NE2-OD1 3.1Å; Q155-D159 VanDerWaalsContact O-CG 3.24Å; Q155-D159 PolarHBondContact O-N 3.44Å |
| 156 | E | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 92.4 Ų | 92.4 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 176.9 | -166.6 | -171.7 | 157.4 | 0 | 0 | 111.9 | G152 N153 D159 K160 | G152-E156 PolarHBondContact O-N 3.35Å; G152-E156 VanDerWaalsContact O-N 3.08Å; N153-E156 WeakPolarHBondContact O-CB 3.35Å; N153-E156 PolarHBondContact O-N 3.48Å; N153-E156 VanDerWaalsContact O-N 3.15Å; E156-D159 PolarHBondContact O-N 3.24Å; E156-K160 WeakPolarHBondContact O-CG 3.11Å; E156-K160 PolarHBondContact O-N 2.69Å; E156-K160 WeakPolarHBondContact OE1-CE 3.34Å; E156-K160 IonicContact OE1-NZ 2.73Å; E156-K160 PolarHBondContact OE1-NZ 2.93Å |
| 157 | D | 98.3 | Very high | 98.1 | Very high | 83 Ų | 83 | 92.7 Ų | 92.7 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.5 | -71.8 | -19.8 | 0 | 0 | 0 | 111.4 | N153 L154 Q155 D159 K160 T161 | N153-D157 PolarHBondContact O-N 2.81Å; L154-D157 PolarHBondContact O-N 3.49Å; Q155-D157 VanDerWaalsContact C-N 3.34Å; Q155-D157 PolarHBondContact O-N 3.08Å; D157-D159 VanDerWaalsContact C-N 3.32Å; D157-D159 PolarHBondContact O-N 2.95Å; D157-K160 PolarHBondContact O-N 3.35Å; D157-T161 WeakPolarHBondContact O-CB 3.4Å; D157-T161 PolarHBondContact O-N 3.41Å; D157-T161 PolarHBondContact O-OG1 3.36Å; D157-T161 VanDerWaalsContact O-OG1 3.05Å |
| 158 | I | 98.4 | Very high | 98 | Very high | 92 Ų | 92 | 93 Ų | 93 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 173.6 | -73.1 | 165.9 | 0 | 0 | 0 | 110.5 | L154 Q155 K160 T161 T162 | L154-I158 WeakPolarHBondContact O-CB 3.37Å; L154-I158 VanDerWaalsContact O-CG1 3.23Å; L154-I158 WeakPolarHBondContact O-CG1 3.49Å; L154-I158 PolarHBondContact O-N 3.12Å; Q155-I158 PolarHBondContact O-N 3.44Å; I158-K160 VanDerWaalsContact C-N 3.33Å; I158-K160 PolarHBondContact O-N 3.34Å; I158-T161 PolarHBondContact O-N 2.88Å; I158-T162 WeakPolarHBondContact O-CB 3.36Å; I158-T162 PolarHBondContact O-N 2.88Å; I158-T162 PolarHBondContact O-OG1 2.85Å |
| 159 | D | 98.3 | Very high | 97.9 | Very high | 77 Ų | 77 | 92.8 Ų | 92.8 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | -179.6 | -67.6 | -11.4 | 0 | 0 | 0 | 111.5 | Q155 E156 D157 K163 | Q155-D159 PolarHBondContact NE2-OD1 3.01Å; Q155-D159 VanDerWaalsContact NE2-OD1 3.1Å; Q155-D159 VanDerWaalsContact O-CG 3.24Å; Q155-D159 PolarHBondContact O-N 3.44Å; E156-D159 PolarHBondContact O-N 3.24Å; D157-D159 VanDerWaalsContact C-N 3.32Å; D157-D159 PolarHBondContact O-N 2.95Å; D159-K163 VanDerWaalsContact O-CG 3.31Å; D159-K163 WeakPolarHBondContact O-CG 3.31Å; D159-K163 PolarHBondContact O-N 3.45Å; D159-K163 VanDerWaalsContact O-N 3.15Å |
| 160 | K | 98.3 | Very high | 97.8 | Very high | 107 Ų | 107 | 91.1 Ų | 91.1 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 174.9 | -75.2 | 170.6 | -174.9 | 160.6 | 0 | 111.7 | E156 D157 I158 T162 K163 S164 | E156-K160 WeakPolarHBondContact O-CG 3.11Å; E156-K160 PolarHBondContact O-N 2.69Å; E156-K160 WeakPolarHBondContact OE1-CE 3.34Å; E156-K160 IonicContact OE1-NZ 2.73Å; E156-K160 PolarHBondContact OE1-NZ 2.93Å; D157-K160 PolarHBondContact O-N 3.35Å; I158-K160 VanDerWaalsContact C-N 3.33Å; I158-K160 PolarHBondContact O-N 3.34Å; K160-T162 VanDerWaalsContact C-N 3.32Å; K160-T162 PolarHBondContact O-N 3.39Å; K160-K163 PolarHBondContact O-N 3.33Å; K160-S164 PolarHBondContact O-N 2.81Å; K160-S164 PolarHBondContact O-OG 3.44Å |
| 161 | T | 97.9 | Very high | 97.8 | Very high | 80 Ų | 80 | 90.2 Ų | 90.2 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | D157 I158 K163 S164 Q165 | D157-T161 WeakPolarHBondContact O-CB 3.4Å; D157-T161 PolarHBondContact O-N 3.41Å; D157-T161 PolarHBondContact O-OG1 3.36Å; D157-T161 VanDerWaalsContact O-OG1 3.05Å; I158-T161 PolarHBondContact O-N 2.88Å; T161-K163 VanDerWaalsContact C-N 3.33Å; T161-K163 PolarHBondContact O-N 2.88Å; T161-S164 WeakPolarHBondContact CA-OG 3.16Å; T161-S164 PolarHBondContact O-N 3.21Å; T161-S164 PolarHBondContact O-OG 3.19Å; T161-Q165 WeakPolarHBondContact O-CB 3.41Å; T161-Q165 PolarHBondContact O-N 3.1Å |
| 162 | T | 98.2 | Very high | 97.7 | Very high | 81 Ų | 81 | 84.5 Ų | 84.5 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | I158 K160 A166 | I158-T162 WeakPolarHBondContact O-CB 3.36Å; I158-T162 PolarHBondContact O-N 2.88Å; I158-T162 PolarHBondContact O-OG1 2.85Å; K160-T162 VanDerWaalsContact C-N 3.32Å; K160-T162 PolarHBondContact O-N 3.39Å; T162-A166 PolarHBondContact O-N 3.33Å |
| 163 | K | 97.7 | Very high | 97.6 | Very high | 152 Ų | 152 | 88.7 Ų | 88.7 | 66% | 0.661 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.9 | -45.9 | 175.9 | -72.1 | 170.8 | -174.8 | 173.3 | 0 | 112.2 | D159 K160 T161 Q165 A166 V167 | D159-K163 VanDerWaalsContact O-CG 3.31Å; D159-K163 WeakPolarHBondContact O-CG 3.31Å; D159-K163 PolarHBondContact O-N 3.45Å; D159-K163 VanDerWaalsContact O-N 3.15Å; K160-K163 PolarHBondContact O-N 3.33Å; T161-K163 VanDerWaalsContact C-N 3.33Å; T161-K163 PolarHBondContact O-N 2.88Å; K163-Q165 VanDerWaalsContact C-N 3.33Å; K163-A166 PolarHBondContact O-N 2.97Å; K163-V167 WeakPolarHBondContact O-CG2 3.4Å; K163-V167 PolarHBondContact O-N 3.36Å |
| 164 | S | 97 | Very high | 97.6 | Very high | 64 Ų | 64 | 91.4 Ų | 91.4 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 179.1 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | K160 T161 V167 E168 | K160-S164 PolarHBondContact O-N 2.81Å; K160-S164 PolarHBondContact O-OG 3.44Å; T161-S164 WeakPolarHBondContact CA-OG 3.16Å; T161-S164 PolarHBondContact O-N 3.21Å; T161-S164 PolarHBondContact O-OG 3.19Å; S164-V167 PolarHBondContact O-N 2.88Å; S164-E168 PolarHBondContact O-N 3.46Å |
| 165 | Q | 97.8 | Very high | 97.5 | Very high | 133 Ų | 133 | 94.6 Ų | 94.6 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 175.5 | -176.9 | 168.9 | 5.4 | 0 | 0 | 111.9 | T161 K163 V167 E168 S169 | T161-Q165 WeakPolarHBondContact O-CB 3.41Å; T161-Q165 PolarHBondContact O-N 3.1Å; K163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-V167 VanDerWaalsContact C-N 3.33Å; Q165-V167 PolarHBondContact O-N 3.26Å; Q165-E168 PolarHBondContact O-N 3.38Å; Q165-S169 VanDerWaalsContact O-CB 3.25Å; Q165-S169 WeakPolarHBondContact O-CB 3.48Å; Q165-S169 PolarHBondContact O-N 2.94Å |
| 166 | A | 97.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 94.3 Ų | 94.3 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T162 K163 S169 A170 | T162-A166 PolarHBondContact O-N 3.33Å; K163-A166 PolarHBondContact O-N 2.97Å; A166-S169 PolarHBondContact O-N 3.49Å; A166-A170 PolarHBondContact O-N 3.29Å |
| 167 | V | 97.4 | Very high | 97.3 | Very high | 79 Ų | 79 | 95 Ų | 95 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | K163 S164 Q165 S169 A170 K171 | K163-V167 WeakPolarHBondContact O-CG2 3.4Å; K163-V167 PolarHBondContact O-N 3.36Å; S164-V167 PolarHBondContact O-N 2.88Å; Q165-V167 VanDerWaalsContact C-N 3.33Å; Q165-V167 PolarHBondContact O-N 3.26Å; V167-S169 VanDerWaalsContact C-N 3.33Å; V167-S169 PolarHBondContact O-N 3Å; V167-A170 PolarHBondContact O-N 3.02Å; V167-K171 HydrophobicContact CG1-CD 4.45Å; V167-K171 WeakPolarHBondContact O-CG 3.34Å; V167-K171 PolarHBondContact O-N 2.72Å |
| 168 | E | 96.4 | Very high | 97.2 | Very high | 92 Ų | 92 | 95.9 Ų | 95.9 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -33.8 | 179 | -71.7 | -55.9 | 129.2 | 0 | 0 | 112.3 | S164 Q165 K171 A172 | S164-E168 PolarHBondContact O-N 3.46Å; Q165-E168 PolarHBondContact O-N 3.38Å; E168-K171 PolarHBondContact O-N 2.91Å; E168-K171 IonicContact OE1-NZ 2.8Å; E168-K171 PolarHBondContact OE1-NZ 3.39Å; E168-A172 WeakPolarHBondContact O-CB 3.43Å; E168-A172 PolarHBondContact O-N 2.91Å |
| 169 | S | 96.9 | Very high | 97.1 | Very high | 72 Ų | 72 | 96.3 Ų | 96.3 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 172.5 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | Q165 A166 V167 K171 A172 E173 | Q165-S169 VanDerWaalsContact O-CB 3.25Å; Q165-S169 WeakPolarHBondContact O-CB 3.48Å; Q165-S169 PolarHBondContact O-N 2.94Å; A166-S169 PolarHBondContact O-N 3.49Å; V167-S169 VanDerWaalsContact C-N 3.33Å; V167-S169 PolarHBondContact O-N 3Å; S169-K171 PolarHBondContact O-N 3.16Å; S169-A172 PolarHBondContact O-N 3.43Å; S169-E173 PolarHBondContact O-N 2.95Å |
| 170 | A | 96.7 | Very high | 97 | Very high | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | A166 V167 E173 E174 | A166-A170 PolarHBondContact O-N 3.29Å; V167-A170 PolarHBondContact O-N 3.02Å; A170-E173 PolarHBondContact O-N 3.25Å; A170-E174 PolarHBondContact O-N 2.86Å |
| 171 | K | 97.1 | Very high | 97 | Very high | 82 Ų | 82 | 98.1 Ų | 98.1 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 174.6 | -70.8 | 177.7 | -170.1 | 165.3 | 0 | 112.7 | V167 E168 S169 E173 E174 R175 | V167-K171 HydrophobicContact CG1-CD 4.45Å; V167-K171 WeakPolarHBondContact O-CG 3.34Å; V167-K171 PolarHBondContact O-N 2.72Å; E168-K171 PolarHBondContact O-N 2.91Å; E168-K171 IonicContact OE1-NZ 2.8Å; E168-K171 PolarHBondContact OE1-NZ 3.39Å; S169-K171 PolarHBondContact O-N 3.16Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E174 PolarHBondContact O-N 3.35Å; K171-R175 WeakPolarHBondContact O-CB 3.24Å; K171-R175 VanDerWaalsContact O-CG 3.28Å; K171-R175 WeakPolarHBondContact O-CG 3.38Å; K171-R175 PolarHBondContact O-N 3.47Å |
| 172 | A | 96.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 98.2 Ų | 98.2 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E168 S169 R175 L176 | E168-A172 WeakPolarHBondContact O-CB 3.43Å; E168-A172 PolarHBondContact O-N 2.91Å; S169-A172 PolarHBondContact O-N 3.43Å; A172-R175 PolarHBondContact O-N 3.4Å; A172-L176 WeakPolarHBondContact O-CG 3.48Å; A172-L176 PolarHBondContact O-N 3.41Å |
| 173 | E | 96.9 | Very high | 96.9 | Very high | 126 Ų | 126 | 97.4 Ų | 97.4 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 174.3 | -169.6 | 173.5 | -171.7 | 0 | 0 | 111.8 | S169 A170 K171 R175 L176 L177 | S169-E173 PolarHBondContact O-N 2.95Å; A170-E173 PolarHBondContact O-N 3.25Å; K171-E173 VanDerWaalsContact C-N 3.34Å; E173-R175 VanDerWaalsContact C-N 3.34Å; E173-R175 PolarHBondContact O-N 2.97Å; E173-L176 WeakPolarHBondContact O-CB 3.3Å; E173-L176 PolarHBondContact O-N 3.41Å; E173-L177 WeakPolarHBondContact O-CG 3.44Å; E173-L177 PolarHBondContact O-N 3.48Å |
| 174 | E | 96.5 | Very high | 96.8 | Very high | 137 Ų | 137 | 92.7 Ų | 92.7 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -44.8 | 173.6 | -173.4 | -170.2 | 169.3 | 0 | 0 | 111.9 | A170 K171 L176 L177 N178 | A170-E174 PolarHBondContact O-N 2.86Å; K171-E174 PolarHBondContact O-N 3.35Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 2.81Å; E174-L177 PolarHBondContact O-N 3.22Å; E174-N178 WeakPolarHBondContact O-CB 3.22Å; E174-N178 PolarHBondContact O-N 3.02Å |
| 175 | R | 96.4 | Very high | 96.9 | Very high | 160 Ų | 160 | 93.6 Ų | 93.6 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -38 | 177.5 | -74.8 | 173.8 | -175.5 | 150.8 | 2 | 112.4 | K171 A172 E173 N178 M179 | K171-R175 WeakPolarHBondContact O-CB 3.24Å; K171-R175 VanDerWaalsContact O-CG 3.28Å; K171-R175 WeakPolarHBondContact O-CG 3.38Å; K171-R175 PolarHBondContact O-N 3.47Å; A172-R175 PolarHBondContact O-N 3.4Å; E173-R175 VanDerWaalsContact C-N 3.34Å; E173-R175 PolarHBondContact O-N 2.97Å; R175-N178 PolarHBondContact O-N 3.26Å; R175-M179 WeakPolarHBondContact O-CB 3.42Å; R175-M179 PolarHBondContact O-N 3.04Å |
| 176 | L | 96.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 90 Ų | 90 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 175.1 | -81.9 | 165 | 0 | 0 | 0 | 110.8 | A172 E173 E174 N178 M179 D180 | A172-L176 WeakPolarHBondContact O-CG 3.48Å; A172-L176 PolarHBondContact O-N 3.41Å; E173-L176 WeakPolarHBondContact O-CB 3.3Å; E173-L176 PolarHBondContact O-N 3.41Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 2.81Å; L176-N178 VanDerWaalsContact C-N 3.3Å; L176-N178 PolarHBondContact O-N 3.47Å; L176-M179 HydrophobicContact CD2-CE 4.16Å; L176-M179 WeakPolarHBondContact O-CB 3.31Å; L176-M179 PolarHBondContact O-N 3.19Å; L176-M179 VanDerWaalsContact O-N 3.14Å; L176-D180 PolarHBondContact O-N 3.31Å |
| 177 | L | 95.8 | Very high | 96.8 | Very high | 116 Ų | 116 | 93.3 Ų | 93.3 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -41.2 | 176.7 | -68.7 | 172.9 | 0 | 0 | 0 | 112.1 | E173 E174 D180 F181 | E173-L177 WeakPolarHBondContact O-CG 3.44Å; E173-L177 PolarHBondContact O-N 3.48Å; E174-L177 PolarHBondContact O-N 3.22Å; L177-D180 PolarHBondContact O-N 3.02Å; L177-F181 PolarHBondContact O-N 2.99Å |
| 178 | N | 96.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 94.2 Ų | 94.2 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 177.2 | -167.4 | 38 | 0 | 0 | 0 | 112.1 | E174 R175 L176 F181 V182 | E174-N178 WeakPolarHBondContact O-CB 3.22Å; E174-N178 PolarHBondContact O-N 3.02Å; R175-N178 PolarHBondContact O-N 3.26Å; L176-N178 VanDerWaalsContact C-N 3.3Å; L176-N178 PolarHBondContact O-N 3.47Å; N178-F181 PolarHBondContact O-N 2.96Å; N178-V182 VanDerWaalsContact O-CG2 3.31Å; N178-V182 WeakPolarHBondContact O-CG2 3.43Å; N178-V182 PolarHBondContact O-N 3.48Å |
| 179 | M | 96.6 | Very high | 96.8 | Very high | 101 Ų | 101 | 94.1 Ų | 94.1 | 50% | 0.498 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174 | -174.7 | -172.1 | 74.3 | 0 | 0 | 111.1 | R175 L176 F181 V182 T183 | R175-M179 WeakPolarHBondContact O-CB 3.42Å; R175-M179 PolarHBondContact O-N 3.04Å; L176-M179 HydrophobicContact CD2-CE 4.16Å; L176-M179 WeakPolarHBondContact O-CB 3.31Å; L176-M179 PolarHBondContact O-N 3.19Å; L176-M179 VanDerWaalsContact O-N 3.14Å; M179-F181 VanDerWaalsContact C-N 3.31Å; M179-F181 PolarHBondContact O-N 3.49Å; M179-V182 PolarHBondContact O-N 3.01Å; M179-T183 HydrophobicContact CG-CG2 4.36Å; M179-T183 WeakPolarHBondContact O-CB 3.41Å; M179-T183 VanDerWaalsContact O-CG2 3.26Å; M179-T183 WeakPolarHBondContact O-CG2 3.36Å; M179-T183 PolarHBondContact O-N 2.88Å; M179-T183 PolarHBondContact O-OG1 3.12Å |
| 180 | D | 96.5 | Very high | 96.9 | Very high | 88 Ų | 88 | 93.3 Ų | 93.3 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.6 | -68.7 | -17.5 | 0 | 0 | 0 | 111.4 | L176 L177 T183 A184 | L176-D180 PolarHBondContact O-N 3.31Å; L177-D180 PolarHBondContact O-N 3.02Å; D180-T183 WeakPolarHBondContact CA-OG1 3.35Å; D180-T183 PolarHBondContact O-OG1 3.23Å; D180-A184 WeakPolarHBondContact O-CB 3.39Å; D180-A184 PolarHBondContact O-N 3.28Å |
| 181 | F | 97 | Very high | 96.9 | Very high | 135 Ų | 135 | 95.1 Ų | 95.1 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -48.3 | 173.8 | 176.8 | -97.9 | 0 | 0 | 0 | 112.5 | L177 N178 M179 T183 A184 K185 | L177-F181 PolarHBondContact O-N 2.99Å; N178-F181 PolarHBondContact O-N 2.96Å; M179-F181 VanDerWaalsContact C-N 3.31Å; M179-F181 PolarHBondContact O-N 3.49Å; F181-T183 PolarHBondContact O-N 3.34Å; F181-A184 PolarHBondContact O-N 2.97Å; F181-K185 WeakPolarHBondContact O-CB 3.37Å; F181-K185 PolarHBondContact O-N 2.93Å |
| 182 | V | 96.9 | Very high | 96.8 | Very high | 81 Ų | 81 | 99.4 Ų | 99.4 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | -179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | N178 M179 K185 A186 | N178-V182 VanDerWaalsContact O-CG2 3.31Å; N178-V182 WeakPolarHBondContact O-CG2 3.43Å; N178-V182 PolarHBondContact O-N 3.48Å; M179-V182 PolarHBondContact O-N 3.01Å; V182-K185 PolarHBondContact O-N 3.11Å; V182-A186 WeakPolarHBondContact O-CB 3.35Å; V182-A186 PolarHBondContact O-N 2.9Å |
| 183 | T | 97.1 | Very high | 96.7 | Very high | 64 Ų | 64 | 102.3 Ų | 102.3 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 177.6 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | M179 D180 F181 K185 A186 Q187 | M179-T183 HydrophobicContact CG-CG2 4.36Å; M179-T183 WeakPolarHBondContact O-CB 3.41Å; M179-T183 VanDerWaalsContact O-CG2 3.26Å; M179-T183 WeakPolarHBondContact O-CG2 3.36Å; M179-T183 PolarHBondContact O-N 2.88Å; M179-T183 PolarHBondContact O-OG1 3.12Å; D180-T183 WeakPolarHBondContact CA-OG1 3.35Å; D180-T183 PolarHBondContact O-OG1 3.23Å; F181-T183 PolarHBondContact O-N 3.34Å; T183-K185 VanDerWaalsContact C-N 3.34Å; T183-K185 PolarHBondContact O-N 3.41Å; T183-A186 PolarHBondContact O-N 2.86Å; T183-Q187 WeakPolarHBondContact O-CG 3.45Å; T183-Q187 PolarHBondContact O-N 3.18Å; T183-Q187 VanDerWaalsContact O-N 3.07Å |
| 184 | A | 97.3 | Very high | 96.7 | Very high | 54 Ų | 54 | 102 Ų | 102 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D180 F181 Q187 E188 | D180-A184 WeakPolarHBondContact O-CB 3.39Å; D180-A184 PolarHBondContact O-N 3.28Å; F181-A184 PolarHBondContact O-N 2.97Å; A184-Q187 PolarHBondContact O-N 3.36Å; A184-E188 PolarHBondContact O-N 3.43Å |
| 185 | K | 97.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 103 Ų | 103 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 178.6 | -167.2 | 68.9 | -170.7 | 169.7 | 0 | 112.6 | F181 V182 T183 Q187 E188 L189 | F181-K185 WeakPolarHBondContact O-CB 3.37Å; F181-K185 PolarHBondContact O-N 2.93Å; V182-K185 PolarHBondContact O-N 3.11Å; T183-K185 VanDerWaalsContact C-N 3.34Å; T183-K185 PolarHBondContact O-N 3.41Å; K185-Q187 VanDerWaalsContact C-N 3.32Å; K185-Q187 PolarHBondContact O-N 3.21Å; K185-E188 WeakPolarHBondContact CD-OE2 3.44Å; K185-E188 VanDerWaalsContact NZ-CD 3.31Å; K185-E188 IonicContact NZ-OE1 3.64Å; K185-E188 PolarHBondContact NZ-OE1 2.98Å; K185-E188 IonicContact NZ-OE2 3.97Å; K185-E188 PolarHBondContact NZ-OE2 2.88Å; K185-E188 PolarHBondContact O-N 3.37Å; K185-L189 HydrophobicContact CG-CD1 4.45Å; K185-L189 WeakPolarHBondContact O-CG 3.39Å; K185-L189 PolarHBondContact O-N 3.28Å |
| 186 | A | 97.2 | Very high | 96.3 | Very high | 57 Ų | 57 | 97.8 Ų | 97.8 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V182 T183 L189 S190 | V182-A186 WeakPolarHBondContact O-CB 3.35Å; V182-A186 PolarHBondContact O-N 2.9Å; T183-A186 PolarHBondContact O-N 2.86Å; A186-L189 PolarHBondContact O-N 2.71Å; A186-S190 WeakPolarHBondContact O-CB 3.43Å; A186-S190 PolarHBondContact O-N 3.12Å |
| 187 | Q | 97.3 | Very high | 96 | Very high | 133 Ų | 133 | 97.5 Ų | 97.5 | 62% | 0.621 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 174.6 | -70.6 | 175.5 | 1.1 | 0 | 0 | 112 | T183 A184 K185 L189 S190 I191 | T183-Q187 WeakPolarHBondContact O-CG 3.45Å; T183-Q187 PolarHBondContact O-N 3.18Å; T183-Q187 VanDerWaalsContact O-N 3.07Å; A184-Q187 PolarHBondContact O-N 3.36Å; K185-Q187 VanDerWaalsContact C-N 3.32Å; K185-Q187 PolarHBondContact O-N 3.21Å; Q187-L189 VanDerWaalsContact C-N 3.34Å; Q187-L189 PolarHBondContact O-N 2.99Å; Q187-S190 PolarHBondContact O-N 3.48Å; Q187-I191 WeakPolarHBondContact O-CG1 3.36Å; Q187-I191 PolarHBondContact O-N 3.21Å |
| 188 | E | 97.3 | Very high | 95.7 | Very high | 98 Ų | 98 | 94.9 Ų | 94.9 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 176.2 | -172.4 | -158.5 | 147.2 | 0 | 0 | 111.6 | A184 K185 I191 R192 | A184-E188 PolarHBondContact O-N 3.43Å; K185-E188 WeakPolarHBondContact CD-OE2 3.44Å; K185-E188 VanDerWaalsContact NZ-CD 3.31Å; K185-E188 IonicContact NZ-OE1 3.64Å; K185-E188 PolarHBondContact NZ-OE1 2.98Å; K185-E188 IonicContact NZ-OE2 3.97Å; K185-E188 PolarHBondContact NZ-OE2 2.88Å; K185-E188 PolarHBondContact O-N 3.37Å; E188-I191 PolarHBondContact O-N 2.9Å; E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 PolarHBondContact O-N 3.36Å |
| 189 | L | 96.8 | Very high | 95.4 | Very high | 91 Ų | 91 | 95.1 Ų | 95.1 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 177.9 | -71.9 | 175.3 | 0 | 0 | 0 | 111.8 | K185 A186 Q187 R192 Q193 | K185-L189 HydrophobicContact CG-CD1 4.45Å; K185-L189 WeakPolarHBondContact O-CG 3.39Å; K185-L189 PolarHBondContact O-N 3.28Å; A186-L189 PolarHBondContact O-N 2.71Å; Q187-L189 VanDerWaalsContact C-N 3.34Å; Q187-L189 PolarHBondContact O-N 2.99Å; L189-R192 PolarHBondContact O-N 3.07Å; L189-Q193 WeakPolarHBondContact O-CB 3.33Å; L189-Q193 PolarHBondContact O-N 3.43Å |
| 190 | S | 97.3 | Very high | 94.9 | Very high | 54 Ų | 54 | 94.6 Ų | 94.6 | 38% | 0.378 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | A186 Q187 R192 Q193 Q194 | A186-S190 WeakPolarHBondContact O-CB 3.43Å; A186-S190 PolarHBondContact O-N 3.12Å; Q187-S190 PolarHBondContact O-N 3.48Å; S190-R192 VanDerWaalsContact C-N 3.33Å; S190-R192 PolarHBondContact O-N 3.22Å; S190-Q193 PolarHBondContact O-N 2.68Å; S190-Q194 WeakPolarHBondContact O-CG 3.28Å; S190-Q194 PolarHBondContact O-N 3.28Å |
| 191 | I | 96.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 95.6 Ų | 95.6 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 175.6 | -66.9 | 164.7 | 0 | 0 | 0 | 110.8 | Q187 E188 Q194 R195 | Q187-I191 WeakPolarHBondContact O-CG1 3.36Å; Q187-I191 PolarHBondContact O-N 3.21Å; E188-I191 PolarHBondContact O-N 2.9Å; I191-Q194 PolarHBondContact O-N 3.37Å; I191-R195 WeakPolarHBondContact O-CB 3.18Å; I191-R195 PolarHBondContact O-N 2.99Å |
| 192 | R | 96.7 | Very high | 93.8 | Very high | 172 Ų | 172 | 93.4 Ų | 93.4 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 177.6 | -174.8 | 177.5 | -179.4 | 177.1 | -0.1 | 111.7 | E188 L189 S190 R195 S196 | E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 PolarHBondContact O-N 3.36Å; L189-R192 PolarHBondContact O-N 3.07Å; S190-R192 VanDerWaalsContact C-N 3.33Å; S190-R192 PolarHBondContact O-N 3.22Å; R192-R195 PolarHBondContact O-N 3.47Å; R192-S196 PolarHBondContact O-N 2.91Å; R192-S196 PolarHBondContact O-OG 2.92Å |
| 193 | Q | 94.5 | Very high | 93.2 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -52.8 | 175.4 | -179.5 | -176.9 | -9 | 0 | 0 | 110.3 | L189 S190 R195 S196 E197 | L189-Q193 WeakPolarHBondContact O-CB 3.33Å; L189-Q193 PolarHBondContact O-N 3.43Å; S190-Q193 PolarHBondContact O-N 2.68Å; Q193-R195 VanDerWaalsContact C-N 3.25Å; Q193-R195 PolarHBondContact O-N 3.27Å; Q193-S196 WeakPolarHBondContact CA-OG 3.36Å; Q193-S196 CarbonylContact O-C 3.58Å; Q193-S196 WeakPolarHBondContact O-CA 3.44Å; Q193-S196 PolarHBondContact O-N 2.9Å; Q193-S196 PolarHBondContact O-OG 2.7Å; Q193-E197 HydrophobicContact CG-CG 4.35Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.44Å; Q193-E197 PolarHBondContact NE2-OE1 3.34Å; Q193-E197 WeakPolarHBondContact O-CG 3.48Å; Q193-E197 PolarHBondContact O-N 3.39Å |
| 194 | Q | 95.2 | Very high | 92.2 | Very high | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.4 | -41.6 | 177 | -74.5 | 177.8 | -3.7 | 0 | 0 | 112 | S190 I191 E197 A198 | S190-Q194 WeakPolarHBondContact O-CG 3.28Å; S190-Q194 PolarHBondContact O-N 3.28Å; I191-Q194 PolarHBondContact O-N 3.37Å; Q194-E197 PolarHBondContact O-N 2.66Å; Q194-A198 WeakPolarHBondContact O-CB 3.45Å; Q194-A198 PolarHBondContact O-N 3.02Å |
| 195 | R | 94.4 | Very high | 91 | Very high | 159 Ų | 159 | 104.4 Ų | 104.4 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 174.9 | -173.2 | -175.8 | -63.9 | 159.9 | 1.3 | 111.9 | I191 R192 Q193 A198 Q199 | I191-R195 WeakPolarHBondContact O-CB 3.18Å; I191-R195 PolarHBondContact O-N 2.99Å; R192-R195 PolarHBondContact O-N 3.47Å; Q193-R195 VanDerWaalsContact C-N 3.25Å; Q193-R195 PolarHBondContact O-N 3.27Å; R195-A198 PolarHBondContact O-N 3.29Å; R195-Q199 WeakPolarHBondContact O-CG 3.13Å; R195-Q199 PolarHBondContact O-N 2.96Å |
| 196 | S | 90.8 | Very high | 89.7 | Confident | 51 Ų | 51 | 105.6 Ų | 105.6 | 36% | 0.357 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | R192 Q193 Q199 L200 | R192-S196 PolarHBondContact O-N 2.91Å; R192-S196 PolarHBondContact O-OG 2.92Å; Q193-S196 WeakPolarHBondContact CA-OG 3.36Å; Q193-S196 CarbonylContact O-C 3.58Å; Q193-S196 WeakPolarHBondContact O-CA 3.44Å; Q193-S196 PolarHBondContact O-N 2.9Å; Q193-S196 PolarHBondContact O-OG 2.7Å; S196-Q199 WeakPolarHBondContact O-CB 3.39Å; S196-Q199 PolarHBondContact O-N 2.86Å; S196-L200 WeakPolarHBondContact O-CG 3.47Å; S196-L200 PolarHBondContact O-N 3.42Å |
| 197 | E | 89.8 | Confident | 88.5 | Confident | 92 Ų | 92 | 111.5 Ų | 111.5 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -46 | 174.4 | -73.9 | 173.8 | 179.9 | 0 | 0 | 110.8 | Q193 Q194 Q199 L200 V201 | Q193-E197 HydrophobicContact CG-CG 4.35Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.44Å; Q193-E197 PolarHBondContact NE2-OE1 3.34Å; Q193-E197 WeakPolarHBondContact O-CG 3.48Å; Q193-E197 PolarHBondContact O-N 3.39Å; Q194-E197 PolarHBondContact O-N 2.66Å; E197-Q199 VanDerWaalsContact C-N 3.26Å; E197-Q199 PolarHBondContact O-N 3.47Å; E197-L200 PolarHBondContact O-N 2.92Å; E197-L200 VanDerWaalsContact O-N 3.12Å; E197-V201 WeakPolarHBondContact O-CG2 3.3Å; E197-V201 PolarHBondContact O-N 2.93Å |
| 198 | A | 89.9 | Confident | 87.2 | Confident | 60 Ų | 60 | 108.8 Ų | 108.8 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q194 R195 S202 | Q194-A198 WeakPolarHBondContact O-CB 3.45Å; Q194-A198 PolarHBondContact O-N 3.02Å; R195-A198 PolarHBondContact O-N 3.29Å; A198-S202 WeakPolarHBondContact O-CB 3.34Å; A198-S202 PolarHBondContact O-N 2.84Å; A198-S202 PolarHBondContact O-OG 2.93Å |
| 199 | Q | 89.9 | Confident | 85.9 | Confident | 105 Ų | 105 | 108.3 Ų | 108.3 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 173.8 | -75.6 | 176.8 | -1.9 | 0 | 0 | 112.4 | R195 S196 E197 S202 R203 | R195-Q199 WeakPolarHBondContact O-CG 3.13Å; R195-Q199 PolarHBondContact O-N 2.96Å; S196-Q199 WeakPolarHBondContact O-CB 3.39Å; S196-Q199 PolarHBondContact O-N 2.86Å; E197-Q199 VanDerWaalsContact C-N 3.26Å; E197-Q199 PolarHBondContact O-N 3.47Å; Q199-S202 WeakPolarHBondContact CA-OG 3.44Å; Q199-S202 PolarHBondContact O-N 2.93Å; Q199-S202 PolarHBondContact O-OG 3.27Å; Q199-R203 WeakPolarHBondContact O-CG 3.44Å; Q199-R203 PolarHBondContact O-N 2.88Å; Q199-R203 VanDerWaalsContact O-N 3.14Å |
| 200 | L | 86.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 107.4 Ų | 107.4 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.9 | -70.5 | 172.9 | 0 | 0 | 0 | 111.3 | S196 E197 S202 R203 N204 M205 | S196-L200 WeakPolarHBondContact O-CG 3.47Å; S196-L200 PolarHBondContact O-N 3.42Å; E197-L200 PolarHBondContact O-N 2.92Å; E197-L200 VanDerWaalsContact O-N 3.12Å; L200-S202 PolarHBondContact O-N 2.89Å; L200-R203 PolarHBondContact O-N 3.32Å; L200-R203 VanDerWaalsContact O-N 3.17Å; L200-N204 PolarHBondContact O-N 3.47Å; L200-M205 HydrophobicContact CB-CB 4.45Å; L200-M205 HydrophobicContact CD2-CB 4.2Å; L200-M205 HydrophobicContact CD2-CG 4.48Å; L200-M205 PolarHBondContact O-N 3.43Å; L200-M205 VanDerWaalsContact O-N 3.08Å |
| 201 | V | 84.9 | Confident | 84.3 | Confident | 108 Ų | 108 | 112 Ų | 112 | 66% | 0.655 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.7 | -45.2 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | E197 R203 N204 | E197-V201 WeakPolarHBondContact O-CG2 3.3Å; E197-V201 PolarHBondContact O-N 2.93Å; V201-R203 PolarHBondContact O-N 2.94Å; V201-N204 PolarHBondContact O-N 2.81Å |
| 202 | S | 85.6 | Confident | 83.7 | Confident | 89 Ų | 89 | 113.9 Ų | 113.9 | 62% | 0.622 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.6 | -25.9 | 178.1 | 74.5 | 0 | 0 | 0 | 0 | 113.8 | A198 Q199 L200 N204 | A198-S202 WeakPolarHBondContact O-CB 3.34Å; A198-S202 PolarHBondContact O-N 2.84Å; A198-S202 PolarHBondContact O-OG 2.93Å; Q199-S202 WeakPolarHBondContact CA-OG 3.44Å; Q199-S202 PolarHBondContact O-N 2.93Å; Q199-S202 PolarHBondContact O-OG 3.27Å; L200-S202 PolarHBondContact O-N 2.89Å; S202-N204 VanDerWaalsContact C-N 3.32Å |
| 203 | R | 83.9 | Confident | 83 | Confident | 186 Ų | 186 | 106.9 Ų | 106.9 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6.4 | 177 | -69.9 | 178.8 | 176.1 | -174 | -1.1 | 112.9 | Q199 L200 V201 M205 | Q199-R203 WeakPolarHBondContact O-CG 3.44Å; Q199-R203 PolarHBondContact O-N 2.88Å; Q199-R203 VanDerWaalsContact O-N 3.14Å; L200-R203 PolarHBondContact O-N 3.32Å; L200-R203 VanDerWaalsContact O-N 3.17Å; V201-R203 PolarHBondContact O-N 2.94Å; R203-M205 HydrophobicContact CB-CG 4.08Å; R203-M205 PolarHBondContact O-N 3.48Å; R203-M205 VanDerWaalsContact O-N 3.16Å |
| 204 | N | 78.1 | Confident | 82.6 | Confident | 139 Ų | 139 | 106.2 Ų | 106.2 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 31.3 | -173.1 | -66.3 | -39.8 | 0 | 0 | 0 | 113.1 | L200 V201 S202 D206 | L200-N204 PolarHBondContact O-N 3.47Å; V201-N204 PolarHBondContact O-N 2.81Å; S202-N204 VanDerWaalsContact C-N 3.32Å; N204-D206 VanDerWaalsContact C-N 3.35Å; N204-D206 PolarHBondContact O-N 3.48Å |
| 205 | M | 70.4 | Confident | 82.2 | Confident | 105 Ų | 105 | 103 Ų | 103 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | trans | -79.8 | 85.4 | 174.1 | -74.8 | -81.3 | -164.3 | 0 | 0 | 108.7 | L200 R203 I209 | L200-M205 HydrophobicContact CB-CB 4.45Å; L200-M205 HydrophobicContact CD2-CB 4.2Å; L200-M205 HydrophobicContact CD2-CG 4.48Å; L200-M205 PolarHBondContact O-N 3.43Å; L200-M205 VanDerWaalsContact O-N 3.08Å; R203-M205 HydrophobicContact CB-CG 4.08Å; R203-M205 PolarHBondContact O-N 3.48Å; R203-M205 VanDerWaalsContact O-N 3.16Å; M205-I209 HydrophobicContact SD-CB 4.49Å; M205-I209 HydrophobicContact SD-CG2 4.18Å | ||
| 206 | D | 71.2 | Confident | 81.8 | Confident | 109 Ų | 109 | 99.8 Ų | 99.8 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | trans | -77.8 | 161.2 | 175.7 | -165 | 6.1 | 0 | 0 | 0 | 111.1 | N204 S208 I209 | N204-D206 VanDerWaalsContact C-N 3.35Å; N204-D206 PolarHBondContact O-N 3.48Å; D206-S208 PolarHBondContact O-N 2.93Å; D206-I209 PolarHBondContact O-N 3.36Å | ||
| 207 | K | 70.8 | Confident | 81.6 | Confident | 180 Ų | 180 | 102.6 Ų | 102.6 | 78% | 0.783 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -58.1 | -17.1 | 179.7 | -66.2 | -178.7 | -179.1 | 178.4 | 0 | 113 | I209 T210 | K207-I209 VanDerWaalsContact C-N 3.3Å; K207-I209 PolarHBondContact O-N 3.42Å; K207-T210 WeakPolarHBondContact O-CB 3.45Å; K207-T210 PolarHBondContact O-N 2.98Å; K207-T210 PolarHBondContact O-OG1 3.34Å |
| 208 | S | 70.6 | Confident | 81.4 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 53% | 0.531 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -69.3 | -21.3 | 172.9 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | D206 A213 | D206-S208 PolarHBondContact O-N 2.93Å; S208-A213 VanDerWaalsContact O-CB 3.28Å; S208-A213 WeakPolarHBondContact O-CB 3.34Å |
| 209 | I | 69.9 | Low | 81.4 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 45% | 0.451 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -97.1 | 7.3 | -179.8 | -43.5 | 179.7 | 0 | 0 | 0 | 110.9 | M205 D206 K207 I214 | M205-I209 HydrophobicContact SD-CB 4.49Å; M205-I209 HydrophobicContact SD-CG2 4.18Å; D206-I209 PolarHBondContact O-N 3.36Å; K207-I209 VanDerWaalsContact C-N 3.3Å; K207-I209 PolarHBondContact O-N 3.42Å; I209-I214 HydrophobicContact CG2-CD1 4.31Å; I209-I214 WeakPolarHBondContact O-CD1 3.4Å |
| 210 | T | 79.8 | Confident | 81.3 | Confident | 73 Ų | 73 | 105.3 Ų | 105.3 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -66.4 | 144.8 | 175.1 | -38.9 | 0 | 0 | 0 | 0 | 109.8 | K207 Q212 A213 I214 | K207-T210 WeakPolarHBondContact O-CB 3.45Å; K207-T210 PolarHBondContact O-N 2.98Å; K207-T210 PolarHBondContact O-OG1 3.34Å; T210-Q212 PolarHBondContact O-N 2.89Å; T210-A213 PolarHBondContact O-N 2.89Å; T210-I214 PolarHBondContact O-N 3.16Å |
| 211 | H | 81.6 | Confident | 81.3 | Confident | 150 Ų | 150 | 104.5 Ų | 104.5 | 69% | 0.694 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -47.1 | -43.1 | 177.4 | 177.4 | -85.7 | 0 | 0 | 0 | 112.3 | A213 I214 V215 | H211-A213 PolarHBondContact O-N 3.01Å; H211-I214 PolarHBondContact O-N 3.05Å; H211-V215 WeakPolarHBondContact O-CB 3.36Å; H211-V215 VanDerWaalsContact O-CG2 3.25Å; H211-V215 WeakPolarHBondContact O-CG2 3.28Å; H211-V215 PolarHBondContact O-N 3.43Å |
| 212 | Q | 83.6 | Confident | 81.4 | Confident | 134 Ų | 134 | 100.5 Ų | 100.5 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 177.6 | -175.1 | 172.1 | 0.3 | 0 | 0 | 113.4 | T210 V215 Q216 | T210-Q212 PolarHBondContact O-N 2.89Å; Q212-V215 PolarHBondContact O-N 2.97Å; Q212-Q216 WeakPolarHBondContact O-CG 3.26Å; Q212-Q216 PolarHBondContact O-N 2.86Å |
| 213 | A | 82.8 | Confident | 81.5 | Confident | 25 Ų | 25 | 98.9 Ų | 98.9 | 21% | 0.207 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -70.4 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | S208 T210 H211 Q216 L217 | S208-A213 VanDerWaalsContact O-CB 3.28Å; S208-A213 WeakPolarHBondContact O-CB 3.34Å; T210-A213 PolarHBondContact O-N 2.89Å; H211-A213 PolarHBondContact O-N 3.01Å; A213-Q216 PolarHBondContact O-N 2.93Å; A213-L217 WeakPolarHBondContact O-CB 3.47Å; A213-L217 PolarHBondContact O-N 3.33Å |
| 214 | I | 84.3 | Confident | 81.6 | Confident | 93 Ų | 93 | 94.6 Ų | 94.6 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 174.8 | -63.8 | 171.2 | 0 | 0 | 0 | 110.9 | I209 T210 H211 L217 S218 | I209-I214 HydrophobicContact CG2-CD1 4.31Å; I209-I214 WeakPolarHBondContact O-CD1 3.4Å; T210-I214 PolarHBondContact O-N 3.16Å; H211-I214 PolarHBondContact O-N 3.05Å; I214-L217 PolarHBondContact O-N 3.38Å; I214-S218 WeakPolarHBondContact O-CB 3.42Å; I214-S218 PolarHBondContact O-N 3.41Å |
| 215 | V | 87.2 | Confident | 81.9 | Confident | 49 Ų | 49 | 93.6 Ų | 93.6 | 30% | 0.297 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 176 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | H211 Q212 L217 S218 E219 | H211-V215 WeakPolarHBondContact O-CB 3.36Å; H211-V215 VanDerWaalsContact O-CG2 3.25Å; H211-V215 WeakPolarHBondContact O-CG2 3.28Å; H211-V215 PolarHBondContact O-N 3.43Å; Q212-V215 PolarHBondContact O-N 2.97Å; V215-L217 PolarHBondContact O-N 3.46Å; V215-S218 PolarHBondContact O-N 3.17Å; V215-S218 VanDerWaalsContact O-N 3.13Å; V215-S218 PolarHBondContact O-OG 3.31Å; V215-E219 WeakPolarHBondContact O-CG 3.27Å; V215-E219 PolarHBondContact O-N 2.85Å |
| 216 | Q | 87.5 | Confident | 82.5 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -46 | 176.8 | -74.1 | 173.9 | -12.7 | 0 | 0 | 112.3 | Q212 A213 S218 E219 E220 | Q212-Q216 WeakPolarHBondContact O-CG 3.26Å; Q212-Q216 PolarHBondContact O-N 2.86Å; A213-Q216 PolarHBondContact O-N 2.93Å; Q216-S218 VanDerWaalsContact C-N 3.29Å; Q216-S218 PolarHBondContact O-N 2.9Å; Q216-E219 WeakPolarHBondContact O-CB 3.47Å; Q216-E219 PolarHBondContact O-N 3.08Å; Q216-E220 WeakPolarHBondContact O-CG 3.39Å; Q216-E220 PolarHBondContact O-N 2.87Å |
| 217 | L | 85.4 | Confident | 83.1 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -37.3 | 177.3 | -157.8 | 83.1 | 0 | 0 | 0 | 111.8 | A213 I214 V215 E220 V221 | A213-L217 WeakPolarHBondContact O-CB 3.47Å; A213-L217 PolarHBondContact O-N 3.33Å; I214-L217 PolarHBondContact O-N 3.38Å; V215-L217 PolarHBondContact O-N 3.46Å; L217-E220 PolarHBondContact O-N 3.39Å; L217-V221 WeakPolarHBondContact O-CB 3.47Å; L217-V221 VanDerWaalsContact O-CG2 3.26Å; L217-V221 WeakPolarHBondContact O-CG2 3.43Å; L217-V221 PolarHBondContact O-N 3.01Å |
| 218 | S | 86.1 | Confident | 83.7 | Confident | 71 Ų | 71 | 91 Ų | 91 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 176.7 | 78.8 | 0 | 0 | 0 | 0 | 112.4 | I214 V215 Q216 G222 | I214-S218 WeakPolarHBondContact O-CB 3.42Å; I214-S218 PolarHBondContact O-N 3.41Å; V215-S218 PolarHBondContact O-N 3.17Å; V215-S218 VanDerWaalsContact O-N 3.13Å; V215-S218 PolarHBondContact O-OG 3.31Å; Q216-S218 VanDerWaalsContact C-N 3.29Å; Q216-S218 PolarHBondContact O-N 2.9Å; S218-G222 PolarHBondContact O-N 3.41Å |
| 219 | E | 89.8 | Confident | 84.1 | Confident | 125 Ų | 125 | 92.7 Ų | 92.7 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 174.5 | -70.9 | 172.3 | 169.5 | 0 | 0 | 110.7 | V215 Q216 G222 A223 | V215-E219 WeakPolarHBondContact O-CG 3.27Å; V215-E219 PolarHBondContact O-N 2.85Å; Q216-E219 WeakPolarHBondContact O-CB 3.47Å; Q216-E219 PolarHBondContact O-N 3.08Å; E219-G222 PolarHBondContact O-N 3.46Å; E219-A223 PolarHBondContact O-N 2.72Å |
| 220 | E | 88.1 | Confident | 84.8 | Confident | 117 Ų | 117 | 91.5 Ų | 91.5 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.2 | -73.6 | 177 | -172.8 | 0 | 0 | 112.5 | Q216 L217 G222 A223 L224 | Q216-E220 WeakPolarHBondContact O-CG 3.39Å; Q216-E220 PolarHBondContact O-N 2.87Å; L217-E220 PolarHBondContact O-N 3.39Å; E220-G222 VanDerWaalsContact C-N 3.32Å; E220-G222 PolarHBondContact O-N 3.17Å; E220-A223 PolarHBondContact O-N 2.92Å; E220-L224 WeakPolarHBondContact O-CB 3.29Å; E220-L224 WeakPolarHBondContact O-CG 3.48Å; E220-L224 PolarHBondContact O-N 3.47Å |
| 221 | V | 86.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 93.1 Ų | 93.1 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.6 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L217 L224 Q225 | L217-V221 WeakPolarHBondContact O-CB 3.47Å; L217-V221 VanDerWaalsContact O-CG2 3.26Å; L217-V221 WeakPolarHBondContact O-CG2 3.43Å; L217-V221 PolarHBondContact O-N 3.01Å; V221-L224 PolarHBondContact O-N 3.36Å; V221-Q225 WeakPolarHBondContact O-CB 3.25Å; V221-Q225 PolarHBondContact O-N 2.81Å |
| 222 | G | 87.1 | Confident | 84.5 | Confident | 25 Ų | 25 | 92.6 Ų | 92.6 | 26% | 0.258 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S218 E219 E220 Q225 N226 | S218-G222 PolarHBondContact O-N 3.41Å; E219-G222 PolarHBondContact O-N 3.46Å; E220-G222 VanDerWaalsContact C-N 3.32Å; E220-G222 PolarHBondContact O-N 3.17Å; G222-Q225 PolarHBondContact O-N 3.43Å; G222-N226 VanDerWaalsContact O-CG 3.27Å; G222-N226 PolarHBondContact O-N 2.91Å; G222-N226 PolarHBondContact O-ND2 3.3Å |
| 223 | A | 86.3 | Confident | 84.3 | Confident | 55 Ų | 55 | 93.6 Ų | 93.6 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E219 E220 Q225 N226 E227 | E219-A223 PolarHBondContact O-N 2.72Å; E220-A223 PolarHBondContact O-N 2.92Å; A223-Q225 PolarHBondContact O-N 2.94Å; A223-N226 WeakPolarHBondContact O-CB 3.3Å; A223-N226 PolarHBondContact O-N 3.2Å; A223-E227 PolarHBondContact O-N 3.03Å; A223-E227 VanDerWaalsContact O-N 3.11Å |
| 224 | L | 86.9 | Confident | 83.9 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 177 | -75 | 169.5 | 0 | 0 | 0 | 112.4 | E220 V221 N226 E227 I228 | E220-L224 WeakPolarHBondContact O-CB 3.29Å; E220-L224 WeakPolarHBondContact O-CG 3.48Å; E220-L224 PolarHBondContact O-N 3.47Å; V221-L224 PolarHBondContact O-N 3.36Å; L224-N226 VanDerWaalsContact C-N 3.35Å; L224-E227 PolarHBondContact O-N 3.44Å; L224-I228 WeakPolarHBondContact O-CB 3.46Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.39Å; L224-I228 PolarHBondContact O-N 3.1Å |
| 225 | Q | 83.4 | Confident | 83.4 | Confident | 119 Ų | 119 | 99.7 Ų | 99.7 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 173.2 | -87.8 | -175 | -20.5 | 0 | 0 | 111.7 | V221 G222 A223 E227 I228 I229 | V221-Q225 WeakPolarHBondContact O-CB 3.25Å; V221-Q225 PolarHBondContact O-N 2.81Å; G222-Q225 PolarHBondContact O-N 3.43Å; A223-Q225 PolarHBondContact O-N 2.94Å; Q225-E227 PolarHBondContact O-N 3.46Å; Q225-I228 PolarHBondContact O-N 2.91Å; Q225-I229 WeakPolarHBondContact O-CD1 3.06Å; Q225-I229 WeakPolarHBondContact O-CG1 3.5Å; Q225-I229 PolarHBondContact O-N 2.87Å |
| 226 | N | 83.6 | Confident | 82.7 | Confident | 117 Ų | 117 | 103.3 Ų | 103.3 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.5 | -27.7 | 176.2 | -72 | -30.6 | 0 | 0 | 0 | 112.7 | G222 A223 L224 P230 | G222-N226 VanDerWaalsContact O-CG 3.27Å; G222-N226 PolarHBondContact O-N 2.91Å; G222-N226 PolarHBondContact O-ND2 3.3Å; A223-N226 WeakPolarHBondContact O-CB 3.3Å; A223-N226 PolarHBondContact O-N 3.2Å; L224-N226 VanDerWaalsContact C-N 3.35Å; N226-P230 WeakPolarHBondContact O-CD 3.45Å; N226-P230 WeakPolarHBondContact O-CG 3.46Å |
| 227 | E | 84.2 | Confident | 81.9 | Confident | 123 Ų | 123 | 103.2 Ų | 103.2 | 58% | 0.575 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -81.6 | -39.2 | 172.8 | -69.8 | -172.9 | 169.4 | 0 | 0 | 113.5 | A223 L224 Q225 P230 L231 | A223-E227 PolarHBondContact O-N 3.03Å; A223-E227 VanDerWaalsContact O-N 3.11Å; L224-E227 PolarHBondContact O-N 3.44Å; Q225-E227 PolarHBondContact O-N 3.46Å; E227-P230 VanDerWaalsContact O-CD 3.25Å; E227-P230 WeakPolarHBondContact O-CD 3.38Å; E227-P230 VanDerWaalsContact O-CG 3.28Å; E227-P230 WeakPolarHBondContact O-CG 3.41Å; E227-L231 WeakPolarHBondContact O-CD1 3.31Å; E227-L231 WeakPolarHBondContact O-CG 3.4Å; E227-L231 PolarHBondContact O-N 2.56Å |
| 228 | I | 82.3 | Confident | 81 | Confident | 99 Ų | 99 | 105.1 Ų | 105.1 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.2 | -37.6 | -177.8 | -70.5 | 168 | 0 | 0 | 0 | 111.7 | L224 Q225 L231 K232 | L224-I228 WeakPolarHBondContact O-CB 3.46Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.39Å; L224-I228 PolarHBondContact O-N 3.1Å; Q225-I228 PolarHBondContact O-N 2.91Å; I228-L231 PolarHBondContact O-N 3.46Å; I228-K232 VanDerWaalsContact O-CB 3.31Å; I228-K232 WeakPolarHBondContact O-CB 3.41Å; I228-K232 PolarHBondContact O-N 2.6Å |
| 229 | I | 80.6 | Confident | 79.9 | Confident | 111 Ų | 111 | 108.1 Ų | 108.1 | 57% | 0.569 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -53.9 | -52.6 | 179.5 | -70.9 | 163.7 | 0 | 0 | 0 | 112.4 | Q225 K233 | Q225-I229 WeakPolarHBondContact O-CD1 3.06Å; Q225-I229 WeakPolarHBondContact O-CG1 3.5Å; Q225-I229 PolarHBondContact O-N 2.87Å; I229-K233 WeakPolarHBondContact O-CB 3.41Å; I229-K233 PolarHBondContact O-N 2.73Å |
| 230 | P | 82.7 | Confident | 78.8 | Confident | 64 Ų | 64 | 109.2 Ų | 109.2 | 42% | 0.416 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -32.8 | 178 | 25.3 | -33 | 0 | 0 | 0 | 113 | N226 E227 K234 | N226-P230 WeakPolarHBondContact O-CD 3.45Å; N226-P230 WeakPolarHBondContact O-CG 3.46Å; E227-P230 VanDerWaalsContact O-CD 3.25Å; E227-P230 WeakPolarHBondContact O-CD 3.38Å; E227-P230 VanDerWaalsContact O-CG 3.28Å; E227-P230 WeakPolarHBondContact O-CG 3.41Å; P230-K234 WeakPolarHBondContact O-CG 3.48Å; P230-K234 PolarHBondContact O-N 3.44Å |
| 231 | L | 78.9 | Confident | 77.5 | Confident | 107 Ų | 107 | 106.8 Ų | 106.8 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.8 | -42 | 175.4 | -72.2 | 171.5 | 0 | 0 | 0 | 112 | E227 I228 K234 L235 | E227-L231 WeakPolarHBondContact O-CD1 3.31Å; E227-L231 WeakPolarHBondContact O-CG 3.4Å; E227-L231 PolarHBondContact O-N 2.56Å; I228-L231 PolarHBondContact O-N 3.46Å; L231-K234 WeakPolarHBondContact O-CB 3.26Å; L231-K234 PolarHBondContact O-N 3.07Å; L231-L235 PolarHBondContact O-N 3.39Å |
| 232 | K | 77.2 | Confident | 76.2 | Confident | 139 Ų | 139 | 104.4 Ų | 104.4 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.4 | -40.9 | 176 | -163.6 | -179.1 | -179.1 | -172.4 | 0 | 111.2 | I228 K234 L235 E236 | I228-K232 VanDerWaalsContact O-CB 3.31Å; I228-K232 WeakPolarHBondContact O-CB 3.41Å; I228-K232 PolarHBondContact O-N 2.6Å; K232-K234 VanDerWaalsContact C-N 3.28Å; K232-K234 PolarHBondContact O-N 3.1Å; K232-L235 PolarHBondContact O-N 3.1Å; K232-E236 PolarHBondContact O-N 3.23Å |
| 233 | K | 78.6 | Confident | 74.9 | Confident | 155 Ų | 155 | 110 Ų | 110 | 67% | 0.674 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -32 | 173.9 | -164.7 | 176.8 | -175.4 | 178.6 | 0 | 112.8 | I229 P237 | I229-K233 WeakPolarHBondContact O-CB 3.41Å; I229-K233 PolarHBondContact O-N 2.73Å; K233-P237 WeakPolarHBondContact O-CD 3.43Å |
| 234 | K | 75.4 | Confident | 74 | Confident | 151 Ų | 151 | 109.4 Ų | 109.4 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.3 | -30.6 | 171.1 | -76.7 | 178.7 | 179.8 | 179.3 | 0 | 112.8 | P230 L231 K232 P237 Y238 | P230-K234 WeakPolarHBondContact O-CG 3.48Å; P230-K234 PolarHBondContact O-N 3.44Å; L231-K234 WeakPolarHBondContact O-CB 3.26Å; L231-K234 PolarHBondContact O-N 3.07Å; K232-K234 VanDerWaalsContact C-N 3.28Å; K232-K234 PolarHBondContact O-N 3.1Å; K234-P237 WeakPolarHBondContact O-CD 3.41Å; K234-Y238 WeakPolarHBondContact O-CD2 3.44Å; K234-Y238 VanDerWaalsContact O-CE2 3.24Å; K234-Y238 WeakPolarHBondContact O-CE2 3.28Å |
| 235 | L | 73 | Confident | 72.9 | Confident | 95 Ų | 95 | 109.9 Ų | 109.9 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -81.6 | -30.4 | -179.3 | -170.5 | 67.1 | 0 | 0 | 0 | 112.7 | L231 K232 P237 Y238 M239 | L231-L235 PolarHBondContact O-N 3.39Å; K232-L235 PolarHBondContact O-N 3.1Å; L235-P237 VanDerWaalsContact C-CD 3.44Å; L235-Y238 CarbonylContact O-C 3.59Å; L235-Y238 WeakPolarHBondContact O-CA 3.29Å; L235-Y238 WeakPolarHBondContact O-CB 3.29Å; L235-Y238 PolarHBondContact O-N 3.35Å; L235-M239 HydrophobicContact CD2-SD 3.9Å; L235-M239 HydrophobicContact CG-CG 4.4Å; L235-M239 HydrophobicContact CG-SD 3.88Å; L235-M239 PolarHBondContact O-N 2.98Å |
| 236 | E | 72 | Confident | 71.9 | Confident | 125 Ų | 125 | 108 Ų | 108 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -51.2 | -42 | -175.8 | -149.8 | 155.6 | -151.1 | 0 | 0 | 114.7 | K232 Y238 M239 | K232-E236 PolarHBondContact O-N 3.23Å; E236-Y238 PolarHBondContact O-N 3.29Å; E236-M239 PolarHBondContact O-N 2.94Å |
| 237 | P | 70.8 | Confident | 71 | Confident | 90 Ų | 90 | 107 Ų | 107 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -67.1 | -16.9 | 174 | -18.6 | 32.8 | 0 | 0 | 0 | 114.3 | K233 K234 L235 | K233-P237 WeakPolarHBondContact O-CD 3.43Å; K234-P237 WeakPolarHBondContact O-CD 3.41Å; L235-P237 VanDerWaalsContact C-CD 3.44Å |
| 238 | Y | 66.5 | Low | 70 | Confident | 150 Ų | 150 | 101.8 Ų | 101.8 | 59% | 0.588 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -100.2 | -4.3 | -178.5 | -58.4 | -80.5 | 0 | 0 | 0 | 113.4 | K234 L235 E236 D240 L241 | K234-Y238 WeakPolarHBondContact O-CD2 3.44Å; K234-Y238 VanDerWaalsContact O-CE2 3.24Å; K234-Y238 WeakPolarHBondContact O-CE2 3.28Å; L235-Y238 CarbonylContact O-C 3.59Å; L235-Y238 WeakPolarHBondContact O-CA 3.29Å; L235-Y238 WeakPolarHBondContact O-CB 3.29Å; L235-Y238 PolarHBondContact O-N 3.35Å; E236-Y238 PolarHBondContact O-N 3.29Å; Y238-D240 PolarHBondContact O-N 3.35Å; Y238-L241 HydrophobicContact CD1-CD1 3.88Å; Y238-L241 WeakPolarHBondContact O-CB 3.43Å; Y238-L241 PolarHBondContact O-N 3.47Å |
| 239 | M | 64.1 | Low | 69.2 | Low | 134 Ų | 134 | 103.7 Ų | 103.7 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.4 | -178.3 | -65.8 | -68.3 | -86.8 | 0 | 0 | 113.2 | L235 E236 L241 | L235-M239 HydrophobicContact CD2-SD 3.9Å; L235-M239 HydrophobicContact CG-CG 4.4Å; L235-M239 HydrophobicContact CG-SD 3.88Å; L235-M239 PolarHBondContact O-N 2.98Å; E236-M239 PolarHBondContact O-N 2.94Å; M239-L241 VanDerWaalsContact C-N 3.33Å |
| 240 | D | 65.5 | Low | 68.5 | Low | 149 Ų | 149 | 102.2 Ų | 102.2 | 80% | 0.797 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.6 | 174.5 | -65.5 | -28.3 | 0 | 0 | 0 | 112.9 | Y238 | Y238-D240 PolarHBondContact O-N 3.35Š|
| 241 | L | 62.3 | Low | 67.7 | Low | 66 Ų | 66 | 104.5 Ų | 104.5 | 35% | 0.346 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -87.2 | 136.3 | 176.4 | -72.3 | 151.8 | 0 | 0 | 0 | 110 | Y238 M239 A248 I252 | Y238-L241 HydrophobicContact CD1-CD1 3.88Å; Y238-L241 WeakPolarHBondContact O-CB 3.43Å; Y238-L241 PolarHBondContact O-N 3.47Å; M239-L241 VanDerWaalsContact C-N 3.33Å; L241-A248 HydrophobicContact CD2-CB 3.94Å; L241-I252 HydrophobicContact CD2-CD1 4.05Å; L241-I252 HydrophobicContact CD2-CG1 4.18Å |
| 242 | S | 58.6 | Low | 67.2 | Low | 24 Ų | 24 | 103.1 Ų | 103.1 | 17% | 0.168 | 54% | 0.536 | C | S | . | . | trans | -64.2 | 144.1 | 178 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | S244 L247 A248 | S242-S244 PolarHBondContact O-N 2.93Å; S242-L247 VanDerWaalsContact OG-CB 3.23Å; S242-L247 WeakPolarHBondContact OG-CB 3.33Å; S242-A248 PolarHBondContact OG-N 2.87Å | ||
| 243 | P | 60.7 | Low | 66.8 | Low | 142 Ų | 142 | 101 Ų | 101 | 92% | 0.922 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -60.7 | -12 | -174.3 | -24.6 | 33.1 | 0 | 0 | 0 | 116.5 | ||
| 244 | S | 66.5 | Low | 66.3 | Low | 43 Ų | 43 | 98.8 Ų | 98.8 | 30% | 0.301 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -101.3 | 127.3 | 175.4 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | S242 S246 L247 A248 | S242-S244 PolarHBondContact O-N 2.93Å; S244-S246 PolarHBondContact O-N 3.47Å; S244-L247 PolarHBondContact O-N 2.95Å; S244-L247 WeakPolarHBondContact OG-CB 3.17Å; S244-L247 WeakPolarHBondContact OG-CD1 3.15Å; S244-A248 PolarHBondContact O-N 3.5Å; S244-A248 VanDerWaalsContact O-N 3.1Å |
| 245 | P | 64.6 | Low | 66 | Low | 105 Ų | 105 | 94.1 Ų | 94.1 | 68% | 0.682 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -27.8 | -174 | 17.6 | -27.8 | 0 | 0 | 0 | 113.8 | Q249 | P245-Q249 PolarHBondContact O-N 2.92Å |
| 246 | S | 62.8 | Low | 65.8 | Low | 80 Ų | 80 | 95.2 Ų | 95.2 | 56% | 0.559 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.5 | -39.5 | 176.1 | 34.7 | 0 | 0 | 0 | 0 | 113.3 | S244 V250 | S244-S246 PolarHBondContact O-N 3.47Å; S246-V250 WeakPolarHBondContact O-CG2 3Å; S246-V250 PolarHBondContact O-N 2.97Å |
| 247 | L | 64.3 | Low | 65.6 | Low | 96 Ų | 96 | 98.4 Ų | 98.4 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.2 | -31.7 | 173.8 | -94.9 | 97.3 | 0 | 0 | 0 | 112.2 | S242 S244 Q249 V250 K251 | S242-L247 VanDerWaalsContact OG-CB 3.23Å; S242-L247 WeakPolarHBondContact OG-CB 3.33Å; S244-L247 PolarHBondContact O-N 2.95Å; S244-L247 WeakPolarHBondContact OG-CB 3.17Å; S244-L247 WeakPolarHBondContact OG-CD1 3.15Å; L247-Q249 VanDerWaalsContact C-N 3.34Å; L247-V250 PolarHBondContact O-N 3.23Å; L247-K251 PolarHBondContact O-N 3.34Å |
| 248 | A | 62.7 | Low | 65.5 | Low | 13 Ų | 13 | 100.7 Ų | 100.7 | 11% | 0.107 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L241 S242 S244 V250 K251 I252 | L241-A248 HydrophobicContact CD2-CB 3.94Å; S242-A248 PolarHBondContact OG-N 2.87Å; S244-A248 PolarHBondContact O-N 3.5Å; S244-A248 VanDerWaalsContact O-N 3.1Å; A248-V250 PolarHBondContact O-N 3.49Å; A248-K251 PolarHBondContact O-N 2.88Å; A248-I252 WeakPolarHBondContact O-CD1 3.27Å; A248-I252 WeakPolarHBondContact O-CG1 3.34Å; A248-I252 PolarHBondContact O-N 3.22Å |
| 249 | Q | 64.6 | Low | 65.5 | Low | 138 Ų | 138 | 98.5 Ų | 98.5 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -39.5 | 173.7 | -82.3 | 178.8 | -15.5 | 0 | 0 | 112.9 | P245 L247 I252 E253 | P245-Q249 PolarHBondContact O-N 2.92Å; L247-Q249 VanDerWaalsContact C-N 3.34Å; Q249-I252 PolarHBondContact O-N 3.48Å; Q249-E253 PolarHBondContact O-N 3.45Å |
| 250 | V | 67.4 | Low | 65.8 | Low | 80 Ų | 80 | 94.9 Ų | 94.9 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.9 | 175.3 | 0 | 0 | 0 | 0 | 111 | S246 L247 A248 I252 E253 E254 | S246-V250 WeakPolarHBondContact O-CG2 3Å; S246-V250 PolarHBondContact O-N 2.97Å; L247-V250 PolarHBondContact O-N 3.23Å; A248-V250 PolarHBondContact O-N 3.49Å; V250-I252 VanDerWaalsContact C-N 3.34Å; V250-I252 PolarHBondContact O-N 3.09Å; V250-E253 PolarHBondContact O-N 3.34Å; V250-E254 HydrophobicContact CG1-CG 4.46Å; V250-E254 WeakPolarHBondContact O-CG 3.44Å; V250-E254 PolarHBondContact O-N 3.48Å |
| 251 | K | 65.3 | Low | 65.9 | Low | 112 Ų | 112 | 90 Ų | 90 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 176.5 | -77.2 | -167.7 | 174.4 | -172.5 | 0 | 113.3 | L247 A248 A255 | L247-K251 PolarHBondContact O-N 3.34Å; A248-K251 PolarHBondContact O-N 2.88Å; K251-A255 VanDerWaalsContact O-CB 3.3Å; K251-A255 WeakPolarHBondContact O-CB 3.39Å; K251-A255 PolarHBondContact O-N 3.04Å |
| 252 | I | 68.1 | Low | 66.3 | Low | 79 Ų | 79 | 92.1 Ų | 92.1 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 173.5 | -70.2 | 164.7 | 0 | 0 | 0 | 110.5 | L241 A248 Q249 V250 K256 | L241-I252 HydrophobicContact CD2-CD1 4.05Å; L241-I252 HydrophobicContact CD2-CG1 4.18Å; A248-I252 WeakPolarHBondContact O-CD1 3.27Å; A248-I252 WeakPolarHBondContact O-CG1 3.34Å; A248-I252 PolarHBondContact O-N 3.22Å; Q249-I252 PolarHBondContact O-N 3.48Å; V250-I252 VanDerWaalsContact C-N 3.34Å; V250-I252 PolarHBondContact O-N 3.09Å; I252-K256 WeakPolarHBondContact O-CG 3.35Å; I252-K256 PolarHBondContact O-N 3.21Å |
| 253 | E | 68.3 | Low | 66.5 | Low | 94 Ų | 94 | 95.1 Ų | 95.1 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.5 | -35.3 | 176.9 | -75.9 | -62.4 | 133.7 | 0 | 0 | 112.9 | Q249 V250 K256 R257 | Q249-E253 PolarHBondContact O-N 3.45Å; V250-E253 PolarHBondContact O-N 3.34Å; E253-K256 PolarHBondContact O-N 3.11Å; E253-K256 WeakPolarHBondContact OE1-CD 3.46Å; E253-K256 IonicContact OE1-NZ 3.88Å; E253-K256 PolarHBondContact OE1-NZ 3.42Å; E253-R257 WeakPolarHBondContact O-CG 3.44Å; E253-R257 PolarHBondContact O-N 3.49Å |
| 254 | E | 69.5 | Low | 66.7 | Low | 109 Ų | 109 | 91.1 Ų | 91.1 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 171 | -78.1 | 178.5 | 162.8 | 0 | 0 | 111.4 | V250 K256 R257 E258 | V250-E254 HydrophobicContact CG1-CG 4.46Å; V250-E254 WeakPolarHBondContact O-CG 3.44Å; V250-E254 PolarHBondContact O-N 3.48Å; E254-K256 VanDerWaalsContact C-N 3.33Å; E254-K256 PolarHBondContact O-N 2.93Å; E254-R257 CarbonylContact O-C 3.59Å; E254-R257 WeakPolarHBondContact O-CB 3.39Å; E254-R257 PolarHBondContact O-N 3.22Å; E254-R257 VanDerWaalsContact O-N 3.1Å; E254-E258 PolarHBondContact O-N 2.98Å |
| 255 | A | 68.3 | Low | 66.5 | Low | 52 Ų | 52 | 95 Ų | 95 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K251 R257 E258 L259 | K251-A255 VanDerWaalsContact O-CB 3.3Å; K251-A255 WeakPolarHBondContact O-CB 3.39Å; K251-A255 PolarHBondContact O-N 3.04Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 3.31Å; A255-E258 PolarHBondContact O-N 2.81Å; A255-L259 WeakPolarHBondContact O-CB 3.3Å; A255-L259 PolarHBondContact O-N 3.04Å |
| 256 | K | 68.6 | Low | 66.4 | Low | 118 Ų | 118 | 95.4 Ų | 95.4 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 171.6 | -79.6 | -179.3 | -171.5 | 169.7 | 0 | 112.3 | I252 E253 E254 L259 A260 | I252-K256 WeakPolarHBondContact O-CG 3.35Å; I252-K256 PolarHBondContact O-N 3.21Å; E253-K256 PolarHBondContact O-N 3.11Å; E253-K256 WeakPolarHBondContact OE1-CD 3.46Å; E253-K256 IonicContact OE1-NZ 3.88Å; E253-K256 PolarHBondContact OE1-NZ 3.42Å; E254-K256 VanDerWaalsContact C-N 3.33Å; E254-K256 PolarHBondContact O-N 2.93Å; K256-L259 PolarHBondContact O-N 3.43Å; K256-A260 WeakPolarHBondContact O-CB 3.5Å; K256-A260 PolarHBondContact O-N 2.97Å |
| 257 | R | 68.6 | Low | 66.3 | Low | 192 Ų | 192 | 99.2 Ų | 99.2 | 73% | 0.725 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.5 | -38.3 | 175.7 | -78.7 | -179.6 | 176.6 | 178.4 | -0 | 112.2 | E253 E254 A255 S261 | E253-R257 WeakPolarHBondContact O-CG 3.44Å; E253-R257 PolarHBondContact O-N 3.49Å; E254-R257 CarbonylContact O-C 3.59Å; E254-R257 WeakPolarHBondContact O-CB 3.39Å; E254-R257 PolarHBondContact O-N 3.22Å; E254-R257 VanDerWaalsContact O-N 3.1Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 3.31Å; R257-S261 WeakPolarHBondContact O-CB 3.43Å; R257-S261 PolarHBondContact O-N 2.77Å |
| 258 | E | 68.4 | Low | 66.1 | Low | 138 Ų | 138 | 100 Ų | 100 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 173.3 | -75.5 | -169.9 | 165 | 0 | 0 | 112 | E254 A255 S261 L262 | E254-E258 PolarHBondContact O-N 2.98Å; A255-E258 PolarHBondContact O-N 2.81Å; E258-S261 CarbonylContact O-C 3.59Å; E258-S261 WeakPolarHBondContact O-CB 3.24Å; E258-S261 PolarHBondContact O-N 2.85Å; E258-L262 WeakPolarHBondContact O-CB 3.33Å; E258-L262 WeakPolarHBondContact O-CG 2.99Å; E258-L262 PolarHBondContact O-N 3.4Å |
| 259 | L | 66.3 | Low | 65.8 | Low | 104 Ų | 104 | 107.9 Ų | 107.9 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 175.7 | -148.6 | 155 | 0 | 0 | 0 | 110.9 | A255 K256 S261 L262 D263 | A255-L259 WeakPolarHBondContact O-CB 3.3Å; A255-L259 PolarHBondContact O-N 3.04Å; K256-L259 PolarHBondContact O-N 3.43Å; L259-S261 VanDerWaalsContact C-N 3.3Å; L259-S261 PolarHBondContact O-N 3.3Å; L259-L262 PolarHBondContact O-N 2.95Å; L259-L262 VanDerWaalsContact O-N 3.09Å; L259-D263 PolarHBondContact O-N 3.41Å |
| 260 | A | 70.8 | Confident | 65.2 | Low | 59 Ų | 59 | 106.4 Ų | 106.4 | 49% | 0.488 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.7 | -36.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K256 S264 | K256-A260 WeakPolarHBondContact O-CB 3.5Å; K256-A260 PolarHBondContact O-N 2.97Å; A260-S264 WeakPolarHBondContact O-CB 3.02Å; A260-S264 PolarHBondContact O-N 3.35Å |
| 261 | S | 68.3 | Low | 63.7 | Low | 47 Ų | 47 | 110 Ų | 110 | 33% | 0.329 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.9 | -34.2 | 172.3 | 162.9 | 0 | 0 | 0 | 0 | 112.9 | R257 E258 L259 S264 K265 | R257-S261 WeakPolarHBondContact O-CB 3.43Å; R257-S261 PolarHBondContact O-N 2.77Å; E258-S261 CarbonylContact O-C 3.59Å; E258-S261 WeakPolarHBondContact O-CB 3.24Å; E258-S261 PolarHBondContact O-N 2.85Å; L259-S261 VanDerWaalsContact C-N 3.3Å; L259-S261 PolarHBondContact O-N 3.3Å; S261-S264 PolarHBondContact O-OG 3.44Å; S261-K265 WeakPolarHBondContact O-CB 3.44Å; S261-K265 VanDerWaalsContact O-CG 3.29Å; S261-K265 WeakPolarHBondContact O-CG 3.38Å; S261-K265 PolarHBondContact O-N 3Å; S261-K265 VanDerWaalsContact O-N 3.11Å |
| 262 | L | 70.1 | Confident | 62.6 | Low | 110 Ų | 110 | 114 Ų | 114 | 58% | 0.576 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77 | -38.2 | 178.4 | -78 | 169.1 | 0 | 0 | 0 | 110.8 | E258 L259 K265 L266 | E258-L262 WeakPolarHBondContact O-CB 3.33Å; E258-L262 WeakPolarHBondContact O-CG 2.99Å; E258-L262 PolarHBondContact O-N 3.4Å; L259-L262 PolarHBondContact O-N 2.95Å; L259-L262 VanDerWaalsContact O-N 3.09Å; L262-K265 CarbonylContact O-C 3.6Å; L262-K265 PolarHBondContact O-N 3.46Å; L262-L266 WeakPolarHBondContact O-CB 3.26Å; L262-L266 PolarHBondContact O-N 3.27Å |
| 263 | D | 63.6 | Low | 61.3 | Low | 86 Ų | 86 | 123.4 Ų | 123.4 | 46% | 0.46 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.7 | -42.8 | 171.5 | -81 | -18.4 | 0 | 0 | 0 | 111.2 | L259 K265 L266 E267 | L259-D263 PolarHBondContact O-N 3.41Å; D263-K265 VanDerWaalsContact C-N 3.29Å; D263-K265 PolarHBondContact O-N 3Å; D263-L266 CarbonylContact O-C 3.5Å; D263-L266 WeakPolarHBondContact O-CA 3.41Å; D263-L266 WeakPolarHBondContact O-CB 3.46Å; D263-L266 PolarHBondContact O-N 2.95Å; D263-E267 PolarHBondContact O-N 2.99Å |
| 264 | S | 65 | Low | 61 | Low | 59 Ų | 59 | 124.9 Ų | 124.9 | 41% | 0.413 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.4 | -30.2 | 174.9 | 85 | 0 | 0 | 0 | 0 | 112.7 | A260 S261 T268 | A260-S264 WeakPolarHBondContact O-CB 3.02Å; A260-S264 PolarHBondContact O-N 3.35Å; S261-S264 PolarHBondContact O-OG 3.44Å; S264-T268 PolarHBondContact O-N 2.98Å; S264-T268 VanDerWaalsContact O-N 3.17Å; S264-T268 PolarHBondContact O-OG1 3.21Å |
| 265 | K | 61.6 | Low | 60.5 | Low | 123 Ų | 123 | 125.7 Ų | 125.7 | 54% | 0.535 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -75 | -24 | 171.4 | -82.4 | 173.4 | -179.6 | 165.3 | 0 | 112.7 | S261 L262 D263 T268 K269 | S261-K265 WeakPolarHBondContact O-CB 3.44Å; S261-K265 VanDerWaalsContact O-CG 3.29Å; S261-K265 WeakPolarHBondContact O-CG 3.38Å; S261-K265 PolarHBondContact O-N 3Å; S261-K265 VanDerWaalsContact O-N 3.11Å; L262-K265 CarbonylContact O-C 3.6Å; L262-K265 PolarHBondContact O-N 3.46Å; D263-K265 VanDerWaalsContact C-N 3.29Å; D263-K265 PolarHBondContact O-N 3Å; K265-T268 WeakPolarHBondContact CA-OG1 3.47Å; K265-T268 PolarHBondContact O-OG1 2.8Å; K265-K269 WeakPolarHBondContact O-CB 3.34Å; K265-K269 WeakPolarHBondContact O-CG 3.38Å; K265-K269 PolarHBondContact O-N 3.36Å |
| 266 | L | 62.2 | Low | 60.1 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 60% | 0.602 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.7 | -46.4 | 172.2 | -151.2 | 101.9 | 0 | 0 | 0 | 109.6 | L262 D263 T268 K269 V270 | L262-L266 WeakPolarHBondContact O-CB 3.26Å; L262-L266 PolarHBondContact O-N 3.27Å; D263-L266 CarbonylContact O-C 3.5Å; D263-L266 WeakPolarHBondContact O-CA 3.41Å; D263-L266 WeakPolarHBondContact O-CB 3.46Å; D263-L266 PolarHBondContact O-N 2.95Å; L266-T268 VanDerWaalsContact C-N 3.27Å; L266-T268 PolarHBondContact O-N 3.05Å; L266-K269 PolarHBondContact O-N 3.08Å; L266-V270 WeakPolarHBondContact O-CG2 3.16Å; L266-V270 PolarHBondContact O-N 2.88Å |
| 267 | E | 60.3 | Low | 59.6 | Low | 160 Ų | 160 | 130.5 Ų | 130.5 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.1 | -30.4 | 176.2 | -80.2 | 178.3 | 148.3 | 0 | 0 | 113 | D263 | D263-E267 PolarHBondContact O-N 2.99Å |
| 268 | T | 59.9 | Low | 59.1 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 69% | 0.693 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -7.6 | 174.1 | 40.6 | 0 | 0 | 0 | 0 | 114.6 | S264 K265 L266 | S264-T268 PolarHBondContact O-N 2.98Å; S264-T268 VanDerWaalsContact O-N 3.17Å; S264-T268 PolarHBondContact O-OG1 3.21Å; K265-T268 WeakPolarHBondContact CA-OG1 3.47Å; K265-T268 PolarHBondContact O-OG1 2.8Å; L266-T268 VanDerWaalsContact C-N 3.27Å; L266-T268 PolarHBondContact O-N 3.05Å |
| 269 | K | 57.8 | Low | 58.4 | Low | 177 Ų | 177 | 125.9 Ų | 125.9 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 1.3 | 175.3 | -80.6 | -173.7 | 175.7 | -177.5 | 0 | 113.8 | K265 L266 | K265-K269 WeakPolarHBondContact O-CB 3.34Å; K265-K269 WeakPolarHBondContact O-CG 3.38Å; K265-K269 PolarHBondContact O-N 3.36Å; L266-K269 PolarHBondContact O-N 3.08Å |
| 270 | V | 50.5 | Low | 57.9 | Low | 107 Ų | 107 | 127.5 Ų | 127.5 | 65% | 0.648 | 65% | 0.654 | S | S | * | * | trans | -116.1 | 68.3 | 175.2 | -170.9 | 0 | 0 | 0 | 0 | 109 | L266 | L266-V270 WeakPolarHBondContact O-CG2 3.16Å; L266-V270 PolarHBondContact O-N 2.88Å | ||
| 271 | D | 37.3 | Very low | 56.9 | Low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 67% | 0.667 | S | S | * | * | trans | -113.9 | 93.3 | 157 | -122.9 | -13.1 | 0 | 0 | 0 | 105.9 | ||||
| 272 | F | 42.2 | Very low | 56 | Low | 194 Ų | 194 | 139.9 Ų | 139.9 | 85% | 0.851 | 70% | 0.695 | S | S | * | * | trans | -137.3 | 130.2 | 168.5 | -97.3 | -80.3 | 0 | 0 | 0 | 110.1 | ||||
| 273 | K | 41.1 | Very low | 54.7 | Low | 278 Ų | 278 | 142.6 Ų | 142.6 | 100% | 1.209 | 71% | 0.706 | S | S | * | * | trans | -43.3 | 0 | 156.2 | -77 | 171.3 | 168.8 | 172.5 | 0 | 113.3 |
Retrieved 273 of 273 residues in 142.1 ms
(Link to these results)