| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.8 | Very low | 45.6 | Very low | 247 Ų | 247 | 129 Ų | 129 | 100% | 1.217 | 66% | 0.662 | S | S | * | * | 0 | 135.8 | 0 | -70.8 | 167.4 | 171.7 | 0 | 0 | 107.3 | |||||
| 2 | E | 36.5 | Very low | 46.2 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | trans | -89.7 | 141.8 | -161.6 | -63.2 | -168.2 | 106.6 | 0 | 0 | 114.7 | K4 | E2-K4 VanDerWaalsContact C-N 3.27Å; E2-K4 HydrophobicContact CB-CG 4.46Å; E2-K4 PolarHBondContact O-N 3.39Å; E2-K4 WeakPolarHBondContact OE1-CD 3.47Å; E2-K4 WeakPolarHBondContact OE1-CE 3.16Å; E2-K4 IonicContact OE1-NZ 3.91Å; E2-K4 PolarHBondContact OE1-NZ 3.06Å | ||
| 3 | P | 45.9 | Very low | 46.8 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 7.6 | 173.7 | 35 | -36.1 | 0 | 0 | 0 | 114.1 | H5 | P3-H5 VanDerWaalsContact C-N 3.33Å; P3-H5 PolarHBondContact O-N 3.43Å |
| 4 | K | 47.5 | Very low | 48 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.6 | -25.2 | -172 | -69.4 | 177 | -178.6 | 159.2 | 0 | 114.5 | E2 L6 | E2-K4 VanDerWaalsContact C-N 3.27Å; E2-K4 HydrophobicContact CB-CG 4.46Å; E2-K4 PolarHBondContact O-N 3.39Å; E2-K4 WeakPolarHBondContact OE1-CD 3.47Å; E2-K4 WeakPolarHBondContact OE1-CE 3.16Å; E2-K4 IonicContact OE1-NZ 3.91Å; E2-K4 PolarHBondContact OE1-NZ 3.06Å; K4-L6 PolarHBondContact O-N 2.88Å |
| 5 | H | 46 | Very low | 49 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 76% | 0.764 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.5 | -17.3 | -173.5 | -106.6 | -72.6 | 0 | 0 | 0 | 115.4 | P3 | P3-H5 VanDerWaalsContact C-N 3.33Å; P3-H5 PolarHBondContact O-N 3.43Å |
| 6 | L | 41.8 | Very low | 50.1 | Low | 137 Ų | 137 | 122.2 Ų | 122.2 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.6 | -32.4 | 178.1 | -106.2 | 75.8 | 0 | 0 | 0 | 113.2 | K4 S9 M10 | K4-L6 PolarHBondContact O-N 2.88Å; L6-S9 WeakPolarHBondContact O-CB 3.5Å; L6-S9 PolarHBondContact O-N 3.33Å; L6-M10 PolarHBondContact O-N 3.07Å; L6-M10 VanDerWaalsContact O-N 3.1Å |
| 7 | I | 48 | Very low | 51.3 | Low | 104 Ų | 104 | 123.1 Ų | 123.1 | 53% | 0.533 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.2 | -50.7 | -173.7 | -60.5 | 175.8 | 0 | 0 | 0 | 110.1 | S9 M10 D11 | I7-S9 PolarHBondContact O-N 3.35Å; I7-S9 VanDerWaalsContact O-N 3.1Å; I7-M10 WeakPolarHBondContact O-CB 3.46Å; I7-M10 PolarHBondContact O-N 2.95Å; I7-D11 PolarHBondContact O-N 2.93Å |
| 8 | N | 46.3 | Very low | 52.3 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 58% | 0.578 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.6 | -27.5 | 177.1 | -63.8 | 7.5 | 0 | 0 | 0 | 113.5 | Q12 | N8-Q12 WeakPolarHBondContact O-CG 3.39Å; N8-Q12 PolarHBondContact O-N 3.45Å; N8-Q12 VanDerWaalsContact O-N 3.14Å |
| 9 | S | 48.3 | Very low | 53.4 | Low | 62 Ų | 62 | 121.4 Ų | 121.4 | 43% | 0.434 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.6 | -40.4 | 176 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | L6 I7 Q12 F13 | L6-S9 WeakPolarHBondContact O-CB 3.5Å; L6-S9 PolarHBondContact O-N 3.33Å; I7-S9 PolarHBondContact O-N 3.35Å; I7-S9 VanDerWaalsContact O-N 3.1Å; S9-Q12 PolarHBondContact O-N 3.41Å; S9-F13 PolarHBondContact O-N 3.42Å |
| 10 | M | 48.9 | Very low | 54.3 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 62% | 0.621 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63 | -44.8 | 171.6 | -81.9 | -72.6 | 162.6 | 0 | 0 | 111.8 | L6 I7 Q12 F13 I14 | L6-M10 PolarHBondContact O-N 3.07Å; L6-M10 VanDerWaalsContact O-N 3.1Å; I7-M10 WeakPolarHBondContact O-CB 3.46Å; I7-M10 PolarHBondContact O-N 2.95Å; M10-Q12 VanDerWaalsContact C-N 3.35Å; M10-Q12 PolarHBondContact O-N 2.97Å; M10-F13 PolarHBondContact O-N 2.85Å; M10-F13 VanDerWaalsContact O-N 3.13Å; M10-I14 WeakPolarHBondContact O-CB 3.24Å; M10-I14 VanDerWaalsContact O-CG1 3.28Å; M10-I14 WeakPolarHBondContact O-CG1 3.37Å; M10-I14 PolarHBondContact O-N 3.24Å |
| 11 | D | 53.1 | Low | 55.3 | Low | 89 Ų | 89 | 122.3 Ų | 122.3 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.6 | -38.5 | 178.1 | -70.3 | -35.1 | 0 | 0 | 0 | 112.2 | I7 I14 S15 | I7-D11 PolarHBondContact O-N 2.93Å; D11-I14 PolarHBondContact O-N 3.36Å; D11-S15 WeakPolarHBondContact O-CB 3.42Å; D11-S15 PolarHBondContact O-N 3.34Å |
| 12 | Q | 52.1 | Low | 56.6 | Low | 148 Ų | 148 | 113.4 Ų | 113.4 | 69% | 0.692 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.8 | -41.7 | 171.1 | -80 | -171.4 | -19.8 | 0 | 0 | 112.4 | N8 S9 M10 S15 L16 | N8-Q12 WeakPolarHBondContact O-CG 3.39Å; N8-Q12 PolarHBondContact O-N 3.45Å; N8-Q12 VanDerWaalsContact O-N 3.14Å; S9-Q12 PolarHBondContact O-N 3.41Å; M10-Q12 VanDerWaalsContact C-N 3.35Å; M10-Q12 PolarHBondContact O-N 2.97Å; Q12-S15 PolarHBondContact O-N 3.23Å; Q12-L16 VanDerWaalsContact O-CB 3.28Å; Q12-L16 WeakPolarHBondContact O-CB 3.22Å; Q12-L16 PolarHBondContact O-N 3.34Å |
| 13 | F | 54 | Low | 58.3 | Low | 129 Ų | 129 | 113.8 Ų | 113.8 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.8 | -36.6 | 176.6 | -105.7 | -82.4 | 0 | 0 | 0 | 113.3 | S9 M10 K17 | S9-F13 PolarHBondContact O-N 3.42Å; M10-F13 PolarHBondContact O-N 2.85Å; M10-F13 VanDerWaalsContact O-N 3.13Å; F13-K17 WeakPolarHBondContact O-CB 3.45Å; F13-K17 WeakPolarHBondContact O-CG 3.29Å; F13-K17 PolarHBondContact O-N 3.18Å |
| 14 | I | 64.5 | Low | 59.6 | Low | 90 Ų | 90 | 114.2 Ų | 114.2 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.3 | -47.6 | 175.2 | -69.1 | 163.6 | 0 | 0 | 0 | 109.7 | M10 D11 L16 K17 L18 | M10-I14 WeakPolarHBondContact O-CB 3.24Å; M10-I14 VanDerWaalsContact O-CG1 3.28Å; M10-I14 WeakPolarHBondContact O-CG1 3.37Å; M10-I14 PolarHBondContact O-N 3.24Å; D11-I14 PolarHBondContact O-N 3.36Å; I14-L16 PolarHBondContact O-N 2.8Å; I14-K17 PolarHBondContact O-N 3.5Å; I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 HydrophobicContact CG2-CG 4.47Å; I14-L18 WeakPolarHBondContact O-CB 3.38Å; I14-L18 WeakPolarHBondContact O-CG 3.39Å; I14-L18 PolarHBondContact O-N 2.99Å |
| 15 | S | 62.1 | Low | 60.3 | Low | 64 Ų | 64 | 114.6 Ų | 114.6 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.5 | -42.7 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | D11 Q12 K17 L18 L19 | D11-S15 WeakPolarHBondContact O-CB 3.42Å; D11-S15 PolarHBondContact O-N 3.34Å; Q12-S15 PolarHBondContact O-N 3.23Å; S15-K17 PolarHBondContact O-N 2.91Å; S15-L18 PolarHBondContact O-N 3.06Å; S15-L19 WeakPolarHBondContact O-CB 3.45Å; S15-L19 PolarHBondContact O-N 2.76Å |
| 16 | L | 67.2 | Low | 61 | Low | 105 Ų | 105 | 110.6 Ų | 110.6 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 176.9 | -163.9 | 72.6 | 0 | 0 | 0 | 112.3 | Q12 I14 L19 Y20 | Q12-L16 VanDerWaalsContact O-CB 3.28Å; Q12-L16 WeakPolarHBondContact O-CB 3.22Å; Q12-L16 PolarHBondContact O-N 3.34Å; I14-L16 PolarHBondContact O-N 2.8Å; L16-L19 PolarHBondContact O-N 3Å; L16-Y20 PolarHBondContact O-N 2.92Å |
| 17 | K | 70.2 | Confident | 61.7 | Low | 137 Ų | 137 | 107.6 Ų | 107.6 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 172 | -79.9 | -178.6 | 176.3 | -178.7 | 0 | 112.3 | F13 I14 S15 L19 Y20 I21 | F13-K17 WeakPolarHBondContact O-CB 3.45Å; F13-K17 WeakPolarHBondContact O-CG 3.29Å; F13-K17 PolarHBondContact O-N 3.18Å; I14-K17 PolarHBondContact O-N 3.5Å; S15-K17 PolarHBondContact O-N 2.91Å; K17-L19 VanDerWaalsContact C-N 3.33Å; K17-Y20 PolarHBondContact O-N 3.45Å; K17-I21 WeakPolarHBondContact O-CB 3.4Å; K17-I21 WeakPolarHBondContact O-CD1 3.17Å; K17-I21 VanDerWaalsContact O-CG1 3.24Å; K17-I21 WeakPolarHBondContact O-CG1 3.48Å; K17-I21 PolarHBondContact O-N 3.05Å |
| 18 | L | 69.1 | Low | 62 | Low | 107 Ų | 107 | 106 Ų | 106 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -38 | 174.7 | -73.8 | 169 | 0 | 0 | 0 | 111.6 | I14 S15 I21 S22 | I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 HydrophobicContact CG2-CG 4.47Å; I14-L18 WeakPolarHBondContact O-CB 3.38Å; I14-L18 WeakPolarHBondContact O-CG 3.39Å; I14-L18 PolarHBondContact O-N 2.99Å; S15-L18 PolarHBondContact O-N 3.06Å; L18-I21 PolarHBondContact O-N 3.04Å; L18-S22 WeakPolarHBondContact O-CB 3.42Å; L18-S22 PolarHBondContact O-N 3.1Å |
| 19 | L | 73.1 | Confident | 62.2 | Low | 108 Ų | 108 | 103.6 Ų | 103.6 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 170.5 | -84.6 | 162.8 | 0 | 0 | 0 | 112.1 | S15 L16 K17 S22 Y23 | S15-L19 WeakPolarHBondContact O-CB 3.45Å; S15-L19 PolarHBondContact O-N 2.76Å; L16-L19 PolarHBondContact O-N 3Å; K17-L19 VanDerWaalsContact C-N 3.33Å; L19-S22 PolarHBondContact O-N 3.42Å; L19-Y23 VanDerWaalsContact O-CB 3.24Å; L19-Y23 WeakPolarHBondContact O-CB 3.43Å; L19-Y23 PolarHBondContact O-N 3.47Å |
| 20 | Y | 72.7 | Confident | 62.2 | Low | 174 Ų | 174 | 106 Ų | 106 | 68% | 0.682 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.9 | -39.8 | 176.4 | -117.5 | -87 | 0 | 0 | 0 | 112.8 | L16 K17 F24 | L16-Y20 PolarHBondContact O-N 2.92Å; K17-Y20 PolarHBondContact O-N 3.45Å; Y20-F24 WeakPolarHBondContact O-CB 3.49Å; Y20-F24 PolarHBondContact O-N 2.81Å |
| 21 | I | 73.7 | Confident | 62 | Low | 88 Ų | 88 | 106.7 Ų | 106.7 | 45% | 0.451 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 176.3 | -70.1 | 164.2 | 0 | 0 | 0 | 110.3 | K17 L18 F24 F25 | K17-I21 WeakPolarHBondContact O-CB 3.4Å; K17-I21 WeakPolarHBondContact O-CD1 3.17Å; K17-I21 VanDerWaalsContact O-CG1 3.24Å; K17-I21 WeakPolarHBondContact O-CG1 3.48Å; K17-I21 PolarHBondContact O-N 3.05Å; L18-I21 PolarHBondContact O-N 3.04Å; I21-F24 PolarHBondContact O-N 3.2Å; I21-F25 HydrophobicContact CG2-CD2 3.7Å; I21-F25 HydrophobicContact CG2-CE2 3.76Å; I21-F25 VanDerWaalsContact O-CD2 3.32Å; I21-F25 WeakPolarHBondContact O-CD2 3.24Å; I21-F25 PolarHBondContact O-N 3.48Å |
| 22 | S | 68.6 | Low | 61.4 | Low | 60 Ų | 60 | 107.8 Ų | 107.8 | 42% | 0.42 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.9 | -50.4 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | L18 L19 F24 F25 I26 | L18-S22 WeakPolarHBondContact O-CB 3.42Å; L18-S22 PolarHBondContact O-N 3.1Å; L19-S22 PolarHBondContact O-N 3.42Å; S22-F24 VanDerWaalsContact C-N 3.31Å; S22-F24 PolarHBondContact O-N 3.13Å; S22-F25 PolarHBondContact O-N 3Å; S22-I26 WeakPolarHBondContact O-CB 3.33Å; S22-I26 VanDerWaalsContact O-CG1 3.25Å; S22-I26 WeakPolarHBondContact O-CG1 3.49Å; S22-I26 PolarHBondContact O-N 3.1Å |
| 23 | Y | 72.3 | Confident | 60.9 | Low | 144 Ų | 144 | 103.4 Ų | 103.4 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63 | -35.7 | 177.5 | -166.9 | -112.8 | 0 | 0 | 0 | 112.3 | L19 I26 L27 | L19-Y23 VanDerWaalsContact O-CB 3.24Å; L19-Y23 WeakPolarHBondContact O-CB 3.43Å; L19-Y23 PolarHBondContact O-N 3.47Å; Y23-I26 PolarHBondContact O-N 2.86Å; Y23-L27 HydrophobicContact CD1-CD1 3.76Å; Y23-L27 HydrophobicContact CD1-CG 4.44Å; Y23-L27 HydrophobicContact CE1-CD1 3.56Å; Y23-L27 HydrophobicContact CE1-CG 4.27Å; Y23-L27 WeakPolarHBondContact O-CB 3.42Å; Y23-L27 VanDerWaalsContact O-CG 3.3Å; Y23-L27 WeakPolarHBondContact O-CG 3.22Å; Y23-L27 PolarHBondContact O-N 2.71Å |
| 24 | F | 71.8 | Confident | 60.6 | Low | 122 Ų | 122 | 101.1 Ų | 101.1 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 173.6 | -171.4 | -101.9 | 0 | 0 | 0 | 112.4 | Y20 I21 S22 L27 L28 | Y20-F24 WeakPolarHBondContact O-CB 3.49Å; Y20-F24 PolarHBondContact O-N 2.81Å; I21-F24 PolarHBondContact O-N 3.2Å; S22-F24 VanDerWaalsContact C-N 3.31Å; S22-F24 PolarHBondContact O-N 3.13Å; F24-L27 PolarHBondContact O-N 2.94Å; F24-L28 HydrophobicContact CD1-CD1 3.98Å; F24-L28 HydrophobicContact CD1-CD2 4.31Å; F24-L28 HydrophobicContact CD2-CD1 4.11Å; F24-L28 HydrophobicContact CE1-CD1 3.65Å; F24-L28 HydrophobicContact CE1-CD2 3.75Å; F24-L28 HydrophobicContact CE1-CG 4.35Å; F24-L28 HydrophobicContact CE2-CD1 3.79Å; F24-L28 HydrophobicContact CG-CD1 4.21Å; F24-L28 HydrophobicContact CZ-CD1 3.55Å; F24-L28 HydrophobicContact CZ-CD2 4.26Å; F24-L28 WeakPolarHBondContact O-CB 3.35Å; F24-L28 WeakPolarHBondContact O-CD1 3.39Å; F24-L28 PolarHBondContact O-N 2.64Å |
| 25 | F | 62.3 | Low | 59.9 | Low | 140 Ų | 140 | 98.7 Ų | 98.7 | 61% | 0.614 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.6 | -32.2 | 172.6 | -86.5 | -67.8 | 0 | 0 | 0 | 112.8 | I21 S22 S29 | I21-F25 HydrophobicContact CG2-CD2 3.7Å; I21-F25 HydrophobicContact CG2-CE2 3.76Å; I21-F25 VanDerWaalsContact O-CD2 3.32Å; I21-F25 WeakPolarHBondContact O-CD2 3.24Å; I21-F25 PolarHBondContact O-N 3.48Å; S22-F25 PolarHBondContact O-N 3Å; F25-S29 VanDerWaalsContact O-CB 3.31Å; F25-S29 WeakPolarHBondContact O-CB 3.2Å; F25-S29 PolarHBondContact O-N 2.66Å; F25-S29 PolarHBondContact O-OG 3.07Å |
| 26 | I | 61.2 | Low | 59.3 | Low | 81 Ų | 81 | 104 Ų | 104 | 42% | 0.415 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -49 | 171.1 | -71.3 | 163.6 | 0 | 0 | 0 | 109.6 | S22 Y23 L28 S29 I30 | S22-I26 WeakPolarHBondContact O-CB 3.33Å; S22-I26 VanDerWaalsContact O-CG1 3.25Å; S22-I26 WeakPolarHBondContact O-CG1 3.49Å; S22-I26 PolarHBondContact O-N 3.1Å; Y23-I26 PolarHBondContact O-N 2.86Å; I26-L28 PolarHBondContact O-N 2.66Å; I26-S29 WeakPolarHBondContact CA-OG 3.42Å; I26-S29 PolarHBondContact O-N 3.19Å; I26-S29 PolarHBondContact O-OG 2.99Å; I26-I30 HydrophobicContact CG2-CD1 3.74Å; I26-I30 WeakPolarHBondContact O-CB 3.49Å; I26-I30 WeakPolarHBondContact O-CD1 3.31Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 3.47Å |
| 27 | L | 56.4 | Low | 58.6 | Low | 73 Ų | 73 | 104.5 Ų | 104.5 | 38% | 0.382 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.6 | -74.1 | 171.8 | 0 | 0 | 0 | 113.1 | Y23 F24 N31 | Y23-L27 HydrophobicContact CD1-CD1 3.76Å; Y23-L27 HydrophobicContact CD1-CG 4.44Å; Y23-L27 HydrophobicContact CE1-CD1 3.56Å; Y23-L27 HydrophobicContact CE1-CG 4.27Å; Y23-L27 WeakPolarHBondContact O-CB 3.42Å; Y23-L27 VanDerWaalsContact O-CG 3.3Å; Y23-L27 WeakPolarHBondContact O-CG 3.22Å; Y23-L27 PolarHBondContact O-N 2.71Å; F24-L27 PolarHBondContact O-N 2.94Å; L27-N31 PolarHBondContact O-N 2.94Å |
| 28 | L | 54.8 | Low | 58.5 | Low | 70 Ų | 70 | 98.2 Ų | 98.2 | 37% | 0.366 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 175.5 | -100.1 | 65.1 | 0 | 0 | 0 | 111.9 | F24 I26 N31 T32 | F24-L28 HydrophobicContact CD1-CD1 3.98Å; F24-L28 HydrophobicContact CD1-CD2 4.31Å; F24-L28 HydrophobicContact CD2-CD1 4.11Å; F24-L28 HydrophobicContact CE1-CD1 3.65Å; F24-L28 HydrophobicContact CE1-CD2 3.75Å; F24-L28 HydrophobicContact CE1-CG 4.35Å; F24-L28 HydrophobicContact CE2-CD1 3.79Å; F24-L28 HydrophobicContact CG-CD1 4.21Å; F24-L28 HydrophobicContact CZ-CD1 3.55Å; F24-L28 HydrophobicContact CZ-CD2 4.26Å; F24-L28 WeakPolarHBondContact O-CB 3.35Å; F24-L28 WeakPolarHBondContact O-CD1 3.39Å; F24-L28 PolarHBondContact O-N 2.64Å; I26-L28 PolarHBondContact O-N 2.66Å; L28-N31 CarbonylContact O-C 3.54Å; L28-N31 PolarHBondContact O-N 2.93Å; L28-N31 VanDerWaalsContact O-N 3.14Å; L28-T32 WeakPolarHBondContact O-CB 3.32Å; L28-T32 PolarHBondContact O-N 3.41Å; L28-T32 PolarHBondContact O-OG1 3.46Å |
| 29 | S | 50.3 | Low | 58.8 | Low | 58 Ų | 58 | 94.6 Ų | 94.6 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | F25 I26 N31 T32 S33 | F25-S29 VanDerWaalsContact O-CB 3.31Å; F25-S29 WeakPolarHBondContact O-CB 3.2Å; F25-S29 PolarHBondContact O-N 2.66Å; F25-S29 PolarHBondContact O-OG 3.07Å; I26-S29 WeakPolarHBondContact CA-OG 3.42Å; I26-S29 PolarHBondContact O-N 3.19Å; I26-S29 PolarHBondContact O-OG 2.99Å; S29-N31 VanDerWaalsContact C-N 3.31Å; S29-N31 PolarHBondContact O-N 3.49Å; S29-T32 PolarHBondContact O-N 3.07Å; S29-S33 WeakPolarHBondContact O-CB 3.39Å; S29-S33 PolarHBondContact O-N 2.94Å; S29-S33 PolarHBondContact O-OG 3.5Å |
| 30 | I | 49 | Very low | 59.1 | Low | 113 Ų | 113 | 94.5 Ų | 94.5 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.9 | -41.3 | 168.6 | -69.9 | 163.1 | 0 | 0 | 0 | 111 | I26 | I26-I30 HydrophobicContact CG2-CD1 3.74Å; I26-I30 WeakPolarHBondContact O-CB 3.49Å; I26-I30 WeakPolarHBondContact O-CD1 3.31Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 3.47Å |
| 31 | N | 42.9 | Very low | 59.5 | Low | 141 Ų | 141 | 91.1 Ų | 91.1 | 75% | 0.754 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -85 | -4.4 | 178.9 | -91.5 | -14.7 | 0 | 0 | 0 | 115.7 | L27 L28 S29 | L27-N31 PolarHBondContact O-N 2.94Å; L28-N31 CarbonylContact O-C 3.54Å; L28-N31 PolarHBondContact O-N 2.93Å; L28-N31 VanDerWaalsContact O-N 3.14Å; S29-N31 VanDerWaalsContact C-N 3.31Å; S29-N31 PolarHBondContact O-N 3.49Å |
| 32 | T | 41.2 | Very low | 59.9 | Low | 112 Ų | 112 | 91 Ų | 91 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -134.9 | 21.3 | -173.7 | 59.6 | 0 | 0 | 0 | 0 | 115.2 | L28 S29 | L28-T32 WeakPolarHBondContact O-CB 3.32Å; L28-T32 PolarHBondContact O-N 3.41Å; L28-T32 PolarHBondContact O-OG1 3.46Å; S29-T32 PolarHBondContact O-N 3.07Å |
| 33 | S | 41.1 | Very low | 60.5 | Low | 56 Ų | 56 | 93.1 Ų | 93.1 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | trans | -131.5 | 24.6 | 178.9 | 66.1 | 0 | 0 | 0 | 0 | 115 | S29 I35 K36 | S29-S33 WeakPolarHBondContact O-CB 3.39Å; S29-S33 PolarHBondContact O-N 2.94Å; S29-S33 PolarHBondContact O-OG 3.5Å; S33-I35 PolarHBondContact O-N 2.86Å; S33-K36 PolarHBondContact O-N 3.27Å | ||
| 34 | S | 48.4 | Very low | 60.8 | Low | 81 Ų | 81 | 90.4 Ų | 90.4 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -15.1 | -160.7 | -167.6 | 0 | 0 | 0 | 0 | 119.7 | ||
| 35 | I | 50.6 | Low | 61.1 | Low | 39 Ų | 39 | 91.3 Ų | 91.3 | 20% | 0.2 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -35.1 | -174.9 | -57.1 | 179.6 | 0 | 0 | 0 | 112.2 | S33 C37 A38 P62 D65 | S33-I35 PolarHBondContact O-N 2.86Å; I35-C37 PolarHBondContact O-N 3.14Å; I35-C37 VanDerWaalsContact O-N 3.11Å; I35-A38 WeakPolarHBondContact O-CB 3.49Å; I35-A38 PolarHBondContact O-N 3.28Å; I35-P62 HydrophobicContact CD1-CG 3.37Å; I35-D65 HydrophobicContact CG2-CB 3.89Å; I35-D65 WeakPolarHBondContact CG2-OD2 3.48Å |
| 36 | K | 49.6 | Very low | 61.7 | Low | 175 Ų | 175 | 92.5 Ų | 92.5 | 76% | 0.761 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.6 | 175.3 | -72.6 | -172.3 | 174.6 | -178.7 | 0 | 114.2 | S33 | S33-K36 PolarHBondContact O-N 3.27Š|
| 37 | C | 51.7 | Low | 62.6 | Low | 116 Ų | 116 | 95.4 Ų | 95.4 | 78% | 0.784 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 0 | 173 | -146.7 | 0 | 0 | 0 | 0 | 113.3 | I35 | I35-C37 PolarHBondContact O-N 3.14Å; I35-C37 VanDerWaalsContact O-N 3.11Å |
| 38 | A | 67.2 | Low | 63.8 | Low | 5 Ų | 5 | 92.7 Ų | 92.7 | 4% | 0.041 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -22.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I35 C52 Q53 T55 | I35-A38 WeakPolarHBondContact O-CB 3.49Å; I35-A38 PolarHBondContact O-N 3.28Å; A38-C52 WeakPolarHBondContact O-CA 3.42Å; A38-Q53 PolarHBondContact O-N 2.97Å; A38-T55 WeakPolarHBondContact CA-OG1 3.43Å; A38-T55 VanDerWaalsContact CB-OG1 3.27Å; A38-T55 WeakPolarHBondContact CB-OG1 3.24Å |
| 39 | C | 75.6 | Confident | 65.2 | Low | 30 Ų | 30 | 89.5 Ų | 89.5 | 20% | 0.203 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131 | -176.1 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | L50 F51 C52 | C39-L50 HydrophobicContact CB-CD1 3.72Å; C39-L50 HydrophobicContact CB-CD2 4.25Å; C39-L50 HydrophobicContact CB-CG 3.89Å; C39-F51 CarbonylContact C-O 3.23Å; C39-F51 WeakPolarHBondContact CA-O 3.06Å; C39-C52 HydrophobicContact CB-CB 4.09Å; C39-C52 WeakPolarHBondContact CB-SG 3.47Å; C39-C52 WeakPolarHBondContact SG-CB 3.49Å; C39-C52 CovalentContact SG-SG 2.04Å; C39-C52 PolarHBondContact SG-SG 3.03Å |
| 40 | L | 79.4 | Confident | 66.9 | Low | 106 Ų | 106 | 87 Ų | 87 | 56% | 0.555 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.6 | 168.6 | 177.7 | 67.7 | 0 | 0 | 0 | 109.5 | L42 F51 | L40-L42 HydrophobicContact CD1-CD2 4.46Å; L40-L42 HydrophobicContact CD2-CD1 4.25Å; L40-L42 HydrophobicContact CD2-CD2 4.23Å; L40-L42 HydrophobicContact CD2-CG 4.18Å; L40-L42 HydrophobicContact CG-CD2 4.23Å; L40-L42 HydrophobicContact CG-CG 4.17Å; L40-F51 HydrophobicContact CB-CB 4.4Å; L40-F51 PolarHBondContact N-O 3.11Å; L40-F51 PolarHBondContact O-N 2.96Å |
| 41 | Q | 81.8 | Confident | 68.6 | Low | 104 Ų | 104 | 85.7 Ų | 85.7 | 49% | 0.486 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.9 | 169 | -177.3 | -177.4 | -19.4 | 0 | 0 | 110 | V49 L50 P67 | Q41-V49 WeakPolarHBondContact CA-O 3.28Å; Q41-L50 HydrophobicContact CB-CD1 4.04Å; Q41-P67 HydrophobicContact CG-CG 4.35Å; Q41-P67 VanDerWaalsContact OE1-CG 3.23Å |
| 42 | L | 80.8 | Confident | 70.4 | Confident | 84 Ų | 84 | 79.2 Ų | 79.2 | 44% | 0.44 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 172 | 168.2 | -63.7 | -179.2 | 0 | 0 | 0 | 109.8 | L40 P48 V49 F51 | L40-L42 HydrophobicContact CD1-CD2 4.46Å; L40-L42 HydrophobicContact CD2-CD1 4.25Å; L40-L42 HydrophobicContact CD2-CD2 4.23Å; L40-L42 HydrophobicContact CD2-CG 4.18Å; L40-L42 HydrophobicContact CG-CD2 4.23Å; L40-L42 HydrophobicContact CG-CG 4.17Å; L42-P48 WeakPolarHBondContact O-CA 3.43Å; L42-V49 PolarHBondContact N-O 2.6Å; L42-V49 PolarHBondContact O-N 3.27Å; L42-F51 HydrophobicContact CB-CE2 4.46Å; L42-F51 HydrophobicContact CD1-CD2 4.05Å; L42-F51 HydrophobicContact CD1-CE2 3.79Å; L42-F51 HydrophobicContact CG-CD2 4.37Å; L42-F51 HydrophobicContact CG-CE2 4.41Å |
| 43 | T | 81.5 | Confident | 72 | Confident | 106 Ų | 106 | 79 Ų | 79 | 65% | 0.65 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.7 | 173 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | R47 | T43-R47 WeakPolarHBondContact CA-O 3.47Å |
| 44 | E | 79.4 | Confident | 72.9 | Confident | 86 Ų | 86 | 77.4 Ų | 77.4 | 40% | 0.402 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.3 | 176 | -172.3 | -170.1 | 137.9 | 0 | 0 | 108.2 | D46 R47 V49 K72 | E44-D46 VanDerWaalsContact C-N 3.34Å; E44-D46 PolarHBondContact O-N 3.22Å; E44-R47 PolarHBondContact N-O 2.79Å; E44-R47 PolarHBondContact O-N 2.83Å; E44-R47 VanDerWaalsContact O-N 3.07Å; E44-V49 HydrophobicContact CB-CG2 3.83Å; E44-K72 WeakPolarHBondContact OE1-CE 3.46Å; E44-K72 IonicContact OE1-NZ 2.64Å; E44-K72 PolarHBondContact OE1-NZ 3.27Å; E44-K72 WeakPolarHBondContact OE2-CE 3.08Å; E44-K72 IonicContact OE2-NZ 2.71Å; E44-K72 PolarHBondContact OE2-NZ 2.93Å |
| 45 | N | 77.7 | Confident | 73.3 | Confident | 142 Ų | 142 | 77.3 Ų | 77.3 | 76% | 0.759 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 53.3 | -175.2 | -54.6 | -47.9 | 0 | 0 | 0 | 112.2 | R47 | N45-R47 PolarHBondContact O-N 3.29Š|
| 46 | D | 74.6 | Confident | 73.8 | Confident | 164 Ų | 164 | 75.8 Ų | 75.8 | 88% | 0.877 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 12.1 | -177.3 | -55.3 | -40.5 | 0 | 0 | 0 | 116.5 | E44 | E44-D46 VanDerWaalsContact C-N 3.34Å; E44-D46 PolarHBondContact O-N 3.22Å |
| 47 | R | 80.8 | Confident | 74.1 | Confident | 142 Ų | 142 | 69.9 Ų | 69.9 | 54% | 0.536 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137 | 174.7 | -56.4 | -167.5 | -175.1 | -156.7 | -0.5 | 111.6 | T43 E44 N45 A71 | T43-R47 WeakPolarHBondContact CA-O 3.47Å; E44-R47 PolarHBondContact N-O 2.79Å; E44-R47 PolarHBondContact O-N 2.83Å; E44-R47 VanDerWaalsContact O-N 3.07Å; N45-R47 PolarHBondContact O-N 3.29Å; R47-A71 HydrophobicContact CB-CB 3.68Å; R47-A71 HydrophobicContact CG-CB 4.32Å |
| 48 | P | 81.2 | Confident | 74.6 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 10% | 0.104 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 136.2 | 174.5 | 17.2 | -20.1 | 0 | 0 | 0 | 111.7 | L42 P67 I70 A71 | L42-P48 WeakPolarHBondContact O-CA 3.43Å; P48-P67 HydrophobicContact CB-CB 3.97Å; P48-P67 HydrophobicContact CB-CG 4.47Å; P48-P67 HydrophobicContact CG-CB 3.97Å; P48-I70 WeakPolarHBondContact O-CG2 3.45Å; P48-A71 PolarHBondContact O-N 2.84Å |
| 49 | V | 85 | Confident | 74.7 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.6 | 171.7 | 174.3 | 0 | 0 | 0 | 0 | 107.4 | Q41 L42 E44 F51 K72 | Q41-V49 WeakPolarHBondContact CA-O 3.28Å; L42-V49 PolarHBondContact N-O 2.6Å; L42-V49 PolarHBondContact O-N 3.27Å; E44-V49 HydrophobicContact CB-CG2 3.83Å; V49-F51 HydrophobicContact CB-CE2 4.34Å; V49-F51 HydrophobicContact CG1-CD2 3.8Å; V49-F51 HydrophobicContact CG1-CE2 3.31Å; V49-F51 HydrophobicContact CG1-CZ 3.93Å; V49-K72 WeakPolarHBondContact CA-O 3.38Å; V49-K72 HydrophobicContact CB-CB 4.42Å; V49-K72 HydrophobicContact CG1-CB 3.97Å; V49-K72 HydrophobicContact CG2-CB 4.01Å; V49-K72 HydrophobicContact CG2-CD 4.18Å; V49-K72 HydrophobicContact CG2-CG 4.06Å |
| 50 | L | 85.6 | Confident | 74.2 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.8 | -177.8 | -163.2 | 69 | 0 | 0 | 0 | 110.4 | C39 Q41 I70 K72 L73 I74 | C39-L50 HydrophobicContact CB-CD1 3.72Å; C39-L50 HydrophobicContact CB-CD2 4.25Å; C39-L50 HydrophobicContact CB-CG 3.89Å; Q41-L50 HydrophobicContact CB-CD1 4.04Å; L50-I70 HydrophobicContact CB-CD1 4.39Å; L50-I70 HydrophobicContact CD2-CD1 4.21Å; L50-K72 PolarHBondContact N-O 3.11Å; L50-L73 HydrophobicContact CB-CD1 3.94Å; L50-L73 HydrophobicContact CD2-CD1 4Å; L50-L73 HydrophobicContact CG-CD1 4.25Å; L50-I74 PolarHBondContact O-N 2.81Å |
| 51 | F | 83.9 | Confident | 73.7 | Confident | 85 Ų | 85 | 64.6 Ų | 64.6 | 37% | 0.373 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 107.3 | 176.6 | -70.6 | -92.5 | 0 | 0 | 0 | 109.6 | C39 L40 L42 V49 I74 | C39-F51 CarbonylContact C-O 3.23Å; C39-F51 WeakPolarHBondContact CA-O 3.06Å; L40-F51 HydrophobicContact CB-CB 4.4Å; L40-F51 PolarHBondContact N-O 3.11Å; L40-F51 PolarHBondContact O-N 2.96Å; L42-F51 HydrophobicContact CB-CE2 4.46Å; L42-F51 HydrophobicContact CD1-CD2 4.05Å; L42-F51 HydrophobicContact CD1-CE2 3.79Å; L42-F51 HydrophobicContact CG-CD2 4.37Å; L42-F51 HydrophobicContact CG-CE2 4.41Å; V49-F51 HydrophobicContact CB-CE2 4.34Å; V49-F51 HydrophobicContact CG1-CD2 3.8Å; V49-F51 HydrophobicContact CG1-CE2 3.31Å; V49-F51 HydrophobicContact CG1-CZ 3.93Å; F51-I74 CarbonylContact C-O 3.56Å; F51-I74 WeakPolarHBondContact CA-O 3.32Å; F51-I74 HydrophobicContact CD1-CB 4Å; F51-I74 HydrophobicContact CD1-CD1 3.89Å; F51-I74 HydrophobicContact CD1-CG2 4.03Å; F51-I74 HydrophobicContact CE1-CB 4.37Å; F51-I74 HydrophobicContact CE1-CD1 3.36Å; F51-I74 HydrophobicContact CE1-CG1 4.44Å; F51-I74 HydrophobicContact CE1-CG2 4.45Å; F51-I74 HydrophobicContact CZ-CD1 3.88Å |
| 52 | C | 80.5 | Confident | 72.9 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.1 | -177.6 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | A38 C39 I56 I74 I75 S76 | A38-C52 WeakPolarHBondContact O-CA 3.42Å; C39-C52 HydrophobicContact CB-CB 4.09Å; C39-C52 WeakPolarHBondContact CB-SG 3.47Å; C39-C52 WeakPolarHBondContact SG-CB 3.49Å; C39-C52 CovalentContact SG-SG 2.04Å; C39-C52 PolarHBondContact SG-SG 3.03Å; C52-I56 HydrophobicContact CB-CD1 3.48Å; C52-I56 VanDerWaalsContact CB-CD1 3.48Å; C52-I56 HydrophobicContact CB-CG1 4.25Å; C52-I74 PolarHBondContact N-O 3.45Å; C52-I75 HydrophobicContact CB-CG1 4.3Å; C52-I75 WeakPolarHBondContact O-CA 3.48Å; C52-S76 PolarHBondContact O-N 2.85Å |
| 53 | Q | 75.3 | Confident | 72 | Confident | 108 Ų | 108 | 67.8 Ų | 67.8 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 173.3 | 172.9 | -156.8 | 160.4 | 21.4 | 0 | 0 | 110.7 | A38 T55 I56 | A38-Q53 PolarHBondContact O-N 2.97Å; Q53-T55 PolarHBondContact O-N 3.12Å; Q53-I56 PolarHBondContact O-N 3.38Å |
| 54 | S | 61.2 | Low | 71.1 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 22.2 | -173 | 81.4 | 0 | 0 | 0 | 0 | 116.3 | S76 M78 | S54-S76 PolarHBondContact N-O 3.48Å; S54-M78 WeakPolarHBondContact OG-CG 3.25Å |
| 55 | T | 56.3 | Low | 70.3 | Confident | 80 Ų | 80 | 68.4 Ų | 68.4 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -4.3 | 174 | 43.2 | 0 | 0 | 0 | 0 | 112.8 | A38 Q53 P57 | A38-T55 WeakPolarHBondContact CA-OG1 3.43Å; A38-T55 VanDerWaalsContact CB-OG1 3.27Å; A38-T55 WeakPolarHBondContact CB-OG1 3.24Å; Q53-T55 PolarHBondContact O-N 3.12Å; T55-P57 WeakPolarHBondContact O-CD 3.14Å |
| 56 | I | 61.2 | Low | 69.9 | Low | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | trans | -62.2 | 118.4 | 162 | -66.6 | 179.1 | 0 | 0 | 0 | 108.4 | C52 Q53 S58 I61 I75 | C52-I56 HydrophobicContact CB-CD1 3.48Å; C52-I56 VanDerWaalsContact CB-CD1 3.48Å; C52-I56 HydrophobicContact CB-CG1 4.25Å; Q53-I56 PolarHBondContact O-N 3.38Å; I56-S58 WeakPolarHBondContact CG2-O 3.35Å; I56-I61 HydrophobicContact CD1-CD1 3.99Å; I56-I61 HydrophobicContact CD1-CG1 4.18Å; I56-I75 HydrophobicContact CD1-CD1 4.24Å; I56-I75 HydrophobicContact CD1-CG1 4.49Å; I56-I75 HydrophobicContact CD1-CG2 4.46Å | ||
| 57 | P | 54.8 | Low | 69.7 | Low | 50 Ų | 50 | 56.4 Ų | 56.4 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | trans | -75.6 | -30.2 | -176.4 | 29.6 | -34.4 | 0 | 0 | 0 | 113 | T55 Q83 | T55-P57 WeakPolarHBondContact O-CD 3.14Å; P57-Q83 PolarHBondContact O-N 2.79Å | ||
| 58 | S | 62.7 | Low | 69.1 | Low | 59 Ų | 59 | 55.8 Ų | 55.8 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -160 | 162.3 | -180 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | I56 | I56-S58 WeakPolarHBondContact CG2-O 3.35Š|
| 59 | L | 68.8 | Low | 68.8 | Low | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -98.8 | 151.4 | 161.4 | -64.3 | 170.9 | 0 | 0 | 0 | 108.8 | I61 I75 L88 N92 I104 | L59-I61 HydrophobicContact CD2-CG1 3.98Å; L59-I75 HydrophobicContact CD2-CD1 3.92Å; L59-L88 HydrophobicContact CD1-CD1 3.77Å; L59-N92 HydrophobicContact CB-CB 3.67Å; L59-N92 HydrophobicContact CD1-CB 4.31Å; L59-N92 PolarHBondContact O-ND2 2.83Å; L59-I104 HydrophobicContact CD1-CD1 4.33Å |
| 60 | P | 65.6 | Low | 68.6 | Low | 60 Ų | 60 | 62.9 Ų | 62.9 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | S | Bend | cis | -72.2 | 154.4 | 0.4 | 28.9 | -34.5 | 0 | 0 | 0 | 113.9 | D91 N92 | P60-D91 WeakPolarHBondContact CB-O 3.41Å; P60-N92 WeakPolarHBondContact CA-O 3.34Å |
| 61 | I | 68.7 | Low | 68.6 | Low | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.046 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 128.8 | 167.3 | -57.6 | 176.4 | 0 | 0 | 0 | 107.5 | I56 L59 R63 I66 L73 I75 | I56-I61 HydrophobicContact CD1-CD1 3.99Å; I56-I61 HydrophobicContact CD1-CG1 4.18Å; L59-I61 HydrophobicContact CD2-CG1 3.98Å; I61-R63 PolarHBondContact O-N 3.29Å; I61-I66 HydrophobicContact CB-CD1 4.14Å; I61-I66 HydrophobicContact CB-CG1 4.28Å; I61-I66 HydrophobicContact CG2-CD1 4.26Å; I61-I66 HydrophobicContact CG2-CG1 3.86Å; I61-I66 WeakPolarHBondContact O-CD1 3.47Å; I61-L73 HydrophobicContact CD1-CD1 4.23Å; I61-L73 HydrophobicContact CD1-CD2 4.13Å; I61-I75 HydrophobicContact CD1-CD1 4.37Å |
| 62 | P | 65 | Low | 68.9 | Low | 57 Ų | 57 | 61.3 Ų | 61.3 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 136.2 | -178.2 | 23.6 | -31.6 | 0 | 0 | 0 | 111.6 | I35 N64 D65 | I35-P62 HydrophobicContact CD1-CG 3.37Å; P62-N64 PolarHBondContact O-N 2.64Å; P62-D65 PolarHBondContact O-N 2.88Å |
| 63 | R | 63.4 | Low | 69.3 | Low | 198 Ų | 198 | 61.1 Ų | 61.1 | 75% | 0.747 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -55.3 | -22.4 | -167.8 | -151.5 | -177.9 | -159.6 | -175.3 | 8.2 | 115.5 | I61 D65 | I61-R63 PolarHBondContact O-N 3.29Å; R63-D65 VanDerWaalsContact C-N 3.33Å |
| 64 | N | 61.9 | Low | 69.9 | Low | 160 Ų | 160 | 57.2 Ų | 57.2 | 86% | 0.856 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -75.1 | -21 | -179.4 | -64 | -10.1 | 0 | 0 | 0 | 113.4 | P62 | P62-N64 PolarHBondContact O-N 2.64Š|
| 65 | D | 63.4 | Low | 71.1 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -101.5 | 10 | 179.5 | -60.5 | -58.2 | 0 | 0 | 0 | 112.2 | I35 P62 R63 P67 | I35-D65 HydrophobicContact CG2-CB 3.89Å; I35-D65 WeakPolarHBondContact CG2-OD2 3.48Å; P62-D65 PolarHBondContact O-N 2.88Å; R63-D65 VanDerWaalsContact C-N 3.33Å; D65-P67 WeakPolarHBondContact O-CD 3.45Å |
| 66 | I | 68.9 | Low | 72.3 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -106.2 | 107.4 | 179.5 | -61.9 | -179.3 | 0 | 0 | 0 | 109.1 | I61 I70 L96 | I61-I66 HydrophobicContact CB-CD1 4.14Å; I61-I66 HydrophobicContact CB-CG1 4.28Å; I61-I66 HydrophobicContact CG2-CD1 4.26Å; I61-I66 HydrophobicContact CG2-CG1 3.86Å; I61-I66 WeakPolarHBondContact O-CD1 3.47Å; I66-I70 HydrophobicContact CB-CD1 4.41Å; I66-I70 HydrophobicContact CG2-CD1 3.61Å; I66-I70 HydrophobicContact CG2-CG1 4.06Å; I66-L96 HydrophobicContact CD1-CD2 3.95Å; I66-L96 HydrophobicContact CD1-CG 4.44Å; I66-L96 HydrophobicContact CG2-CD2 4.09Å |
| 67 | P | 69.1 | Low | 72.9 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | trans | -56.2 | 143.8 | 172.1 | -28.4 | 35.5 | 0 | 0 | 0 | 112.9 | Q41 P48 D65 K69 I70 | Q41-P67 HydrophobicContact CG-CG 4.35Å; Q41-P67 VanDerWaalsContact OE1-CG 3.23Å; P48-P67 HydrophobicContact CB-CB 3.97Å; P48-P67 HydrophobicContact CB-CG 4.47Å; P48-P67 HydrophobicContact CG-CB 3.97Å; D65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-K69 PolarHBondContact O-N 2.74Å; P67-I70 HydrophobicContact CB-CG1 4.34Å; P67-I70 WeakPolarHBondContact O-CG1 3.22Å | ||
| 68 | T | 69.2 | Low | 73.1 | Confident | 129 Ų | 129 | 59 Ų | 59 | 79% | 0.791 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 130.5 | 177.9 | 50 | 0 | 0 | 0 | 0 | 110.5 | ||
| 69 | K | 74.4 | Confident | 72.8 | Confident | 167 Ų | 167 | 58.8 Ų | 58.8 | 73% | 0.726 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 46.1 | -178.2 | -51.6 | 176.5 | -179.6 | 176 | 0 | 115.2 | P67 A71 T98 | P67-K69 PolarHBondContact O-N 2.74Å; K69-A71 PolarHBondContact O-N 3.32Å; K69-T98 WeakPolarHBondContact CA-OG1 3.42Å |
| 70 | I | 82.1 | Confident | 72.1 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | trans | -53.6 | 133.7 | 166.7 | -45.1 | -170.1 | 0 | 0 | 0 | 109.5 | P48 L50 I66 P67 K72 L96 T98 L99 | P48-I70 WeakPolarHBondContact O-CG2 3.45Å; L50-I70 HydrophobicContact CB-CD1 4.39Å; L50-I70 HydrophobicContact CD2-CD1 4.21Å; I66-I70 HydrophobicContact CB-CD1 4.41Å; I66-I70 HydrophobicContact CG2-CD1 3.61Å; I66-I70 HydrophobicContact CG2-CG1 4.06Å; P67-I70 HydrophobicContact CB-CG1 4.34Å; P67-I70 WeakPolarHBondContact O-CG1 3.22Å; I70-K72 VanDerWaalsContact CG2-O 3.29Å; I70-K72 WeakPolarHBondContact CG2-O 3.44Å; I70-L96 HydrophobicContact CD1-CD2 4.35Å; I70-T98 CarbonylContact O-C 3.5Å; I70-T98 PolarHBondContact O-OG1 3.48Å; I70-L99 HydrophobicContact CB-CD2 3.84Å; I70-L99 HydrophobicContact CG2-CD2 3.55Å | ||
| 71 | A | 85.3 | Confident | 71.5 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | trans | -98.1 | -39.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R47 P48 K69 T100 Y101 | R47-A71 HydrophobicContact CB-CB 3.68Å; R47-A71 HydrophobicContact CG-CB 4.32Å; P48-A71 PolarHBondContact O-N 2.84Å; K69-A71 PolarHBondContact O-N 3.32Å; A71-T100 PolarHBondContact O-N 3.14Å; A71-T100 PolarHBondContact O-OG1 2.04Å; A71-T100 VanDerWaalsContact O-OG1 3.13Å; A71-Y101 PolarHBondContact O-N 3.35Å; A71-Y101 VanDerWaalsContact O-N 3.1Å | ||
| 72 | K | 88.5 | Confident | 70.8 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.9 | -179.9 | -46.1 | -172.1 | -177.6 | 171.7 | 0 | 111.3 | E44 V49 L50 I70 Y101 | E44-K72 WeakPolarHBondContact OE1-CE 3.46Å; E44-K72 IonicContact OE1-NZ 2.64Å; E44-K72 PolarHBondContact OE1-NZ 3.27Å; E44-K72 WeakPolarHBondContact OE2-CE 3.08Å; E44-K72 IonicContact OE2-NZ 2.71Å; E44-K72 PolarHBondContact OE2-NZ 2.93Å; V49-K72 WeakPolarHBondContact CA-O 3.38Å; V49-K72 HydrophobicContact CB-CB 4.42Å; V49-K72 HydrophobicContact CG1-CB 3.97Å; V49-K72 HydrophobicContact CG2-CB 4.01Å; V49-K72 HydrophobicContact CG2-CD 4.18Å; V49-K72 HydrophobicContact CG2-CG 4.06Å; L50-K72 PolarHBondContact N-O 3.11Å; I70-K72 VanDerWaalsContact CG2-O 3.29Å; I70-K72 WeakPolarHBondContact CG2-O 3.44Å; K72-Y101 WeakPolarHBondContact CA-O 3.21Å; K72-Y101 HydrophobicContact CB-CD1 4.27Å; K72-Y101 HydrophobicContact CB-CG 4.31Å; K72-Y101 HydrophobicContact CD-CG 4.34Å; K72-Y101 HydrophobicContact CG-CG 4.32Å |
| 73 | L | 89 | Confident | 70.2 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.6 | 171.7 | 176.1 | 60.3 | 0 | 0 | 0 | 109.2 | L50 I61 I75 L96 L99 Y101 L102 Q103 | L50-L73 HydrophobicContact CB-CD1 3.94Å; L50-L73 HydrophobicContact CD2-CD1 4Å; L50-L73 HydrophobicContact CG-CD1 4.25Å; I61-L73 HydrophobicContact CD1-CD1 4.23Å; I61-L73 HydrophobicContact CD1-CD2 4.13Å; L73-I75 HydrophobicContact CD1-CG1 4.09Å; L73-I75 HydrophobicContact CD2-CD1 4.26Å; L73-I75 HydrophobicContact CD2-CG1 4.49Å; L73-I75 HydrophobicContact CG-CD1 4.41Å; L73-I75 HydrophobicContact CG-CG1 4.1Å; L73-L96 HydrophobicContact CD2-CD1 3.59Å; L73-L96 HydrophobicContact CD2-CD2 4.2Å; L73-L99 HydrophobicContact CB-CD1 3.65Å; L73-L99 HydrophobicContact CB-CD2 3.84Å; L73-L99 HydrophobicContact CB-CG 4.44Å; L73-L99 HydrophobicContact CD2-CD1 4.08Å; L73-Y101 PolarHBondContact N-O 2.58Å; L73-L102 HydrophobicContact CB-CD1 4.04Å; L73-L102 HydrophobicContact CD2-CD1 3.85Å; L73-L102 HydrophobicContact CG-CD1 3.99Å; L73-L102 WeakPolarHBondContact O-CA 3.39Å; L73-Q103 PolarHBondContact O-N 3.01Å |
| 74 | I | 87.9 | Confident | 70.4 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.138 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.4 | 179.1 | -68.6 | 162.9 | 0 | 0 | 0 | 107.7 | L50 F51 C52 Y101 Q103 | L50-I74 PolarHBondContact O-N 2.81Å; F51-I74 CarbonylContact C-O 3.56Å; F51-I74 WeakPolarHBondContact CA-O 3.32Å; F51-I74 HydrophobicContact CD1-CB 4Å; F51-I74 HydrophobicContact CD1-CD1 3.89Å; F51-I74 HydrophobicContact CD1-CG2 4.03Å; F51-I74 HydrophobicContact CE1-CB 4.37Å; F51-I74 HydrophobicContact CE1-CD1 3.36Å; F51-I74 HydrophobicContact CE1-CG1 4.44Å; F51-I74 HydrophobicContact CE1-CG2 4.45Å; F51-I74 HydrophobicContact CZ-CD1 3.88Å; C52-I74 PolarHBondContact N-O 3.45Å; I74-Y101 HydrophobicContact CD1-CE1 4.09Å; I74-Y101 HydrophobicContact CG1-CD1 4.19Å; I74-Y101 HydrophobicContact CG1-CE1 3.73Å; I74-Q103 HydrophobicContact CG1-CB 4.17Å |
| 75 | I | 86.2 | Confident | 70.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.9 | 174.7 | -53.2 | -178.4 | 0 | 0 | 0 | 108 | C52 I56 L59 I61 L73 Q103 I104 S105 F107 | C52-I75 HydrophobicContact CB-CG1 4.3Å; C52-I75 WeakPolarHBondContact O-CA 3.48Å; I56-I75 HydrophobicContact CD1-CD1 4.24Å; I56-I75 HydrophobicContact CD1-CG1 4.49Å; I56-I75 HydrophobicContact CD1-CG2 4.46Å; L59-I75 HydrophobicContact CD2-CD1 3.92Å; I61-I75 HydrophobicContact CD1-CD1 4.37Å; L73-I75 HydrophobicContact CD1-CG1 4.09Å; L73-I75 HydrophobicContact CD2-CD1 4.26Å; L73-I75 HydrophobicContact CD2-CG1 4.49Å; L73-I75 HydrophobicContact CG-CD1 4.41Å; L73-I75 HydrophobicContact CG-CG1 4.1Å; I75-Q103 PolarHBondContact N-O 3.18Å; I75-I104 HydrophobicContact CB-CG1 4.44Å; I75-I104 HydrophobicContact CB-CG2 4.44Å; I75-I104 HydrophobicContact CD1-CG1 4.35Å; I75-I104 WeakPolarHBondContact O-CA 3.45Å; I75-S105 PolarHBondContact O-N 2.82Å; I75-F107 HydrophobicContact CG2-CD2 3.95Å; I75-F107 HydrophobicContact CG2-CE2 3.89Å |
| 76 | S | 82.6 | Confident | 71.8 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 116.2 | -175.6 | -170.4 | 0 | 0 | 0 | 0 | 112.7 | C52 S54 | C52-S76 PolarHBondContact O-N 2.85Å; S54-S76 PolarHBondContact N-O 3.48Å |
| 77 | G | 72.9 | Confident | 72.7 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | trans | -69.6 | 128.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S105 N106 | G77-S105 PolarHBondContact N-O 3.25Å; G77-N106 WeakPolarHBondContact O-CB 3.49Å; G77-N106 PolarHBondContact O-ND2 3.49Å | ||
| 78 | M | 59.1 | Low | 73.7 | Confident | 141 Ų | 141 | 57.6 Ų | 57.6 | 70% | 0.695 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -105.8 | -17.7 | 162.3 | 70.1 | 132.6 | 70.9 | 0 | 0 | 113.3 | S54 | S54-M78 WeakPolarHBondContact OG-CG 3.25Š|
| 79 | S | 56.3 | Low | 74.6 | Confident | 53 Ų | 53 | 52.2 Ų | 52.2 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -149.7 | 139.1 | -179.6 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | T81 | S79-T81 WeakPolarHBondContact CB-OG1 3.39Å; S79-T81 PolarHBondContact O-N 3.28Å; S79-T81 VanDerWaalsContact OG-CG2 3.32Å; S79-T81 WeakPolarHBondContact OG-CG2 3.39Å; S79-T81 PolarHBondContact OG-OG1 2.85Å |
| 80 | S | 54.4 | Low | 75.3 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 51% | 0.51 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -81.9 | 52.7 | -179.4 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 81 | T | 53.1 | Low | 75.5 | Confident | 108 Ų | 108 | 55.8 Ų | 55.8 | 66% | 0.663 | 30% | 0.303 | S | S | * | . | trans | -124.4 | 16.8 | -170.1 | 48 | 0 | 0 | 0 | 0 | 113.7 | S79 | S79-T81 WeakPolarHBondContact CB-OG1 3.39Å; S79-T81 PolarHBondContact O-N 3.28Å; S79-T81 VanDerWaalsContact OG-CG2 3.32Å; S79-T81 WeakPolarHBondContact OG-CG2 3.39Å; S79-T81 PolarHBondContact OG-OG1 2.85Å | ||
| 82 | G | 54.1 | Low | 75.4 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | trans | -80.9 | 140.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H84 | G82-H84 PolarHBondContact O-N 3.47Š| ||
| 83 | Q | 53.6 | Low | 75.2 | Confident | 182 Ų | 182 | 54.3 Ų | 54.3 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | trans | -76.8 | 14.8 | -173.2 | -69.3 | -174.6 | -34.7 | 0 | 0 | 115 | P57 | P57-Q83 PolarHBondContact O-N 2.79Š| ||
| 84 | H | 66.5 | Low | 74.9 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -73.2 | 157.7 | 175.3 | 81.8 | -32.6 | 0 | 0 | 0 | 112.6 | G82 G86 F107 | G82-H84 PolarHBondContact O-N 3.47Å; H84-G86 VanDerWaalsContact C-N 3.27Å; H84-G86 WeakPolarHBondContact NE2-CA 3.43Å; H84-G86 PolarHBondContact O-N 2.87Å; H84-F107 HydrophobicContact CB-CE1 4.48Å; H84-F107 AromaticContact CD2-CD1 3.55Å; H84-F107 AromaticContact CD2-CE1 3.54Å; H84-F107 PolarHBondContact CE1-O 3.47Å; H84-F107 AromaticContact CG-CE1 3.94Å; H84-F107 AromaticContact NE2-CD1 3.53Å; H84-F107 AromaticContact NE2-CE1 3.98Å; H84-F107 PolarHBondContact NE2-O 3.23Å |
| 85 | N | 73 | Confident | 74.4 | Confident | 106 Ų | 106 | 57.3 Ų | 57.3 | 57% | 0.567 | 32% | 0.321 | S | S | * | . | trans | -76.3 | -6.4 | 178.4 | 61.4 | -5.1 | 0 | 0 | 0 | 114.4 | I87 | N85-I87 VanDerWaalsContact C-N 3.3Å; N85-I87 PolarHBondContact OD1-N 2.84Å; N85-I87 PolarHBondContact OD1-O 3.43Å | ||
| 86 | G | 81.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 76.7 | 10.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H84 K110 E111 | H84-G86 VanDerWaalsContact C-N 3.27Å; H84-G86 WeakPolarHBondContact NE2-CA 3.43Å; H84-G86 PolarHBondContact O-N 2.87Å; G86-K110 PolarHBondContact O-N 3.47Å; G86-E111 PolarHBondContact O-N 3.46Å; G86-E111 VanDerWaalsContact O-N 3.14Å |
| 87 | I | 87.7 | Confident | 74.6 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.8 | 178.3 | -50.2 | -179.3 | 0 | 0 | 0 | 108.2 | N85 T89 N92 E111 E113 | N85-I87 VanDerWaalsContact C-N 3.3Å; N85-I87 PolarHBondContact OD1-N 2.84Å; N85-I87 PolarHBondContact OD1-O 3.43Å; I87-T89 HydrophobicContact CG2-CG2 4.16Å; I87-N92 PolarHBondContact O-OD1 3.3Å; I87-E111 WeakPolarHBondContact CA-O 3.38Å; I87-E111 HydrophobicContact CG1-CB 4.42Å; I87-E111 HydrophobicContact CG2-CB 4.39Å; I87-E111 HydrophobicContact CG2-CG 4.49Å; I87-E113 HydrophobicContact CG2-CG 3.44Å; I87-E113 VanDerWaalsContact CG2-CG 3.44Å |
| 88 | L | 89.6 | Confident | 75.3 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.5 | 173.8 | -168.7 | 69.7 | 0 | 0 | 0 | 109.9 | L59 N92 L93 I104 L109 E111 E113 T116 F117 L128 | L59-L88 HydrophobicContact CD1-CD1 3.77Å; L88-N92 HydrophobicContact CD1-CB 4.1Å; L88-L93 HydrophobicContact CD1-CD2 4.48Å; L88-I104 HydrophobicContact CD1-CD1 4.28Å; L88-I104 HydrophobicContact CD2-CD1 4.47Å; L88-L109 HydrophobicContact CB-CD1 4.43Å; L88-L109 HydrophobicContact CB-CD2 4.24Å; L88-L109 HydrophobicContact CD2-CD1 4.29Å; L88-E111 PolarHBondContact N-O 3.47Å; L88-E113 PolarHBondContact O-N 2.87Å; L88-T116 HydrophobicContact CD2-CG2 4.09Å; L88-T116 HydrophobicContact CG-CG2 3.85Å; L88-T116 PolarHBondContact O-OG1 3.4Å; L88-F117 HydrophobicContact CD2-CE1 4.02Å; L88-F117 HydrophobicContact CD2-CZ 3.57Å; L88-L128 HydrophobicContact CD2-CD2 4.34Å |
| 89 | T | 89.6 | Confident | 76.7 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 10% | 0.104 | 31% | 0.308 | C | S | . | . | trans | -109.9 | 167.6 | -177.6 | 87.8 | 0 | 0 | 0 | 0 | 111.3 | I87 D91 N92 E113 | I87-T89 HydrophobicContact CG2-CG2 4.16Å; T89-D91 VanDerWaalsContact C-N 3.27Å; T89-D91 PolarHBondContact O-N 3.1Å; T89-D91 PolarHBondContact OG1-N 3.23Å; T89-D91 VanDerWaalsContact OG1-N 3.13Å; T89-N92 PolarHBondContact N-OD1 2.85Å; T89-N92 WeakPolarHBondContact O-CB 3.38Å; T89-N92 PolarHBondContact O-N 3.4Å; T89-N92 PolarHBondContact OG1-N 3.14Å; T89-N92 PolarHBondContact OG1-OD1 2.93Å; T89-E113 VanDerWaalsContact CB-OE2 3.31Å; T89-E113 WeakPolarHBondContact CB-OE2 3.5Å; T89-E113 HydrophobicContact CG2-CG 4.06Å; T89-E113 WeakPolarHBondContact CG2-OE2 3.45Å | ||
| 90 | R | 88.9 | Confident | 78.5 | Confident | 130 Ų | 130 | 54.9 Ų | 54.9 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -60.4 | -36.2 | 171.9 | -179.1 | 173.5 | 168.4 | 153.4 | -7.7 | 112.5 | N92 L93 S118 | R90-N92 VanDerWaalsContact C-N 3.28Å; R90-N92 PolarHBondContact O-N 3.13Å; R90-L93 PolarHBondContact O-N 3.02Å; R90-L93 VanDerWaalsContact O-N 3.12Å; R90-S118 PolarHBondContact NH1-OG 3.1Å |
| 91 | D | 85.2 | Confident | 80.3 | Confident | 113 Ų | 113 | 53.9 Ų | 53.9 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -65.3 | -33.8 | -178 | -61.5 | -37 | 0 | 0 | 0 | 112 | P60 T89 L93 T94 | P60-D91 WeakPolarHBondContact CB-O 3.41Å; T89-D91 VanDerWaalsContact C-N 3.27Å; T89-D91 PolarHBondContact O-N 3.1Å; T89-D91 PolarHBondContact OG1-N 3.23Å; T89-D91 VanDerWaalsContact OG1-N 3.13Å; D91-L93 PolarHBondContact O-N 3.48Å; D91-L93 VanDerWaalsContact O-N 3.12Å; D91-T94 PolarHBondContact O-N 3.35Å; D91-T94 PolarHBondContact O-OG1 2.91Å |
| 92 | N | 82.9 | Confident | 82.2 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.3 | -18.8 | 175.2 | -62.4 | 141.6 | 0 | 0 | 0 | 113.9 | L59 P60 I87 L88 T89 R90 | L59-N92 HydrophobicContact CB-CB 3.67Å; L59-N92 HydrophobicContact CD1-CB 4.31Å; L59-N92 PolarHBondContact O-ND2 2.83Å; P60-N92 WeakPolarHBondContact CA-O 3.34Å; I87-N92 PolarHBondContact O-OD1 3.3Å; L88-N92 HydrophobicContact CD1-CB 4.1Å; T89-N92 PolarHBondContact N-OD1 2.85Å; T89-N92 WeakPolarHBondContact O-CB 3.38Å; T89-N92 PolarHBondContact O-N 3.4Å; T89-N92 PolarHBondContact OG1-N 3.14Å; T89-N92 PolarHBondContact OG1-OD1 2.93Å; R90-N92 VanDerWaalsContact C-N 3.28Å; R90-N92 PolarHBondContact O-N 3.13Å |
| 93 | L | 85 | Confident | 84.1 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -114.9 | 10.4 | -174.6 | -57.8 | 175.6 | 0 | 0 | 0 | 112.9 | L88 R90 D91 G95 L96 L102 T116 F117 M120 | L88-L93 HydrophobicContact CD1-CD2 4.48Å; R90-L93 PolarHBondContact O-N 3.02Å; R90-L93 VanDerWaalsContact O-N 3.12Å; D91-L93 PolarHBondContact O-N 3.48Å; D91-L93 VanDerWaalsContact O-N 3.12Å; L93-G95 PolarHBondContact O-N 2.99Å; L93-L96 HydrophobicContact CD2-CD1 4.3Å; L93-L96 WeakPolarHBondContact O-CB 3.47Å; L93-L96 PolarHBondContact O-N 2.9Å; L93-L102 HydrophobicContact CD1-CD2 4.45Å; L93-L102 HydrophobicContact CD2-CD2 4.02Å; L93-T116 HydrophobicContact CD1-CG2 3.81Å; L93-F117 HydrophobicContact CD1-CD1 3.63Å; L93-F117 HydrophobicContact CD1-CE1 3.59Å; L93-M120 HydrophobicContact CB-SD 4.34Å; L93-M120 HydrophobicContact CD1-SD 3.88Å |
| 94 | T | 82.2 | Confident | 85.8 | Confident | 69 Ų | 69 | 40.5 Ų | 40.5 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 134.5 | 179.9 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | D91 L96 | D91-T94 PolarHBondContact O-N 3.35Å; D91-T94 PolarHBondContact O-OG1 2.91Å; T94-L96 PolarHBondContact O-N 2.9Å |
| 95 | G | 78.6 | Confident | 86.9 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 24% | 0.237 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -1.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L93 E97 | L93-G95 PolarHBondContact O-N 2.99Å; G95-E97 VanDerWaalsContact C-N 3.35Å; G95-E97 PolarHBondContact N-OE1 2.88Å |
| 96 | L | 85.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -95.6 | 15.2 | 174.1 | -62.7 | 175.3 | 0 | 0 | 0 | 113.2 | I66 I70 L73 L93 T94 T98 L99 | I66-L96 HydrophobicContact CD1-CD2 3.95Å; I66-L96 HydrophobicContact CD1-CG 4.44Å; I66-L96 HydrophobicContact CG2-CD2 4.09Å; I70-L96 HydrophobicContact CD1-CD2 4.35Å; L73-L96 HydrophobicContact CD2-CD1 3.59Å; L73-L96 HydrophobicContact CD2-CD2 4.2Å; L93-L96 HydrophobicContact CD2-CD1 4.3Å; L93-L96 WeakPolarHBondContact O-CB 3.47Å; L93-L96 PolarHBondContact O-N 2.9Å; T94-L96 PolarHBondContact O-N 2.9Å; L96-T98 PolarHBondContact O-N 2.79Å; L96-L99 HydrophobicContact CB-CD1 3.83Å; L96-L99 HydrophobicContact CB-CG 4.2Å; L96-L99 HydrophobicContact CD1-CD1 4.31Å; L96-L99 HydrophobicContact CD2-CD1 4.32Å; L96-L99 HydrophobicContact CG-CD1 4.39Å; L96-L99 WeakPolarHBondContact O-CB 3.48Å; L96-L99 WeakPolarHBondContact O-CG 3.48Å; L96-L99 PolarHBondContact O-N 2.86Å | ||
| 97 | E | 86.3 | Confident | 87.6 | Confident | 95 Ų | 95 | 38.5 Ų | 38.5 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.2 | -175.5 | -67.6 | 140.3 | -140 | 0 | 0 | 114.2 | G95 A119 | G95-E97 VanDerWaalsContact C-N 3.35Å; G95-E97 PolarHBondContact N-OE1 2.88Å; E97-A119 HydrophobicContact CG-CB 4.14Å |
| 98 | T | 87.2 | Confident | 87.4 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 34% | 0.337 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.4 | -179.7 | 64.5 | 0 | 0 | 0 | 0 | 115.2 | K69 I70 L96 T100 | K69-T98 WeakPolarHBondContact CA-OG1 3.42Å; I70-T98 CarbonylContact O-C 3.5Å; I70-T98 PolarHBondContact O-OG1 3.48Å; L96-T98 PolarHBondContact O-N 2.79Å; T98-T100 PolarHBondContact O-N 2.97Å |
| 99 | L | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -62.4 | 134.8 | -176.4 | -74.3 | -179.1 | 0 | 0 | 0 | 111.9 | I70 L73 L96 L102 M120 H122 L123 | I70-L99 HydrophobicContact CB-CD2 3.84Å; I70-L99 HydrophobicContact CG2-CD2 3.55Å; L73-L99 HydrophobicContact CB-CD1 3.65Å; L73-L99 HydrophobicContact CB-CD2 3.84Å; L73-L99 HydrophobicContact CB-CG 4.44Å; L73-L99 HydrophobicContact CD2-CD1 4.08Å; L96-L99 HydrophobicContact CB-CD1 3.83Å; L96-L99 HydrophobicContact CB-CG 4.2Å; L96-L99 HydrophobicContact CD1-CD1 4.31Å; L96-L99 HydrophobicContact CD2-CD1 4.32Å; L96-L99 HydrophobicContact CG-CD1 4.39Å; L96-L99 WeakPolarHBondContact O-CB 3.48Å; L96-L99 WeakPolarHBondContact O-CG 3.48Å; L96-L99 PolarHBondContact O-N 2.86Å; L99-L102 HydrophobicContact CD1-CB 4.41Å; L99-L102 HydrophobicContact CD1-CD1 4.17Å; L99-M120 HydrophobicContact CB-CE 3.76Å; L99-M120 HydrophobicContact CD1-CE 3.78Å; L99-M120 HydrophobicContact CG-CE 4.28Å; L99-H122 CarbonylContact O-C 3.54Å; L99-H122 VanDerWaalsContact O-C 3.23Å; L99-L123 VanDerWaalsContact O-CA 3.22Å; L99-L123 WeakPolarHBondContact O-CA 3.28Å; L99-L123 PolarHBondContact O-N 3.44Å; L99-L123 VanDerWaalsContact O-N 3.1Å | ||
| 100 | T | 92.5 | Very high | 87.5 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 27% | 0.27 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -100.3 | -19.9 | 168.2 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | A71 T98 H122 R124 I125 | A71-T100 PolarHBondContact O-N 3.14Å; A71-T100 PolarHBondContact O-OG1 2.04Å; A71-T100 VanDerWaalsContact O-OG1 3.13Å; T98-T100 PolarHBondContact O-N 2.97Å; T100-H122 WeakPolarHBondContact CA-O 3.24Å; T100-H122 HydrophobicContact CG2-CB 4.42Å; T100-R124 PolarHBondContact O-N 3.37Å; T100-I125 PolarHBondContact O-N 2.72Å; T100-I125 VanDerWaalsContact O-N 3.07Å |
| 101 | Y | 93 | Very high | 87.6 | Confident | 51 Ų | 51 | 36.4 Ų | 36.4 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.9 | 178.2 | -172.7 | -75.5 | 0 | 0 | 0 | 110.1 | A71 K72 L73 I74 Q103 I125 | A71-Y101 PolarHBondContact O-N 3.35Å; A71-Y101 VanDerWaalsContact O-N 3.1Å; K72-Y101 WeakPolarHBondContact CA-O 3.21Å; K72-Y101 HydrophobicContact CB-CD1 4.27Å; K72-Y101 HydrophobicContact CB-CG 4.31Å; K72-Y101 HydrophobicContact CD-CG 4.34Å; K72-Y101 HydrophobicContact CG-CG 4.32Å; L73-Y101 PolarHBondContact N-O 2.58Å; I74-Y101 HydrophobicContact CD1-CE1 4.09Å; I74-Y101 HydrophobicContact CG1-CD1 4.19Å; I74-Y101 HydrophobicContact CG1-CE1 3.73Å; Y101-Q103 HydrophobicContact CD1-CB 4.45Å; Y101-Q103 HydrophobicContact CE1-CB 3.65Å; Y101-I125 WeakPolarHBondContact CA-O 3.37Å; Y101-I125 HydrophobicContact CD2-CB 3.62Å; Y101-I125 HydrophobicContact CD2-CD1 3.77Å; Y101-I125 HydrophobicContact CD2-CG1 4.27Å; Y101-I125 HydrophobicContact CD2-CG2 3.62Å; Y101-I125 HydrophobicContact CE2-CB 4.05Å; Y101-I125 HydrophobicContact CE2-CD1 4.05Å; Y101-I125 HydrophobicContact CE2-CG2 3.51Å; Y101-I125 HydrophobicContact CG-CB 4.28Å; Y101-I125 HydrophobicContact CG-CG2 4.38Å |
| 102 | L | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.8 | 171 | 177.9 | 60.4 | 0 | 0 | 0 | 109.4 | L73 L93 L99 I104 F117 M120 L123 I125 L126 D127 | L73-L102 HydrophobicContact CB-CD1 4.04Å; L73-L102 HydrophobicContact CD2-CD1 3.85Å; L73-L102 HydrophobicContact CG-CD1 3.99Å; L73-L102 WeakPolarHBondContact O-CA 3.39Å; L93-L102 HydrophobicContact CD1-CD2 4.45Å; L93-L102 HydrophobicContact CD2-CD2 4.02Å; L99-L102 HydrophobicContact CD1-CB 4.41Å; L99-L102 HydrophobicContact CD1-CD1 4.17Å; L102-I104 HydrophobicContact CD1-CD1 4.19Å; L102-I104 HydrophobicContact CD1-CG1 3.95Å; L102-I104 HydrophobicContact CD2-CD1 4.31Å; L102-I104 HydrophobicContact CG-CD1 4.38Å; L102-I104 HydrophobicContact CG-CG1 4.24Å; L102-F117 HydrophobicContact CD2-CE1 4.05Å; L102-M120 HydrophobicContact CD2-CE 4.16Å; L102-M120 HydrophobicContact CD2-SD 4.35Å; L102-L123 HydrophobicContact CB-CD1 3.82Å; L102-I125 PolarHBondContact N-O 3.32Å; L102-L126 HydrophobicContact CB-CD1 4.18Å; L102-L126 HydrophobicContact CD2-CD1 3.99Å; L102-L126 HydrophobicContact CG-CD1 4.12Å; L102-L126 WeakPolarHBondContact O-CA 3.28Å; L102-D127 PolarHBondContact O-N 3.17Å |
| 103 | Q | 93 | Very high | 88.6 | Confident | 39 Ų | 39 | 32.5 Ų | 32.5 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.1 | 170.2 | 178.1 | 175.1 | 39.4 | 0 | 0 | 109.7 | L73 I74 I75 Y101 D127 | L73-Q103 PolarHBondContact O-N 3.01Å; I74-Q103 HydrophobicContact CG1-CB 4.17Å; I75-Q103 PolarHBondContact N-O 3.18Å; Y101-Q103 HydrophobicContact CD1-CB 4.45Å; Y101-Q103 HydrophobicContact CE1-CB 3.65Å; Q103-D127 CarbonylContact C-O 3.59Å; Q103-D127 VanDerWaalsContact CA-O 3.28Å; Q103-D127 WeakPolarHBondContact CA-O 3.47Å; Q103-D127 HydrophobicContact CB-CB 4.2Å; Q103-D127 HydrophobicContact CG-CB 4.02Å; Q103-D127 PolarHBondContact NE2-OD2 3.45Å |
| 104 | I | 90.5 | Very high | 89 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 106.1 | 173.6 | -53 | 176.8 | 0 | 0 | 0 | 107.1 | L59 I75 L88 L102 F107 L109 D127 L128 N131 | L59-I104 HydrophobicContact CD1-CD1 4.33Å; I75-I104 HydrophobicContact CB-CG1 4.44Å; I75-I104 HydrophobicContact CB-CG2 4.44Å; I75-I104 HydrophobicContact CD1-CG1 4.35Å; I75-I104 WeakPolarHBondContact O-CA 3.45Å; L88-I104 HydrophobicContact CD1-CD1 4.28Å; L88-I104 HydrophobicContact CD2-CD1 4.47Å; L102-I104 HydrophobicContact CD1-CD1 4.19Å; L102-I104 HydrophobicContact CD1-CG1 3.95Å; L102-I104 HydrophobicContact CD2-CD1 4.31Å; L102-I104 HydrophobicContact CG-CD1 4.38Å; L102-I104 HydrophobicContact CG-CG1 4.24Å; I104-F107 HydrophobicContact CG2-CB 3.77Å; I104-F107 HydrophobicContact CG2-CD1 4.33Å; I104-F107 HydrophobicContact CG2-CG 4.03Å; I104-L109 HydrophobicContact CB-CD1 4.49Å; I104-L109 HydrophobicContact CG2-CD1 3.97Å; I104-D127 PolarHBondContact N-O 2.67Å; I104-L128 HydrophobicContact CB-CD2 4.09Å; I104-L128 HydrophobicContact CD1-CD2 4.43Å; I104-L128 HydrophobicContact CG1-CD2 4.46Å; I104-L128 WeakPolarHBondContact O-CA 3.48Å; I104-N131 PolarHBondContact O-ND2 3.2Å |
| 105 | S | 88.9 | Confident | 89.6 | Confident | 11 Ų | 11 | 35.2 Ų | 35.2 | 8% | 0.077 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.6 | -174.3 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | I75 G77 F107 S129 | I75-S105 PolarHBondContact O-N 2.82Å; G77-S105 PolarHBondContact N-O 3.25Å; S105-F107 PolarHBondContact O-N 3.23Å; S105-F107 VanDerWaalsContact O-N 3.12Å; S105-S129 VanDerWaalsContact CA-O 3.24Å; S105-S129 WeakPolarHBondContact CA-O 3.4Å; S105-S129 VanDerWaalsContact CB-O 3.24Å; S105-S129 WeakPolarHBondContact CB-O 3.3Å |
| 106 | N | 85.1 | Confident | 90.3 | Very high | 73 Ų | 73 | 34.1 Ų | 34.1 | 39% | 0.39 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 55.5 | 21.2 | -177 | -68.7 | -9.2 | 0 | 0 | 0 | 114.7 | G77 K130 | G77-N106 WeakPolarHBondContact O-CB 3.49Å; G77-N106 PolarHBondContact O-ND2 3.49Å; N106-K130 WeakPolarHBondContact CA-O 3.32Å; N106-K130 PolarHBondContact N-O 2.89Å; N106-K130 WeakPolarHBondContact OD1-CB 3.23Å |
| 107 | F | 83.5 | Confident | 90.7 | Very high | 14 Ų | 14 | 34 Ų | 34 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -89.3 | -12.2 | -170.1 | -151.5 | -111.6 | 0 | 0 | 0 | 113.7 | I75 H84 I104 S105 L109 N131 | I75-F107 HydrophobicContact CG2-CD2 3.95Å; I75-F107 HydrophobicContact CG2-CE2 3.89Å; H84-F107 HydrophobicContact CB-CE1 4.48Å; H84-F107 AromaticContact CD2-CD1 3.55Å; H84-F107 AromaticContact CD2-CE1 3.54Å; H84-F107 PolarHBondContact CE1-O 3.47Å; H84-F107 AromaticContact CG-CE1 3.94Å; H84-F107 AromaticContact NE2-CD1 3.53Å; H84-F107 AromaticContact NE2-CE1 3.98Å; H84-F107 PolarHBondContact NE2-O 3.23Å; I104-F107 HydrophobicContact CG2-CB 3.77Å; I104-F107 HydrophobicContact CG2-CD1 4.33Å; I104-F107 HydrophobicContact CG2-CG 4.03Å; S105-F107 PolarHBondContact O-N 3.23Å; S105-F107 VanDerWaalsContact O-N 3.12Å; F107-L109 HydrophobicContact CB-CG 4.44Å; F107-L109 HydrophobicContact CD1-CD2 4.24Å; F107-L109 HydrophobicContact CD1-CG 4.44Å; F107-N131 PolarHBondContact N-OD1 3.37Å |
| 108 | D | 85.3 | Confident | 91 | Very high | 24 Ų | 24 | 30.9 Ų | 30.9 | 13% | 0.128 | 16% | 0.161 | C | C | . | . | trans | 68.6 | 32.4 | -174.1 | -164.5 | 35.8 | 0 | 0 | 0 | 114.6 | K110 N131 R132 | D108-K110 PolarHBondContact O-NZ 3.08Å; D108-K110 WeakPolarHBondContact OD1-CE 3.33Å; D108-K110 IonicContact OD1-NZ 2.75Å; D108-K110 PolarHBondContact OD1-NZ 2.98Å; D108-K110 WeakPolarHBondContact OD2-CE 3.38Å; D108-K110 IonicContact OD2-NZ 3.68Å; D108-K110 PolarHBondContact OD2-NZ 3.35Å; D108-N131 PolarHBondContact N-OD1 3.5Å; D108-R132 WeakPolarHBondContact OD1-CD 3.43Å; D108-R132 WeakPolarHBondContact OD1-CG 3.37Å; D108-R132 IonicContact OD1-CZ 3.93Å; D108-R132 IonicContact OD1-NE 3.78Å; D108-R132 IonicContact OD1-NH1 2.65Å; D108-R132 PolarHBondContact OD1-NH1 2.95Å; D108-R132 IonicContact OD2-NH1 3.56Å; D108-R132 PolarHBondContact OD2-NH1 3.44Å; D108-R132 VanDerWaalsContact OD2-NH1 3.16Å | ||
| 109 | L | 88.9 | Confident | 91.1 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -59.9 | 139.8 | 161.2 | -61.4 | 177.9 | 0 | 0 | 0 | 110.2 | L88 I104 F107 L128 N131 R132 I133 | L88-L109 HydrophobicContact CB-CD1 4.43Å; L88-L109 HydrophobicContact CB-CD2 4.24Å; L88-L109 HydrophobicContact CD2-CD1 4.29Å; I104-L109 HydrophobicContact CB-CD1 4.49Å; I104-L109 HydrophobicContact CG2-CD1 3.97Å; F107-L109 HydrophobicContact CB-CG 4.44Å; F107-L109 HydrophobicContact CD1-CD2 4.24Å; F107-L109 HydrophobicContact CD1-CG 4.44Å; L109-L128 HydrophobicContact CD1-CD2 4.42Å; L109-N131 HydrophobicContact CB-CB 3.99Å; L109-R132 CarbonylContact O-C 3.52Å; L109-R132 VanDerWaalsContact O-CA 3.32Å; L109-R132 WeakPolarHBondContact O-CA 3.39Å; L109-R132 PolarHBondContact O-N 3.03Å; L109-I133 HydrophobicContact CB-CD1 4.35Å; L109-I133 HydrophobicContact CB-CG1 4Å; L109-I133 PolarHBondContact O-N 3.48Å; L109-I133 VanDerWaalsContact O-N 3.17Å | ||
| 110 | K | 90.8 | Very high | 91.2 | Very high | 82 Ų | 82 | 29.9 Ų | 29.9 | 36% | 0.357 | 16% | 0.157 | S | C | . | . | trans | -127.4 | -29.3 | -173.3 | -67.6 | 169.8 | -170.9 | 91.1 | 0 | 112.5 | G86 D108 R132 I133 I134 T135 | G86-K110 PolarHBondContact O-N 3.47Å; D108-K110 PolarHBondContact O-NZ 3.08Å; D108-K110 WeakPolarHBondContact OD1-CE 3.33Å; D108-K110 IonicContact OD1-NZ 2.75Å; D108-K110 PolarHBondContact OD1-NZ 2.98Å; D108-K110 WeakPolarHBondContact OD2-CE 3.38Å; D108-K110 IonicContact OD2-NZ 3.68Å; D108-K110 PolarHBondContact OD2-NZ 3.35Å; K110-R132 WeakPolarHBondContact CA-O 3.07Å; K110-R132 HydrophobicContact CG-CB 4.39Å; K110-I133 WeakPolarHBondContact O-CA 3.42Å; K110-I134 PolarHBondContact O-N 2.83Å; K110-T135 PolarHBondContact O-N 3.26Å | ||
| 111 | E | 92.7 | Very high | 91.1 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 18% | 0.178 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 145.8 | -178.6 | -176.6 | 168.8 | -143.5 | 0 | 0 | 112 | G86 I87 L88 T135 R137 | G86-E111 PolarHBondContact O-N 3.46Å; G86-E111 VanDerWaalsContact O-N 3.14Å; I87-E111 WeakPolarHBondContact CA-O 3.38Å; I87-E111 HydrophobicContact CG1-CB 4.42Å; I87-E111 HydrophobicContact CG2-CB 4.39Å; I87-E111 HydrophobicContact CG2-CG 4.49Å; L88-E111 PolarHBondContact N-O 3.47Å; E111-T135 WeakPolarHBondContact CA-O 3.21Å; E111-T135 HydrophobicContact CG-CG2 4.12Å; E111-T135 WeakPolarHBondContact OE1-CG2 3.42Å; E111-R137 VanDerWaalsContact CD-NE 3.29Å; E111-R137 HydrophobicContact CG-CG 4.46Å; E111-R137 IonicContact OE1-CZ 2.75Å; E111-R137 IonicContact OE1-NE 2.68Å; E111-R137 PolarHBondContact OE1-NE 3.49Å; E111-R137 IonicContact OE1-NH2 3.23Å; E111-R137 PolarHBondContact OE1-NH2 2.92Å; E111-R137 IonicContact OE2-CZ 3.57Å; E111-R137 IonicContact OE2-NE 2.99Å; E111-R137 IonicContact OE2-NH2 3.82Å; E111-R137 PolarHBondContact OE2-NH2 3.11Å |
| 112 | I | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.6 | 169 | -45.4 | 176.5 | 0 | 0 | 0 | 108.7 | T116 F117 L128 I133 T135 I136 R137 A140 F141 | I112-T116 HydrophobicContact CG2-CG2 4.11Å; I112-F117 HydrophobicContact CG2-CE2 3.91Å; I112-L128 HydrophobicContact CD1-CD1 3.56Å; I112-I133 HydrophobicContact CD1-CD1 4.27Å; I112-I133 HydrophobicContact CD1-CG2 4.4Å; I112-I133 HydrophobicContact CG1-CD1 4.4Å; I112-I133 HydrophobicContact CG1-CG2 4.21Å; I112-T135 PolarHBondContact N-O 3.34Å; I112-I136 HydrophobicContact CD1-CG1 4.25Å; I112-R137 PolarHBondContact O-N 3.39Å; I112-R137 VanDerWaalsContact O-N 3.08Å; I112-A140 HydrophobicContact CB-CB 4.24Å; I112-A140 HydrophobicContact CG2-CB 3.87Å; I112-F141 HydrophobicContact CD1-CE1 3.77Å; I112-F141 HydrophobicContact CD1-CZ 3.59Å |
| 113 | E | 93.7 | Very high | 91.1 | Very high | 52 Ų | 52 | 36.8 Ų | 36.8 | 24% | 0.243 | 19% | 0.188 | C | C | . | . | trans | -82.3 | 161 | 178.7 | -51.3 | -157 | 130.9 | 0 | 0 | 113 | I87 L88 T89 T116 R137 A140 | I87-E113 HydrophobicContact CG2-CG 3.44Å; I87-E113 VanDerWaalsContact CG2-CG 3.44Å; L88-E113 PolarHBondContact O-N 2.87Å; T89-E113 VanDerWaalsContact CB-OE2 3.31Å; T89-E113 WeakPolarHBondContact CB-OE2 3.5Å; T89-E113 HydrophobicContact CG2-CG 4.06Å; T89-E113 WeakPolarHBondContact CG2-OE2 3.45Å; E113-T116 PolarHBondContact N-OG1 3.36Å; E113-T116 WeakPolarHBondContact O-CB 3.39Å; E113-T116 PolarHBondContact O-N 3.09Å; E113-T116 PolarHBondContact O-OG1 3.41Å; E113-R137 IonicContact OE1-CZ 2.84Å; E113-R137 VanDerWaalsContact OE1-CZ 3.23Å; E113-R137 IonicContact OE1-NH1 2.75Å; E113-R137 PolarHBondContact OE1-NH1 2.74Å; E113-R137 IonicContact OE1-NH2 3.19Å; E113-R137 PolarHBondContact OE1-NH2 3.44Å; E113-A140 WeakPolarHBondContact O-CA 3.5Å; E113-A140 WeakPolarHBondContact O-CB 3.29Å | ||
| 114 | S | 93.8 | Very high | 91.2 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 33% | 0.329 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 136.8 | 174.6 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | T116 S138 | S114-T116 PolarHBondContact O-N 3.03Å; S114-T116 VanDerWaalsContact O-N 3.09Å; S114-S138 VanDerWaalsContact CA-O 3.3Å; S114-S138 WeakPolarHBondContact CA-O 3.27Å; S114-S138 WeakPolarHBondContact CB-O 3.27Å; S114-S138 PolarHBondContact OG-O 2.85Å |
| 115 | H | 93.2 | Very high | 91.4 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 39% | 0.394 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 19 | 178.7 | -42.9 | -69.4 | 0 | 0 | 0 | 115.7 | F117 S118 E139 | H115-F117 VanDerWaalsContact C-N 3.25Å; H115-F117 PolarHBondContact O-N 3.12Å; H115-F117 VanDerWaalsContact O-N 3.16Å; H115-S118 WeakPolarHBondContact O-CB 3.17Å; H115-S118 PolarHBondContact O-N 3.28Å; H115-S118 PolarHBondContact O-OG 2.75Å; H115-E139 WeakPolarHBondContact CA-O 3.36Å; H115-E139 IonicContact CE1-OE2 2.66Å; H115-E139 PolarHBondContact CE1-OE2 3.27Å; H115-E139 VanDerWaalsContact CE1-OE2 3.27Å; H115-E139 PolarHBondContact N-O 3.48Å |
| 116 | T | 93.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -41.6 | -178 | -74.9 | 0 | 0 | 0 | 0 | 113.4 | L88 L93 I112 E113 S114 A140 | L88-T116 HydrophobicContact CD2-CG2 4.09Å; L88-T116 HydrophobicContact CG-CG2 3.85Å; L88-T116 PolarHBondContact O-OG1 3.4Å; L93-T116 HydrophobicContact CD1-CG2 3.81Å; I112-T116 HydrophobicContact CG2-CG2 4.11Å; E113-T116 PolarHBondContact N-OG1 3.36Å; E113-T116 WeakPolarHBondContact O-CB 3.39Å; E113-T116 PolarHBondContact O-N 3.09Å; E113-T116 PolarHBondContact O-OG1 3.41Å; S114-T116 PolarHBondContact O-N 3.03Å; S114-T116 VanDerWaalsContact O-N 3.09Å; T116-A140 PolarHBondContact N-O 3.13Å |
| 117 | F | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 5.6 | -179.3 | -54.4 | -76.4 | 0 | 0 | 0 | 114.4 | L88 L93 L102 I112 H115 A119 M120 L123 L126 L128 A140 F141 P144 | L88-F117 HydrophobicContact CD2-CE1 4.02Å; L88-F117 HydrophobicContact CD2-CZ 3.57Å; L93-F117 HydrophobicContact CD1-CD1 3.63Å; L93-F117 HydrophobicContact CD1-CE1 3.59Å; L102-F117 HydrophobicContact CD2-CE1 4.05Å; I112-F117 HydrophobicContact CG2-CE2 3.91Å; H115-F117 VanDerWaalsContact C-N 3.25Å; H115-F117 PolarHBondContact O-N 3.12Å; H115-F117 VanDerWaalsContact O-N 3.16Å; F117-A119 PolarHBondContact O-N 2.96Å; F117-A119 VanDerWaalsContact O-N 3.11Å; F117-M120 HydrophobicContact CD1-SD 3.9Å; F117-M120 WeakPolarHBondContact O-CB 3.42Å; F117-M120 PolarHBondContact O-N 3.26Å; F117-L123 HydrophobicContact CD1-CD2 4.26Å; F117-L126 HydrophobicContact CD1-CD1 4.42Å; F117-L126 HydrophobicContact CD1-CD2 3.93Å; F117-L126 HydrophobicContact CD2-CD2 3.89Å; F117-L126 HydrophobicContact CE1-CD1 3.74Å; F117-L126 HydrophobicContact CE1-CD2 3.7Å; F117-L126 HydrophobicContact CE1-CG 4.41Å; F117-L126 HydrophobicContact CE2-CD2 3.65Å; F117-L126 HydrophobicContact CG-CD2 4.03Å; F117-L126 HydrophobicContact CZ-CD1 4.02Å; F117-L126 HydrophobicContact CZ-CD2 3.56Å; F117-L126 HydrophobicContact CZ-CG 4.41Å; F117-L128 HydrophobicContact CE2-CD1 4.49Å; F117-L128 HydrophobicContact CZ-CD1 4.03Å; F117-A140 WeakPolarHBondContact CD2-O 3.3Å; F117-F141 AromaticContact CD2-CD1 3.82Å; F117-F141 HydrophobicContact CD2-CD1 3.82Å; F117-F141 HydrophobicContact CD2-CE1 4.37Å; F117-F141 AromaticContact CE2-CD1 3.77Å; F117-F141 HydrophobicContact CE2-CD1 3.77Å; F117-F141 AromaticContact CE2-CE1 3.83Å; F117-F141 HydrophobicContact CE2-CE1 3.83Å; F117-P144 HydrophobicContact CB-CG 3.87Å |
| 118 | S | 92.5 | Very high | 92.8 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.8 | -169.6 | 56.4 | 0 | 0 | 0 | 0 | 115.5 | R90 H115 A142 | R90-S118 PolarHBondContact NH1-OG 3.1Å; H115-S118 WeakPolarHBondContact O-CB 3.17Å; H115-S118 PolarHBondContact O-N 3.28Å; H115-S118 PolarHBondContact O-OG 2.75Å; S118-A142 WeakPolarHBondContact CA-O 3.44Å |
| 119 | A | 90.2 | Very high | 93.2 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 26% | 0.256 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -4.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E97 F117 E121 | E97-A119 HydrophobicContact CG-CB 4.14Å; F117-A119 PolarHBondContact O-N 2.96Å; F117-A119 VanDerWaalsContact O-N 3.11Å; A119-E121 PolarHBondContact O-N 3.12Å |
| 120 | M | 92.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -99.4 | 56.1 | -169.9 | -54.6 | -173.5 | 72.5 | 0 | 0 | 112.3 | L93 L99 L102 F117 H122 L123 | L93-M120 HydrophobicContact CB-SD 4.34Å; L93-M120 HydrophobicContact CD1-SD 3.88Å; L99-M120 HydrophobicContact CB-CE 3.76Å; L99-M120 HydrophobicContact CD1-CE 3.78Å; L99-M120 HydrophobicContact CG-CE 4.28Å; L102-M120 HydrophobicContact CD2-CE 4.16Å; L102-M120 HydrophobicContact CD2-SD 4.35Å; F117-M120 HydrophobicContact CD1-SD 3.9Å; F117-M120 WeakPolarHBondContact O-CB 3.42Å; F117-M120 PolarHBondContact O-N 3.26Å; M120-H122 PolarHBondContact O-N 2.97Å; M120-L123 HydrophobicContact CB-CB 3.89Å; M120-L123 HydrophobicContact CB-CD2 4.25Å; M120-L123 HydrophobicContact CE-CD1 4.18Å; M120-L123 HydrophobicContact CE-CD2 4.1Å; M120-L123 VanDerWaalsContact O-CB 3.24Å; M120-L123 WeakPolarHBondContact O-CB 3.3Å; M120-L123 PolarHBondContact O-N 3.16Å; M120-L123 HydrophobicContact SD-CD2 4.04Å | ||
| 121 | E | 90.5 | Very high | 93.4 | Very high | 142 Ų | 142 | 38.8 Ų | 38.8 | 66% | 0.664 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28.8 | -173.8 | -61.8 | -175.3 | -177.1 | 0 | 0 | 114.5 | A119 R124 | A119-E121 PolarHBondContact O-N 3.12Å; E121-R124 PolarHBondContact O-NH1 2.73Å; E121-R124 PolarHBondContact O-NH2 3.47Å |
| 122 | H | 92.2 | Very high | 93.3 | Very high | 99 Ų | 99 | 43.2 Ų | 43.2 | 46% | 0.458 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7 | -179.6 | -62.6 | -26.1 | 0 | 0 | 0 | 114.3 | L99 T100 M120 R124 | L99-H122 CarbonylContact O-C 3.54Å; L99-H122 VanDerWaalsContact O-C 3.23Å; T100-H122 WeakPolarHBondContact CA-O 3.24Å; T100-H122 HydrophobicContact CG2-CB 4.42Å; M120-H122 PolarHBondContact O-N 2.97Å; H122-R124 VanDerWaalsContact C-NH1 3.34Å; H122-R124 PolarHBondContact O-N 3.37Å; H122-R124 PolarHBondContact O-NH1 2.99Å |
| 123 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -67 | 127.6 | -176.5 | -170.7 | 64.4 | 0 | 0 | 0 | 111.4 | L99 L102 F117 M120 I125 L126 P144 L146 | L99-L123 VanDerWaalsContact O-CA 3.22Å; L99-L123 WeakPolarHBondContact O-CA 3.28Å; L99-L123 PolarHBondContact O-N 3.44Å; L99-L123 VanDerWaalsContact O-N 3.1Å; L102-L123 HydrophobicContact CB-CD1 3.82Å; F117-L123 HydrophobicContact CD1-CD2 4.26Å; M120-L123 HydrophobicContact CB-CB 3.89Å; M120-L123 HydrophobicContact CB-CD2 4.25Å; M120-L123 HydrophobicContact CE-CD1 4.18Å; M120-L123 HydrophobicContact CE-CD2 4.1Å; M120-L123 VanDerWaalsContact O-CB 3.24Å; M120-L123 WeakPolarHBondContact O-CB 3.3Å; M120-L123 PolarHBondContact O-N 3.16Å; M120-L123 HydrophobicContact SD-CD2 4.04Å; L123-I125 WeakPolarHBondContact CD1-O 3.27Å; L123-L126 HydrophobicContact CD2-CB 4.25Å; L123-L126 HydrophobicContact CD2-CD2 4.46Å; L123-P144 HydrophobicContact CB-CB 4.11Å; L123-L146 HydrophobicContact CB-CD2 4.34Å; L123-L146 HydrophobicContact CD2-CD2 3.99Å; L123-L146 HydrophobicContact CG-CD2 3.78Å | ||
| 124 | R | 94.4 | Very high | 93.3 | Very high | 90 Ų | 90 | 44.6 Ų | 44.6 | 34% | 0.34 | 22% | 0.216 | S | C | . | . | trans | -122.5 | -25.8 | 179.6 | -58.5 | -59 | 169.8 | -105.6 | 0.3 | 112.8 | T100 E121 H122 S145 L146 K147 L148 | T100-R124 PolarHBondContact O-N 3.37Å; E121-R124 PolarHBondContact O-NH1 2.73Å; E121-R124 PolarHBondContact O-NH2 3.47Å; H122-R124 VanDerWaalsContact C-NH1 3.34Å; H122-R124 PolarHBondContact O-N 3.37Å; H122-R124 PolarHBondContact O-NH1 2.99Å; R124-S145 WeakPolarHBondContact CD-O 3.37Å; R124-L146 CarbonylContact O-C 3.57Å; R124-K147 HydrophobicContact CB-CG 4.36Å; R124-K147 WeakPolarHBondContact O-CA 3.19Å; R124-K147 WeakPolarHBondContact O-CB 3.31Å; R124-K147 PolarHBondContact O-N 3.01Å; R124-L148 PolarHBondContact O-N 3.17Å; R124-L148 VanDerWaalsContact O-N 3.14Å | ||
| 125 | I | 94.6 | Very high | 93.2 | Very high | 52 Ų | 52 | 45 Ų | 45 | 27% | 0.267 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.3 | 175.3 | -64.1 | 168.4 | 0 | 0 | 0 | 108.4 | T100 Y101 L102 L123 L148 | T100-I125 PolarHBondContact O-N 2.72Å; T100-I125 VanDerWaalsContact O-N 3.07Å; Y101-I125 WeakPolarHBondContact CA-O 3.37Å; Y101-I125 HydrophobicContact CD2-CB 3.62Å; Y101-I125 HydrophobicContact CD2-CD1 3.77Å; Y101-I125 HydrophobicContact CD2-CG1 4.27Å; Y101-I125 HydrophobicContact CD2-CG2 3.62Å; Y101-I125 HydrophobicContact CE2-CB 4.05Å; Y101-I125 HydrophobicContact CE2-CD1 4.05Å; Y101-I125 HydrophobicContact CE2-CG2 3.51Å; Y101-I125 HydrophobicContact CG-CB 4.28Å; Y101-I125 HydrophobicContact CG-CG2 4.38Å; L102-I125 PolarHBondContact N-O 3.32Å; L123-I125 WeakPolarHBondContact CD1-O 3.27Å; I125-L148 HydrophobicContact CG1-CB 4.26Å; I125-L148 HydrophobicContact CG2-CB 4.33Å; I125-L148 HydrophobicContact CG2-CD2 4.15Å |
| 126 | L | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 113.8 | 174.3 | 177.2 | 55.2 | 0 | 0 | 0 | 108.7 | L102 F117 L123 L128 F141 L146 L148 L149 S150 | L102-L126 HydrophobicContact CB-CD1 4.18Å; L102-L126 HydrophobicContact CD2-CD1 3.99Å; L102-L126 HydrophobicContact CG-CD1 4.12Å; L102-L126 WeakPolarHBondContact O-CA 3.28Å; F117-L126 HydrophobicContact CD1-CD1 4.42Å; F117-L126 HydrophobicContact CD1-CD2 3.93Å; F117-L126 HydrophobicContact CD2-CD2 3.89Å; F117-L126 HydrophobicContact CE1-CD1 3.74Å; F117-L126 HydrophobicContact CE1-CD2 3.7Å; F117-L126 HydrophobicContact CE1-CG 4.41Å; F117-L126 HydrophobicContact CE2-CD2 3.65Å; F117-L126 HydrophobicContact CG-CD2 4.03Å; F117-L126 HydrophobicContact CZ-CD1 4.02Å; F117-L126 HydrophobicContact CZ-CD2 3.56Å; F117-L126 HydrophobicContact CZ-CG 4.41Å; L123-L126 HydrophobicContact CD2-CB 4.25Å; L123-L126 HydrophobicContact CD2-CD2 4.46Å; L126-L128 HydrophobicContact CD1-CD1 4.41Å; L126-L128 HydrophobicContact CD1-CD2 3.92Å; L126-L128 HydrophobicContact CD1-CG 3.95Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CG-CD1 4.43Å; L126-L128 HydrophobicContact CG-CG 4.2Å; L126-F141 HydrophobicContact CD2-CD1 4.11Å; L126-F141 HydrophobicContact CD2-CE1 4.19Å; L126-L146 HydrophobicContact CB-CD1 4.06Å; L126-L146 HydrophobicContact CB-CD2 3.98Å; L126-L146 HydrophobicContact CD2-CD1 4.14Å; L126-L148 PolarHBondContact N-O 3.09Å; L126-L149 HydrophobicContact CB-CD1 4.15Å; L126-L149 HydrophobicContact CD2-CD1 3.84Å; L126-L149 HydrophobicContact CG-CD1 3.88Å; L126-L149 WeakPolarHBondContact O-CA 3.48Å; L126-S150 PolarHBondContact O-N 2.91Å |
| 127 | D | 95.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 45 Ų | 45 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109.2 | 175.6 | -179.4 | 31.9 | 0 | 0 | 0 | 110.9 | L102 Q103 I104 S129 S150 | L102-D127 PolarHBondContact O-N 3.17Å; Q103-D127 CarbonylContact C-O 3.59Å; Q103-D127 VanDerWaalsContact CA-O 3.28Å; Q103-D127 WeakPolarHBondContact CA-O 3.47Å; Q103-D127 HydrophobicContact CB-CB 4.2Å; Q103-D127 HydrophobicContact CG-CB 4.02Å; Q103-D127 PolarHBondContact NE2-OD2 3.45Å; I104-D127 PolarHBondContact N-O 2.67Å; D127-S129 VanDerWaalsContact CG-OG 3.29Å; D127-S129 WeakPolarHBondContact OD1-CB 3.45Å; D127-S129 PolarHBondContact OD1-N 3.03Å; D127-S129 PolarHBondContact OD1-OG 3.35Å; D127-S129 PolarHBondContact OD2-OG 3.45Å; D127-S150 WeakPolarHBondContact OD1-CB 3.35Å; D127-S150 PolarHBondContact OD1-OG 2.87Å |
| 128 | L | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -108.4 | 27.5 | 174.8 | -57.2 | 175 | 0 | 0 | 0 | 110.6 | L88 I104 L109 I112 F117 L126 N131 I133 F141 S150 L151 N154 | L88-L128 HydrophobicContact CD2-CD2 4.34Å; I104-L128 HydrophobicContact CB-CD2 4.09Å; I104-L128 HydrophobicContact CD1-CD2 4.43Å; I104-L128 HydrophobicContact CG1-CD2 4.46Å; I104-L128 WeakPolarHBondContact O-CA 3.48Å; L109-L128 HydrophobicContact CD1-CD2 4.42Å; I112-L128 HydrophobicContact CD1-CD1 3.56Å; F117-L128 HydrophobicContact CE2-CD1 4.49Å; F117-L128 HydrophobicContact CZ-CD1 4.03Å; L126-L128 HydrophobicContact CD1-CD1 4.41Å; L126-L128 HydrophobicContact CD1-CD2 3.92Å; L126-L128 HydrophobicContact CD1-CG 3.95Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CG-CD1 4.43Å; L126-L128 HydrophobicContact CG-CG 4.2Å; L128-N131 PolarHBondContact O-ND2 3.39Å; L128-I133 HydrophobicContact CB-CD1 3.93Å; L128-I133 HydrophobicContact CD1-CD1 4.28Å; L128-F141 HydrophobicContact CD1-CE1 4.34Å; L128-S150 PolarHBondContact N-O 3.45Å; L128-L151 HydrophobicContact CB-CD2 4.2Å; L128-L151 HydrophobicContact CD1-CD2 4.23Å; L128-N154 PolarHBondContact O-ND2 3.14Å | ||
| 129 | S | 93.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 152.7 | -177.1 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | S105 D127 N131 T152 | S105-S129 VanDerWaalsContact CA-O 3.24Å; S105-S129 WeakPolarHBondContact CA-O 3.4Å; S105-S129 VanDerWaalsContact CB-O 3.24Å; S105-S129 WeakPolarHBondContact CB-O 3.3Å; D127-S129 VanDerWaalsContact CG-OG 3.29Å; D127-S129 WeakPolarHBondContact OD1-CB 3.45Å; D127-S129 PolarHBondContact OD1-N 3.03Å; D127-S129 PolarHBondContact OD1-OG 3.35Å; D127-S129 PolarHBondContact OD2-OG 3.45Å; S129-N131 VanDerWaalsContact C-N 3.32Å; S129-N131 PolarHBondContact O-N 2.8Å; S129-N131 PolarHBondContact O-ND2 2.84Å; S129-T152 CarbonylContact C-O 3.57Å; S129-T152 WeakPolarHBondContact CA-O 3.5Å; S129-T152 WeakPolarHBondContact CB-O 3.43Å |
| 130 | K | 91.9 | Very high | 93.4 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 47% | 0.474 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 38.8 | 177.4 | -55.5 | 170.6 | -178.1 | 177 | 0 | 113.7 | N106 T152 D153 | N106-K130 WeakPolarHBondContact CA-O 3.32Å; N106-K130 PolarHBondContact N-O 2.89Å; N106-K130 WeakPolarHBondContact OD1-CB 3.23Å; K130-T152 PolarHBondContact N-O 2.82Å; K130-D153 HydrophobicContact CB-CB 4.28Å; K130-D153 WeakPolarHBondContact CE-OD2 3.43Å; K130-D153 HydrophobicContact CG-CB 3.59Å; K130-D153 WeakPolarHBondContact CG-OD2 3.43Å |
| 131 | N | 91.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -103.5 | -165.7 | 164.2 | -66.3 | -71 | 0 | 0 | 0 | 109.3 | I104 F107 D108 L109 L128 S129 I133 N154 | I104-N131 PolarHBondContact O-ND2 3.2Å; F107-N131 PolarHBondContact N-OD1 3.37Å; D108-N131 PolarHBondContact N-OD1 3.5Å; L109-N131 HydrophobicContact CB-CB 3.99Å; L128-N131 PolarHBondContact O-ND2 3.39Å; S129-N131 VanDerWaalsContact C-N 3.32Å; S129-N131 PolarHBondContact O-N 2.8Å; S129-N131 PolarHBondContact O-ND2 2.84Å; N131-I133 HydrophobicContact CB-CD1 4.06Å; N131-I133 HydrophobicContact CB-CG1 3.95Å; N131-N154 WeakPolarHBondContact CA-OD1 3.47Å; N131-N154 VanDerWaalsContact CB-OD1 3.28Å; N131-N154 WeakPolarHBondContact CB-OD1 3.44Å; N131-N154 PolarHBondContact N-OD1 2.96Å; N131-N154 PolarHBondContact O-OD1 2.89Å |
| 132 | R | 91.8 | Very high | 93.7 | Very high | 132 Ų | 132 | 41 Ų | 41 | 50% | 0.498 | 19% | 0.193 | S | C | . | . | trans | -119.3 | 37.3 | 176.1 | -56.8 | -163.8 | -173.6 | 123.9 | -6.6 | 110.5 | D108 L109 K110 I134 N154 | D108-R132 WeakPolarHBondContact OD1-CD 3.43Å; D108-R132 WeakPolarHBondContact OD1-CG 3.37Å; D108-R132 IonicContact OD1-CZ 3.93Å; D108-R132 IonicContact OD1-NE 3.78Å; D108-R132 IonicContact OD1-NH1 2.65Å; D108-R132 PolarHBondContact OD1-NH1 2.95Å; D108-R132 IonicContact OD2-NH1 3.56Å; D108-R132 PolarHBondContact OD2-NH1 3.44Å; D108-R132 VanDerWaalsContact OD2-NH1 3.16Å; L109-R132 CarbonylContact O-C 3.52Å; L109-R132 VanDerWaalsContact O-CA 3.32Å; L109-R132 WeakPolarHBondContact O-CA 3.39Å; L109-R132 PolarHBondContact O-N 3.03Å; K110-R132 WeakPolarHBondContact CA-O 3.07Å; K110-R132 HydrophobicContact CG-CB 4.39Å; R132-I134 PolarHBondContact O-N 3.25Å; R132-I134 VanDerWaalsContact O-N 3.15Å; R132-N154 PolarHBondContact N-OD1 2.95Å | ||
| 133 | I | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -67.7 | 113.4 | -174.7 | -60.6 | 164 | 0 | 0 | 0 | 108.5 | L109 K110 I112 L128 N131 I136 N154 I157 | L109-I133 HydrophobicContact CB-CD1 4.35Å; L109-I133 HydrophobicContact CB-CG1 4Å; L109-I133 PolarHBondContact O-N 3.48Å; L109-I133 VanDerWaalsContact O-N 3.17Å; K110-I133 WeakPolarHBondContact O-CA 3.42Å; I112-I133 HydrophobicContact CD1-CD1 4.27Å; I112-I133 HydrophobicContact CD1-CG2 4.4Å; I112-I133 HydrophobicContact CG1-CD1 4.4Å; I112-I133 HydrophobicContact CG1-CG2 4.21Å; L128-I133 HydrophobicContact CB-CD1 3.93Å; L128-I133 HydrophobicContact CD1-CD1 4.28Å; N131-I133 HydrophobicContact CB-CD1 4.06Å; N131-I133 HydrophobicContact CB-CG1 3.95Å; I133-I136 HydrophobicContact CG2-CG1 3.98Å; I133-N154 HydrophobicContact CB-CB 4.34Å; I133-N154 VanDerWaalsContact CB-OD1 3.31Å; I133-N154 WeakPolarHBondContact CB-OD1 3.19Å; I133-N154 WeakPolarHBondContact CG1-OD1 3.35Å; I133-N154 PolarHBondContact N-OD1 2.88Å; I133-I157 HydrophobicContact CB-CD1 4.34Å; I133-I157 HydrophobicContact CG2-CD1 4.06Å; I133-I157 WeakPolarHBondContact O-CB 3.36Å; I133-I157 VanDerWaalsContact O-CG1 3.27Å; I133-I157 WeakPolarHBondContact O-CG1 3.47Å | ||
| 134 | I | 92.8 | Very high | 93.5 | Very high | 80 Ų | 80 | 38.8 Ų | 38.8 | 41% | 0.41 | 20% | 0.196 | S | C | . | . | trans | -104.8 | -40.3 | 177.8 | -68.6 | 161.8 | 0 | 0 | 0 | 109.6 | K110 R132 I158 | K110-I134 PolarHBondContact O-N 2.83Å; R132-I134 PolarHBondContact O-N 3.25Å; R132-I134 VanDerWaalsContact O-N 3.15Å; I134-I158 PolarHBondContact O-N 3.06Å | ||
| 135 | T | 92.6 | Very high | 93.4 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.7 | -174.3 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | K110 E111 I112 | K110-T135 PolarHBondContact O-N 3.26Å; E111-T135 WeakPolarHBondContact CA-O 3.21Å; E111-T135 HydrophobicContact CG-CG2 4.12Å; E111-T135 WeakPolarHBondContact OE1-CG2 3.42Å; I112-T135 PolarHBondContact N-O 3.34Å |
| 136 | I | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 107.7 | 168.8 | -60.2 | 165.4 | 0 | 0 | 0 | 107.6 | I112 I133 A140 F141 L151 I157 F159 S163 | I112-I136 HydrophobicContact CD1-CG1 4.25Å; I133-I136 HydrophobicContact CG2-CG1 3.98Å; I136-A140 HydrophobicContact CG2-CB 3.57Å; I136-F141 HydrophobicContact CD1-CE2 4.06Å; I136-F141 HydrophobicContact CD1-CZ 4.23Å; I136-F141 HydrophobicContact CG2-CD2 4.35Å; I136-F141 HydrophobicContact CG2-CE2 3.73Å; I136-F141 HydrophobicContact CG2-CZ 4.26Å; I136-L151 HydrophobicContact CD1-CD1 4.03Å; I136-I157 HydrophobicContact CD1-CD1 3.8Å; I136-I157 HydrophobicContact CD1-CG1 4.19Å; I136-F159 HydrophobicContact CD1-CD1 3.93Å; I136-F159 HydrophobicContact CD1-CE1 3.81Å; I136-S163 WeakPolarHBondContact O-CB 3.24Å; I136-S163 PolarHBondContact O-OG 3.38Å |
| 137 | R | 94 | Very high | 93.3 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | trans | -65.7 | 161.9 | -179 | -59.2 | -166.8 | -164.5 | 144.9 | 15.2 | 111.6 | E111 I112 E113 E139 A140 | E111-R137 VanDerWaalsContact CD-NE 3.29Å; E111-R137 HydrophobicContact CG-CG 4.46Å; E111-R137 IonicContact OE1-CZ 2.75Å; E111-R137 IonicContact OE1-NE 2.68Å; E111-R137 PolarHBondContact OE1-NE 3.49Å; E111-R137 IonicContact OE1-NH2 3.23Å; E111-R137 PolarHBondContact OE1-NH2 2.92Å; E111-R137 IonicContact OE2-CZ 3.57Å; E111-R137 IonicContact OE2-NE 2.99Å; E111-R137 IonicContact OE2-NH2 3.82Å; E111-R137 PolarHBondContact OE2-NH2 3.11Å; I112-R137 PolarHBondContact O-N 3.39Å; I112-R137 VanDerWaalsContact O-N 3.08Å; E113-R137 IonicContact OE1-CZ 2.84Å; E113-R137 VanDerWaalsContact OE1-CZ 3.23Å; E113-R137 IonicContact OE1-NH1 2.75Å; E113-R137 PolarHBondContact OE1-NH1 2.74Å; E113-R137 IonicContact OE1-NH2 3.19Å; E113-R137 PolarHBondContact OE1-NH2 3.44Å; R137-E139 PolarHBondContact O-N 3.24Å; R137-A140 WeakPolarHBondContact O-CB 3.38Å; R137-A140 PolarHBondContact O-N 2.83Å | ||
| 138 | S | 92.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 42.8 Ų | 42.8 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | 132.5 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | S114 A140 T162 | S114-S138 VanDerWaalsContact CA-O 3.3Å; S114-S138 WeakPolarHBondContact CA-O 3.27Å; S114-S138 WeakPolarHBondContact CB-O 3.27Å; S114-S138 PolarHBondContact OG-O 2.85Å; S138-A140 PolarHBondContact O-N 2.93Å; S138-A140 VanDerWaalsContact O-N 3.13Å; S138-T162 WeakPolarHBondContact CA-O 3.1Å; S138-T162 VanDerWaalsContact OG-CB 3.27Å; S138-T162 WeakPolarHBondContact OG-CB 3.25Å; S138-T162 PolarHBondContact OG-OG1 3.2Å |
| 139 | E | 92.5 | Very high | 93.3 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 23.4 | 172.5 | -60.7 | 178.3 | -147.3 | 0 | 0 | 115.1 | H115 R137 F141 A142 T162 H165 | H115-E139 WeakPolarHBondContact CA-O 3.36Å; H115-E139 IonicContact CE1-OE2 2.66Å; H115-E139 PolarHBondContact CE1-OE2 3.27Å; H115-E139 VanDerWaalsContact CE1-OE2 3.27Å; H115-E139 PolarHBondContact N-O 3.48Å; R137-E139 PolarHBondContact O-N 3.24Å; E139-F141 VanDerWaalsContact C-N 3.27Å; E139-F141 PolarHBondContact O-N 2.9Å; E139-A142 HydrophobicContact CB-CB 3.97Å; E139-A142 VanDerWaalsContact O-CB 3.32Å; E139-A142 WeakPolarHBondContact O-CB 3.37Å; E139-A142 PolarHBondContact O-N 2.85Å; E139-A142 VanDerWaalsContact O-N 3.12Å; E139-T162 PolarHBondContact N-O 2.8Å; E139-H165 HydrophobicContact CG-CB 3.67Å; E139-H165 IonicContact OE1-CE1 3.27Å; E139-H165 IonicContact OE1-CG 2.78Å; E139-H165 IonicContact OE1-ND1 3.12Å; E139-H165 PolarHBondContact OE1-ND1 3.44Å |
| 140 | A | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | I112 E113 T116 F117 I136 R137 S138 | I112-A140 HydrophobicContact CB-CB 4.24Å; I112-A140 HydrophobicContact CG2-CB 3.87Å; E113-A140 WeakPolarHBondContact O-CA 3.5Å; E113-A140 WeakPolarHBondContact O-CB 3.29Å; T116-A140 PolarHBondContact N-O 3.13Å; F117-A140 WeakPolarHBondContact CD2-O 3.3Å; I136-A140 HydrophobicContact CG2-CB 3.57Å; R137-A140 WeakPolarHBondContact O-CB 3.38Å; R137-A140 PolarHBondContact O-N 2.83Å; S138-A140 PolarHBondContact O-N 2.93Å; S138-A140 VanDerWaalsContact O-N 3.13Å |
| 141 | F | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 13.8 | 179.6 | -52.8 | -68.3 | 0 | 0 | 0 | 114.1 | I112 F117 L126 L128 I136 E139 L149 L151 F164 A167 | I112-F141 HydrophobicContact CD1-CE1 3.77Å; I112-F141 HydrophobicContact CD1-CZ 3.59Å; F117-F141 AromaticContact CD2-CD1 3.82Å; F117-F141 HydrophobicContact CD2-CD1 3.82Å; F117-F141 HydrophobicContact CD2-CE1 4.37Å; F117-F141 AromaticContact CE2-CD1 3.77Å; F117-F141 HydrophobicContact CE2-CD1 3.77Å; F117-F141 AromaticContact CE2-CE1 3.83Å; F117-F141 HydrophobicContact CE2-CE1 3.83Å; L126-F141 HydrophobicContact CD2-CD1 4.11Å; L126-F141 HydrophobicContact CD2-CE1 4.19Å; L128-F141 HydrophobicContact CD1-CE1 4.34Å; I136-F141 HydrophobicContact CD1-CE2 4.06Å; I136-F141 HydrophobicContact CD1-CZ 4.23Å; I136-F141 HydrophobicContact CG2-CD2 4.35Å; I136-F141 HydrophobicContact CG2-CE2 3.73Å; I136-F141 HydrophobicContact CG2-CZ 4.26Å; E139-F141 VanDerWaalsContact C-N 3.27Å; E139-F141 PolarHBondContact O-N 2.9Å; F141-L149 HydrophobicContact CD1-CD1 4.26Å; F141-L149 HydrophobicContact CD1-CD2 3.91Å; F141-L149 HydrophobicContact CD2-CD2 3.98Å; F141-L149 HydrophobicContact CE1-CD1 3.86Å; F141-L149 HydrophobicContact CE1-CD2 3.94Å; F141-L149 HydrophobicContact CE2-CD2 3.98Å; F141-L149 HydrophobicContact CG-CD2 3.94Å; F141-L149 HydrophobicContact CZ-CD1 4.31Å; F141-L149 HydrophobicContact CZ-CD2 3.98Å; F141-L151 HydrophobicContact CZ-CD1 4.27Å; F141-L151 HydrophobicContact CZ-CD2 4.05Å; F141-F164 AromaticContact CD2-CD1 3.73Å; F141-F164 HydrophobicContact CD2-CD1 3.73Å; F141-F164 AromaticContact CD2-CE1 3.7Å; F141-F164 HydrophobicContact CD2-CE1 3.7Å; F141-F164 HydrophobicContact CE2-CD1 4.12Å; F141-F164 AromaticContact CE2-CE1 3.63Å; F141-F164 HydrophobicContact CE2-CE1 3.63Å; F141-F164 HydrophobicContact CE2-CZ 4.32Å; F141-A167 HydrophobicContact CB-CB 3.93Å |
| 142 | A | 93.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | trans | -70.5 | 136.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S118 E139 P144 G166 | S118-A142 WeakPolarHBondContact CA-O 3.44Å; E139-A142 HydrophobicContact CB-CB 3.97Å; E139-A142 VanDerWaalsContact O-CB 3.32Å; E139-A142 WeakPolarHBondContact O-CB 3.37Å; E139-A142 PolarHBondContact O-N 2.85Å; E139-A142 VanDerWaalsContact O-N 3.12Å; A142-P144 WeakPolarHBondContact O-CD 3.25Å; A142-G166 WeakPolarHBondContact CA-O 3.17Å | ||
| 143 | G | 89.9 | Confident | 94 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 117.9 | -73.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 144 | P | 93.1 | Very high | 94 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | trans | -71.8 | 138.2 | -172.3 | 29.2 | -35.8 | 0 | 0 | 0 | 113 | F117 L123 A142 L146 | F117-P144 HydrophobicContact CB-CG 3.87Å; L123-P144 HydrophobicContact CB-CB 4.11Å; A142-P144 WeakPolarHBondContact O-CD 3.25Å; P144-L146 HydrophobicContact CB-CD2 4.12Å; P144-L146 HydrophobicContact CB-CG 4.34Å; P144-L146 HydrophobicContact CG-CD2 4.35Å; P144-L146 HydrophobicContact CG-CG 4.32Å; P144-L146 PolarHBondContact O-N 2.87Å | ||
| 145 | S | 93.3 | Very high | 94 | Very high | 61 Ų | 61 | 33.3 Ų | 33.3 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 90.9 | 169.4 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | R124 H168 | R124-S145 WeakPolarHBondContact CD-O 3.37Å; S145-H168 CarbonylContact C-O 3.45Å |
| 146 | L | 94.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.9 | -175 | -62 | 176 | 0 | 0 | 0 | 111.7 | L123 R124 L126 P144 L149 H168 V169 F170 | L123-L146 HydrophobicContact CB-CD2 4.34Å; L123-L146 HydrophobicContact CD2-CD2 3.99Å; L123-L146 HydrophobicContact CG-CD2 3.78Å; R124-L146 CarbonylContact O-C 3.57Å; L126-L146 HydrophobicContact CB-CD1 4.06Å; L126-L146 HydrophobicContact CB-CD2 3.98Å; L126-L146 HydrophobicContact CD2-CD1 4.14Å; P144-L146 HydrophobicContact CB-CD2 4.12Å; P144-L146 HydrophobicContact CB-CG 4.34Å; P144-L146 HydrophobicContact CG-CD2 4.35Å; P144-L146 HydrophobicContact CG-CG 4.32Å; P144-L146 PolarHBondContact O-N 2.87Å; L146-L149 HydrophobicContact CD1-CB 4.01Å; L146-L149 HydrophobicContact CD1-CD1 4.34Å; L146-L149 HydrophobicContact CD1-CD2 4.38Å; L146-L149 HydrophobicContact CD1-CG 4.48Å; L146-H168 PolarHBondContact N-O 2.84Å; L146-V169 HydrophobicContact CB-CG2 4.49Å; L146-V169 HydrophobicContact CD1-CG2 4.46Å; L146-V169 CarbonylContact O-C 3.6Å; L146-V169 WeakPolarHBondContact O-CA 3.12Å; L146-F170 PolarHBondContact O-N 3.07Å |
| 147 | K | 93.5 | Very high | 93.7 | Very high | 125 Ų | 125 | 32.8 Ų | 32.8 | 54% | 0.543 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -39.8 | 162.3 | -73.5 | -165.2 | 169.6 | -160 | 0 | 111.1 | R124 F170 H171 | R124-K147 HydrophobicContact CB-CG 4.36Å; R124-K147 WeakPolarHBondContact O-CA 3.19Å; R124-K147 WeakPolarHBondContact O-CB 3.31Å; R124-K147 PolarHBondContact O-N 3.01Å; K147-F170 WeakPolarHBondContact O-CB 3.5Å; K147-H171 WeakPolarHBondContact O-CB 3.33Å; K147-H171 PolarHBondContact O-N 3.49Å |
| 148 | L | 93.9 | Very high | 93.5 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.2 | 178.6 | 175.1 | 61.7 | 0 | 0 | 0 | 110.6 | R124 I125 L126 H171 A173 | R124-L148 PolarHBondContact O-N 3.17Å; R124-L148 VanDerWaalsContact O-N 3.14Å; I125-L148 HydrophobicContact CG1-CB 4.26Å; I125-L148 HydrophobicContact CG2-CB 4.33Å; I125-L148 HydrophobicContact CG2-CD2 4.15Å; L126-L148 PolarHBondContact N-O 3.09Å; L148-H171 WeakPolarHBondContact CA-O 3.28Å; L148-H171 HydrophobicContact CD1-CB 4.07Å; L148-A173 HydrophobicContact CD1-CB 4.4Å |
| 149 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 110.4 | 162.2 | 176.7 | 52.2 | 0 | 0 | 0 | 108.9 | L126 F141 L146 L151 F164 V169 H171 L172 A173 | L126-L149 HydrophobicContact CB-CD1 4.15Å; L126-L149 HydrophobicContact CD2-CD1 3.84Å; L126-L149 HydrophobicContact CG-CD1 3.88Å; L126-L149 WeakPolarHBondContact O-CA 3.48Å; F141-L149 HydrophobicContact CD1-CD1 4.26Å; F141-L149 HydrophobicContact CD1-CD2 3.91Å; F141-L149 HydrophobicContact CD2-CD2 3.98Å; F141-L149 HydrophobicContact CE1-CD1 3.86Å; F141-L149 HydrophobicContact CE1-CD2 3.94Å; F141-L149 HydrophobicContact CE2-CD2 3.98Å; F141-L149 HydrophobicContact CG-CD2 3.94Å; F141-L149 HydrophobicContact CZ-CD1 4.31Å; F141-L149 HydrophobicContact CZ-CD2 3.98Å; L146-L149 HydrophobicContact CD1-CB 4.01Å; L146-L149 HydrophobicContact CD1-CD1 4.34Å; L146-L149 HydrophobicContact CD1-CD2 4.38Å; L146-L149 HydrophobicContact CD1-CG 4.48Å; L149-L151 HydrophobicContact CD1-CD2 4.14Å; L149-L151 HydrophobicContact CD1-CG 4.36Å; L149-L151 HydrophobicContact CG-CG 4.34Å; L149-F164 HydrophobicContact CD2-CE1 3.98Å; L149-V169 HydrophobicContact CB-CG1 3.78Å; L149-V169 HydrophobicContact CB-CG2 4.26Å; L149-V169 HydrophobicContact CD2-CG2 4.1Å; L149-H171 PolarHBondContact N-O 3.06Å; L149-L172 HydrophobicContact CB-CD1 4.1Å; L149-L172 HydrophobicContact CD2-CD1 3.91Å; L149-L172 HydrophobicContact CG-CD1 3.91Å; L149-A173 PolarHBondContact O-N 3.15Å |
| 150 | S | 96.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.6 | 175.5 | 166.6 | 0 | 0 | 0 | 0 | 110.5 | L126 D127 L128 | L126-S150 PolarHBondContact O-N 2.91Å; D127-S150 WeakPolarHBondContact OD1-CB 3.35Å; D127-S150 PolarHBondContact OD1-OG 2.87Å; L128-S150 PolarHBondContact N-O 3.45Å |
| 151 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -114.9 | 14.7 | 170.8 | -58.8 | 176.8 | 0 | 0 | 0 | 110.7 | L128 I136 F141 L149 N154 I157 F159 F164 A173 C177 | L128-L151 HydrophobicContact CB-CD2 4.2Å; L128-L151 HydrophobicContact CD1-CD2 4.23Å; I136-L151 HydrophobicContact CD1-CD1 4.03Å; F141-L151 HydrophobicContact CZ-CD1 4.27Å; F141-L151 HydrophobicContact CZ-CD2 4.05Å; L149-L151 HydrophobicContact CD1-CD2 4.14Å; L149-L151 HydrophobicContact CD1-CG 4.36Å; L149-L151 HydrophobicContact CG-CG 4.34Å; L151-N154 WeakPolarHBondContact O-CB 3.39Å; L151-N154 PolarHBondContact O-N 2.9Å; L151-N154 PolarHBondContact O-ND2 3Å; L151-I157 HydrophobicContact CB-CD1 4.39Å; L151-I157 HydrophobicContact CD1-CD1 4.21Å; L151-F159 HydrophobicContact CD1-CE1 3.8Å; L151-F159 HydrophobicContact CD1-CZ 4.19Å; L151-F164 HydrophobicContact CD1-CZ 4.29Å; L151-A173 PolarHBondContact N-O 3.06Å; L151-C177 PolarHBondContact O-SG 3Å | ||
| 152 | T | 95.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 145 | -175.1 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | S129 K130 N154 A173 R175 | S129-T152 CarbonylContact C-O 3.57Å; S129-T152 WeakPolarHBondContact CA-O 3.5Å; S129-T152 WeakPolarHBondContact CB-O 3.43Å; K130-T152 PolarHBondContact N-O 2.82Å; T152-N154 PolarHBondContact O-N 2.79Å; T152-A173 PolarHBondContact N-O 2.65Å; T152-A173 PolarHBondContact OG1-O 2.99Å; T152-R175 CarbonylContact C-O 3.31Å; T152-R175 WeakPolarHBondContact CA-O 3.3Å; T152-R175 HydrophobicContact CG2-CB 3.98Å; T152-R175 PolarHBondContact OG1-NE 3.01Å |
| 153 | D | 94.8 | Very high | 92.4 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 22% | 0.219 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 13.1 | -178.8 | -55.9 | -43.4 | 0 | 0 | 0 | 115.8 | K130 K155 R175 N176 | K130-D153 HydrophobicContact CB-CB 4.28Å; K130-D153 WeakPolarHBondContact CE-OD2 3.43Å; K130-D153 HydrophobicContact CG-CB 3.59Å; K130-D153 WeakPolarHBondContact CG-OD2 3.43Å; D153-K155 PolarHBondContact O-N 2.75Å; D153-R175 PolarHBondContact N-O 3Å; D153-N176 WeakPolarHBondContact OD1-CB 3.36Å; D153-N176 PolarHBondContact OD1-ND2 2.95Å |
| 154 | N | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -85.2 | 94.7 | 170.5 | -75.1 | -82.7 | 0 | 0 | 0 | 110.7 | L128 N131 R132 I133 L151 T152 I157 C177 | L128-N154 PolarHBondContact O-ND2 3.14Å; N131-N154 WeakPolarHBondContact CA-OD1 3.47Å; N131-N154 VanDerWaalsContact CB-OD1 3.28Å; N131-N154 WeakPolarHBondContact CB-OD1 3.44Å; N131-N154 PolarHBondContact N-OD1 2.96Å; N131-N154 PolarHBondContact O-OD1 2.89Å; R132-N154 PolarHBondContact N-OD1 2.95Å; I133-N154 HydrophobicContact CB-CB 4.34Å; I133-N154 VanDerWaalsContact CB-OD1 3.31Å; I133-N154 WeakPolarHBondContact CB-OD1 3.19Å; I133-N154 WeakPolarHBondContact CG1-OD1 3.35Å; I133-N154 PolarHBondContact N-OD1 2.88Å; L151-N154 WeakPolarHBondContact O-CB 3.39Å; L151-N154 PolarHBondContact O-N 2.9Å; L151-N154 PolarHBondContact O-ND2 3Å; T152-N154 PolarHBondContact O-N 2.79Å; N154-I157 HydrophobicContact CB-CB 4.47Å; N154-I157 HydrophobicContact CB-CD1 4.02Å; N154-C177 VanDerWaalsContact O-CA 3.32Å; N154-C177 WeakPolarHBondContact O-CA 3.47Å; N154-C177 WeakPolarHBondContact O-CB 3.4Å | ||
| 155 | K | 92.4 | Very high | 92.4 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 37% | 0.365 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 124.1 | -173.2 | -68.5 | -75.9 | 173.1 | -161.8 | 0 | 112.8 | D153 N176 D178 | D153-K155 PolarHBondContact O-N 2.75Å; K155-N176 WeakPolarHBondContact CE-O 3.31Å; K155-N176 WeakPolarHBondContact CE-OD1 3.21Å; K155-N176 PolarHBondContact NZ-O 3.18Å; K155-N176 PolarHBondContact NZ-OD1 3.38Å; K155-D178 VanDerWaalsContact CD-CG 3.43Å; K155-D178 WeakPolarHBondContact CD-OD1 3.35Å; K155-D178 WeakPolarHBondContact CD-OD2 3.34Å; K155-D178 IonicContact NZ-OD1 2.95Å; K155-D178 PolarHBondContact NZ-OD1 3.27Å; K155-D178 IonicContact NZ-OD2 3.36Å |
| 156 | G | 89.9 | Confident | 92.2 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 22.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C177 | G156-C177 PolarHBondContact N-O 3.34Š|
| 157 | I | 93 | Very high | 92.1 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.046 | 22% | 0.218 | C | C | . | . | trans | -65.9 | 138 | 179.8 | -160.7 | 163.6 | 0 | 0 | 0 | 112 | I133 I136 L151 N154 F159 C177 L179 | I133-I157 HydrophobicContact CB-CD1 4.34Å; I133-I157 HydrophobicContact CG2-CD1 4.06Å; I133-I157 WeakPolarHBondContact O-CB 3.36Å; I133-I157 VanDerWaalsContact O-CG1 3.27Å; I133-I157 WeakPolarHBondContact O-CG1 3.47Å; I136-I157 HydrophobicContact CD1-CD1 3.8Å; I136-I157 HydrophobicContact CD1-CG1 4.19Å; L151-I157 HydrophobicContact CB-CD1 4.39Å; L151-I157 HydrophobicContact CD1-CD1 4.21Å; N154-I157 HydrophobicContact CB-CB 4.47Å; N154-I157 HydrophobicContact CB-CD1 4.02Å; I157-F159 HydrophobicContact CD1-CE1 3.81Å; I157-F159 HydrophobicContact CD1-CZ 4.28Å; I157-F159 HydrophobicContact CG1-CD1 4.46Å; I157-F159 HydrophobicContact CG1-CE1 3.93Å; I157-F159 HydrophobicContact CG1-CZ 4.43Å; I157-F159 HydrophobicContact CG2-CE1 4.16Å; I157-F159 HydrophobicContact CG2-CE2 4.29Å; I157-F159 HydrophobicContact CG2-CZ 3.82Å; I157-C177 HydrophobicContact CG2-CB 3.75Å; I157-L179 HydrophobicContact CG2-CD2 3.81Å | ||
| 158 | I | 89.5 | Confident | 92 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | trans | -114.1 | 131 | 177.3 | -57.2 | 179.2 | 0 | 0 | 0 | 108.8 | I134 | I134-I158 PolarHBondContact O-N 3.06Š| ||
| 159 | F | 90.7 | Very high | 91.9 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | trans | -106.8 | 100.9 | 176.6 | -58.1 | -49.6 | 0 | 0 | 0 | 110.2 | I136 L151 I157 F164 A174 L179 L182 T186 I187 | I136-F159 HydrophobicContact CD1-CD1 3.93Å; I136-F159 HydrophobicContact CD1-CE1 3.81Å; L151-F159 HydrophobicContact CD1-CE1 3.8Å; L151-F159 HydrophobicContact CD1-CZ 4.19Å; I157-F159 HydrophobicContact CD1-CE1 3.81Å; I157-F159 HydrophobicContact CD1-CZ 4.28Å; I157-F159 HydrophobicContact CG1-CD1 4.46Å; I157-F159 HydrophobicContact CG1-CE1 3.93Å; I157-F159 HydrophobicContact CG1-CZ 4.43Å; I157-F159 HydrophobicContact CG2-CE1 4.16Å; I157-F159 HydrophobicContact CG2-CE2 4.29Å; I157-F159 HydrophobicContact CG2-CZ 3.82Å; F159-F164 HydrophobicContact CB-CE2 4.23Å; F159-F164 AromaticContact CD1-CE2 3.64Å; F159-F164 HydrophobicContact CD1-CE2 3.64Å; F159-F164 AromaticContact CD1-CZ 3.93Å; F159-F164 HydrophobicContact CD1-CZ 3.93Å; F159-F164 HydrophobicContact CE1-CE2 4.09Å; F159-F164 AromaticContact CE1-CZ 3.93Å; F159-F164 HydrophobicContact CE1-CZ 3.93Å; F159-F164 AromaticContact CG-CE2 3.93Å; F159-F164 HydrophobicContact CG-CE2 3.93Å; F159-A174 HydrophobicContact CE2-CB 4.24Å; F159-A174 HydrophobicContact CZ-CB 3.91Å; F159-L179 HydrophobicContact CD2-CD2 4.12Å; F159-L179 HydrophobicContact CE2-CD1 3.88Å; F159-L179 HydrophobicContact CE2-CD2 3.75Å; F159-L179 HydrophobicContact CE2-CG 4.48Å; F159-L182 HydrophobicContact CD2-CD1 3.72Å; F159-L182 HydrophobicContact CE2-CD1 4.17Å; F159-T186 HydrophobicContact CB-CG2 3.75Å; F159-I187 HydrophobicContact CD2-CD1 4.49Å | ||
| 160 | D | 87.4 | Confident | 91.6 | Very high | 86 Ų | 86 | 43 Ų | 43 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | trans | -75.2 | 155.1 | 173.9 | -71.7 | -46.9 | 0 | 0 | 0 | 111.3 | T162 S163 T186 | D160-T162 PolarHBondContact O-N 2.9Å; D160-S163 PolarHBondContact N-OG 3.24Å; D160-S163 VanDerWaalsContact N-OG 3.16Å; D160-S163 PolarHBondContact O-N 3.41Å; D160-S163 PolarHBondContact O-OG 2.82Å; D160-T186 VanDerWaalsContact O-CG2 3.27Å; D160-T186 WeakPolarHBondContact O-CG2 3.24Å | ||
| 161 | R | 86.3 | Confident | 91.3 | Very high | 116 Ų | 116 | 44.1 Ų | 44.1 | 44% | 0.438 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -9.3 | -178.5 | -73.1 | -178.4 | 167.8 | -144.4 | -13.2 | 114.6 | D183 E185 T186 K189 | R161-D183 IonicContact CZ-OD2 3.6Å; R161-D183 IonicContact NE-OD2 3.4Å; R161-D183 PolarHBondContact NE-OD2 3.42Å; R161-D183 IonicContact NH2-OD1 2.75Å; R161-D183 IonicContact NH2-OD2 3.47Å; R161-D183 PolarHBondContact NH2-OD2 2.97Å; R161-E185 IonicContact CZ-OE1 3.16Å; R161-E185 IonicContact CZ-OE2 3.6Å; R161-E185 VanDerWaalsContact CZ-OE2 3.24Å; R161-E185 IonicContact NE-OE2 3.36Å; R161-E185 IonicContact NH1-OE1 2.71Å; R161-E185 PolarHBondContact NH1-OE1 3.15Å; R161-E185 IonicContact NH1-OE2 2.68Å; R161-E185 PolarHBondContact NH1-OE2 2.86Å; R161-E185 IonicContact NH2-OE1 3.43Å; R161-E185 PolarHBondContact NH2-OE1 2.87Å; R161-E185 IonicContact NH2-OE2 2.8Å; R161-T186 WeakPolarHBondContact CA-OG1 3.36Å; R161-K189 WeakPolarHBondContact O-CD 3.49Å; R161-K189 PolarHBondContact O-NZ 3.2Å |
| 162 | T | 89 | Confident | 91.2 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -13.2 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | S138 E139 D160 F164 H165 | S138-T162 WeakPolarHBondContact CA-O 3.1Å; S138-T162 VanDerWaalsContact OG-CB 3.27Å; S138-T162 WeakPolarHBondContact OG-CB 3.25Å; S138-T162 PolarHBondContact OG-OG1 3.2Å; E139-T162 PolarHBondContact N-O 2.8Å; D160-T162 PolarHBondContact O-N 2.9Å; T162-F164 VanDerWaalsContact C-N 3.25Å; T162-F164 PolarHBondContact O-N 3.03Å; T162-H165 WeakPolarHBondContact O-CB 3.06Å; T162-H165 PolarHBondContact O-N 3.26Å |
| 163 | S | 90.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -35 | -173.5 | -55.9 | 0 | 0 | 0 | 0 | 113.6 | I136 D160 | I136-S163 WeakPolarHBondContact O-CB 3.24Å; I136-S163 PolarHBondContact O-OG 3.38Å; D160-S163 PolarHBondContact N-OG 3.24Å; D160-S163 VanDerWaalsContact N-OG 3.16Å; D160-S163 PolarHBondContact O-N 3.41Å; D160-S163 PolarHBondContact O-OG 2.82Å |
| 164 | F | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 12.7 | 178.1 | -65.2 | -70.3 | 0 | 0 | 0 | 114.2 | F141 L149 L151 F159 T162 A167 L172 T186 I187 K189 A190 | F141-F164 AromaticContact CD2-CD1 3.73Å; F141-F164 HydrophobicContact CD2-CD1 3.73Å; F141-F164 AromaticContact CD2-CE1 3.7Å; F141-F164 HydrophobicContact CD2-CE1 3.7Å; F141-F164 HydrophobicContact CE2-CD1 4.12Å; F141-F164 AromaticContact CE2-CE1 3.63Å; F141-F164 HydrophobicContact CE2-CE1 3.63Å; F141-F164 HydrophobicContact CE2-CZ 4.32Å; L149-F164 HydrophobicContact CD2-CE1 3.98Å; L151-F164 HydrophobicContact CD1-CZ 4.29Å; F159-F164 HydrophobicContact CB-CE2 4.23Å; F159-F164 AromaticContact CD1-CE2 3.64Å; F159-F164 HydrophobicContact CD1-CE2 3.64Å; F159-F164 AromaticContact CD1-CZ 3.93Å; F159-F164 HydrophobicContact CD1-CZ 3.93Å; F159-F164 HydrophobicContact CE1-CE2 4.09Å; F159-F164 AromaticContact CE1-CZ 3.93Å; F159-F164 HydrophobicContact CE1-CZ 3.93Å; F159-F164 AromaticContact CG-CE2 3.93Å; F159-F164 HydrophobicContact CG-CE2 3.93Å; T162-F164 VanDerWaalsContact C-N 3.25Å; T162-F164 PolarHBondContact O-N 3.03Å; F164-A167 HydrophobicContact CB-CB 4.39Å; F164-A167 VanDerWaalsContact O-CB 3.29Å; F164-A167 WeakPolarHBondContact O-CB 3.05Å; F164-A167 PolarHBondContact O-N 3.39Å; F164-L172 HydrophobicContact CE1-CD1 4.15Å; F164-L172 HydrophobicContact CE1-CD2 4.43Å; F164-L172 HydrophobicContact CZ-CD1 4.28Å; F164-L172 HydrophobicContact CZ-CD2 4.21Å; F164-T186 HydrophobicContact CD2-CG2 3.91Å; F164-T186 HydrophobicContact CE2-CG2 4.41Å; F164-I187 HydrophobicContact CD2-CD1 4.07Å; F164-I187 HydrophobicContact CE2-CD1 3.73Å; F164-K189 HydrophobicContact CB-CB 4.5Å; F164-A190 HydrophobicContact CB-CB 4.08Å; F164-A190 HydrophobicContact CD1-CB 4.19Å; F164-A190 HydrophobicContact CG-CB 4.27Å |
| 165 | H | 90.3 | Very high | 91.2 | Very high | 90 Ų | 90 | 46.9 Ų | 46.9 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 140.6 | 173.9 | -169 | -130.2 | 0 | 0 | 0 | 110 | E139 T162 A167 | E139-H165 HydrophobicContact CG-CB 3.67Å; E139-H165 IonicContact OE1-CE1 3.27Å; E139-H165 IonicContact OE1-CG 2.78Å; E139-H165 IonicContact OE1-ND1 3.12Å; E139-H165 PolarHBondContact OE1-ND1 3.44Å; T162-H165 WeakPolarHBondContact O-CB 3.06Å; T162-H165 PolarHBondContact O-N 3.26Å; H165-A167 PolarHBondContact O-N 3.02Å; H165-A167 VanDerWaalsContact O-N 3.11Å |
| 166 | G | 88 | Confident | 91.4 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 1.3 | -173 | 0 | 0 | 0 | 0 | 0 | 116.4 | A142 | A142-G166 WeakPolarHBondContact CA-O 3.17Š|
| 167 | A | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -83.2 | 143.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F141 F164 H165 V169 A190 | F141-A167 HydrophobicContact CB-CB 3.93Å; F164-A167 HydrophobicContact CB-CB 4.39Å; F164-A167 VanDerWaalsContact O-CB 3.29Å; F164-A167 WeakPolarHBondContact O-CB 3.05Å; F164-A167 PolarHBondContact O-N 3.39Å; H165-A167 PolarHBondContact O-N 3.02Å; H165-A167 VanDerWaalsContact O-N 3.11Å; A167-V169 HydrophobicContact CB-CG2 4.48Å; A167-A190 HydrophobicContact CB-CB 4.45Å | ||
| 168 | H | 91.6 | Very high | 91.6 | Very high | 102 Ų | 102 | 46.6 Ų | 46.6 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 103.3 | 173.8 | -69.1 | -22.5 | 0 | 0 | 0 | 109.6 | S145 L146 | S145-H168 CarbonylContact C-O 3.45Å; L146-H168 PolarHBondContact N-O 2.84Å |
| 169 | V | 91.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.4 | -172.4 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | L146 L149 A167 H171 L172 A190 P192 | L146-V169 HydrophobicContact CB-CG2 4.49Å; L146-V169 HydrophobicContact CD1-CG2 4.46Å; L146-V169 CarbonylContact O-C 3.6Å; L146-V169 WeakPolarHBondContact O-CA 3.12Å; L149-V169 HydrophobicContact CB-CG1 3.78Å; L149-V169 HydrophobicContact CB-CG2 4.26Å; L149-V169 HydrophobicContact CD2-CG2 4.1Å; A167-V169 HydrophobicContact CB-CG2 4.48Å; V169-H171 VanDerWaalsContact CG1-O 3.23Å; V169-H171 WeakPolarHBondContact CG1-O 3.42Å; V169-L172 HydrophobicContact CG1-CB 4.08Å; V169-A190 HydrophobicContact CB-CB 4.36Å; V169-A190 HydrophobicContact CG2-CB 4.27Å; V169-A190 PolarHBondContact N-O 2.86Å; V169-A190 VanDerWaalsContact N-O 3.09Å; V169-P192 VanDerWaalsContact O-CA 3.3Å; V169-P192 WeakPolarHBondContact O-CA 3.47Å |
| 170 | F | 89.8 | Confident | 91.8 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 41% | 0.408 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -52.1 | 173.5 | 174.7 | -88.4 | 0 | 0 | 0 | 111.8 | L146 K147 K193 Q194 | L146-F170 PolarHBondContact O-N 3.07Å; K147-F170 WeakPolarHBondContact O-CB 3.5Å; F170-K193 HydrophobicContact CD2-CB 4.23Å; F170-K193 HydrophobicContact CD2-CD 3.9Å; F170-K193 HydrophobicContact CE2-CB 4.2Å; F170-K193 HydrophobicContact CE2-CD 3.87Å; F170-K193 PolarHBondContact O-N 2.64Å; F170-Q194 HydrophobicContact CD1-CG 4.36Å; F170-Q194 HydrophobicContact CE1-CG 3.8Å; F170-Q194 HydrophobicContact CZ-CG 4.23Å; F170-Q194 PolarHBondContact O-N 3.01Å |
| 171 | H | 91.1 | Very high | 91.8 | Very high | 33 Ų | 33 | 45 Ų | 45 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.7 | 174.3 | -175.2 | -170.5 | 0 | 0 | 0 | 110.8 | K147 L148 L149 V169 Q194 S196 | K147-H171 WeakPolarHBondContact O-CB 3.33Å; K147-H171 PolarHBondContact O-N 3.49Å; L148-H171 WeakPolarHBondContact CA-O 3.28Å; L148-H171 HydrophobicContact CD1-CB 4.07Å; L149-H171 PolarHBondContact N-O 3.06Å; V169-H171 VanDerWaalsContact CG1-O 3.23Å; V169-H171 WeakPolarHBondContact CG1-O 3.42Å; H171-Q194 WeakPolarHBondContact CA-O 3.36Å; H171-Q194 HydrophobicContact CB-CB 3.91Å; H171-Q194 PolarHBondContact CD2-O 2.82Å; H171-S196 PolarHBondContact NE2-OG 3.48Å |
| 172 | L | 94 | Very high | 91.9 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.4 | 172 | -179 | 61.6 | 0 | 0 | 0 | 109.7 | L149 F164 V169 I187 P192 Q194 L195 S196 | L149-L172 HydrophobicContact CB-CD1 4.1Å; L149-L172 HydrophobicContact CD2-CD1 3.91Å; L149-L172 HydrophobicContact CG-CD1 3.91Å; F164-L172 HydrophobicContact CE1-CD1 4.15Å; F164-L172 HydrophobicContact CE1-CD2 4.43Å; F164-L172 HydrophobicContact CZ-CD1 4.28Å; F164-L172 HydrophobicContact CZ-CD2 4.21Å; V169-L172 HydrophobicContact CG1-CB 4.08Å; L172-I187 HydrophobicContact CD2-CD1 3.99Å; L172-I187 HydrophobicContact CD2-CG2 4.3Å; L172-P192 HydrophobicContact CB-CB 4.13Å; L172-Q194 PolarHBondContact N-O 3.31Å; L172-L195 HydrophobicContact CB-CD1 4.16Å; L172-L195 HydrophobicContact CD2-CD1 4.15Å; L172-L195 HydrophobicContact CG-CD1 4.26Å; L172-L195 WeakPolarHBondContact O-CA 3.45Å; L172-S196 PolarHBondContact O-N 3.13Å |
| 173 | A | 94.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 98.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L148 L149 L151 T152 | L148-A173 HydrophobicContact CD1-CB 4.4Å; L149-A173 PolarHBondContact O-N 3.15Å; L151-A173 PolarHBondContact N-O 3.06Å; T152-A173 PolarHBondContact N-O 2.65Å; T152-A173 PolarHBondContact OG1-O 2.99Å |
| 174 | A | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | trans | -115.1 | 56.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F159 C177 L179 S196 L197 N200 | F159-A174 HydrophobicContact CE2-CB 4.24Å; F159-A174 HydrophobicContact CZ-CB 3.91Å; A174-C177 VanDerWaalsContact C-SG 3.56Å; A174-L179 HydrophobicContact CB-CD1 4.16Å; A174-S196 PolarHBondContact N-O 2.68Å; A174-L197 HydrophobicContact CB-CD2 4.25Å; A174-N200 PolarHBondContact O-ND2 2.99Å | ||
| 175 | R | 95 | Very high | 91.3 | Very high | 101 Ų | 101 | 47.4 Ų | 47.4 | 38% | 0.381 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 150.2 | -179.4 | -57.4 | 173.7 | -68.2 | 173.3 | 1 | 111.3 | T152 D153 C177 S198 | T152-R175 CarbonylContact C-O 3.31Å; T152-R175 WeakPolarHBondContact CA-O 3.3Å; T152-R175 HydrophobicContact CG2-CB 3.98Å; T152-R175 PolarHBondContact OG1-NE 3.01Å; D153-R175 PolarHBondContact N-O 3Å; R175-C177 PolarHBondContact O-N 3.13Å; R175-C177 PolarHBondContact O-SG 3.08Å; R175-S198 CarbonylContact C-O 3.56Å; R175-S198 WeakPolarHBondContact CA-O 3.48Å; R175-S198 WeakPolarHBondContact CB-O 3.39Å; R175-S198 WeakPolarHBondContact CD-OG 3.16Å; R175-S198 VanDerWaalsContact CG-OG 3.27Å; R175-S198 WeakPolarHBondContact CG-OG 3.4Å |
| 176 | N | 95.6 | Very high | 91.2 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 34.2 | 174.9 | -163.8 | 33.3 | 0 | 0 | 0 | 114.2 | D153 K155 S198 D199 | D153-N176 WeakPolarHBondContact OD1-CB 3.36Å; D153-N176 PolarHBondContact OD1-ND2 2.95Å; K155-N176 WeakPolarHBondContact CE-O 3.31Å; K155-N176 WeakPolarHBondContact CE-OD1 3.21Å; K155-N176 PolarHBondContact NZ-O 3.18Å; K155-N176 PolarHBondContact NZ-OD1 3.38Å; N176-S198 PolarHBondContact N-O 2.87Å; N176-D199 WeakPolarHBondContact CA-O 3.28Å; N176-D199 HydrophobicContact CB-CB 4.05Å |
| 177 | C | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -101.3 | 2.8 | -173 | -67.9 | 0 | 0 | 0 | 0 | 114.5 | L151 N154 G156 I157 A174 R175 L179 N200 | L151-C177 PolarHBondContact O-SG 3Å; N154-C177 VanDerWaalsContact O-CA 3.32Å; N154-C177 WeakPolarHBondContact O-CA 3.47Å; N154-C177 WeakPolarHBondContact O-CB 3.4Å; G156-C177 PolarHBondContact N-O 3.34Å; I157-C177 HydrophobicContact CG2-CB 3.75Å; A174-C177 VanDerWaalsContact C-SG 3.56Å; R175-C177 PolarHBondContact O-N 3.13Å; R175-C177 PolarHBondContact O-SG 3.08Å; C177-L179 VanDerWaalsContact C-N 3.3Å; C177-L179 HydrophobicContact CB-CD1 4.36Å; C177-L179 HydrophobicContact CB-CG 3.99Å; C177-L179 PolarHBondContact O-N 2.93Å; C177-N200 WeakPolarHBondContact CA-OD1 3.29Å; C177-N200 PolarHBondContact N-OD1 3.27Å |
| 178 | D | 93.4 | Very high | 91 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | trans | 63 | 28.3 | -173.4 | -55.5 | -19.4 | 0 | 0 | 0 | 114.4 | K155 T180 N200 I201 | K155-D178 VanDerWaalsContact CD-CG 3.43Å; K155-D178 WeakPolarHBondContact CD-OD1 3.35Å; K155-D178 WeakPolarHBondContact CD-OD2 3.34Å; K155-D178 IonicContact NZ-OD1 2.95Å; K155-D178 PolarHBondContact NZ-OD1 3.27Å; K155-D178 IonicContact NZ-OD2 3.36Å; D178-T180 PolarHBondContact O-N 2.81Å; D178-N200 PolarHBondContact N-OD1 2.81Å; D178-N200 VanDerWaalsContact N-OD1 3.13Å; D178-I201 HydrophobicContact CB-CD1 4.44Å | ||
| 179 | L | 93 | Very high | 90.8 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | trans | -64.9 | 121.5 | 177.6 | -60.9 | 171.5 | 0 | 0 | 0 | 111 | I157 F159 A174 C177 L197 N200 I201 L202 | I157-L179 HydrophobicContact CG2-CD2 3.81Å; F159-L179 HydrophobicContact CD2-CD2 4.12Å; F159-L179 HydrophobicContact CE2-CD1 3.88Å; F159-L179 HydrophobicContact CE2-CD2 3.75Å; F159-L179 HydrophobicContact CE2-CG 4.48Å; A174-L179 HydrophobicContact CB-CD1 4.16Å; C177-L179 VanDerWaalsContact C-N 3.3Å; C177-L179 HydrophobicContact CB-CD1 4.36Å; C177-L179 HydrophobicContact CB-CG 3.99Å; C177-L179 PolarHBondContact O-N 2.93Å; L179-L197 HydrophobicContact CD1-CD2 3.96Å; L179-N200 HydrophobicContact CB-CB 4.12Å; L179-N200 PolarHBondContact N-OD1 3.28Å; L179-N200 VanDerWaalsContact N-OD1 3.08Å; L179-I201 CarbonylContact O-C 3.55Å; L179-I201 WeakPolarHBondContact O-CA 3.46Å; L179-I201 VanDerWaalsContact O-CG1 3.3Å; L179-I201 WeakPolarHBondContact O-CG1 3.47Å; L179-I201 PolarHBondContact O-N 3.28Å; L179-L202 HydrophobicContact CB-CD2 3.99Å; L179-L202 HydrophobicContact CB-CG 4.4Å; L179-L202 WeakPolarHBondContact O-CD2 3.44Å; L179-L202 PolarHBondContact O-N 2.74Å | ||
| 180 | T | 90.1 | Very high | 90.5 | Very high | 91 Ų | 91 | 41 Ų | 41 | 56% | 0.558 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -93 | -28 | 177.1 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | D178 I201 | D178-T180 PolarHBondContact O-N 2.81Å; T180-I201 HydrophobicContact CG2-CD1 3.53Å; T180-I201 HydrophobicContact CG2-CG1 3.77Å |
| 181 | S | 87.5 | Confident | 90.3 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 57% | 0.573 | 22% | 0.221 | S | C | * | . | trans | -157 | 160.8 | 179.1 | 54.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 182 | L | 89.4 | Confident | 90.1 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | trans | -143.2 | 121.6 | -177.4 | -167.2 | 64.5 | 0 | 0 | 0 | 109.8 | F159 I187 L197 L202 L205 F209 | F159-L182 HydrophobicContact CD2-CD1 3.72Å; F159-L182 HydrophobicContact CE2-CD1 4.17Å; L182-I187 HydrophobicContact CD1-CD1 3.98Å; L182-I187 HydrophobicContact CD1-CG1 3.8Å; L182-I187 HydrophobicContact CD2-CG1 4.07Å; L182-I187 HydrophobicContact CG-CG1 3.84Å; L182-L197 HydrophobicContact CD2-CD1 3.5Å; L182-L197 HydrophobicContact CD2-CD2 4Å; L182-L197 HydrophobicContact CD2-CG 4.41Å; L182-L202 HydrophobicContact CB-CD2 4.43Å; L182-L205 HydrophobicContact CB-CD2 3.86Å; L182-L205 HydrophobicContact CD2-CD2 4.3Å; L182-F209 HydrophobicContact CB-CZ 4.43Å; L182-F209 HydrophobicContact CD2-CE1 4Å; L182-F209 HydrophobicContact CD2-CZ 3.93Å; L182-F209 HydrophobicContact CG-CZ 4Å | ||
| 183 | D | 86.1 | Confident | 89.6 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | trans | -80.1 | 127.2 | 178.8 | -169.3 | -19.5 | 0 | 0 | 0 | 110.3 | R161 E185 T186 I187 | R161-D183 IonicContact CZ-OD2 3.6Å; R161-D183 IonicContact NE-OD2 3.4Å; R161-D183 PolarHBondContact NE-OD2 3.42Å; R161-D183 IonicContact NH2-OD1 2.75Å; R161-D183 IonicContact NH2-OD2 3.47Å; R161-D183 PolarHBondContact NH2-OD2 2.97Å; D183-E185 VanDerWaalsContact C-N 3.34Å; D183-E185 PolarHBondContact O-N 3.43Å; D183-E185 PolarHBondContact OD1-N 3.1Å; D183-T186 PolarHBondContact O-N 3.39Å; D183-I187 PolarHBondContact O-N 2.91Å | ||
| 184 | Y | 86.2 | Confident | 89.2 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 18% | 0.18 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 176 | 173.6 | -102.5 | 0 | 0 | 0 | 111.7 | T186 I187 A188 Q208 F209 L212 | Y184-T186 PolarHBondContact O-N 2.82Å; Y184-I187 PolarHBondContact O-N 2.87Å; Y184-A188 HydrophobicContact CE1-CB 4.17Å; Y184-A188 HydrophobicContact CE2-CB 4.28Å; Y184-A188 WeakPolarHBondContact O-CB 3.33Å; Y184-A188 PolarHBondContact O-N 3.12Å; Y184-Q208 HydrophobicContact CD1-CB 4.06Å; Y184-Q208 HydrophobicContact CD2-CB 3.67Å; Y184-Q208 HydrophobicContact CE1-CB 3.99Å; Y184-Q208 HydrophobicContact CE2-CB 3.6Å; Y184-Q208 VanDerWaalsContact CE2-O 3.25Å; Y184-Q208 WeakPolarHBondContact CE2-O 3.27Å; Y184-Q208 HydrophobicContact CG-CB 3.91Å; Y184-F209 HydrophobicContact CD2-CD2 4.15Å; Y184-F209 HydrophobicContact CD2-CE2 4.28Å; Y184-F209 HydrophobicContact CD2-CG 4.32Å; Y184-L212 HydrophobicContact CD2-CD1 4Å; Y184-L212 HydrophobicContact CE2-CD1 3.65Å; Y184-L212 HydrophobicContact CE2-CD2 4.27Å; Y184-L212 HydrophobicContact CE2-CG 3.74Å |
| 185 | E | 86 | Confident | 89.1 | Confident | 92 Ų | 92 | 47.2 Ų | 47.2 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -33 | -178.4 | -70.8 | -176.1 | -134.4 | 0 | 0 | 112.5 | R161 D183 K189 | R161-E185 IonicContact CZ-OE1 3.16Å; R161-E185 IonicContact CZ-OE2 3.6Å; R161-E185 VanDerWaalsContact CZ-OE2 3.24Å; R161-E185 IonicContact NE-OE2 3.36Å; R161-E185 IonicContact NH1-OE1 2.71Å; R161-E185 PolarHBondContact NH1-OE1 3.15Å; R161-E185 IonicContact NH1-OE2 2.68Å; R161-E185 PolarHBondContact NH1-OE2 2.86Å; R161-E185 IonicContact NH2-OE1 3.43Å; R161-E185 PolarHBondContact NH2-OE1 2.87Å; R161-E185 IonicContact NH2-OE2 2.8Å; D183-E185 VanDerWaalsContact C-N 3.34Å; D183-E185 PolarHBondContact O-N 3.43Å; D183-E185 PolarHBondContact OD1-N 3.1Å; E185-K189 WeakPolarHBondContact O-CG 3.48Å |
| 186 | T | 87.6 | Confident | 89 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.6 | -44.1 | 179.8 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | F159 D160 R161 F164 D183 Y184 | F159-T186 HydrophobicContact CB-CG2 3.75Å; D160-T186 VanDerWaalsContact O-CG2 3.27Å; D160-T186 WeakPolarHBondContact O-CG2 3.24Å; R161-T186 WeakPolarHBondContact CA-OG1 3.36Å; F164-T186 HydrophobicContact CD2-CG2 3.91Å; F164-T186 HydrophobicContact CE2-CG2 4.41Å; D183-T186 PolarHBondContact O-N 3.39Å; Y184-T186 PolarHBondContact O-N 2.82Å |
| 187 | I | 89.8 | Confident | 88.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -83.9 | -32.9 | -175.1 | -59.1 | -57.9 | 0 | 0 | 0 | 112.2 | F159 F164 L172 L182 D183 Y184 K189 A190 P192 L195 F209 L212 | F159-I187 HydrophobicContact CD2-CD1 4.49Å; F164-I187 HydrophobicContact CD2-CD1 4.07Å; F164-I187 HydrophobicContact CE2-CD1 3.73Å; L172-I187 HydrophobicContact CD2-CD1 3.99Å; L172-I187 HydrophobicContact CD2-CG2 4.3Å; L182-I187 HydrophobicContact CD1-CD1 3.98Å; L182-I187 HydrophobicContact CD1-CG1 3.8Å; L182-I187 HydrophobicContact CD2-CG1 4.07Å; L182-I187 HydrophobicContact CG-CG1 3.84Å; D183-I187 PolarHBondContact O-N 2.91Å; Y184-I187 PolarHBondContact O-N 2.87Å; I187-K189 PolarHBondContact O-N 2.83Å; I187-K189 VanDerWaalsContact O-N 3.15Å; I187-A190 PolarHBondContact O-N 2.96Å; I187-A190 VanDerWaalsContact O-N 3.1Å; I187-P192 HydrophobicContact CG2-CG 3.75Å; I187-P192 WeakPolarHBondContact O-CD 3.34Å; I187-L195 HydrophobicContact CG2-CD2 4.31Å; I187-F209 HydrophobicContact CB-CE1 4.15Å; I187-F209 HydrophobicContact CG1-CE1 4.46Å; I187-F209 HydrophobicContact CG2-CE1 4.2Å; I187-L212 HydrophobicContact CG2-CD1 4.44Å |
| 188 | A | 87.3 | Confident | 88.8 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.8 | -28.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y184 A190 K191 L212 | Y184-A188 HydrophobicContact CE1-CB 4.17Å; Y184-A188 HydrophobicContact CE2-CB 4.28Å; Y184-A188 WeakPolarHBondContact O-CB 3.33Å; Y184-A188 PolarHBondContact O-N 3.12Å; A188-A190 VanDerWaalsContact C-N 3.35Å; A188-A190 PolarHBondContact O-N 2.9Å; A188-K191 VanDerWaalsContact O-CG 3.27Å; A188-K191 WeakPolarHBondContact O-CG 3.41Å; A188-K191 PolarHBondContact O-N 3.23Å; A188-L212 HydrophobicContact CB-CD1 4.35Å; A188-L212 HydrophobicContact CB-CD2 3.92Å |
| 189 | K | 86.9 | Confident | 88.8 | Confident | 75 Ų | 75 | 40 Ų | 40 | 33% | 0.326 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -34.8 | 176.6 | -71.2 | 175.4 | -172.9 | -174 | 0 | 113.6 | R161 F164 E185 I187 K191 | R161-K189 WeakPolarHBondContact O-CD 3.49Å; R161-K189 PolarHBondContact O-NZ 3.2Å; F164-K189 HydrophobicContact CB-CB 4.5Å; E185-K189 WeakPolarHBondContact O-CG 3.48Å; I187-K189 PolarHBondContact O-N 2.83Å; I187-K189 VanDerWaalsContact O-N 3.15Å; K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 PolarHBondContact O-N 3.3Å |
| 190 | A | 86.8 | Confident | 89 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F164 A167 V169 I187 A188 | F164-A190 HydrophobicContact CB-CB 4.08Å; F164-A190 HydrophobicContact CD1-CB 4.19Å; F164-A190 HydrophobicContact CG-CB 4.27Å; A167-A190 HydrophobicContact CB-CB 4.45Å; V169-A190 HydrophobicContact CB-CB 4.36Å; V169-A190 HydrophobicContact CG2-CB 4.27Å; V169-A190 PolarHBondContact N-O 2.86Å; V169-A190 VanDerWaalsContact N-O 3.09Å; I187-A190 PolarHBondContact O-N 2.96Å; I187-A190 VanDerWaalsContact O-N 3.1Å; A188-A190 VanDerWaalsContact C-N 3.35Å; A188-A190 PolarHBondContact O-N 2.9Å |
| 191 | K | 85.1 | Confident | 89.2 | Confident | 148 Ų | 148 | 39.5 Ų | 39.5 | 64% | 0.643 | 20% | 0.199 | S | C | * | . | trans | 51.6 | 48.5 | -175.4 | -57.4 | -178.3 | -178.5 | -179.1 | 0 | 115.1 | A188 K189 | A188-K191 VanDerWaalsContact O-CG 3.27Å; A188-K191 WeakPolarHBondContact O-CG 3.41Å; A188-K191 PolarHBondContact O-N 3.23Å; K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 PolarHBondContact O-N 3.3Å | ||
| 192 | P | 87.5 | Confident | 89.4 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | trans | -67.9 | 133.4 | -179.8 | 31.1 | -34.9 | 0 | 0 | 0 | 112.1 | V169 L172 I187 | V169-P192 VanDerWaalsContact O-CA 3.3Å; V169-P192 WeakPolarHBondContact O-CA 3.47Å; L172-P192 HydrophobicContact CB-CB 4.13Å; I187-P192 HydrophobicContact CG2-CG 3.75Å; I187-P192 WeakPolarHBondContact O-CD 3.34Å | ||
| 193 | K | 83.6 | Confident | 89.3 | Confident | 100 Ų | 100 | 37 Ų | 37 | 44% | 0.435 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -93 | -17.9 | 171 | -68.4 | 178.1 | 179.1 | 168.2 | 0 | 112.8 | F170 | F170-K193 HydrophobicContact CD2-CB 4.23Å; F170-K193 HydrophobicContact CD2-CD 3.9Å; F170-K193 HydrophobicContact CE2-CB 4.2Å; F170-K193 HydrophobicContact CE2-CD 3.87Å; F170-K193 PolarHBondContact O-N 2.64Å |
| 194 | Q | 86.3 | Confident | 89.3 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.3 | 172.9 | -50.3 | -165.4 | -37.2 | 0 | 0 | 108.6 | F170 H171 L172 Y235 | F170-Q194 HydrophobicContact CD1-CG 4.36Å; F170-Q194 HydrophobicContact CE1-CG 3.8Å; F170-Q194 HydrophobicContact CZ-CG 4.23Å; F170-Q194 PolarHBondContact O-N 3.01Å; H171-Q194 WeakPolarHBondContact CA-O 3.36Å; H171-Q194 HydrophobicContact CB-CB 3.91Å; H171-Q194 PolarHBondContact CD2-O 2.82Å; L172-Q194 PolarHBondContact N-O 3.31Å; Q194-Y235 WeakPolarHBondContact CA-O 3.27Å; Q194-Y235 HydrophobicContact CB-CD1 3.87Å; Q194-Y235 HydrophobicContact CB-CG 4.12Å; Q194-Y235 HydrophobicContact CG-CG 4.35Å |
| 195 | L | 91.7 | Very high | 89.4 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 113.4 | -177.6 | -176.7 | 54.9 | 0 | 0 | 0 | 110.2 | L172 I187 L197 F209 Y235 L236 D237 | L172-L195 HydrophobicContact CB-CD1 4.16Å; L172-L195 HydrophobicContact CD2-CD1 4.15Å; L172-L195 HydrophobicContact CG-CD1 4.26Å; L172-L195 WeakPolarHBondContact O-CA 3.45Å; I187-L195 HydrophobicContact CG2-CD2 4.31Å; L195-L197 HydrophobicContact CD1-CD1 4.23Å; L195-L197 HydrophobicContact CD1-CD2 4.18Å; L195-L197 HydrophobicContact CD1-CG 4.03Å; L195-L197 HydrophobicContact CD2-CD1 3.91Å; L195-L197 HydrophobicContact CG-CD1 3.83Å; L195-L197 HydrophobicContact CG-CG 3.95Å; L195-F209 HydrophobicContact CD2-CD1 3.9Å; L195-F209 HydrophobicContact CD2-CE1 3.97Å; L195-Y235 PolarHBondContact N-O 3.03Å; L195-L236 HydrophobicContact CB-CD1 4.03Å; L195-L236 HydrophobicContact CD2-CD1 4.01Å; L195-L236 HydrophobicContact CG-CD1 4.03Å; L195-L236 WeakPolarHBondContact O-CA 3.43Å; L195-D237 PolarHBondContact O-N 2.81Å |
| 196 | S | 92.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.4 | 175.9 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | H171 L172 A174 Y235 | H171-S196 PolarHBondContact NE2-OG 3.48Å; L172-S196 PolarHBondContact O-N 3.13Å; A174-S196 PolarHBondContact N-O 2.68Å; S196-Y235 WeakPolarHBondContact OG-CE1 3.32Å |
| 197 | L | 93.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | trans | -126.6 | 20.7 | -178 | -64.3 | 169.4 | 0 | 0 | 0 | 111.9 | A174 L179 L182 L195 N200 L202 L205 D237 L238 N241 | A174-L197 HydrophobicContact CB-CD2 4.25Å; L179-L197 HydrophobicContact CD1-CD2 3.96Å; L182-L197 HydrophobicContact CD2-CD1 3.5Å; L182-L197 HydrophobicContact CD2-CD2 4Å; L182-L197 HydrophobicContact CD2-CG 4.41Å; L195-L197 HydrophobicContact CD1-CD1 4.23Å; L195-L197 HydrophobicContact CD1-CD2 4.18Å; L195-L197 HydrophobicContact CD1-CG 4.03Å; L195-L197 HydrophobicContact CD2-CD1 3.91Å; L195-L197 HydrophobicContact CG-CD1 3.83Å; L195-L197 HydrophobicContact CG-CG 3.95Å; L197-N200 PolarHBondContact O-ND2 3.06Å; L197-L202 HydrophobicContact CB-CD1 4.03Å; L197-L202 HydrophobicContact CD1-CD1 4.08Å; L197-L205 HydrophobicContact CD1-CD1 4.08Å; L197-D237 CarbonylContact C-O 3.58Å; L197-D237 WeakPolarHBondContact CA-O 3.47Å; L197-D237 PolarHBondContact N-O 2.97Å; L197-L238 HydrophobicContact CB-CD2 4.07Å; L197-L238 HydrophobicContact CD1-CD2 4.11Å; L197-N241 PolarHBondContact O-ND2 3.4Å | ||
| 198 | S | 93.8 | Very high | 88.4 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 156 | -179.9 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | R175 N176 N200 D237 S239 | R175-S198 CarbonylContact C-O 3.56Å; R175-S198 WeakPolarHBondContact CA-O 3.48Å; R175-S198 WeakPolarHBondContact CB-O 3.39Å; R175-S198 WeakPolarHBondContact CD-OG 3.16Å; R175-S198 VanDerWaalsContact CG-OG 3.27Å; R175-S198 WeakPolarHBondContact CG-OG 3.4Å; N176-S198 PolarHBondContact N-O 2.87Å; S198-N200 PolarHBondContact O-N 3.1Å; S198-N200 PolarHBondContact O-ND2 2.91Å; S198-D237 PolarHBondContact N-O 2.75Å; S198-S239 CarbonylContact C-O 3.59Å; S198-S239 WeakPolarHBondContact CA-O 3.27Å; S198-S239 WeakPolarHBondContact CB-O 3.41Å; S198-S239 WeakPolarHBondContact CB-OG 3.31Å |
| 199 | D | 94.8 | Very high | 88.3 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 34% | 0.337 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 25.4 | 172.4 | -44 | -81 | 0 | 0 | 0 | 114.2 | N176 S239 N240 | N176-D199 WeakPolarHBondContact CA-O 3.28Å; N176-D199 HydrophobicContact CB-CB 4.05Å; D199-S239 PolarHBondContact N-O 2.74Å; D199-N240 WeakPolarHBondContact OD1-CB 3.43Å; D199-N240 PolarHBondContact OD1-ND2 3.29Å |
| 200 | N | 95.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -100.4 | -176.2 | 173 | -75.1 | -70.4 | 0 | 0 | 0 | 111.3 | A174 C177 D178 L179 L197 S198 L202 N241 P242 | A174-N200 PolarHBondContact O-ND2 2.99Å; C177-N200 WeakPolarHBondContact CA-OD1 3.29Å; C177-N200 PolarHBondContact N-OD1 3.27Å; D178-N200 PolarHBondContact N-OD1 2.81Å; D178-N200 VanDerWaalsContact N-OD1 3.13Å; L179-N200 HydrophobicContact CB-CB 4.12Å; L179-N200 PolarHBondContact N-OD1 3.28Å; L179-N200 VanDerWaalsContact N-OD1 3.08Å; L197-N200 PolarHBondContact O-ND2 3.06Å; S198-N200 PolarHBondContact O-N 3.1Å; S198-N200 PolarHBondContact O-ND2 2.91Å; N200-L202 HydrophobicContact CB-CD1 4.47Å; N200-L202 HydrophobicContact CB-CG 4.18Å; N200-N241 WeakPolarHBondContact CA-OD1 3.37Å; N200-N241 VanDerWaalsContact CB-OD1 3.23Å; N200-N241 WeakPolarHBondContact CB-OD1 3.17Å; N200-N241 PolarHBondContact O-OD1 2.79Å; N200-P242 WeakPolarHBondContact O-CD 3.38Å |
| 201 | I | 94.3 | Very high | 87.4 | Confident | 84 Ų | 84 | 40 Ų | 40 | 43% | 0.431 | 20% | 0.197 | S | C | . | . | trans | -110.8 | 33.4 | 179.7 | 55 | -180 | 0 | 0 | 0 | 112 | D178 L179 T180 P242 | D178-I201 HydrophobicContact CB-CD1 4.44Å; L179-I201 CarbonylContact O-C 3.55Å; L179-I201 WeakPolarHBondContact O-CA 3.46Å; L179-I201 VanDerWaalsContact O-CG1 3.3Å; L179-I201 WeakPolarHBondContact O-CG1 3.47Å; L179-I201 PolarHBondContact O-N 3.28Å; T180-I201 HydrophobicContact CG2-CD1 3.53Å; T180-I201 HydrophobicContact CG2-CG1 3.77Å; I201-P242 HydrophobicContact CB-CG 4.37Å | ||
| 202 | L | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -73.3 | 128.9 | 176.2 | -58.4 | 170.5 | 0 | 0 | 0 | 110.5 | L179 L182 L197 N200 L205 L238 N241 P242 | L179-L202 HydrophobicContact CB-CD2 3.99Å; L179-L202 HydrophobicContact CB-CG 4.4Å; L179-L202 WeakPolarHBondContact O-CD2 3.44Å; L179-L202 PolarHBondContact O-N 2.74Å; L182-L202 HydrophobicContact CB-CD2 4.43Å; L197-L202 HydrophobicContact CB-CD1 4.03Å; L197-L202 HydrophobicContact CD1-CD1 4.08Å; N200-L202 HydrophobicContact CB-CD1 4.47Å; N200-L202 HydrophobicContact CB-CG 4.18Å; L202-L205 HydrophobicContact CD1-CD2 4.49Å; L202-L238 HydrophobicContact CD1-CD2 4.4Å; L202-N241 VanDerWaalsContact CB-OD1 3.29Å; L202-N241 WeakPolarHBondContact CB-OD1 3.18Å; L202-N241 PolarHBondContact N-OD1 2.78Å; L202-P242 CarbonylContact O-C 3.08Å; L202-P242 VanDerWaalsContact O-CD 3.3Å; L202-P242 WeakPolarHBondContact O-CD 3.24Å | ||
| 203 | T | 88.4 | Confident | 86.2 | Confident | 54 Ų | 54 | 34.5 Ų | 34.5 | 33% | 0.331 | 18% | 0.175 | S | C | . | . | trans | -95.3 | -28.3 | 175.4 | 52 | 0 | 0 | 0 | 0 | 113.2 | P242 L243 N244 | T203-P242 HydrophobicContact CG2-CG 4.36Å; T203-L243 CarbonylContact O-C 3.48Å; T203-L243 WeakPolarHBondContact O-CA 3.25Å; T203-N244 PolarHBondContact O-N 3.16Å | ||
| 204 | W | 85.9 | Confident | 85.6 | Confident | 99 Ų | 99 | 32.4 Ų | 32.4 | 38% | 0.375 | 17% | 0.168 | S | C | . | . | trans | -154.2 | 169.6 | 176.8 | 71.8 | -69.9 | 0 | 0 | 0 | 110.6 | D206 Q248 L249 | W204-D206 HydrophobicContact CZ3-CB 4.29Å; W204-Q248 HydrophobicContact CE3-CB 4.49Å; W204-L249 HydrophobicContact CB-CD2 4.37Å | ||
| 205 | L | 87.6 | Confident | 84.4 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -138.9 | 150.4 | 167.9 | -76.2 | -176.8 | 0 | 0 | 0 | 110.2 | L182 L197 L202 F209 L238 W251 | L182-L205 HydrophobicContact CB-CD2 3.86Å; L182-L205 HydrophobicContact CD2-CD2 4.3Å; L197-L205 HydrophobicContact CD1-CD1 4.08Å; L202-L205 HydrophobicContact CD1-CD2 4.49Å; L205-F209 HydrophobicContact CB-CD2 4.26Å; L205-F209 HydrophobicContact CD2-CD2 4.46Å; L205-F209 HydrophobicContact CD2-CE2 4.14Å; L205-F209 HydrophobicContact CD2-CZ 4.42Å; L205-L238 HydrophobicContact CD1-CD1 4.17Å; L205-L238 HydrophobicContact CD1-CD2 3.6Å; L205-L238 HydrophobicContact CD1-CG 4.49Å; L205-W251 HydrophobicContact CB-CZ2 3.99Å; L205-W251 PolarHBondContact O-NE1 2.94Å | ||
| 206 | D | 82 | Confident | 82.6 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | trans | -64.1 | 137.1 | 179.9 | -168.9 | -66.3 | 0 | 0 | 0 | 111.9 | W204 Q208 F209 | W204-D206 HydrophobicContact CZ3-CB 4.29Å; D206-Q208 PolarHBondContact O-N 2.89Å; D206-Q208 VanDerWaalsContact O-N 3.07Å; D206-Q208 VanDerWaalsContact OD1-CB 3.25Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.16Å; D206-Q208 VanDerWaalsContact OD1-CG 3.24Å; D206-Q208 WeakPolarHBondContact OD1-CG 3.2Å; D206-Q208 PolarHBondContact OD1-N 2.91Å; D206-Q208 PolarHBondContact OD1-NE2 3.2Å; D206-Q208 PolarHBondContact OD2-NE2 3.47Å; D206-F209 HydrophobicContact CB-CD2 4.03Å; D206-F209 HydrophobicContact CB-CE2 4.3Å; D206-F209 WeakPolarHBondContact O-CB 3.41Å; D206-F209 WeakPolarHBondContact O-CD2 3.11Å; D206-F209 PolarHBondContact O-N 3.42Å | ||
| 207 | P | 79.8 | Confident | 80.8 | Confident | 46 Ų | 46 | 40.9 Ų | 40.9 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -27.8 | 176.3 | -27 | 34.4 | 0 | 0 | 0 | 115.2 | F209 A210 W251 | P207-F209 PolarHBondContact O-N 3.16Å; P207-A210 VanDerWaalsContact O-CB 3.3Å; P207-A210 WeakPolarHBondContact O-CB 3.36Å; P207-A210 PolarHBondContact O-N 3.19Å; P207-W251 HydrophobicContact CB-CG 4.15Å; P207-W251 HydrophobicContact CG-CG 4.49Å |
| 208 | Q | 80.8 | Confident | 78.9 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.3 | 177 | -67.5 | 165.8 | 95.7 | 0 | 0 | 112.9 | Y184 D206 A210 E211 | Y184-Q208 HydrophobicContact CD1-CB 4.06Å; Y184-Q208 HydrophobicContact CD2-CB 3.67Å; Y184-Q208 HydrophobicContact CE1-CB 3.99Å; Y184-Q208 HydrophobicContact CE2-CB 3.6Å; Y184-Q208 VanDerWaalsContact CE2-O 3.25Å; Y184-Q208 WeakPolarHBondContact CE2-O 3.27Å; Y184-Q208 HydrophobicContact CG-CB 3.91Å; D206-Q208 PolarHBondContact O-N 2.89Å; D206-Q208 VanDerWaalsContact O-N 3.07Å; D206-Q208 VanDerWaalsContact OD1-CB 3.25Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.16Å; D206-Q208 VanDerWaalsContact OD1-CG 3.24Å; D206-Q208 WeakPolarHBondContact OD1-CG 3.2Å; D206-Q208 PolarHBondContact OD1-N 2.91Å; D206-Q208 PolarHBondContact OD1-NE2 3.2Å; D206-Q208 PolarHBondContact OD2-NE2 3.47Å; Q208-A210 PolarHBondContact O-N 2.75Å; Q208-A210 VanDerWaalsContact O-N 3.1Å; Q208-E211 WeakPolarHBondContact O-CB 3.3Å; Q208-E211 PolarHBondContact O-N 3.44Å |
| 209 | F | 85.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -21.4 | 173.6 | -82.3 | -88.4 | 0 | 0 | 0 | 113.1 | L182 Y184 I187 L195 L205 D206 P207 E211 L212 V213 W251 | L182-F209 HydrophobicContact CB-CZ 4.43Å; L182-F209 HydrophobicContact CD2-CE1 4Å; L182-F209 HydrophobicContact CD2-CZ 3.93Å; L182-F209 HydrophobicContact CG-CZ 4Å; Y184-F209 HydrophobicContact CD2-CD2 4.15Å; Y184-F209 HydrophobicContact CD2-CE2 4.28Å; Y184-F209 HydrophobicContact CD2-CG 4.32Å; I187-F209 HydrophobicContact CB-CE1 4.15Å; I187-F209 HydrophobicContact CG1-CE1 4.46Å; I187-F209 HydrophobicContact CG2-CE1 4.2Å; L195-F209 HydrophobicContact CD2-CD1 3.9Å; L195-F209 HydrophobicContact CD2-CE1 3.97Å; L205-F209 HydrophobicContact CB-CD2 4.26Å; L205-F209 HydrophobicContact CD2-CD2 4.46Å; L205-F209 HydrophobicContact CD2-CE2 4.14Å; L205-F209 HydrophobicContact CD2-CZ 4.42Å; D206-F209 HydrophobicContact CB-CD2 4.03Å; D206-F209 HydrophobicContact CB-CE2 4.3Å; D206-F209 WeakPolarHBondContact O-CB 3.41Å; D206-F209 WeakPolarHBondContact O-CD2 3.11Å; D206-F209 PolarHBondContact O-N 3.42Å; P207-F209 PolarHBondContact O-N 3.16Å; F209-E211 VanDerWaalsContact C-N 3.27Å; F209-E211 PolarHBondContact O-N 3.23Å; F209-L212 HydrophobicContact CD1-CD1 4.07Å; F209-L212 HydrophobicContact CE1-CD1 4.38Å; F209-L212 PolarHBondContact O-N 3.02Å; F209-V213 VanDerWaalsContact O-CG2 3.28Å; F209-V213 WeakPolarHBondContact O-CG2 3.46Å; F209-W251 HydrophobicContact CB-CH2 3.94Å; F209-W251 HydrophobicContact CB-CZ2 4.37Å |
| 210 | A | 78.2 | Confident | 74.6 | Confident | 23 Ų | 23 | 52 Ų | 52 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -32.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P207 Q208 V213 I214 W251 | P207-A210 VanDerWaalsContact O-CB 3.3Å; P207-A210 WeakPolarHBondContact O-CB 3.36Å; P207-A210 PolarHBondContact O-N 3.19Å; Q208-A210 PolarHBondContact O-N 2.75Å; Q208-A210 VanDerWaalsContact O-N 3.1Å; A210-V213 PolarHBondContact O-N 3.05Å; A210-I214 PolarHBondContact O-N 3.24Å; A210-W251 HydrophobicContact CB-CE3 3.9Å; A210-W251 HydrophobicContact CB-CZ3 4.11Å |
| 211 | E | 75.6 | Confident | 72.4 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.6 | -21 | -176.4 | -56.8 | -171.1 | 171.1 | 0 | 0 | 113.6 | Q208 F209 V213 I214 | Q208-E211 WeakPolarHBondContact O-CB 3.3Å; Q208-E211 PolarHBondContact O-N 3.44Å; F209-E211 VanDerWaalsContact C-N 3.27Å; F209-E211 PolarHBondContact O-N 3.23Å; E211-V213 VanDerWaalsContact C-N 3.33Å; E211-I214 VanDerWaalsContact O-O 3.11Å |
| 212 | L | 75.6 | Confident | 70.2 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.7 | -30.7 | 169.6 | -62.5 | 172.8 | 0 | 0 | 0 | 111.4 | Y184 I187 A188 F209 | Y184-L212 HydrophobicContact CD2-CD1 4Å; Y184-L212 HydrophobicContact CE2-CD1 3.65Å; Y184-L212 HydrophobicContact CE2-CD2 4.27Å; Y184-L212 HydrophobicContact CE2-CG 3.74Å; I187-L212 HydrophobicContact CG2-CD1 4.44Å; A188-L212 HydrophobicContact CB-CD1 4.35Å; A188-L212 HydrophobicContact CB-CD2 3.92Å; F209-L212 HydrophobicContact CD1-CD1 4.07Å; F209-L212 HydrophobicContact CE1-CD1 4.38Å; F209-L212 PolarHBondContact O-N 3.02Å |
| 213 | V | 73 | Confident | 67.9 | Low | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -91.8 | -47.3 | -168.7 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | F209 A210 E211 N232 G234 L236 L255 | F209-V213 VanDerWaalsContact O-CG2 3.28Å; F209-V213 WeakPolarHBondContact O-CG2 3.46Å; A210-V213 PolarHBondContact O-N 3.05Å; E211-V213 VanDerWaalsContact C-N 3.33Å; V213-N232 PolarHBondContact O-ND2 3.15Å; V213-G234 VanDerWaalsContact CG1-CA 3.5Å; V213-G234 WeakPolarHBondContact CG1-O 3.41Å; V213-G234 VanDerWaalsContact O-CA 3.27Å; V213-G234 WeakPolarHBondContact O-CA 3.45Å; V213-L236 HydrophobicContact CG1-CB 4.38Å; V213-L236 HydrophobicContact CG2-CB 4.18Å; V213-L255 HydrophobicContact CG1-CD2 4.31Å |
| 214 | I | 69.9 | Low | 66 | Low | 56 Ų | 56 | 74.9 Ų | 74.9 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -95.8 | 120.6 | 167.8 | -57.9 | 168.9 | 0 | 0 | 0 | 109.1 | A210 E211 P216 L255 | A210-I214 PolarHBondContact O-N 3.24Å; E211-I214 VanDerWaalsContact O-O 3.11Å; I214-P216 WeakPolarHBondContact O-CD 3.2Å; I214-L255 HydrophobicContact CD1-CD1 3.47Å; I214-L255 VanDerWaalsContact CD1-CD1 3.47Å; I214-L255 HydrophobicContact CG1-CD1 3.78Å |
| 215 | D | 61.7 | Low | 64.1 | Low | 45 Ų | 45 | 74.3 Ų | 74.3 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | trans | -76.8 | 104.1 | 168.2 | 178.3 | -10.7 | 0 | 0 | 0 | 110.3 | S217 K218 N232 | D215-S217 PolarHBondContact O-N 3.29Å; D215-S217 VanDerWaalsContact O-N 3.17Å; D215-S217 WeakPolarHBondContact OD1-CB 3.27Å; D215-S217 PolarHBondContact OD1-N 3.45Å; D215-S217 PolarHBondContact OD1-OG 3.24Å; D215-K218 HydrophobicContact CB-CD 4.34Å; D215-K218 PolarHBondContact O-N 2.69Å; D215-K218 WeakPolarHBondContact OD2-CD 3.48Å; D215-K218 VanDerWaalsContact OD2-CE 3.22Å; D215-K218 WeakPolarHBondContact OD2-CE 3.44Å; D215-K218 IonicContact OD2-NZ 2.66Å; D215-K218 PolarHBondContact OD2-NZ 3.4Å; D215-N232 PolarHBondContact N-ND2 3.03Å | ||
| 216 | P | 54.7 | Low | 62.3 | Low | 74 Ų | 74 | 81 Ų | 81 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -4.4 | -171.9 | 33.9 | -37.3 | 0 | 0 | 0 | 113.3 | I214 K218 S219 | I214-P216 WeakPolarHBondContact O-CD 3.2Å; P216-K218 VanDerWaalsContact C-N 3.33Å; P216-S219 PolarHBondContact O-OG 2.88Å |
| 217 | S | 54.1 | Low | 60.8 | Low | 76 Ų | 76 | 83.8 Ų | 83.8 | 53% | 0.531 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -26 | 172.7 | 74.6 | 0 | 0 | 0 | 0 | 112.2 | D215 | D215-S217 PolarHBondContact O-N 3.29Å; D215-S217 VanDerWaalsContact O-N 3.17Å; D215-S217 WeakPolarHBondContact OD1-CB 3.27Å; D215-S217 PolarHBondContact OD1-N 3.45Å; D215-S217 PolarHBondContact OD1-OG 3.24Å |
| 218 | K | 53.8 | Low | 59.3 | Low | 107 Ų | 107 | 85 Ų | 85 | 47% | 0.465 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -88.4 | -24.8 | -172.6 | -70.7 | 179.5 | 176.9 | 135.5 | 0 | 114.3 | D215 P216 K220 | D215-K218 HydrophobicContact CB-CD 4.34Å; D215-K218 PolarHBondContact O-N 2.69Å; D215-K218 WeakPolarHBondContact OD2-CD 3.48Å; D215-K218 VanDerWaalsContact OD2-CE 3.22Å; D215-K218 WeakPolarHBondContact OD2-CE 3.44Å; D215-K218 IonicContact OD2-NZ 2.66Å; D215-K218 PolarHBondContact OD2-NZ 3.4Å; P216-K218 VanDerWaalsContact C-N 3.33Å; K218-K220 PolarHBondContact O-N 3.47Å |
| 219 | S | 49.1 | Very low | 58 | Low | 65 Ų | 65 | 85.3 Ų | 85.3 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -78.1 | 14.2 | 175.4 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | P216 H222 | P216-S219 PolarHBondContact O-OG 2.88Å; S219-H222 PolarHBondContact O-CD2 3.23Å; S219-H222 VanDerWaalsContact O-CD2 3.25Å |
| 220 | K | 50.1 | Low | 56.5 | Low | 131 Ų | 131 | 93.6 Ų | 93.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -117.4 | 1.6 | 179.8 | -67.9 | -168.6 | 175.9 | -175.4 | 0 | 115.1 | K218 | K218-K220 PolarHBondContact O-N 3.47Š|
| 221 | I | 47.9 | Very low | 55.5 | Low | 132 Ų | 132 | 94.1 Ų | 94.1 | 68% | 0.677 | 50% | 0.504 | S | S | * | . | trans | -107.9 | 61.7 | -179 | -44.4 | -179.5 | 0 | 0 | 0 | 110.5 | ||||
| 222 | H | 48.1 | Very low | 55 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | trans | -102 | -2.6 | -171.4 | -80.7 | -73.3 | 0 | 0 | 0 | 116.5 | S219 | S219-H222 PolarHBondContact O-CD2 3.23Å; S219-H222 VanDerWaalsContact O-CD2 3.25Å | ||
| 223 | H | 45.1 | Very low | 54.1 | Low | 182 Ų | 182 | 92.5 Ų | 92.5 | 84% | 0.843 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -109.6 | -4.9 | -167.4 | -85.4 | -71.9 | 0 | 0 | 0 | 117.9 | ||
| 224 | L | 48 | Very low | 54 | Low | 175 Ų | 175 | 92.5 Ų | 92.5 | 92% | 0.916 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -137.3 | 18.1 | -169.2 | -95.1 | 100.5 | 0 | 0 | 0 | 117 | ||
| 225 | S | 46.2 | Very low | 54.6 | Low | 86 Ų | 86 | 91.4 Ų | 91.4 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | trans | -124.9 | 129.9 | 175.2 | -179 | 0 | 0 | 0 | 0 | 111.9 | V227 | S225-V227 PolarHBondContact O-N 2.8Å; S225-V227 PolarHBondContact OG-N 3Å; S225-V227 PolarHBondContact OG-O 2.85Å | ||
| 226 | T | 50 | Low | 55.9 | Low | 146 Ų | 146 | 89.2 Ų | 89.2 | 90% | 0.896 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -77.8 | -5 | 178.1 | 46.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 227 | V | 50.4 | Low | 57.6 | Low | 101 Ų | 101 | 86.6 Ų | 86.6 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -117.1 | 123.6 | 168.4 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | S225 | S225-V227 PolarHBondContact O-N 2.8Å; S225-V227 PolarHBondContact OG-N 3Å; S225-V227 PolarHBondContact OG-O 2.85Å |
| 228 | P | 48.7 | Very low | 59.4 | Low | 70 Ų | 70 | 83 Ų | 83 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 122.9 | 176.3 | 26.1 | -32.6 | 0 | 0 | 0 | 109.3 | ||
| 229 | P | 52.6 | Low | 61.2 | Low | 83 Ų | 83 | 78.8 Ų | 78.8 | 54% | 0.539 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 141.2 | 177.1 | 27 | -33.6 | 0 | 0 | 0 | 109.7 | P231 | P229-P231 WeakPolarHBondContact O-CD 3.21Š|
| 230 | R | 54.4 | Low | 63.3 | Low | 174 Ų | 174 | 80.2 Ų | 80.2 | 66% | 0.657 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 123.4 | 177.1 | 178.4 | -178.2 | -75.7 | 179.2 | -4.5 | 108.8 | Y266 | R230-Y266 HydrophobicContact CB-CE2 4.38Š|
| 231 | P | 56.6 | Low | 65.4 | Low | 34 Ų | 34 | 74.3 Ų | 74.3 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 146.1 | -176.6 | 20.2 | -30.5 | 0 | 0 | 0 | 111.7 | P229 L233 D262 | P229-P231 WeakPolarHBondContact O-CD 3.21Å; P231-L233 HydrophobicContact CB-CD2 4.14Å; P231-L233 HydrophobicContact CB-CG 4.08Å; P231-L233 HydrophobicContact CG-CD1 4.08Å; P231-L233 HydrophobicContact CG-CD2 4.01Å; P231-L233 HydrophobicContact CG-CG 3.88Å; P231-L233 PolarHBondContact O-N 2.98Å; P231-D262 HydrophobicContact CB-CB 3.93Å; P231-D262 HydrophobicContact CG-CB 4.1Å |
| 232 | N | 64.3 | Low | 67.5 | Low | 61 Ų | 61 | 70.1 Ų | 70.1 | 33% | 0.326 | 38% | 0.378 | S | S | . | . | trans | -78.8 | 71.5 | 174.3 | -173.6 | 82.3 | 0 | 0 | 0 | 109.6 | V213 D215 G234 | V213-N232 PolarHBondContact O-ND2 3.15Å; D215-N232 PolarHBondContact N-ND2 3.03Å; N232-G234 PolarHBondContact O-N 2.75Å | ||
| 233 | L | 58.5 | Low | 69.7 | Low | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | trans | -68.8 | 66.6 | 178.3 | -60 | 164.6 | 0 | 0 | 0 | 110.3 | P231 Q259 D262 W284 I293 L295 | P231-L233 HydrophobicContact CB-CD2 4.14Å; P231-L233 HydrophobicContact CB-CG 4.08Å; P231-L233 HydrophobicContact CG-CD1 4.08Å; P231-L233 HydrophobicContact CG-CD2 4.01Å; P231-L233 HydrophobicContact CG-CG 3.88Å; P231-L233 PolarHBondContact O-N 2.98Å; L233-Q259 HydrophobicContact CB-CG 4.45Å; L233-Q259 HydrophobicContact CD2-CB 3.9Å; L233-Q259 HydrophobicContact CD2-CG 3.96Å; L233-Q259 WeakPolarHBondContact CD2-O 3.42Å; L233-D262 HydrophobicContact CD2-CB 3.99Å; L233-W284 HydrophobicContact CD1-CH2 4.35Å; L233-W284 HydrophobicContact CD1-CZ3 4.29Å; L233-I293 HydrophobicContact CB-CG2 4.07Å; L233-I293 VanDerWaalsContact O-CG2 3.3Å; L233-I293 WeakPolarHBondContact O-CG2 3Å; L233-L295 HydrophobicContact CB-CD2 4.44Å; L233-L295 HydrophobicContact CD1-CD2 3.72Å; L233-L295 HydrophobicContact CD2-CD2 3.78Å; L233-L295 HydrophobicContact CG-CD2 4.17Å | ||
| 234 | G | 69.3 | Low | 71.8 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | trans | -54.7 | 141.5 | -166 | 0 | 0 | 0 | 0 | 0 | 113.8 | V213 N232 Q259 M296 | V213-G234 VanDerWaalsContact CG1-CA 3.5Å; V213-G234 WeakPolarHBondContact CG1-O 3.41Å; V213-G234 VanDerWaalsContact O-CA 3.27Å; V213-G234 WeakPolarHBondContact O-CA 3.45Å; N232-G234 PolarHBondContact O-N 2.75Å; G234-Q259 PolarHBondContact O-NE2 3.4Å; G234-M296 VanDerWaalsContact O-SD 3.4Å | ||
| 235 | Y | 82.6 | Confident | 73.7 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 13% | 0.125 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.4 | -170.6 | -176.9 | -76.1 | 0 | 0 | 0 | 111.7 | Q194 L195 S196 D237 M299 | Q194-Y235 WeakPolarHBondContact CA-O 3.27Å; Q194-Y235 HydrophobicContact CB-CD1 3.87Å; Q194-Y235 HydrophobicContact CB-CG 4.12Å; Q194-Y235 HydrophobicContact CG-CG 4.35Å; L195-Y235 PolarHBondContact N-O 3.03Å; S196-Y235 WeakPolarHBondContact OG-CE1 3.32Å; Y235-D237 HydrophobicContact CE1-CB 3.88Å; Y235-M299 HydrophobicContact CD2-CE 3.64Å; Y235-M299 HydrophobicContact CE1-CE 4.42Å; Y235-M299 HydrophobicContact CE2-CE 3.44Å; Y235-M299 VanDerWaalsContact CE2-CE 3.44Å; Y235-M299 HydrophobicContact CG-CE 4.24Å |
| 236 | L | 89.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 120.6 | 169.1 | 174.8 | 61.3 | 0 | 0 | 0 | 108.9 | L195 V213 L238 W251 L252 M296 M301 | L195-L236 HydrophobicContact CB-CD1 4.03Å; L195-L236 HydrophobicContact CD2-CD1 4.01Å; L195-L236 HydrophobicContact CG-CD1 4.03Å; L195-L236 WeakPolarHBondContact O-CA 3.43Å; V213-L236 HydrophobicContact CG1-CB 4.38Å; V213-L236 HydrophobicContact CG2-CB 4.18Å; L236-L238 HydrophobicContact CD1-CD2 4.23Å; L236-L238 HydrophobicContact CD1-CG 4.24Å; L236-L238 HydrophobicContact CD2-CD1 4.08Å; L236-L238 HydrophobicContact CD2-CG 4.48Å; L236-L238 HydrophobicContact CG-CD1 4.23Å; L236-L238 HydrophobicContact CG-CG 4.1Å; L236-W251 HydrophobicContact CD2-CH2 3.64Å; L236-W251 HydrophobicContact CD2-CZ3 3.99Å; L236-L252 HydrophobicContact CD2-CD1 4.06Å; L236-M296 HydrophobicContact CB-CE 3.95Å; L236-M296 HydrophobicContact CB-SD 4.18Å; L236-M301 WeakPolarHBondContact O-CE 3.45Å |
| 237 | D | 89.9 | Confident | 77 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 10% | 0.096 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.1 | 178.2 | -178.7 | 9.7 | 0 | 0 | 0 | 111.3 | L195 L197 S198 Y235 S239 M299 | L195-D237 PolarHBondContact O-N 2.81Å; L197-D237 CarbonylContact C-O 3.58Å; L197-D237 WeakPolarHBondContact CA-O 3.47Å; L197-D237 PolarHBondContact N-O 2.97Å; S198-D237 PolarHBondContact N-O 2.75Å; Y235-D237 HydrophobicContact CE1-CB 3.88Å; D237-S239 VanDerWaalsContact OD1-CB 3.29Å; D237-S239 WeakPolarHBondContact OD1-CB 3.31Å; D237-S239 PolarHBondContact OD1-N 3.14Å; D237-S239 PolarHBondContact OD1-OG 2.79Å; D237-M299 HydrophobicContact CB-CE 4.46Å; D237-M299 HydrophobicContact CB-SD 3.75Å |
| 238 | L | 92.1 | Very high | 78.4 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | trans | -117.6 | 17.7 | 178.5 | -60.4 | 170.7 | 0 | 0 | 0 | 112.2 | L197 L202 L205 L236 N241 L243 L252 M301 | L197-L238 HydrophobicContact CB-CD2 4.07Å; L197-L238 HydrophobicContact CD1-CD2 4.11Å; L202-L238 HydrophobicContact CD1-CD2 4.4Å; L205-L238 HydrophobicContact CD1-CD1 4.17Å; L205-L238 HydrophobicContact CD1-CD2 3.6Å; L205-L238 HydrophobicContact CD1-CG 4.49Å; L236-L238 HydrophobicContact CD1-CD2 4.23Å; L236-L238 HydrophobicContact CD1-CG 4.24Å; L236-L238 HydrophobicContact CD2-CD1 4.08Å; L236-L238 HydrophobicContact CD2-CG 4.48Å; L236-L238 HydrophobicContact CG-CD1 4.23Å; L236-L238 HydrophobicContact CG-CG 4.1Å; L238-N241 WeakPolarHBondContact O-CB 3.29Å; L238-N241 PolarHBondContact O-N 3.19Å; L238-N241 PolarHBondContact O-ND2 2.97Å; L238-L243 HydrophobicContact CB-CD1 4.27Å; L238-L252 HydrophobicContact CD1-CD1 4.05Å; L238-L252 HydrophobicContact CD1-CD2 3.74Å; L238-M301 HydrophobicContact CB-SD 4.07Å | ||
| 239 | S | 91.9 | Very high | 80.2 | Confident | 19 Ų | 19 | 33.7 Ų | 33.7 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 149.4 | 179.2 | 55 | 0 | 0 | 0 | 0 | 112.3 | S198 D199 D237 N241 | S198-S239 CarbonylContact C-O 3.59Å; S198-S239 WeakPolarHBondContact CA-O 3.27Å; S198-S239 WeakPolarHBondContact CB-O 3.41Å; S198-S239 WeakPolarHBondContact CB-OG 3.31Å; D199-S239 PolarHBondContact N-O 2.74Å; D237-S239 VanDerWaalsContact OD1-CB 3.29Å; D237-S239 WeakPolarHBondContact OD1-CB 3.31Å; D237-S239 PolarHBondContact OD1-N 3.14Å; D237-S239 PolarHBondContact OD1-OG 2.79Å; S239-N241 PolarHBondContact O-N 3.38Å; S239-N241 VanDerWaalsContact O-N 3.16Å; S239-N241 PolarHBondContact O-ND2 3.05Å; S239-N241 VanDerWaalsContact O-ND2 3.14Å |
| 240 | N | 92.8 | Very high | 81.7 | Confident | 94 Ų | 94 | 31.1 Ų | 31.1 | 50% | 0.503 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 26.7 | -179 | -55.3 | -17.2 | 0 | 0 | 0 | 115.8 | D199 | D199-N240 WeakPolarHBondContact OD1-CB 3.43Å; D199-N240 PolarHBondContact OD1-ND2 3.29Å |
| 241 | N | 94.4 | Very high | 83.2 | Confident | 8 Ų | 8 | 24 Ų | 24 | 4% | 0.043 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -99.2 | 151.7 | 169.6 | -79.8 | -98.7 | 0 | 0 | 0 | 111.7 | L197 N200 L202 L238 S239 L243 | L197-N241 PolarHBondContact O-ND2 3.4Å; N200-N241 WeakPolarHBondContact CA-OD1 3.37Å; N200-N241 VanDerWaalsContact CB-OD1 3.23Å; N200-N241 WeakPolarHBondContact CB-OD1 3.17Å; N200-N241 PolarHBondContact O-OD1 2.79Å; L202-N241 VanDerWaalsContact CB-OD1 3.29Å; L202-N241 WeakPolarHBondContact CB-OD1 3.18Å; L202-N241 PolarHBondContact N-OD1 2.78Å; L238-N241 WeakPolarHBondContact O-CB 3.29Å; L238-N241 PolarHBondContact O-N 3.19Å; L238-N241 PolarHBondContact O-ND2 2.97Å; S239-N241 PolarHBondContact O-N 3.38Å; S239-N241 VanDerWaalsContact O-N 3.16Å; S239-N241 PolarHBondContact O-ND2 3.05Å; S239-N241 VanDerWaalsContact O-ND2 3.14Å; N241-L243 HydrophobicContact CB-CD2 3.95Å; N241-L243 HydrophobicContact CB-CG 4.09Å; N241-L243 PolarHBondContact O-N 2.84Å |
| 242 | P | 93.4 | Very high | 84.7 | Confident | 43 Ų | 43 | 22.4 Ų | 22.4 | 28% | 0.279 | 12% | 0.121 | S | C | . | . | trans | -78.2 | 56.2 | 178.6 | 34.6 | -38 | 0 | 0 | 0 | 112.7 | N200 I201 L202 T203 N244 A304 | N200-P242 WeakPolarHBondContact O-CD 3.38Å; I201-P242 HydrophobicContact CB-CG 4.37Å; L202-P242 CarbonylContact O-C 3.08Å; L202-P242 VanDerWaalsContact O-CD 3.3Å; L202-P242 WeakPolarHBondContact O-CD 3.24Å; T203-P242 HydrophobicContact CG2-CG 4.36Å; P242-N244 PolarHBondContact O-N 2.73Å; P242-A304 HydrophobicContact CB-CB 4.08Å | ||
| 243 | L | 92.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 132.9 | -172.1 | -60.3 | 177.9 | 0 | 0 | 0 | 113 | T203 L238 N241 L249 A304 Q305 L314 | T203-L243 CarbonylContact O-C 3.48Å; T203-L243 WeakPolarHBondContact O-CA 3.25Å; L238-L243 HydrophobicContact CB-CD1 4.27Å; N241-L243 HydrophobicContact CB-CD2 3.95Å; N241-L243 HydrophobicContact CB-CG 4.09Å; N241-L243 PolarHBondContact O-N 2.84Å; L243-L249 HydrophobicContact CB-CD1 3.96Å; L243-L249 HydrophobicContact CD2-CD1 4.25Å; L243-A304 PolarHBondContact O-N 3.23Å; L243-Q305 PolarHBondContact O-N 3.27Å; L243-Q305 VanDerWaalsContact O-N 3.09Å; L243-L314 HydrophobicContact CD1-CD2 4.32Å |
| 244 | N | 89.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 24.1 Ų | 24.1 | 15% | 0.15 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 96.9 | 170.6 | 175.7 | 42.5 | 0 | 0 | 0 | 109.4 | T203 P242 D246 L249 Q305 | T203-N244 PolarHBondContact O-N 3.16Å; P242-N244 PolarHBondContact O-N 2.73Å; N244-D246 VanDerWaalsContact ND2-CG 3.32Å; N244-D246 PolarHBondContact ND2-OD2 3.17Å; N244-D246 PolarHBondContact O-N 3Å; N244-L249 VanDerWaalsContact O-CD1 3.31Å; N244-L249 WeakPolarHBondContact O-CD1 3.31Å; N244-Q305 CarbonylContact C-O 3.59Å; N244-Q305 HydrophobicContact CB-CB 4.09Å; N244-Q305 WeakPolarHBondContact OD1-CB 3.48Å |
| 245 | C | 89.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | trans | -79.8 | 61.2 | -178.7 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | C303 Q305 L309 Y320 | C245-C303 HydrophobicContact CB-CB 3.74Å; C245-C303 WeakPolarHBondContact CB-SG 3.13Å; C245-C303 WeakPolarHBondContact SG-CB 3.26Å; C245-C303 CovalentContact SG-SG 2.03Å; C245-C303 PolarHBondContact SG-SG 3.12Å; C245-Q305 PolarHBondContact N-O 2.87Å; C245-L309 HydrophobicContact CB-CD1 3.85Å; C245-Y320 HydrophobicContact CB-CD1 4.33Å; C245-Y320 HydrophobicContact CB-CE1 3.75Å; C245-Y320 WeakPolarHBondContact O-CD1 3.47Å | ||
| 246 | D | 83.5 | Confident | 87.6 | Confident | 22 Ų | 22 | 24 Ų | 24 | 12% | 0.118 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -98 | -174.8 | 163.1 | 74.3 | 23.3 | 0 | 0 | 0 | 110.9 | N244 Q248 L249 Y320 | N244-D246 VanDerWaalsContact ND2-CG 3.32Å; N244-D246 PolarHBondContact ND2-OD2 3.17Å; N244-D246 PolarHBondContact O-N 3Å; D246-Q248 PolarHBondContact O-N 3.17Å; D246-Q248 VanDerWaalsContact OD1-CB 3.3Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.39Å; D246-Q248 WeakPolarHBondContact OD1-CG 3.2Å; D246-Q248 PolarHBondContact OD1-N 2.95Å; D246-L249 PolarHBondContact O-N 2.86Å; D246-Y320 WeakPolarHBondContact O-CD1 3.02Å |
| 247 | C | 80.8 | Confident | 87.2 | Confident | 20 Ų | 20 | 26.8 Ų | 26.8 | 14% | 0.135 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -50.9 | -25.4 | -179.1 | 62.6 | 0 | 0 | 0 | 0 | 114.8 | L249 V250 C322 | C247-L249 PolarHBondContact O-N 2.96Å; C247-V250 WeakPolarHBondContact O-CB 3.34Å; C247-V250 VanDerWaalsContact O-CG1 3.22Å; C247-V250 WeakPolarHBondContact O-CG1 3.38Å; C247-V250 PolarHBondContact O-N 3.45Å; C247-C322 HydrophobicContact CB-CB 3.77Å; C247-C322 WeakPolarHBondContact CB-SG 3.44Å; C247-C322 PolarHBondContact N-SG 2.83Å; C247-C322 WeakPolarHBondContact SG-CB 3.16Å; C247-C322 CovalentContact SG-SG 2.03Å; C247-C322 PolarHBondContact SG-SG 3.03Å |
| 248 | Q | 79.4 | Confident | 86.7 | Confident | 55 Ų | 55 | 28.3 Ų | 28.3 | 26% | 0.257 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -64.6 | -25.2 | 178.4 | -59.8 | -160.6 | -83.7 | 0 | 0 | 113.2 | W204 D246 W251 P352 | W204-Q248 HydrophobicContact CE3-CB 4.49Å; D246-Q248 PolarHBondContact O-N 3.17Å; D246-Q248 VanDerWaalsContact OD1-CB 3.3Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.39Å; D246-Q248 WeakPolarHBondContact OD1-CG 3.2Å; D246-Q248 PolarHBondContact OD1-N 2.95Å; Q248-W251 PolarHBondContact O-NE1 3.4Å; Q248-P352 VanDerWaalsContact CD-CB 3.41Å; Q248-P352 HydrophobicContact CG-CB 3.85Å; Q248-P352 HydrophobicContact CG-CG 3.66Å |
| 249 | L | 87.3 | Confident | 86 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -100.2 | 6.3 | 177.5 | -70.7 | -173.6 | 0 | 0 | 0 | 114.1 | W204 L243 N244 D246 C247 W251 L252 Y320 | W204-L249 HydrophobicContact CB-CD2 4.37Å; L243-L249 HydrophobicContact CB-CD1 3.96Å; L243-L249 HydrophobicContact CD2-CD1 4.25Å; N244-L249 VanDerWaalsContact O-CD1 3.31Å; N244-L249 WeakPolarHBondContact O-CD1 3.31Å; D246-L249 PolarHBondContact O-N 2.86Å; C247-L249 PolarHBondContact O-N 2.96Å; L249-W251 PolarHBondContact O-N 3.22Å; L249-W251 VanDerWaalsContact O-N 3.11Å; L249-L252 VanDerWaalsContact O-CB 3.31Å; L249-L252 WeakPolarHBondContact O-CB 3.47Å; L249-L252 PolarHBondContact O-N 3.21Å; L249-Y320 HydrophobicContact CB-CE1 4.09Å |
| 250 | V | 84.6 | Confident | 85.3 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -30.7 | -179.1 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | C247 L252 R254 S317 Y320 | C247-V250 WeakPolarHBondContact O-CB 3.34Å; C247-V250 VanDerWaalsContact O-CG1 3.22Å; C247-V250 WeakPolarHBondContact O-CG1 3.38Å; C247-V250 PolarHBondContact O-N 3.45Å; V250-L252 VanDerWaalsContact C-N 3.27Å; V250-L252 PolarHBondContact O-N 3.33Å; V250-R254 WeakPolarHBondContact O-CG 3.16Å; V250-R254 PolarHBondContact O-N 2.96Å; V250-S317 WeakPolarHBondContact CG2-O 3.36Å; V250-Y320 HydrophobicContact CB-CD2 4.2Å; V250-Y320 HydrophobicContact CB-CG 4.19Å; V250-Y320 HydrophobicContact CG2-CD2 3.88Å; V250-Y320 HydrophobicContact CG2-CG 4.21Å |
| 251 | W | 84.8 | Confident | 84.4 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -30.8 | 176.6 | 68.9 | -94.6 | 0 | 0 | 0 | 112.7 | L205 P207 F209 A210 L236 Q248 L249 R254 L255 | L205-W251 HydrophobicContact CB-CZ2 3.99Å; L205-W251 PolarHBondContact O-NE1 2.94Å; P207-W251 HydrophobicContact CB-CG 4.15Å; P207-W251 HydrophobicContact CG-CG 4.49Å; F209-W251 HydrophobicContact CB-CH2 3.94Å; F209-W251 HydrophobicContact CB-CZ2 4.37Å; A210-W251 HydrophobicContact CB-CE3 3.9Å; A210-W251 HydrophobicContact CB-CZ3 4.11Å; L236-W251 HydrophobicContact CD2-CH2 3.64Å; L236-W251 HydrophobicContact CD2-CZ3 3.99Å; Q248-W251 PolarHBondContact O-NE1 3.4Å; L249-W251 PolarHBondContact O-N 3.22Å; L249-W251 VanDerWaalsContact O-N 3.11Å; W251-R254 PolarHBondContact O-N 2.98Å; W251-L255 HydrophobicContact CE3-CD2 4.34Å; W251-L255 HydrophobicContact CZ3-CD2 3.91Å; W251-L255 WeakPolarHBondContact O-CB 3.38Å; W251-L255 PolarHBondContact O-N 3.46Å |
| 252 | L | 88.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.9 | -44.2 | -178.3 | -176.3 | 65.1 | 0 | 0 | 0 | 110.9 | L236 L238 L249 V250 L255 V256 M296 M301 L314 | L236-L252 HydrophobicContact CD2-CD1 4.06Å; L238-L252 HydrophobicContact CD1-CD1 4.05Å; L238-L252 HydrophobicContact CD1-CD2 3.74Å; L249-L252 VanDerWaalsContact O-CB 3.31Å; L249-L252 WeakPolarHBondContact O-CB 3.47Å; L249-L252 PolarHBondContact O-N 3.21Å; V250-L252 VanDerWaalsContact C-N 3.27Å; V250-L252 PolarHBondContact O-N 3.33Å; L252-L255 WeakPolarHBondContact O-CB 3.32Å; L252-L255 PolarHBondContact O-N 3.27Å; L252-V256 WeakPolarHBondContact O-CG2 3.35Å; L252-V256 PolarHBondContact O-N 3.4Å; L252-M296 HydrophobicContact CD1-CE 3.64Å; L252-M301 HydrophobicContact CD1-SD 4.47Å; L252-M301 HydrophobicContact CD2-SD 4.21Å; L252-L314 HydrophobicContact CD2-CD1 3.8Å; L252-L314 HydrophobicContact CD2-CD2 4.07Å; L252-L314 HydrophobicContact CG-CD1 3.93Å |
| 253 | S | 85.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.028 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 172.5 | -70.8 | 0 | 0 | 0 | 0 | 112 | L255 V256 E257 P315 Y320 | S253-L255 VanDerWaalsContact C-N 3.31Å; S253-L255 PolarHBondContact O-N 2.86Å; S253-V256 PolarHBondContact O-N 2.93Å; S253-E257 VanDerWaalsContact O-CB 3.31Å; S253-E257 WeakPolarHBondContact O-CB 3.5Å; S253-E257 WeakPolarHBondContact O-CG 3.32Å; S253-E257 PolarHBondContact O-N 3.05Å; S253-P315 WeakPolarHBondContact CB-O 3.47Å; S253-P315 PolarHBondContact OG-O 3.48Å; S253-Y320 VanDerWaalsContact OG-CE2 3.3Å; S253-Y320 WeakPolarHBondContact OG-CE2 3.29Å; S253-Y320 PolarHBondContact OG-OH 3.3Å |
| 254 | R | 82.8 | Confident | 81 | Confident | 101 Ų | 101 | 39.7 Ų | 39.7 | 38% | 0.381 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.7 | -38.1 | 173.9 | -70.2 | -179.9 | -179.4 | 167.7 | 2.2 | 112.6 | V250 W251 S258 I430 | V250-R254 WeakPolarHBondContact O-CG 3.16Å; V250-R254 PolarHBondContact O-N 2.96Å; W251-R254 PolarHBondContact O-N 2.98Å; R254-S258 WeakPolarHBondContact O-CB 3.06Å; R254-S258 PolarHBondContact O-N 3.48Å; R254-I430 VanDerWaalsContact NH1-CD1 3.31Å |
| 255 | L | 83.6 | Confident | 80.1 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 173.6 | 171.1 | 60.2 | 0 | 0 | 0 | 111.5 | V213 I214 W251 L252 S253 Q259 M296 | V213-L255 HydrophobicContact CG1-CD2 4.31Å; I214-L255 HydrophobicContact CD1-CD1 3.47Å; I214-L255 VanDerWaalsContact CD1-CD1 3.47Å; I214-L255 HydrophobicContact CG1-CD1 3.78Å; W251-L255 HydrophobicContact CE3-CD2 4.34Å; W251-L255 HydrophobicContact CZ3-CD2 3.91Å; W251-L255 WeakPolarHBondContact O-CB 3.38Å; W251-L255 PolarHBondContact O-N 3.46Å; L252-L255 WeakPolarHBondContact O-CB 3.32Å; L252-L255 PolarHBondContact O-N 3.27Å; S253-L255 VanDerWaalsContact C-N 3.31Å; S253-L255 PolarHBondContact O-N 2.86Å; L255-Q259 HydrophobicContact CD1-CG 4.46Å; L255-Q259 WeakPolarHBondContact O-CG 3.5Å; L255-Q259 PolarHBondContact O-N 3.37Å; L255-M296 HydrophobicContact CD2-CE 3.68Å; L255-M296 HydrophobicContact CD2-SD 3.89Å; L255-M296 HydrophobicContact CG-CE 4Å; L255-M296 HydrophobicContact CG-SD 3.94Å |
| 256 | V | 84.7 | Confident | 79 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | L252 S253 Q259 S260 M296 Q297 L314 | L252-V256 WeakPolarHBondContact O-CG2 3.35Å; L252-V256 PolarHBondContact O-N 3.4Å; S253-V256 PolarHBondContact O-N 2.93Å; V256-Q259 PolarHBondContact O-N 2.93Å; V256-S260 PolarHBondContact O-N 3.13Å; V256-M296 HydrophobicContact CG2-CB 3.79Å; V256-M296 HydrophobicContact CG2-CE 4.13Å; V256-Q297 HydrophobicContact CG1-CB 4.02Å; V256-L314 HydrophobicContact CG2-CD1 4.41Å |
| 257 | E | 81.2 | Confident | 78.2 | Confident | 60 Ų | 60 | 47 Ų | 47 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 177.5 | -74.1 | 163.4 | -172.7 | 0 | 0 | 110.7 | S253 Q259 S260 Y261 R316 S317 | S253-E257 VanDerWaalsContact O-CB 3.31Å; S253-E257 WeakPolarHBondContact O-CB 3.5Å; S253-E257 WeakPolarHBondContact O-CG 3.32Å; S253-E257 PolarHBondContact O-N 3.05Å; E257-Q259 PolarHBondContact O-N 3.26Å; E257-S260 PolarHBondContact O-N 3.2Å; E257-S260 PolarHBondContact O-OG 3.27Å; E257-Y261 PolarHBondContact O-N 2.92Å; E257-R316 WeakPolarHBondContact OE1-CA 3.32Å; E257-S317 PolarHBondContact OE1-N 2.83Å; E257-S317 PolarHBondContact OE1-OG 3.04Å; E257-S317 WeakPolarHBondContact OE2-CB 3.4Å; E257-S317 PolarHBondContact OE2-OG 3.35Å |
| 258 | S | 79.3 | Confident | 77.5 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.3 | -49.3 | 175.2 | -167 | 0 | 0 | 0 | 0 | 111.9 | R254 S260 Y261 D262 | R254-S258 WeakPolarHBondContact O-CB 3.06Å; R254-S258 PolarHBondContact O-N 3.48Å; S258-S260 VanDerWaalsContact C-N 3.29Å; S258-S260 PolarHBondContact O-N 2.83Å; S258-Y261 WeakPolarHBondContact O-CB 3.29Å; S258-Y261 PolarHBondContact O-N 2.93Å; S258-Y261 VanDerWaalsContact O-N 3.07Å; S258-D262 PolarHBondContact O-N 2.82Å; S258-D262 PolarHBondContact OG-OD2 3.02Å |
| 259 | Q | 77.5 | Confident | 76.5 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 178.6 | -74.5 | -175.8 | 16.1 | 0 | 0 | 113.2 | L233 G234 L255 V256 E257 Y261 A263 L295 M296 | L233-Q259 HydrophobicContact CB-CG 4.45Å; L233-Q259 HydrophobicContact CD2-CB 3.9Å; L233-Q259 HydrophobicContact CD2-CG 3.96Å; L233-Q259 WeakPolarHBondContact CD2-O 3.42Å; G234-Q259 PolarHBondContact O-NE2 3.4Å; L255-Q259 HydrophobicContact CD1-CG 4.46Å; L255-Q259 WeakPolarHBondContact O-CG 3.5Å; L255-Q259 PolarHBondContact O-N 3.37Å; V256-Q259 PolarHBondContact O-N 2.93Å; E257-Q259 PolarHBondContact O-N 3.26Å; Q259-Y261 VanDerWaalsContact C-N 3.29Å; Q259-A263 VanDerWaalsContact O-CB 3.25Å; Q259-A263 WeakPolarHBondContact O-CB 3.44Å; Q259-A263 PolarHBondContact O-N 3.07Å; Q259-L295 HydrophobicContact CB-CD2 4.21Å; Q259-M296 PolarHBondContact NE2-SD 2.68Å |
| 260 | S | 75.9 | Confident | 75 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 32% | 0.315 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 176.5 | 76.6 | 0 | 0 | 0 | 0 | 111.7 | V256 E257 S258 Y264 | V256-S260 PolarHBondContact O-N 3.13Å; E257-S260 PolarHBondContact O-N 3.2Å; E257-S260 PolarHBondContact O-OG 3.27Å; S258-S260 VanDerWaalsContact C-N 3.29Å; S258-S260 PolarHBondContact O-N 2.83Å; S260-Y264 WeakPolarHBondContact O-CB 3.36Å; S260-Y264 PolarHBondContact O-N 3.33Å |
| 261 | Y | 73.7 | Confident | 73.5 | Confident | 138 Ų | 138 | 56.5 Ų | 56.5 | 54% | 0.541 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.6 | -46.6 | 177.9 | -175.3 | -102 | 0 | 0 | 0 | 112.3 | E257 S258 Q259 A263 Y264 Q265 | E257-Y261 PolarHBondContact O-N 2.92Å; S258-Y261 WeakPolarHBondContact O-CB 3.29Å; S258-Y261 PolarHBondContact O-N 2.93Å; S258-Y261 VanDerWaalsContact O-N 3.07Å; Q259-Y261 VanDerWaalsContact C-N 3.29Å; Y261-A263 VanDerWaalsContact C-N 3.3Å; Y261-A263 PolarHBondContact O-N 2.88Å; Y261-Y264 PolarHBondContact O-N 2.89Å; Y261-Y264 VanDerWaalsContact O-N 3.15Å; Y261-Q265 HydrophobicContact CD1-CG 4.43Å; Y261-Q265 HydrophobicContact CE1-CG 4.05Å; Y261-Q265 VanDerWaalsContact CZ-NE2 3.32Å; Y261-Q265 PolarHBondContact O-N 3.23Å; Y261-Q265 PolarHBondContact OH-NE2 3.47Å |
| 262 | D | 70.9 | Confident | 71.9 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 176.5 | -64.3 | -33.2 | 0 | 0 | 0 | 111.5 | P231 L233 S258 Y266 | P231-D262 HydrophobicContact CB-CB 3.93Å; P231-D262 HydrophobicContact CG-CB 4.1Å; L233-D262 HydrophobicContact CD2-CB 3.99Å; S258-D262 PolarHBondContact O-N 2.82Å; S258-D262 PolarHBondContact OG-OD2 3.02Å; D262-Y266 WeakPolarHBondContact O-CB 3.23Å; D262-Y266 PolarHBondContact O-N 3.18Å |
| 263 | A | 69.3 | Low | 70.1 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q259 Y261 Y266 V267 L295 | Q259-A263 VanDerWaalsContact O-CB 3.25Å; Q259-A263 WeakPolarHBondContact O-CB 3.44Å; Q259-A263 PolarHBondContact O-N 3.07Å; Y261-A263 VanDerWaalsContact C-N 3.3Å; Y261-A263 PolarHBondContact O-N 2.88Å; A263-Y266 PolarHBondContact O-N 3.4Å; A263-V267 WeakPolarHBondContact O-CG2 3.34Å; A263-V267 PolarHBondContact O-N 2.94Å; A263-L295 HydrophobicContact CB-CD1 3.77Å; A263-L295 HydrophobicContact CB-CD2 3.77Å; A263-L295 HydrophobicContact CB-CG 4.43Å |
| 264 | Y | 69.7 | Low | 68.2 | Low | 158 Ų | 158 | 74.8 Ų | 74.8 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 175.8 | -179 | -97 | 0 | 0 | 0 | 111.9 | S260 Y261 V267 T268 | S260-Y264 WeakPolarHBondContact O-CB 3.36Å; S260-Y264 PolarHBondContact O-N 3.33Å; Y261-Y264 PolarHBondContact O-N 2.89Å; Y261-Y264 VanDerWaalsContact O-N 3.15Å; Y264-V267 PolarHBondContact O-N 2.73Å; Y264-T268 HydrophobicContact CD1-CG2 4.37Å; Y264-T268 HydrophobicContact CD2-CG2 4.41Å; Y264-T268 HydrophobicContact CE1-CG2 3.94Å; Y264-T268 HydrophobicContact CE2-CG2 3.99Å; Y264-T268 WeakPolarHBondContact O-CB 3.49Å; Y264-T268 WeakPolarHBondContact O-CG2 3.35Å; Y264-T268 PolarHBondContact O-N 2.94Å; Y264-T268 PolarHBondContact O-OG1 3.08Å |
| 265 | Q | 70.1 | Confident | 66.5 | Low | 99 Ų | 99 | 77.5 Ų | 77.5 | 46% | 0.463 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 171.5 | -74.9 | -157.8 | -3.4 | 0 | 0 | 112 | Y261 V267 T268 G269 | Y261-Q265 HydrophobicContact CD1-CG 4.43Å; Y261-Q265 HydrophobicContact CE1-CG 4.05Å; Y261-Q265 VanDerWaalsContact CZ-NE2 3.32Å; Y261-Q265 PolarHBondContact O-N 3.23Å; Y261-Q265 PolarHBondContact OH-NE2 3.47Å; Q265-V267 VanDerWaalsContact C-N 3.33Å; Q265-V267 PolarHBondContact O-N 2.85Å; Q265-T268 PolarHBondContact O-N 2.65Å; Q265-T268 PolarHBondContact O-OG1 3.23Å; Q265-G269 PolarHBondContact O-N 3.37Å |
| 266 | Y | 66.2 | Low | 65.1 | Low | 51 Ų | 51 | 83.8 Ų | 83.8 | 20% | 0.2 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | -179 | -178.3 | -92.9 | 0 | 0 | 0 | 113 | R230 D262 A263 W284 | R230-Y266 HydrophobicContact CB-CE2 4.38Å; D262-Y266 WeakPolarHBondContact O-CB 3.23Å; D262-Y266 PolarHBondContact O-N 3.18Å; A263-Y266 PolarHBondContact O-N 3.4Å; Y266-W284 HydrophobicContact CD1-CZ2 4.35Å; Y266-W284 HydrophobicContact CE1-CZ2 4.37Å |
| 267 | V | 66.6 | Low | 63.3 | Low | 56 Ų | 56 | 88 Ų | 88 | 34% | 0.339 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.3 | -56.6 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | A263 Y264 Q265 G269 K270 D271 | A263-V267 WeakPolarHBondContact O-CG2 3.34Å; A263-V267 PolarHBondContact O-N 2.94Å; Y264-V267 PolarHBondContact O-N 2.73Å; Q265-V267 VanDerWaalsContact C-N 3.33Å; Q265-V267 PolarHBondContact O-N 2.85Å; V267-G269 VanDerWaalsContact C-N 3.29Å; V267-G269 PolarHBondContact O-N 3.16Å; V267-K270 WeakPolarHBondContact O-CB 3.09Å; V267-K270 PolarHBondContact O-N 2.8Å; V267-D271 PolarHBondContact O-N 3.42Å |
| 268 | T | 65.3 | Low | 61.6 | Low | 54 Ų | 54 | 94.7 Ų | 94.7 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -33.3 | -176.1 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | Y264 Q265 K270 | Y264-T268 HydrophobicContact CD1-CG2 4.37Å; Y264-T268 HydrophobicContact CD2-CG2 4.41Å; Y264-T268 HydrophobicContact CE1-CG2 3.94Å; Y264-T268 HydrophobicContact CE2-CG2 3.99Å; Y264-T268 WeakPolarHBondContact O-CB 3.49Å; Y264-T268 WeakPolarHBondContact O-CG2 3.35Å; Y264-T268 PolarHBondContact O-N 2.94Å; Y264-T268 PolarHBondContact O-OG1 3.08Å; Q265-T268 PolarHBondContact O-N 2.65Å; Q265-T268 PolarHBondContact O-OG1 3.23Å; T268-K270 VanDerWaalsContact C-N 3.3Å; T268-K270 PolarHBondContact O-N 3.17Å |
| 269 | G | 59.9 | Low | 60 | Low | 39 Ų | 39 | 100.8 Ų | 100.8 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q265 V267 | Q265-G269 PolarHBondContact O-N 3.37Å; V267-G269 VanDerWaalsContact C-N 3.29Å; V267-G269 PolarHBondContact O-N 3.16Å |
| 270 | K | 54.6 | Low | 58.5 | Low | 97 Ų | 97 | 104 Ų | 104 | 42% | 0.422 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -34.1 | 176.5 | -148.8 | -170.7 | -178.2 | -155.1 | 0 | 111.9 | V267 T268 L272 D280 | V267-K270 WeakPolarHBondContact O-CB 3.09Å; V267-K270 PolarHBondContact O-N 2.8Å; T268-K270 VanDerWaalsContact C-N 3.3Å; T268-K270 PolarHBondContact O-N 3.17Å; K270-L272 PolarHBondContact O-N 2.89Å; K270-D280 IonicContact NZ-OD2 3.87Å; K270-D280 PolarHBondContact NZ-OD2 2.88Å |
| 271 | D | 53.1 | Low | 57 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.6 | -177.9 | -71.4 | -28.7 | 0 | 0 | 0 | 114.1 | V267 N273 | V267-D271 PolarHBondContact O-N 3.42Å; D271-N273 VanDerWaalsContact C-N 3.32Å; D271-N273 PolarHBondContact O-N 3.47Å |
| 272 | L | 52.2 | Low | 55.6 | Low | 153 Ų | 153 | 105 Ų | 105 | 80% | 0.801 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -7.5 | 178.8 | -79.5 | 168.1 | 0 | 0 | 0 | 115 | K270 | K270-L272 PolarHBondContact O-N 2.89Š|
| 273 | N | 50.2 | Low | 54 | Low | 138 Ų | 138 | 107 Ų | 107 | 74% | 0.738 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -138.3 | 6.9 | -162.4 | -133.8 | 2.7 | 0 | 0 | 0 | 117.6 | D271 | D271-N273 VanDerWaalsContact C-N 3.32Å; D271-N273 PolarHBondContact O-N 3.47Å |
| 274 | N | 44.8 | Very low | 52.6 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 64% | 0.642 | 56% | 0.564 | S | S | * | * | trans | -173.4 | 137.1 | 159 | -102.4 | -32.2 | 0 | 0 | 0 | 112.7 | D276 | N274-D276 PolarHBondContact O-N 3.49Š| ||
| 275 | N | 48.3 | Very low | 50.9 | Low | 158 Ų | 158 | 107.9 Ų | 107.9 | 85% | 0.845 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -11.2 | -174.4 | -79.2 | -52.5 | 0 | 0 | 0 | 115.5 | ||
| 276 | D | 52.8 | Low | 49 | Very low | 140 Ų | 140 | 108.3 Ų | 108.3 | 75% | 0.749 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -13 | -166.4 | -69.3 | -60.3 | 0 | 0 | 0 | 116.1 | N274 K278 | N274-D276 PolarHBondContact O-N 3.49Å; D276-K278 PolarHBondContact O-N 3.42Å |
| 277 | H | 48.6 | Very low | 47.3 | Very low | 112 Ų | 112 | 108.3 Ų | 108.3 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | trans | -94.4 | 23.8 | -167.8 | -75.5 | -74.2 | 0 | 0 | 0 | 116.3 | K279 D280 | H277-K279 PolarHBondContact O-N 2.92Å; H277-D280 IonicContact ND1-OD1 2.97Å; H277-D280 PolarHBondContact O-N 2.77Å | ||
| 278 | K | 45.3 | Very low | 45.6 | Very low | 201 Ų | 201 | 111.9 Ų | 111.9 | 87% | 0.874 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 19.1 | -178.7 | -151.4 | 168 | -174.1 | 167.4 | 0 | 115.4 | D276 | D276-K278 PolarHBondContact O-N 3.42Š|
| 279 | K | 45 | Very low | 44.2 | Very low | 177 Ų | 177 | 115.5 Ų | 115.5 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -21.5 | 175.1 | -75.5 | -178.5 | 175.6 | 176.2 | 0 | 114.2 | H277 V281 T282 | H277-K279 PolarHBondContact O-N 2.92Å; K279-V281 PolarHBondContact O-N 3.26Å; K279-T282 PolarHBondContact O-OG1 3.41Å |
| 280 | D | 45.6 | Very low | 43.3 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 39% | 0.39 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -64.2 | -28.9 | -177.6 | -78.7 | 15.4 | 0 | 0 | 0 | 113.1 | K270 H277 T282 D283 | K270-D280 IonicContact NZ-OD2 3.87Å; K270-D280 PolarHBondContact NZ-OD2 2.88Å; H277-D280 IonicContact ND1-OD1 2.97Å; H277-D280 PolarHBondContact O-N 2.77Å; D280-T282 VanDerWaalsContact C-N 3.28Å; D280-T282 PolarHBondContact O-N 2.84Å; D280-D283 PolarHBondContact O-N 3.34Å; D280-D283 VanDerWaalsContact O-N 3.14Å |
| 281 | V | 45.6 | Very low | 42.3 | Very low | 97 Ų | 97 | 117.9 Ų | 117.9 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -68.8 | -24.6 | -169.3 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | K279 | K279-V281 PolarHBondContact O-N 3.26Š|
| 282 | T | 43.5 | Very low | 41.7 | Very low | 107 Ų | 107 | 115.4 Ų | 115.4 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -79.3 | -18.8 | 175.1 | 38.2 | 0 | 0 | 0 | 0 | 113.9 | K279 D280 W284 S285 | K279-T282 PolarHBondContact O-OG1 3.41Å; D280-T282 VanDerWaalsContact C-N 3.28Å; D280-T282 PolarHBondContact O-N 2.84Å; T282-W284 PolarHBondContact O-N 3.14Å; T282-S285 PolarHBondContact O-OG 2.88Å |
| 283 | D | 38 | Very low | 41.6 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -92.1 | 4.2 | -164.5 | -136.5 | 28.6 | 0 | 0 | 0 | 114.9 | D280 S285 N286 | D280-D283 PolarHBondContact O-N 3.34Å; D280-D283 VanDerWaalsContact O-N 3.14Å; D283-S285 PolarHBondContact O-N 3.37Å; D283-N286 PolarHBondContact O-N 3.2Å; D283-N286 PolarHBondContact OD1-ND2 3Å |
| 284 | W | 39.7 | Very low | 41.9 | Very low | 102 Ų | 102 | 113 Ų | 113 | 39% | 0.386 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -63.1 | 3.4 | 165.8 | -73.1 | 48.8 | 0 | 0 | 0 | 113.3 | L233 Y266 T282 | L233-W284 HydrophobicContact CD1-CH2 4.35Å; L233-W284 HydrophobicContact CD1-CZ3 4.29Å; Y266-W284 HydrophobicContact CD1-CZ2 4.35Å; Y266-W284 HydrophobicContact CE1-CZ2 4.37Å; T282-W284 PolarHBondContact O-N 3.14Å |
| 285 | S | 32.9 | Very low | 42.9 | Very low | 82 Ų | 82 | 108 Ų | 108 | 57% | 0.573 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -109.1 | -16.2 | -176.1 | 56.7 | 0 | 0 | 0 | 0 | 115 | T282 D283 | T282-S285 PolarHBondContact O-OG 2.88Å; D283-S285 PolarHBondContact O-N 3.37Å |
| 286 | N | 29.8 | Very low | 44.2 | Very low | 109 Ų | 109 | 100.7 Ų | 100.7 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | trans | -125.4 | 0.2 | -158.5 | -65 | -41.2 | 0 | 0 | 0 | 117.6 | D283 P288 | D283-N286 PolarHBondContact O-N 3.2Å; D283-N286 PolarHBondContact OD1-ND2 3Å; N286-P288 VanDerWaalsContact O-CD 3.24Å; N286-P288 WeakPolarHBondContact O-CD 3.23Å | ||
| 287 | S | 30.6 | Very low | 45.2 | Very low | 51 Ų | 51 | 98 Ų | 98 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | trans | -85.7 | 108.4 | 178.5 | 148 | 0 | 0 | 0 | 0 | 110.8 | T289 E290 S291 | S287-T289 PolarHBondContact O-N 2.83Å; S287-E290 PolarHBondContact O-N 3.34Å; S287-E290 PolarHBondContact OG-N 3.27Å; S287-S291 WeakPolarHBondContact CA-OG 3.2Å; S287-S291 PolarHBondContact N-OG 2.61Å; S287-S291 PolarHBondContact O-N 3.17Å; S287-S291 PolarHBondContact O-OG 2.91Å; S287-S291 VanDerWaalsContact O-OG 3.08Å; S287-S291 PolarHBondContact OG-N 3.46Å | ||
| 288 | P | 31.3 | Very low | 46.5 | Very low | 131 Ų | 131 | 98.1 Ų | 98.1 | 85% | 0.851 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -7.6 | -163.3 | -21.9 | 35.4 | 0 | 0 | 0 | 115.9 | N286 | N286-P288 VanDerWaalsContact O-CD 3.24Å; N286-P288 WeakPolarHBondContact O-CD 3.23Å |
| 289 | T | 36.5 | Very low | 48.2 | Very low | 130 Ų | 130 | 89.4 Ų | 89.4 | 80% | 0.798 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | -4.5 | -172.5 | 47.6 | 0 | 0 | 0 | 0 | 114.2 | S287 | S287-T289 PolarHBondContact O-N 2.83Š|
| 290 | E | 41.6 | Very low | 50 | Low | 150 Ų | 150 | 85 Ų | 85 | 70% | 0.701 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.7 | -7.1 | -179.1 | -122.2 | 163.4 | -144.8 | 0 | 0 | 116.6 | S287 S292 | S287-E290 PolarHBondContact O-N 3.34Å; S287-E290 PolarHBondContact OG-N 3.27Å; E290-S292 PolarHBondContact O-N 2.75Å |
| 291 | S | 32.5 | Very low | 52.1 | Low | 35 Ų | 35 | 81.8 Ų | 81.8 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | trans | -95.8 | 33.1 | 176.9 | 74.6 | 0 | 0 | 0 | 0 | 115.4 | S287 I293 | S287-S291 WeakPolarHBondContact CA-OG 3.2Å; S287-S291 PolarHBondContact N-OG 2.61Å; S287-S291 PolarHBondContact O-N 3.17Å; S287-S291 PolarHBondContact O-OG 2.91Å; S287-S291 VanDerWaalsContact O-OG 3.08Å; S287-S291 PolarHBondContact OG-N 3.46Å; S291-I293 VanDerWaalsContact C-N 3.33Å; S291-I293 PolarHBondContact O-N 3.25Å | ||
| 292 | S | 41.1 | Very low | 54.3 | Low | 63 Ų | 63 | 78.8 Ų | 78.8 | 44% | 0.441 | 42% | 0.423 | S | S | . | . | trans | -79.8 | -7.3 | -178.6 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | E290 R294 | E290-S292 PolarHBondContact O-N 2.75Å; S292-R294 PolarHBondContact O-N 3.32Å | ||
| 293 | I | 50.5 | Low | 56.7 | Low | 63 Ų | 63 | 73.8 Ų | 73.8 | 32% | 0.323 | 39% | 0.393 | S | S | . | . | trans | -75.2 | 75.5 | 175.9 | -48.8 | -179.4 | 0 | 0 | 0 | 110.2 | L233 S291 L295 | L233-I293 HydrophobicContact CB-CG2 4.07Å; L233-I293 VanDerWaalsContact O-CG2 3.3Å; L233-I293 WeakPolarHBondContact O-CG2 3Å; S291-I293 VanDerWaalsContact C-N 3.33Å; S291-I293 PolarHBondContact O-N 3.25Å; I293-L295 PolarHBondContact O-N 2.8Å | ||
| 294 | R | 55.3 | Low | 59.3 | Low | 178 Ų | 178 | 71.3 Ų | 71.3 | 67% | 0.672 | 39% | 0.385 | S | S | * | . | trans | -60 | 116.9 | 151.3 | -70.6 | -176.6 | 177.9 | -179.7 | 0.1 | 107 | S292 M296 H298 M299 | S292-R294 PolarHBondContact O-N 3.32Å; R294-M296 PolarHBondContact O-N 3.03Å; R294-H298 HydrophobicContact CB-CB 4.46Å; R294-M299 WeakPolarHBondContact O-CE 3.2Å | ||
| 295 | L | 66.5 | Low | 61.5 | Low | 15 Ų | 15 | 69.9 Ų | 69.9 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | trans | -43.4 | 134.9 | 165.3 | -70.6 | 162.5 | 0 | 0 | 0 | 109.4 | L233 Q259 A263 I293 Q297 H298 | L233-L295 HydrophobicContact CB-CD2 4.44Å; L233-L295 HydrophobicContact CD1-CD2 3.72Å; L233-L295 HydrophobicContact CD2-CD2 3.78Å; L233-L295 HydrophobicContact CG-CD2 4.17Å; Q259-L295 HydrophobicContact CB-CD2 4.21Å; A263-L295 HydrophobicContact CB-CD1 3.77Å; A263-L295 HydrophobicContact CB-CD2 3.77Å; A263-L295 HydrophobicContact CB-CG 4.43Å; I293-L295 PolarHBondContact O-N 2.8Å; L295-Q297 HydrophobicContact CB-CG 3.91Å; L295-Q297 PolarHBondContact O-N 3.36Å; L295-H298 WeakPolarHBondContact O-CB 3.08Å; L295-H298 PolarHBondContact O-N 3.16Å | ||
| 296 | M | 76.2 | Confident | 64.1 | Low | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.02 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -58.4 | -24 | -171.4 | -71.5 | 170.9 | 58.1 | 0 | 0 | 113.1 | G234 L236 L252 L255 V256 Q259 R294 H298 M299 M301 | G234-M296 VanDerWaalsContact O-SD 3.4Å; L236-M296 HydrophobicContact CB-CE 3.95Å; L236-M296 HydrophobicContact CB-SD 4.18Å; L252-M296 HydrophobicContact CD1-CE 3.64Å; L255-M296 HydrophobicContact CD2-CE 3.68Å; L255-M296 HydrophobicContact CD2-SD 3.89Å; L255-M296 HydrophobicContact CG-CE 4Å; L255-M296 HydrophobicContact CG-SD 3.94Å; V256-M296 HydrophobicContact CG2-CB 3.79Å; V256-M296 HydrophobicContact CG2-CE 4.13Å; Q259-M296 PolarHBondContact NE2-SD 2.68Å; R294-M296 PolarHBondContact O-N 3.03Å; M296-H298 PolarHBondContact O-N 3.15Å; M296-H298 VanDerWaalsContact O-N 3.14Å; M296-M299 HydrophobicContact CB-SD 4.49Å; M296-M299 HydrophobicContact CG-CE 3.87Å; M296-M299 HydrophobicContact CG-SD 4.16Å; M296-M299 WeakPolarHBondContact O-CB 3.32Å; M296-M299 PolarHBondContact O-N 2.96Å; M296-M301 HydrophobicContact CB-CE 4.32Å; M296-M301 HydrophobicContact CE-CE 3.94Å; M296-M301 HydrophobicContact CG-CE 4.45Å |
| 297 | Q | 73.5 | Confident | 66.7 | Low | 82 Ų | 82 | 67.9 Ų | 67.9 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -54.9 | -25.7 | 170.2 | 78.3 | -171.9 | 20.8 | 0 | 0 | 115 | V256 L295 | V256-Q297 HydrophobicContact CG1-CB 4.02Å; L295-Q297 HydrophobicContact CB-CG 3.91Å; L295-Q297 PolarHBondContact O-N 3.36Å |
| 298 | H | 74.9 | Confident | 69.4 | Low | 115 Ų | 115 | 69 Ų | 69 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -91.4 | -5.7 | 179.4 | -58.4 | 133.8 | 0 | 0 | 0 | 113 | R294 L295 M296 | R294-H298 HydrophobicContact CB-CB 4.46Å; L295-H298 WeakPolarHBondContact O-CB 3.08Å; L295-H298 PolarHBondContact O-N 3.16Å; M296-H298 PolarHBondContact O-N 3.15Å; M296-H298 VanDerWaalsContact O-N 3.14Å |
| 299 | M | 81.7 | Confident | 72 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -82.3 | 139.8 | 172.8 | -55.4 | -176.7 | -169.9 | 0 | 0 | 109 | Y235 D237 R294 M296 M301 | Y235-M299 HydrophobicContact CD2-CE 3.64Å; Y235-M299 HydrophobicContact CE1-CE 4.42Å; Y235-M299 HydrophobicContact CE2-CE 3.44Å; Y235-M299 VanDerWaalsContact CE2-CE 3.44Å; Y235-M299 HydrophobicContact CG-CE 4.24Å; D237-M299 HydrophobicContact CB-CE 4.46Å; D237-M299 HydrophobicContact CB-SD 3.75Å; R294-M299 WeakPolarHBondContact O-CE 3.2Å; M296-M299 HydrophobicContact CB-SD 4.49Å; M296-M299 HydrophobicContact CG-CE 3.87Å; M296-M299 HydrophobicContact CG-SD 4.16Å; M296-M299 WeakPolarHBondContact O-CB 3.32Å; M296-M299 PolarHBondContact O-N 2.96Å; M299-M301 HydrophobicContact CB-CE 3.79Å; M299-M301 HydrophobicContact CB-CG 4.18Å; M299-M301 HydrophobicContact CG-CE 4.21Å; M299-M301 PolarHBondContact O-N 2.71Å; M299-M301 HydrophobicContact SD-CE 3.47Å; M299-M301 WeakPolarHBondContact SD-CE 3.23Å |
| 300 | N | 83.6 | Confident | 74.5 | Confident | 86 Ų | 86 | 60.4 Ų | 60.4 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | trans | -85.1 | 63.9 | -178.6 | -162.9 | 57.4 | 0 | 0 | 0 | 111.1 | ||||
| 301 | M | 89 | Confident | 76.7 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | trans | -80.1 | 124.1 | 173.5 | -57.7 | -171.1 | -155.7 | 0 | 0 | 109.6 | L236 L238 L252 M296 M299 K313 L314 | L236-M301 WeakPolarHBondContact O-CE 3.45Å; L238-M301 HydrophobicContact CB-SD 4.07Å; L252-M301 HydrophobicContact CD1-SD 4.47Å; L252-M301 HydrophobicContact CD2-SD 4.21Å; M296-M301 HydrophobicContact CB-CE 4.32Å; M296-M301 HydrophobicContact CE-CE 3.94Å; M296-M301 HydrophobicContact CG-CE 4.45Å; M299-M301 HydrophobicContact CB-CE 3.79Å; M299-M301 HydrophobicContact CB-CG 4.18Å; M299-M301 HydrophobicContact CG-CE 4.21Å; M299-M301 PolarHBondContact O-N 2.71Å; M299-M301 HydrophobicContact SD-CE 3.47Å; M299-M301 WeakPolarHBondContact SD-CE 3.23Å; M301-K313 WeakPolarHBondContact O-CA 3.36Å; M301-L314 HydrophobicContact CB-CD1 3.79Å; M301-L314 HydrophobicContact CB-CD2 4.39Å; M301-L314 HydrophobicContact CB-CG 3.82Å; M301-L314 HydrophobicContact CG-CD1 4.46Å; M301-L314 PolarHBondContact O-N 2.84Å; M301-L314 HydrophobicContact SD-CD1 3.91Å | ||
| 302 | T | 92.3 | Very high | 79.4 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 20% | 0.202 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 153 | -178.3 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | K312 | T302-K312 CarbonylContact C-O 3.57Å; T302-K312 WeakPolarHBondContact CA-O 3.13Å; T302-K312 VanDerWaalsContact CB-O 3.23Å; T302-K312 WeakPolarHBondContact CB-O 3.3Å |
| 303 | C | 93.1 | Very high | 81.8 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 141.1 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 110 | C245 L309 A310 G311 K312 | C245-C303 HydrophobicContact CB-CB 3.74Å; C245-C303 WeakPolarHBondContact CB-SG 3.13Å; C245-C303 WeakPolarHBondContact SG-CB 3.26Å; C245-C303 CovalentContact SG-SG 2.03Å; C245-C303 PolarHBondContact SG-SG 3.12Å; C303-L309 HydrophobicContact CB-CB 3.9Å; C303-L309 WeakPolarHBondContact CB-O 3.3Å; C303-A310 CarbonylContact O-C 3.59Å; C303-A310 WeakPolarHBondContact O-CA 3.36Å; C303-G311 PolarHBondContact O-N 3.12Å; C303-K312 PolarHBondContact N-O 3.49Å |
| 304 | A | 92.3 | Very high | 83.6 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -27.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P242 L243 | P242-A304 HydrophobicContact CB-CB 4.08Å; L243-A304 PolarHBondContact O-N 3.23Å |
| 305 | Q | 86.8 | Confident | 85.1 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 158.4 | 174.9 | -60 | 179 | 17.8 | 0 | 0 | 109.5 | L243 N244 C245 | L243-Q305 PolarHBondContact O-N 3.27Å; L243-Q305 VanDerWaalsContact O-N 3.09Å; N244-Q305 CarbonylContact C-O 3.59Å; N244-Q305 HydrophobicContact CB-CB 4.09Å; N244-Q305 WeakPolarHBondContact OD1-CB 3.48Å; C245-Q305 PolarHBondContact N-O 2.87Å |
| 306 | P | 86.2 | Confident | 86 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | S | Bend | cis | -63 | 165.8 | -15.3 | 29.3 | -37.2 | 0 | 0 | 0 | 112.1 | A308 L309 A310 | P306-A308 PolarHBondContact O-N 2.63Å; P306-L309 HydrophobicContact CG-CD1 4.34Å; P306-L309 HydrophobicContact CG-CG 4.45Å; P306-L309 PolarHBondContact O-N 3.06Å; P306-A310 PolarHBondContact O-N 3.3Å |
| 307 | P | 85.8 | Confident | 86.2 | Confident | 103 Ų | 103 | 61.7 Ų | 61.7 | 67% | 0.669 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.2 | -175.7 | -28.8 | 36.4 | 0 | 0 | 0 | 115.2 | L309 A310 | P307-L309 PolarHBondContact O-N 3.08Å; P307-A310 PolarHBondContact O-N 3.5Å |
| 308 | A | 85.8 | Confident | 86.3 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 61% | 0.612 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P306 K312 | P306-A308 PolarHBondContact O-N 2.63Å; A308-K312 WeakPolarHBondContact O-CE 3.41Å; A308-K312 PolarHBondContact O-NZ 2.85Å |
| 309 | L | 86.8 | Confident | 86.6 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -6.2 | 177.5 | -65.4 | -179.9 | 0 | 0 | 0 | 113.4 | C245 C303 P306 P307 G311 K312 P315 | C245-L309 HydrophobicContact CB-CD1 3.85Å; C303-L309 HydrophobicContact CB-CB 3.9Å; C303-L309 WeakPolarHBondContact CB-O 3.3Å; P306-L309 HydrophobicContact CG-CD1 4.34Å; P306-L309 HydrophobicContact CG-CG 4.45Å; P306-L309 PolarHBondContact O-N 3.06Å; P307-L309 PolarHBondContact O-N 3.08Å; L309-G311 PolarHBondContact O-N 3.13Å; L309-K312 HydrophobicContact CD2-CD 4.36Å; L309-K312 WeakPolarHBondContact O-CB 3.36Å; L309-K312 PolarHBondContact O-N 3.22Å; L309-P315 HydrophobicContact CD1-CG 3.93Å; L309-P315 HydrophobicContact CD2-CB 4.35Å |
| 310 | A | 88.5 | Confident | 86.5 | Confident | 51 Ų | 51 | 64.8 Ų | 64.8 | 42% | 0.421 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 129.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C303 P306 P307 K312 | C303-A310 CarbonylContact O-C 3.59Å; C303-A310 WeakPolarHBondContact O-CA 3.36Å; P306-A310 PolarHBondContact O-N 3.3Å; P307-A310 PolarHBondContact O-N 3.5Å; A310-K312 PolarHBondContact O-N 2.87Å |
| 311 | G | 88.1 | Confident | 86.2 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 68% | 0.68 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -9.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C303 L309 | C303-G311 PolarHBondContact O-N 3.12Å; L309-G311 PolarHBondContact O-N 3.13Å |
| 312 | K | 90 | Very high | 85.6 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -79.9 | 157.2 | 175.6 | -57.5 | -180 | -174.5 | 164.5 | 0 | 110.4 | T302 C303 A308 L309 A310 | T302-K312 CarbonylContact C-O 3.57Å; T302-K312 WeakPolarHBondContact CA-O 3.13Å; T302-K312 VanDerWaalsContact CB-O 3.23Å; T302-K312 WeakPolarHBondContact CB-O 3.3Å; C303-K312 PolarHBondContact N-O 3.49Å; A308-K312 WeakPolarHBondContact O-CE 3.41Å; A308-K312 PolarHBondContact O-NZ 2.85Å; L309-K312 HydrophobicContact CD2-CD 4.36Å; L309-K312 WeakPolarHBondContact O-CB 3.36Å; L309-K312 PolarHBondContact O-N 3.22Å; A310-K312 PolarHBondContact O-N 2.87Å |
| 313 | K | 90.3 | Very high | 85 | Confident | 128 Ų | 128 | 67.6 Ų | 67.6 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -61.8 | 163 | 165.7 | -70.5 | -168.5 | 173.3 | -167.1 | 0 | 110.7 | M301 | M301-K313 WeakPolarHBondContact O-CA 3.36Å |
| 314 | L | 89.6 | Confident | 84.3 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 18% | 0.178 | 39% | 0.392 | C | S | . | . | trans | -45.4 | 127.7 | 170 | -63.8 | 178.2 | 0 | 0 | 0 | 110.6 | L243 L252 V256 M301 | L243-L314 HydrophobicContact CD1-CD2 4.32Å; L252-L314 HydrophobicContact CD2-CD1 3.8Å; L252-L314 HydrophobicContact CD2-CD2 4.07Å; L252-L314 HydrophobicContact CG-CD1 3.93Å; V256-L314 HydrophobicContact CG2-CD1 4.41Å; M301-L314 HydrophobicContact CB-CD1 3.79Å; M301-L314 HydrophobicContact CB-CD2 4.39Å; M301-L314 HydrophobicContact CB-CG 3.82Å; M301-L314 HydrophobicContact CG-CD1 4.46Å; M301-L314 PolarHBondContact O-N 2.84Å; M301-L314 HydrophobicContact SD-CD1 3.91Å | ||
| 315 | P | 86.3 | Confident | 84 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | trans | -79.2 | 176.2 | 179.4 | 39.1 | -41.7 | 0 | 0 | 0 | 110.5 | S253 L309 D319 Y320 | S253-P315 WeakPolarHBondContact CB-O 3.47Å; S253-P315 PolarHBondContact OG-O 3.48Å; L309-P315 HydrophobicContact CD1-CG 3.93Å; L309-P315 HydrophobicContact CD2-CB 4.35Å; P315-D319 HydrophobicContact CB-CB 3.8Å; P315-D319 HydrophobicContact CG-CB 4.39Å; P315-Y320 HydrophobicContact CG-CD1 4.44Å; P315-Y320 HydrophobicContact CG-CD2 4.18Å; P315-Y320 HydrophobicContact CG-CE1 4.08Å; P315-Y320 HydrophobicContact CG-CE2 3.75Å | ||
| 316 | R | 85.4 | Confident | 84.1 | Confident | 147 Ų | 147 | 69 Ų | 69 | 56% | 0.555 | 37% | 0.372 | S | S | * | . | trans | -71.5 | 157.6 | 179 | -61.1 | -174.2 | 179.2 | -163.4 | 2.9 | 110.8 | E257 W318 D319 Y320 | E257-R316 WeakPolarHBondContact OE1-CA 3.32Å; R316-W318 HydrophobicContact CB-CD2 4.12Å; R316-W318 HydrophobicContact CB-CG 4.5Å; R316-W318 HydrophobicContact CB-CZ2 4.29Å; R316-W318 HydrophobicContact CG-CZ2 4.41Å; R316-W318 PolarHBondContact O-N 2.99Å; R316-D319 WeakPolarHBondContact CB-OD2 3.16Å; R316-D319 PolarHBondContact N-OD2 3.29Å; R316-D319 WeakPolarHBondContact O-CB 3.47Å; R316-D319 PolarHBondContact O-N 2.89Å; R316-Y320 VanDerWaalsContact O-CD2 3.3Å; R316-Y320 WeakPolarHBondContact O-CD2 3.47Å | ||
| 317 | S | 81.2 | Confident | 84.3 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -7.5 | -175.7 | 61.4 | 0 | 0 | 0 | 0 | 116.1 | V250 E257 | V250-S317 WeakPolarHBondContact CG2-O 3.36Å; E257-S317 PolarHBondContact OE1-N 2.83Å; E257-S317 PolarHBondContact OE1-OG 3.04Å; E257-S317 WeakPolarHBondContact OE2-CB 3.4Å; E257-S317 PolarHBondContact OE2-OG 3.35Å |
| 318 | W | 74.5 | Confident | 84.5 | Confident | 175 Ų | 175 | 66.1 Ų | 66.1 | 66% | 0.663 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -12.7 | 172.2 | 59.4 | 66.4 | 0 | 0 | 0 | 114.6 | R316 Y320 | R316-W318 HydrophobicContact CB-CD2 4.12Å; R316-W318 HydrophobicContact CB-CG 4.5Å; R316-W318 HydrophobicContact CB-CZ2 4.29Å; R316-W318 HydrophobicContact CG-CZ2 4.41Å; R316-W318 PolarHBondContact O-N 2.99Å; W318-Y320 VanDerWaalsContact C-N 3.31Å |
| 319 | D | 80.7 | Confident | 84.7 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -82.6 | -9.4 | -177.9 | -63.8 | -37.7 | 0 | 0 | 0 | 112.6 | P315 R316 | P315-D319 HydrophobicContact CB-CB 3.8Å; P315-D319 HydrophobicContact CG-CB 4.39Å; R316-D319 WeakPolarHBondContact CB-OD2 3.16Å; R316-D319 PolarHBondContact N-OD2 3.29Å; R316-D319 WeakPolarHBondContact O-CB 3.47Å; R316-D319 PolarHBondContact O-N 2.89Å |
| 320 | Y | 80.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 8% | 0.078 | 34% | 0.339 | C | S | . | . | trans | -76.2 | 133.8 | -179.8 | -71.9 | -90.1 | 0 | 0 | 0 | 112.1 | C245 D246 L249 V250 S253 P315 R316 W318 | C245-Y320 HydrophobicContact CB-CD1 4.33Å; C245-Y320 HydrophobicContact CB-CE1 3.75Å; C245-Y320 WeakPolarHBondContact O-CD1 3.47Å; D246-Y320 WeakPolarHBondContact O-CD1 3.02Å; L249-Y320 HydrophobicContact CB-CE1 4.09Å; V250-Y320 HydrophobicContact CB-CD2 4.2Å; V250-Y320 HydrophobicContact CB-CG 4.19Å; V250-Y320 HydrophobicContact CG2-CD2 3.88Å; V250-Y320 HydrophobicContact CG2-CG 4.21Å; S253-Y320 VanDerWaalsContact OG-CE2 3.3Å; S253-Y320 WeakPolarHBondContact OG-CE2 3.29Å; S253-Y320 PolarHBondContact OG-OH 3.3Å; P315-Y320 HydrophobicContact CG-CD1 4.44Å; P315-Y320 HydrophobicContact CG-CD2 4.18Å; P315-Y320 HydrophobicContact CG-CE1 4.08Å; P315-Y320 HydrophobicContact CG-CE2 3.75Å; R316-Y320 VanDerWaalsContact O-CD2 3.3Å; R316-Y320 WeakPolarHBondContact O-CD2 3.47Å; W318-Y320 VanDerWaalsContact C-N 3.31Å | ||
| 321 | F | 76.4 | Confident | 84.9 | Confident | 146 Ų | 146 | 65.8 Ų | 65.8 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | trans | -127.6 | 142.7 | -178 | -176.3 | -96.2 | 0 | 0 | 0 | 112.7 | P323 | F321-P323 HydrophobicContact CE1-CB 4.35Š| ||
| 322 | C | 77.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | trans | -138.8 | 139.3 | 162.5 | -76.3 | 0 | 0 | 0 | 0 | 108.7 | C247 P352 R472 | C247-C322 HydrophobicContact CB-CB 3.77Å; C247-C322 WeakPolarHBondContact CB-SG 3.44Å; C247-C322 PolarHBondContact N-SG 2.83Å; C247-C322 WeakPolarHBondContact SG-CB 3.16Å; C247-C322 CovalentContact SG-SG 2.03Å; C247-C322 PolarHBondContact SG-SG 3.03Å; C322-P352 WeakPolarHBondContact SG-CD 2.99Å; C322-R472 PolarHBondContact O-NH1 2.91Å | ||
| 323 | P | 77.9 | Confident | 84.7 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 149.2 | 172.8 | 31.3 | -35.7 | 0 | 0 | 0 | 110.4 | F321 R351 M401 | F321-P323 HydrophobicContact CE1-CB 4.35Å; P323-R351 HydrophobicContact CG-CB 3.79Å; P323-R351 HydrophobicContact CG-CG 4.44Å; P323-M401 HydrophobicContact CB-CE 3.75Å; P323-M401 HydrophobicContact CG-CE 3.77Å; P323-M401 HydrophobicContact CG-SD 4.2Å |
| 324 | I | 80.1 | Confident | 84.2 | Confident | 108 Ų | 108 | 64 Ų | 64 | 55% | 0.554 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 129.2 | 175.3 | -60.6 | 171.9 | 0 | 0 | 0 | 108.2 | ||
| 325 | P | 85.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 143.4 | 176.7 | 30.2 | -35.5 | 0 | 0 | 0 | 110.5 | K349 P354 I424 R472 H474 | P325-K349 CarbonylContact C-O 3.56Å; P325-K349 WeakPolarHBondContact CA-O 3.19Å; P325-P354 HydrophobicContact CB-CB 4.07Å; P325-I424 HydrophobicContact CB-CD1 3.96Å; P325-I424 HydrophobicContact CB-CG1 4.08Å; P325-I424 HydrophobicContact CB-CG2 4.19Å; P325-R472 WeakPolarHBondContact CD-O 3.3Å; P325-R472 WeakPolarHBondContact CG-O 3.43Å; P325-H474 WeakPolarHBondContact O-CB 3.31Å |
| 326 | S | 88.4 | Confident | 82.8 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140.2 | -173.7 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | T328 G348 K349 H474 | S326-T328 PolarHBondContact O-N 2.91Å; S326-G348 CarbonylContact O-C 3.57Å; S326-G348 WeakPolarHBondContact O-CA 3.33Å; S326-K349 PolarHBondContact N-O 2.76Å; S326-K349 PolarHBondContact O-N 3Å; S326-H474 WeakPolarHBondContact CA-ND1 3.34Å |
| 327 | I | 90.8 | Very high | 82 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.2 | 167.6 | -66.3 | 168.6 | 0 | 0 | 0 | 106.9 | I330 I347 C422 I424 H474 V476 | I327-I330 HydrophobicContact CG2-CG1 4.33Å; I327-I347 CarbonylContact C-O 3.6Å; I327-I347 WeakPolarHBondContact CA-O 3.3Å; I327-C422 HydrophobicContact CD1-CB 3.98Å; I327-C422 WeakPolarHBondContact CD1-O 3.19Å; I327-I424 HydrophobicContact CD1-CG2 4.44Å; I327-I424 HydrophobicContact CG1-CB 4.03Å; I327-I424 HydrophobicContact CG1-CG2 3.78Å; I327-H474 WeakPolarHBondContact CD1-O 3.08Å; I327-H474 PolarHBondContact N-ND1 3.48Å; I327-V476 HydrophobicContact CB-CG2 4Å; I327-V476 HydrophobicContact CD1-CB 3.87Å; I327-V476 HydrophobicContact CD1-CG2 3.78Å; I327-V476 HydrophobicContact CG1-CG2 4.46Å; I327-V476 HydrophobicContact CG2-CB 4.42Å; I327-V476 HydrophobicContact CG2-CG2 4.05Å |
| 328 | T | 90.5 | Very high | 81.1 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 44% | 0.436 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -8 | -176.6 | 57 | 0 | 0 | 0 | 0 | 113.6 | S326 I347 K349 | S326-T328 PolarHBondContact O-N 2.91Å; T328-I347 PolarHBondContact N-O 3.47Å; T328-K349 HydrophobicContact CG2-CB 3.96Å; T328-K349 HydrophobicContact CG2-CD 3.81Å; T328-K349 HydrophobicContact CG2-CG 3.66Å; T328-K349 WeakPolarHBondContact OG1-CE 3.22Å |
| 329 | G | 88.5 | Confident | 80.8 | Confident | 25 Ų | 25 | 65 Ų | 65 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | 164.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I347 | G329-I347 PolarHBondContact N-O 3.14Å; G329-I347 WeakPolarHBondContact O-CB 3.31Å; G329-I347 PolarHBondContact O-N 3.29Å |
| 330 | I | 90.8 | Very high | 80.5 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.2 | 168.8 | -57.6 | -178.7 | 0 | 0 | 0 | 106.8 | I327 I332 T345 W358 C422 V476 V478 | I327-I330 HydrophobicContact CG2-CG1 4.33Å; I330-I332 HydrophobicContact CG2-CG1 4.48Å; I330-T345 CarbonylContact C-O 3.6Å; I330-T345 WeakPolarHBondContact CA-O 3.36Å; I330-W358 HydrophobicContact CD1-CH2 4.16Å; I330-W358 HydrophobicContact CG2-CH2 3.96Å; I330-W358 HydrophobicContact CG2-CZ2 4.26Å; I330-C422 HydrophobicContact CD1-CB 4.49Å; I330-V476 HydrophobicContact CD1-CB 4.3Å; I330-V476 HydrophobicContact CD1-CG1 3.69Å; I330-V478 HydrophobicContact CD1-CG2 3.43Å; I330-V478 VanDerWaalsContact CD1-CG2 3.43Å; I330-V478 HydrophobicContact CG2-CG2 4.24Å |
| 331 | E | 89.9 | Confident | 80.5 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 36% | 0.355 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 140.5 | 173.1 | -69.9 | 160 | 175.2 | 0 | 0 | 108.9 | T345 I347 K405 | E331-T345 PolarHBondContact N-O 3.01Å; E331-T345 PolarHBondContact O-N 3.22Å; E331-I347 HydrophobicContact CG-CD1 3.92Å; E331-I347 WeakPolarHBondContact OE1-CD1 3.38Å; E331-K405 IonicContact OE1-NZ 3.65Å; E331-K405 PolarHBondContact OE1-NZ 3.36Å; E331-K405 IonicContact OE2-NZ 3.24Å; E331-K405 PolarHBondContact OE2-NZ 2.03Å |
| 332 | I | 87.2 | Confident | 80.9 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 111.3 | 177.6 | -56.3 | -177.1 | 0 | 0 | 0 | 108.5 | I330 A342 Q343 L344 | I330-I332 HydrophobicContact CG2-CG1 4.48Å; I332-A342 HydrophobicContact CG2-CB 4.43Å; I332-Q343 WeakPolarHBondContact CA-O 3.5Å; I332-L344 HydrophobicContact CB-CD2 4.46Å; I332-L344 HydrophobicContact CD1-CD2 4.05Å; I332-L344 HydrophobicContact CG1-CD2 3.84Å; I332-L344 HydrophobicContact CG2-CD2 4.08Å |
| 333 | N | 85.2 | Confident | 81.4 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.8 | -176 | -64.3 | -35.9 | 0 | 0 | 0 | 110.8 | L335 A342 Q343 | N333-L335 PolarHBondContact O-N 3.25Å; N333-A342 CarbonylContact O-C 3.56Å; N333-A342 WeakPolarHBondContact O-CA 3.44Å; N333-Q343 HydrophobicContact CB-CB 4.36Å; N333-Q343 PolarHBondContact N-O 3.19Å; N333-Q343 PolarHBondContact O-N 3.07Å |
| 334 | M | 80.7 | Confident | 81.9 | Confident | 103 Ų | 103 | 59.5 Ų | 59.5 | 51% | 0.507 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 121.3 | 176.9 | -58.3 | -62.3 | -77.4 | 0 | 0 | 109.9 | A339 A342 L412 | M334-A339 HydrophobicContact CE-CB 3.53Å; M334-A342 HydrophobicContact SD-CB 3.95Å; M334-L412 HydrophobicContact CE-CD1 3.67Å; M334-L412 HydrophobicContact SD-CD1 4.16Å |
| 335 | L | 76.1 | Confident | 82.5 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | trans | -85.1 | -14.8 | -171.5 | -66.2 | 177.2 | 0 | 0 | 0 | 114 | N333 F341 Q343 N409 | N333-L335 PolarHBondContact O-N 3.25Å; L335-F341 HydrophobicContact CB-CB 4.17Å; L335-F341 HydrophobicContact CD1-CB 4.37Å; L335-F341 PolarHBondContact N-O 2.71Å; L335-Q343 HydrophobicContact CD1-CB 4.2Å; L335-Q343 HydrophobicContact CD2-CB 4.03Å; L335-Q343 HydrophobicContact CG-CB 4.12Å; L335-N409 HydrophobicContact CD1-CB 4.36Å | ||
| 336 | K | 71.2 | Confident | 82.8 | Confident | 113 Ų | 113 | 54.9 Ų | 54.9 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -144.6 | 149.7 | 177.6 | -64.8 | -174.9 | -176.2 | 173.9 | 0 | 111 | S338 A339 F341 | K336-S338 WeakPolarHBondContact CB-OG 3.08Å; K336-S338 PolarHBondContact O-N 3.16Å; K336-A339 PolarHBondContact O-N 3.18Å; K336-A339 VanDerWaalsContact O-N 3.08Å; K336-F341 HydrophobicContact CD-CD2 4.12Å |
| 337 | A | 66.8 | Low | 83 | Confident | 119 Ų | 119 | 53.8 Ų | 53.8 | 98% | 0.983 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A339 | A337-A339 PolarHBondContact O-N 3.25Š|
| 338 | S | 64 | Low | 83 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -7.9 | 173.2 | 48.1 | 0 | 0 | 0 | 0 | 114.4 | K336 D340 | K336-S338 WeakPolarHBondContact CB-OG 3.08Å; K336-S338 PolarHBondContact O-N 3.16Å; S338-D340 VanDerWaalsContact CB-OD2 3.28Å; S338-D340 WeakPolarHBondContact CB-OD2 3.3Å; S338-D340 PolarHBondContact O-N 2.88Å; S338-D340 VanDerWaalsContact O-N 3.15Å; S338-D340 VanDerWaalsContact OG-CG 3.3Å; S338-D340 PolarHBondContact OG-OD2 2.94Å |
| 339 | A | 67.2 | Low | 82.9 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 28% | 0.281 | 30% | 0.295 | S | S | . | . | trans | 60.9 | 10.4 | -176 | 0 | 0 | 0 | 0 | 0 | 116.4 | M334 K336 A337 F341 L412 | M334-A339 HydrophobicContact CE-CB 3.53Å; K336-A339 PolarHBondContact O-N 3.18Å; K336-A339 VanDerWaalsContact O-N 3.08Å; A337-A339 PolarHBondContact O-N 3.25Å; A339-F341 PolarHBondContact O-N 2.89Å; A339-F341 VanDerWaalsContact O-N 3.16Å; A339-L412 WeakPolarHBondContact O-CB 3.37Å; A339-L412 VanDerWaalsContact O-CD1 3.26Å; A339-L412 WeakPolarHBondContact O-CD1 3.4Å | ||
| 340 | D | 74.6 | Confident | 82.6 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -65.7 | -17 | 179.5 | -35.9 | -62.8 | 0 | 0 | 0 | 114.5 | S338 S411 L412 | S338-D340 VanDerWaalsContact CB-OD2 3.28Å; S338-D340 WeakPolarHBondContact CB-OD2 3.3Å; S338-D340 PolarHBondContact O-N 2.88Å; S338-D340 VanDerWaalsContact O-N 3.15Å; S338-D340 VanDerWaalsContact OG-CG 3.3Å; S338-D340 PolarHBondContact OG-OD2 2.94Å; D340-S411 CarbonylContact O-C 3.52Å; D340-S411 WeakPolarHBondContact O-CA 3.36Å; D340-S411 PolarHBondContact O-OG 3.16Å; D340-L412 PolarHBondContact O-N 3.19Å |
| 341 | F | 80.4 | Confident | 81.8 | Confident | 71 Ų | 71 | 51.9 Ų | 51.9 | 31% | 0.311 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 135 | -172.1 | -65.3 | -82.4 | 0 | 0 | 0 | 112.6 | L335 K336 A339 V410 | L335-F341 HydrophobicContact CB-CB 4.17Å; L335-F341 HydrophobicContact CD1-CB 4.37Å; L335-F341 PolarHBondContact N-O 2.71Å; K336-F341 HydrophobicContact CD-CD2 4.12Å; A339-F341 PolarHBondContact O-N 2.89Å; A339-F341 VanDerWaalsContact O-N 3.16Å; F341-V410 WeakPolarHBondContact CA-O 3.3Å |
| 342 | A | 84.2 | Confident | 81 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I332 N333 M334 V410 L412 | I332-A342 HydrophobicContact CG2-CB 4.43Å; N333-A342 CarbonylContact O-C 3.56Å; N333-A342 WeakPolarHBondContact O-CA 3.44Å; M334-A342 HydrophobicContact SD-CB 3.95Å; A342-V410 PolarHBondContact N-O 3.43Å; A342-V410 PolarHBondContact O-N 2.89Å; A342-L412 HydrophobicContact CB-CD1 3.96Å; A342-L412 HydrophobicContact CB-CG 4.35Å |
| 343 | Q | 88.2 | Confident | 80.6 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.6 | 170.7 | 173.7 | 172.3 | 92.6 | 0 | 0 | 109.1 | I332 N333 L335 A407 L408 N409 | I332-Q343 WeakPolarHBondContact CA-O 3.5Å; N333-Q343 HydrophobicContact CB-CB 4.36Å; N333-Q343 PolarHBondContact N-O 3.19Å; N333-Q343 PolarHBondContact O-N 3.07Å; L335-Q343 HydrophobicContact CD1-CB 4.2Å; L335-Q343 HydrophobicContact CD2-CB 4.03Å; L335-Q343 HydrophobicContact CG-CB 4.12Å; Q343-A407 HydrophobicContact CG-CB 4.04Å; Q343-L408 CarbonylContact C-O 3.58Å; Q343-L408 WeakPolarHBondContact CA-O 3.27Å; Q343-N409 PolarHBondContact NE2-OD1 3.48Å |
| 344 | L | 89.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 112.3 | 173.3 | -53 | -179.9 | 0 | 0 | 0 | 108.8 | I332 W358 A407 L408 V410 F420 V480 | I332-L344 HydrophobicContact CB-CD2 4.46Å; I332-L344 HydrophobicContact CD1-CD2 4.05Å; I332-L344 HydrophobicContact CG1-CD2 3.84Å; I332-L344 HydrophobicContact CG2-CD2 4.08Å; L344-W358 HydrophobicContact CB-CH2 3.79Å; L344-W358 HydrophobicContact CB-CZ2 3.52Å; L344-W358 HydrophobicContact CD1-CH2 4.21Å; L344-W358 HydrophobicContact CD1-CZ3 4.44Å; L344-W358 WeakPolarHBondContact O-CZ2 3.08Å; L344-W358 PolarHBondContact O-NE1 3.11Å; L344-A407 CarbonylContact O-C 3.53Å; L344-A407 WeakPolarHBondContact O-CA 3.46Å; L344-L408 PolarHBondContact N-O 2.78Å; L344-L408 PolarHBondContact O-N 2.94Å; L344-V410 HydrophobicContact CD1-CG2 3.8Å; L344-V410 HydrophobicContact CG-CG2 4.08Å; L344-F420 HydrophobicContact CD1-CB 3.8Å; L344-F420 HydrophobicContact CD1-CD1 4.42Å; L344-F420 HydrophobicContact CD1-CD2 4.08Å; L344-F420 HydrophobicContact CD1-CG 3.83Å; L344-V480 HydrophobicContact CD1-CG2 4.1Å; L344-V480 HydrophobicContact CD2-CG2 4.39Å |
| 345 | T | 92 | Very high | 80.6 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 105.3 | 177.2 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | I330 E331 K405 L406 A407 | I330-T345 CarbonylContact C-O 3.6Å; I330-T345 WeakPolarHBondContact CA-O 3.36Å; E331-T345 PolarHBondContact N-O 3.01Å; E331-T345 PolarHBondContact O-N 3.22Å; T345-K405 HydrophobicContact CG2-CB 4.15Å; T345-K405 HydrophobicContact CG2-CD 4.23Å; T345-L406 WeakPolarHBondContact CA-O 3.44Å; T345-A407 WeakPolarHBondContact OG1-CB 3.34Å |
| 346 | C | 92.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 140.5 | 173.7 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | W358 K405 L406 C422 | C346-W358 HydrophobicContact CB-CH2 4.24Å; C346-W358 HydrophobicContact CB-CZ2 3.59Å; C346-K405 CarbonylContact O-C 3.14Å; C346-K405 VanDerWaalsContact O-CA 3.3Å; C346-K405 WeakPolarHBondContact O-CA 3.35Å; C346-L406 PolarHBondContact N-O 2.87Å; C346-L406 PolarHBondContact O-N 3.28Å; C346-C422 HydrophobicContact CB-CB 3.71Å; C346-C422 WeakPolarHBondContact CB-SG 3.42Å; C346-C422 WeakPolarHBondContact SG-CB 3.44Å; C346-C422 CovalentContact SG-SG 2.02Å; C346-C422 PolarHBondContact SG-SG 2.8Å |
| 347 | I | 92.4 | Very high | 82 | Confident | 16 Ų | 16 | 29.1 Ų | 29.1 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.3 | -179.3 | -47.8 | 173.7 | 0 | 0 | 0 | 108.7 | I327 T328 G329 E331 E403 R404 K405 | I327-I347 CarbonylContact C-O 3.6Å; I327-I347 WeakPolarHBondContact CA-O 3.3Å; T328-I347 PolarHBondContact N-O 3.47Å; G329-I347 PolarHBondContact N-O 3.14Å; G329-I347 WeakPolarHBondContact O-CB 3.31Å; G329-I347 PolarHBondContact O-N 3.29Å; E331-I347 HydrophobicContact CG-CD1 3.92Å; E331-I347 WeakPolarHBondContact OE1-CD1 3.38Å; I347-E403 HydrophobicContact CG2-CG 3.74Å; I347-R404 WeakPolarHBondContact CA-O 3.29Å; I347-K405 HydrophobicContact CB-CG 4.43Å; I347-K405 HydrophobicContact CD1-CD 4.45Å; I347-K405 HydrophobicContact CG1-CD 4.08Å; I347-K405 HydrophobicContact CG1-CG 4.07Å; I347-K405 HydrophobicContact CG2-CG 4.12Å |
| 348 | G | 89.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 148.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S326 E403 R404 I424 | S326-G348 CarbonylContact O-C 3.57Å; S326-G348 WeakPolarHBondContact O-CA 3.33Å; G348-E403 CarbonylContact O-C 3.6Å; G348-E403 VanDerWaalsContact O-CA 3.3Å; G348-E403 WeakPolarHBondContact O-CA 3.16Å; G348-R404 PolarHBondContact N-O 3Å; G348-R404 PolarHBondContact O-N 3.16Å; G348-I424 VanDerWaalsContact CA-CD1 3.4Å |
| 349 | K | 89.1 | Confident | 84.2 | Confident | 65 Ų | 65 | 20.6 Ų | 20.6 | 28% | 0.283 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.8 | 172.1 | -59.9 | -167.4 | -165.8 | -154.1 | 0 | 110.8 | P325 S326 T328 M401 I402 E403 | P325-K349 CarbonylContact C-O 3.56Å; P325-K349 WeakPolarHBondContact CA-O 3.19Å; S326-K349 PolarHBondContact N-O 2.76Å; S326-K349 PolarHBondContact O-N 3Å; T328-K349 HydrophobicContact CG2-CB 3.96Å; T328-K349 HydrophobicContact CG2-CD 3.81Å; T328-K349 HydrophobicContact CG2-CG 3.66Å; T328-K349 WeakPolarHBondContact OG1-CE 3.22Å; K349-M401 HydrophobicContact CB-CB 4.3Å; K349-I402 VanDerWaalsContact CA-O 3.31Å; K349-I402 WeakPolarHBondContact CA-O 3.38Å; K349-E403 WeakPolarHBondContact CE-OE2 3.4Å; K349-E403 HydrophobicContact CG-CB 4.18Å; K349-E403 HydrophobicContact CG-CG 4.16Å; K349-E403 IonicContact NZ-OE2 2.66Å; K349-E403 PolarHBondContact NZ-OE2 3.48Å |
| 350 | G | 82.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 165.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P352 I402 | G350-P352 CarbonylContact C-O 3.57Å; G350-P352 VanDerWaalsContact C-O 3.31Å; G350-I402 PolarHBondContact N-O 2.91Å; G350-I402 VanDerWaalsContact N-O 3.09Å; G350-I402 PolarHBondContact O-N 2.8Å; G350-I402 VanDerWaalsContact O-N 3.12Å |
| 351 | R | 74.2 | Confident | 85.4 | Confident | 57 Ų | 57 | 25 Ų | 25 | 22% | 0.215 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -144.7 | 127.4 | 172 | -62.4 | 176.2 | 124.2 | -126 | -4.5 | 108.3 | P323 G398 D399 K400 M401 N426 | P323-R351 HydrophobicContact CG-CB 3.79Å; P323-R351 HydrophobicContact CG-CG 4.44Å; R351-G398 VanDerWaalsContact NH1-C 3.29Å; R351-G398 PolarHBondContact NH1-O 3.17Å; R351-D399 PolarHBondContact NE-O 3.31Å; R351-K400 VanDerWaalsContact CZ-O 3.3Å; R351-K400 PolarHBondContact NE-O 3.01Å; R351-K400 PolarHBondContact NH2-O 3.15Å; R351-M401 HydrophobicContact CB-SD 4.43Å; R351-M401 HydrophobicContact CG-SD 3.69Å; R351-N426 PolarHBondContact O-ND2 3.09Å; R351-N426 VanDerWaalsContact O-ND2 3.09Å |
| 352 | P | 73.5 | Confident | 85.1 | Confident | 19 Ų | 19 | 25.1 Ų | 25.1 | 12% | 0.123 | 12% | 0.119 | C | C | . | . | S | Bend | cis | -54.5 | 179.1 | -11.6 | 29.8 | -42.2 | 0 | 0 | 0 | 113.1 | Q248 C322 G350 P354 | Q248-P352 VanDerWaalsContact CD-CB 3.41Å; Q248-P352 HydrophobicContact CG-CB 3.85Å; Q248-P352 HydrophobicContact CG-CG 3.66Å; C322-P352 WeakPolarHBondContact SG-CD 2.99Å; G350-P352 CarbonylContact C-O 3.57Å; G350-P352 VanDerWaalsContact C-O 3.31Å; P352-P354 VanDerWaalsContact O-CD 3.3Å; P352-P354 WeakPolarHBondContact O-CD 3.45Å |
| 353 | T | 78 | Confident | 84.6 | Confident | 49 Ų | 49 | 34.1 Ų | 34.1 | 30% | 0.301 | 16% | 0.161 | S | C | . | . | trans | -53.2 | 115.4 | -178.1 | -52.6 | 0 | 0 | 0 | 0 | 110.7 | P373 I402 R404 | T353-P373 HydrophobicContact CG2-CB 4.16Å; T353-I402 HydrophobicContact CG2-CG2 4.09Å; T353-I402 VanDerWaalsContact OG1-CD1 3.25Å; T353-I402 WeakPolarHBondContact OG1-CD1 3.22Å; T353-R404 VanDerWaalsContact CG2-NH2 3.33Å | ||
| 354 | P | 81.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -79.2 | 154.1 | -170.8 | 31.3 | -36.1 | 0 | 0 | 0 | 112.2 | P325 P352 R404 I424 | P325-P354 HydrophobicContact CB-CB 4.07Å; P352-P354 VanDerWaalsContact O-CD 3.3Å; P352-P354 WeakPolarHBondContact O-CD 3.45Å; P354-R404 HydrophobicContact CG-CG 4.3Å; P354-I424 HydrophobicContact CB-CD1 3.87Å; P354-I424 HydrophobicContact CB-CG1 3.69Å; P354-I424 HydrophobicContact CG-CD1 3.77Å; P354-I424 HydrophobicContact CG-CG1 4.1Å | ||
| 355 | S | 84 | Confident | 82.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 143.8 | 160.7 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | P373 I424 W425 | S355-P373 WeakPolarHBondContact OG-CD 3.3Å; S355-I424 WeakPolarHBondContact O-CA 3.44Å; S355-I424 WeakPolarHBondContact O-CG1 3.01Å; S355-W425 VanDerWaalsContact CB-CZ2 3.44Å; S355-W425 PolarHBondContact N-O 2.86Å; S355-W425 PolarHBondContact O-N 2.89Å |
| 356 | L | 88 | Confident | 82.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 131.9 | 177.9 | -171 | 70.5 | 0 | 0 | 0 | 109.3 | L371 R404 L406 T423 I424 | L356-L371 PolarHBondContact N-O 3.05Å; L356-L371 VanDerWaalsContact N-O 3.1Å; L356-L371 WeakPolarHBondContact O-CA 3.23Å; L356-L371 WeakPolarHBondContact O-CB 3.43Å; L356-L371 PolarHBondContact O-N 2.86Å; L356-R404 HydrophobicContact CB-CB 4.48Å; L356-R404 HydrophobicContact CD2-CB 4.08Å; L356-L406 HydrophobicContact CD2-CB 3.72Å; L356-L406 HydrophobicContact CG-CB 4.2Å; L356-T423 CarbonylContact C-O 3.55Å; L356-T423 WeakPolarHBondContact CA-O 3.4Å; L356-I424 HydrophobicContact CD1-CB 3.83Å; L356-I424 HydrophobicContact CD1-CD1 4.37Å; L356-I424 HydrophobicContact CD1-CG1 3.92Å |
| 357 | A | 89.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q369 I370 C422 T423 W425 V458 | A357-Q369 CarbonylContact C-O 3.51Å; A357-Q369 WeakPolarHBondContact CA-O 3.01Å; A357-Q369 VanDerWaalsContact CB-O 3.29Å; A357-Q369 WeakPolarHBondContact CB-O 3.39Å; A357-I370 HydrophobicContact CB-CB 4.29Å; A357-I370 HydrophobicContact CB-CG1 3.95Å; A357-I370 HydrophobicContact CB-CG2 4.39Å; A357-C422 CarbonylContact O-C 3.54Å; A357-C422 WeakPolarHBondContact O-CA 3.09Å; A357-T423 PolarHBondContact N-O 2.84Å; A357-T423 PolarHBondContact O-N 3.41Å; A357-T423 PolarHBondContact O-OG1 3.5Å; A357-W425 HydrophobicContact CB-CH2 3.79Å; A357-W425 HydrophobicContact CB-CZ3 3.64Å; A357-V458 HydrophobicContact CB-CG1 4.14Å; A357-V458 HydrophobicContact CB-CG2 3.54Å |
| 358 | W | 88.8 | Confident | 81 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 136.7 | 161.2 | -74.6 | 109.5 | 0 | 0 | 0 | 109.7 | I330 L344 C346 Q368 Q369 L406 L408 F420 C422 V478 | I330-W358 HydrophobicContact CD1-CH2 4.16Å; I330-W358 HydrophobicContact CG2-CH2 3.96Å; I330-W358 HydrophobicContact CG2-CZ2 4.26Å; L344-W358 HydrophobicContact CB-CH2 3.79Å; L344-W358 HydrophobicContact CB-CZ2 3.52Å; L344-W358 HydrophobicContact CD1-CH2 4.21Å; L344-W358 HydrophobicContact CD1-CZ3 4.44Å; L344-W358 WeakPolarHBondContact O-CZ2 3.08Å; L344-W358 PolarHBondContact O-NE1 3.11Å; C346-W358 HydrophobicContact CB-CH2 4.24Å; C346-W358 HydrophobicContact CB-CZ2 3.59Å; W358-Q368 WeakPolarHBondContact O-CA 2.99Å; W358-Q369 PolarHBondContact N-O 3.37Å; W358-Q369 PolarHBondContact O-N 2.82Å; W358-L406 PolarHBondContact NE1-O 3.41Å; W358-L408 HydrophobicContact CB-CD2 4.04Å; W358-L408 HydrophobicContact CD2-CB 4.38Å; W358-L408 HydrophobicContact CD2-CD2 4.26Å; W358-L408 HydrophobicContact CG-CB 3.96Å; W358-L408 HydrophobicContact CG-CD2 4.01Å; W358-F420 HydrophobicContact CE3-CB 4.09Å; W358-F420 HydrophobicContact CZ3-CB 3.94Å; W358-C422 HydrophobicContact CD2-CB 4.29Å; W358-C422 HydrophobicContact CE3-CB 3.88Å; W358-C422 HydrophobicContact CH2-CB 4.12Å; W358-C422 HydrophobicContact CZ3-CB 3.79Å; W358-V478 HydrophobicContact CH2-CG2 4.08Å; W358-V478 HydrophobicContact CZ3-CG2 4.19Å |
| 359 | T | 87.2 | Confident | 80.6 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.1 | 168.5 | 73.8 | 0 | 0 | 0 | 0 | 110.1 | V367 Q368 T421 V458 T460 | T359-V367 WeakPolarHBondContact CA-O 3.45Å; T359-Q368 HydrophobicContact CG2-CB 4.45Å; T359-Q368 HydrophobicContact CG2-CG 3.93Å; T359-T421 PolarHBondContact N-O 2.99Å; T359-T421 PolarHBondContact O-N 2.75Å; T359-V458 HydrophobicContact CG2-CB 3.92Å; T359-V458 HydrophobicContact CG2-CG1 3.71Å; T359-V458 HydrophobicContact CG2-CG2 3.92Å; T359-T460 HydrophobicContact CG2-CG2 4.26Å |
| 360 | Y | 85.5 | Confident | 80.1 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 172.9 | -177.3 | 61.2 | -73 | 0 | 0 | 0 | 110.1 | I362 K366 V367 L408 F420 | Y360-I362 HydrophobicContact CD2-CD1 4.45Å; Y360-I362 HydrophobicContact CD2-CG1 3.9Å; Y360-I362 HydrophobicContact CE2-CD1 3.67Å; Y360-I362 HydrophobicContact CE2-CG1 3.63Å; Y360-K366 WeakPolarHBondContact O-CA 3.37Å; Y360-V367 HydrophobicContact CD1-CB 4.24Å; Y360-V367 HydrophobicContact CD1-CG1 4.48Å; Y360-V367 HydrophobicContact CD2-CB 4.45Å; Y360-V367 HydrophobicContact CE1-CB 3.9Å; Y360-V367 HydrophobicContact CE1-CG1 3.68Å; Y360-V367 HydrophobicContact CE2-CB 4.17Å; Y360-V367 HydrophobicContact CE2-CG1 4.3Å; Y360-V367 HydrophobicContact CG-CB 4.5Å; Y360-V367 PolarHBondContact N-O 2.8Å; Y360-V367 PolarHBondContact O-N 2.95Å; Y360-L408 HydrophobicContact CD1-CD2 4.1Å; Y360-L408 HydrophobicContact CE1-CD1 4.04Å; Y360-L408 HydrophobicContact CE1-CD2 4.03Å; Y360-F420 HydrophobicContact CD1-CD1 4.27Å; Y360-F420 HydrophobicContact CD1-CE1 4.45Å; Y360-F420 HydrophobicContact CD2-CD1 4.04Å; Y360-F420 AromaticContact CD2-CE1 3.5Å; Y360-F420 HydrophobicContact CD2-CE1 3.5Å; Y360-F420 VanDerWaalsContact CD2-CE1 3.5Å; Y360-F420 HydrophobicContact CD2-CZ 4.43Å; Y360-F420 HydrophobicContact CE2-CE1 4.09Å; Y360-F420 AromaticContact CG-CD1 3.73Å; Y360-F420 HydrophobicContact CG-CD1 3.73Å; Y360-F420 AromaticContact CG-CE1 3.71Å; Y360-F420 HydrophobicContact CG-CE1 3.71Å |
| 361 | K | 81.8 | Confident | 79.8 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 111.9 | -175.8 | -66 | 179.5 | -175.6 | 173.3 | 0 | 111.4 | Q365 | K361-Q365 CarbonylContact C-O 3.44Å; K361-Q365 VanDerWaalsContact CA-O 3.29Å; K361-Q365 WeakPolarHBondContact CA-O 3.49Å |
| 362 | I | 74.5 | Confident | 79.3 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123 | 172 | -47.4 | -179.5 | 0 | 0 | 0 | 108.1 | Y360 G364 Q365 V367 | Y360-I362 HydrophobicContact CD2-CD1 4.45Å; Y360-I362 HydrophobicContact CD2-CG1 3.9Å; Y360-I362 HydrophobicContact CE2-CD1 3.67Å; Y360-I362 HydrophobicContact CE2-CG1 3.63Å; I362-G364 PolarHBondContact O-N 2.65Å; I362-Q365 PolarHBondContact N-O 2.93Å; I362-Q365 WeakPolarHBondContact O-CB 3.31Å; I362-Q365 PolarHBondContact O-N 2.95Å; I362-V367 HydrophobicContact CB-CG2 4.33Å; I362-V367 HydrophobicContact CD1-CG2 3.82Å; I362-V367 HydrophobicContact CG1-CG2 3.82Å |
| 363 | H | 72.8 | Confident | 78.6 | Confident | 192 Ų | 192 | 54.6 Ų | 54.6 | 89% | 0.889 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 35.3 | -177.2 | -55.5 | 122.8 | 0 | 0 | 0 | 113.8 | Q365 | H363-Q365 VanDerWaalsContact C-N 3.29Å; H363-Q365 PolarHBondContact O-N 2.98Å |
| 364 | G | 70.8 | Confident | 77.3 | Confident | 65 Ų | 65 | 56 Ų | 56 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -17.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | I362 | I362-G364 PolarHBondContact O-N 2.65Š|
| 365 | Q | 72.7 | Confident | 75.3 | Confident | 148 Ų | 148 | 60.1 Ų | 60.1 | 69% | 0.692 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130.3 | 177.4 | -61.1 | -175.3 | -8 | 0 | 0 | 111.3 | K361 I362 H363 V367 | K361-Q365 CarbonylContact C-O 3.44Å; K361-Q365 VanDerWaalsContact CA-O 3.29Å; K361-Q365 WeakPolarHBondContact CA-O 3.49Å; I362-Q365 PolarHBondContact N-O 2.93Å; I362-Q365 WeakPolarHBondContact O-CB 3.31Å; I362-Q365 PolarHBondContact O-N 2.95Å; H363-Q365 VanDerWaalsContact C-N 3.29Å; H363-Q365 PolarHBondContact O-N 2.98Å; Q365-V367 PolarHBondContact O-N 3.3Å |
| 366 | K | 76.9 | Confident | 73 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 111.6 | 178.3 | -166.7 | -178.3 | -167.3 | 179.3 | 0 | 109.6 | Y360 Q368 T460 | Y360-K366 WeakPolarHBondContact O-CA 3.37Å; K366-Q368 HydrophobicContact CG-CG 4.41Å; K366-T460 PolarHBondContact NZ-OG1 2.93Å |
| 367 | V | 77.5 | Confident | 70.3 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141.6 | 174.5 | -176 | 0 | 0 | 0 | 0 | 109 | T359 Y360 I362 Q365 | T359-V367 WeakPolarHBondContact CA-O 3.45Å; Y360-V367 HydrophobicContact CD1-CB 4.24Å; Y360-V367 HydrophobicContact CD1-CG1 4.48Å; Y360-V367 HydrophobicContact CD2-CB 4.45Å; Y360-V367 HydrophobicContact CE1-CB 3.9Å; Y360-V367 HydrophobicContact CE1-CG1 3.68Å; Y360-V367 HydrophobicContact CE2-CB 4.17Å; Y360-V367 HydrophobicContact CE2-CG1 4.3Å; Y360-V367 HydrophobicContact CG-CB 4.5Å; Y360-V367 PolarHBondContact N-O 2.8Å; Y360-V367 PolarHBondContact O-N 2.95Å; I362-V367 HydrophobicContact CB-CG2 4.33Å; I362-V367 HydrophobicContact CD1-CG2 3.82Å; I362-V367 HydrophobicContact CG1-CG2 3.82Å; Q365-V367 PolarHBondContact O-N 3.3Å |
| 368 | Q | 81.5 | Confident | 67.3 | Low | 68 Ų | 68 | 81.5 Ų | 81.5 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133.6 | -175.6 | -53.7 | -168.8 | -47.4 | 0 | 0 | 110.5 | W358 T359 K366 I370 V458 | W358-Q368 WeakPolarHBondContact O-CA 2.99Å; T359-Q368 HydrophobicContact CG2-CB 4.45Å; T359-Q368 HydrophobicContact CG2-CG 3.93Å; K366-Q368 HydrophobicContact CG-CG 4.41Å; Q368-I370 HydrophobicContact CB-CG1 4.46Å; Q368-V458 HydrophobicContact CB-CG2 4.24Å; Q368-V458 HydrophobicContact CG-CG2 4.37Å |
| 369 | Q | 81.8 | Confident | 64.3 | Low | 69 Ų | 69 | 87.2 Ų | 87.2 | 32% | 0.322 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 118.9 | 171.3 | -176.5 | -171.2 | -8.5 | 0 | 0 | 107.3 | A357 W358 L406 A407 L408 | A357-Q369 CarbonylContact C-O 3.51Å; A357-Q369 WeakPolarHBondContact CA-O 3.01Å; A357-Q369 VanDerWaalsContact CB-O 3.29Å; A357-Q369 WeakPolarHBondContact CB-O 3.39Å; W358-Q369 PolarHBondContact N-O 3.37Å; W358-Q369 PolarHBondContact O-N 2.82Å; Q369-L406 HydrophobicContact CG-CD1 4.32Å; Q369-L406 WeakPolarHBondContact O-CD2 3.48Å; Q369-A407 PolarHBondContact NE2-O 2.97Å; Q369-A407 PolarHBondContact OE1-O 3.2Å; Q369-L408 VanDerWaalsContact OE1-CD1 3.31Å |
| 370 | I | 78.1 | Confident | 61.5 | Low | 49 Ų | 49 | 94.4 Ų | 94.4 | 25% | 0.251 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137 | -168.1 | -52.7 | 178.4 | 0 | 0 | 0 | 110.7 | A357 Q368 D372 W425 V458 | A357-I370 HydrophobicContact CB-CB 4.29Å; A357-I370 HydrophobicContact CB-CG1 3.95Å; A357-I370 HydrophobicContact CB-CG2 4.39Å; Q368-I370 HydrophobicContact CB-CG1 4.46Å; I370-D372 HydrophobicContact CG2-CB 4.3Å; I370-W425 HydrophobicContact CG2-CH2 4.12Å; I370-V458 HydrophobicContact CD1-CG2 3.64Å; I370-V458 HydrophobicContact CG1-CG2 3.71Å |
| 371 | L | 76.4 | Confident | 58.8 | Low | 53 Ų | 53 | 99.6 Ų | 99.6 | 28% | 0.277 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 87.3 | 169.6 | -176.7 | 70.2 | 0 | 0 | 0 | 109 | L356 R404 K405 L406 | L356-L371 PolarHBondContact N-O 3.05Å; L356-L371 VanDerWaalsContact N-O 3.1Å; L356-L371 WeakPolarHBondContact O-CA 3.23Å; L356-L371 WeakPolarHBondContact O-CB 3.43Å; L356-L371 PolarHBondContact O-N 2.86Å; L371-R404 HydrophobicContact CD2-CB 4.45Å; L371-K405 WeakPolarHBondContact CD2-O 3.17Å; L371-L406 HydrophobicContact CB-CD1 4.17Å; L371-L406 HydrophobicContact CB-CD2 4.22Å; L371-L406 HydrophobicContact CD2-CB 4.47Å |
| 372 | D | 64.3 | Low | 56.1 | Low | 10 Ų | 10 | 102.4 Ų | 102.4 | 5% | 0.053 | 56% | 0.559 | C | S | . | * | trans | -83.2 | 139.6 | -179.7 | 176.5 | 13.2 | 0 | 0 | 0 | 110.8 | I370 S374 V375 S455 | I370-D372 HydrophobicContact CG2-CB 4.3Å; D372-S374 VanDerWaalsContact CG-N 3.3Å; D372-S374 PolarHBondContact O-N 3.25Å; D372-S374 VanDerWaalsContact OD1-CB 3.31Å; D372-S374 WeakPolarHBondContact OD1-CB 3.32Å; D372-S374 PolarHBondContact OD1-N 3.37Å; D372-S374 PolarHBondContact OD1-OG 3.33Å; D372-S374 VanDerWaalsContact OD2-CB 3.22Å; D372-S374 WeakPolarHBondContact OD2-CB 3.35Å; D372-S374 PolarHBondContact OD2-OG 2.84Å; D372-V375 HydrophobicContact CB-CB 4.35Å; D372-V375 HydrophobicContact CB-CG2 4.12Å; D372-S455 WeakPolarHBondContact OD2-CB 3.43Å; D372-S455 PolarHBondContact OD2-OG 3.05Å | ||
| 373 | P | 58.6 | Low | 53.8 | Low | 49 Ų | 49 | 108.5 Ų | 108.5 | 32% | 0.318 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -61.4 | -26.7 | 165.6 | 26.6 | -37.5 | 0 | 0 | 0 | 114.5 | T353 S355 | T353-P373 HydrophobicContact CG2-CB 4.16Å; S355-P373 WeakPolarHBondContact OG-CD 3.3Å |
| 374 | S | 50.7 | Low | 51.7 | Low | 78 Ų | 78 | 109.6 Ų | 109.6 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -79.3 | -31.1 | -175 | -28.8 | 0 | 0 | 0 | 0 | 112.7 | D372 K376 | D372-S374 VanDerWaalsContact CG-N 3.3Å; D372-S374 PolarHBondContact O-N 3.25Å; D372-S374 VanDerWaalsContact OD1-CB 3.31Å; D372-S374 WeakPolarHBondContact OD1-CB 3.32Å; D372-S374 PolarHBondContact OD1-N 3.37Å; D372-S374 PolarHBondContact OD1-OG 3.33Å; D372-S374 VanDerWaalsContact OD2-CB 3.22Å; D372-S374 WeakPolarHBondContact OD2-CB 3.35Å; D372-S374 PolarHBondContact OD2-OG 2.84Å; S374-K376 PolarHBondContact O-N 3Å; S374-K376 VanDerWaalsContact O-N 3.07Å |
| 375 | V | 40.4 | Very low | 49.5 | Very low | 88 Ų | 88 | 114.1 Ų | 114.1 | 53% | 0.533 | 59% | 0.587 | S | S | . | * | trans | -80.4 | 90.1 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | D372 | D372-V375 HydrophobicContact CB-CB 4.35Å; D372-V375 HydrophobicContact CB-CG2 4.12Å | ||
| 376 | K | 35.6 | Very low | 47.3 | Very low | 191 Ų | 191 | 115.5 Ų | 115.5 | 83% | 0.83 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 136.7 | 145.4 | -70.4 | 178.2 | -179.3 | 172.5 | 0 | 107.3 | S374 G378 | S374-K376 PolarHBondContact O-N 3Å; S374-K376 VanDerWaalsContact O-N 3.07Å; K376-G378 PolarHBondContact O-N 3.07Å |
| 377 | Q | 30.2 | Very low | 45 | Very low | 190 Ų | 190 | 116.1 Ų | 116.1 | 89% | 0.888 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 128.7 | -177.1 | -71.8 | 171.1 | -87 | 0 | 0 | 110.8 | S379 | Q377-S379 PolarHBondContact O-N 2.8Š|
| 378 | G | 27.1 | Very low | 42.5 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K376 N380 | K376-G378 PolarHBondContact O-N 3.07Å; G378-N380 VanDerWaalsContact C-N 3.31Å; G378-N380 PolarHBondContact O-N 3.31Å |
| 379 | S | 27 | Very low | 40 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 84% | 0.839 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -70.8 | 81.6 | -175 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | Q377 | Q377-S379 PolarHBondContact O-N 2.8Š|
| 380 | N | 27.2 | Very low | 37.4 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 86% | 0.856 | 68% | 0.681 | S | S | * | * | trans | -131.7 | 27.3 | 175.4 | -112 | 12 | 0 | 0 | 0 | 112.5 | G378 | G378-N380 VanDerWaalsContact C-N 3.31Å; G378-N380 PolarHBondContact O-N 3.31Å | ||
| 381 | D | 28.7 | Very low | 34.9 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | trans | -122.4 | 108.8 | 165.1 | -93.2 | -53 | 0 | 0 | 0 | 109 | Y383 | D381-Y383 PolarHBondContact O-N 2.69Å; D381-Y383 VanDerWaalsContact O-N 3.07Å | ||
| 382 | Q | 25.9 | Very low | 32.5 | Very low | 190 Ų | 190 | 136 Ų | 136 | 89% | 0.888 | 72% | 0.723 | S | S | * | * | trans | -83.7 | 25.5 | -170.6 | -153.6 | 172.2 | 6.6 | 0 | 0 | 113.5 | ||||
| 383 | Y | 25.5 | Very low | 30.9 | Very low | 201 Ų | 201 | 143 Ų | 143 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -143.7 | 92.1 | -174.7 | -68.7 | -78.2 | 0 | 0 | 0 | 112.6 | D381 | D381-Y383 PolarHBondContact O-N 2.69Å; D381-Y383 VanDerWaalsContact O-N 3.07Å | ||
| 384 | F | 29.1 | Very low | 29.4 | Very low | 214 Ų | 214 | 146.7 Ų | 146.7 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -159.2 | 89.7 | 141 | -107.6 | -64.7 | 0 | 0 | 0 | 111.6 | ||||
| 385 | M | 25.6 | Very low | 28.6 | Very low | 160 Ų | 160 | 150 Ų | 150 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | trans | -75.8 | 140.8 | 164.2 | -94.5 | -73.9 | -180 | 0 | 0 | 110.4 | ||||
| 386 | H | 26.3 | Very low | 28.4 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | trans | 53.4 | 96.5 | 165.7 | -64.3 | -30.2 | 0 | 0 | 0 | 119 | ||||
| 387 | S | 27.7 | Very low | 28.5 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -132.1 | 116.2 | 134.7 | 59.1 | 0 | 0 | 0 | 0 | 110.7 | S389 | S387-S389 PolarHBondContact O-N 2.82Š| ||
| 388 | K | 24.5 | Very low | 29.4 | Very low | 224 Ų | 224 | 137.7 Ų | 137.7 | 97% | 0.974 | 75% | 0.746 | S | S | * | * | trans | -83 | 86.2 | 168.5 | -83.5 | -173.8 | 176 | 179.1 | 0 | 108.8 | ||||
| 389 | S | 29.8 | Very low | 30.8 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | -132.3 | 121.5 | 168.8 | 52.1 | 0 | 0 | 0 | 0 | 109.3 | S387 | S387-S389 PolarHBondContact O-N 2.82Š| ||
| 390 | Q | 26.6 | Very low | 32.7 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | -58.5 | 133.6 | 177.3 | -65.2 | 161.7 | -83.6 | 0 | 0 | 109.7 | S392 | Q390-S392 PolarHBondContact O-N 3.44Š| ||
| 391 | P | 26.4 | Very low | 35 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | trans | -68.6 | 87.8 | 152.2 | 30.6 | -30 | 0 | 0 | 0 | 106.5 | L393 | P391-L393 PolarHBondContact O-N 2.95Š| ||
| 392 | S | 26 | Very low | 37.5 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | trans | -64.1 | 84.1 | 158.7 | 56.4 | 0 | 0 | 0 | 0 | 106.4 | Q390 N394 | Q390-S392 PolarHBondContact O-N 3.44Å; S392-N394 PolarHBondContact O-N 3.3Å | ||
| 393 | L | 30.5 | Very low | 40.5 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | trans | -65.9 | 87.1 | 174.8 | -170 | 80.3 | 0 | 0 | 0 | 106 | P391 I395 | P391-L393 PolarHBondContact O-N 2.95Å; L393-I395 PolarHBondContact O-N 2.89Å | ||
| 394 | N | 27.6 | Very low | 43.4 | Very low | 127 Ų | 127 | 122 Ų | 122 | 68% | 0.679 | 64% | 0.641 | S | S | * | * | trans | -55 | 112.2 | 177.7 | -81.8 | -26.8 | 0 | 0 | 0 | 106.5 | S392 L396 | S392-N394 PolarHBondContact O-N 3.3Å; N394-L396 PolarHBondContact O-N 3.27Å | ||
| 395 | I | 33.2 | Very low | 46.3 | Very low | 147 Ų | 147 | 116.1 Ų | 116.1 | 75% | 0.754 | 62% | 0.615 | S | S | * | * | trans | -66.2 | 85.9 | 175.4 | -59.8 | 174.6 | 0 | 0 | 0 | 105.4 | L393 | L393-I395 PolarHBondContact O-N 2.89Š| ||
| 396 | L | 35.8 | Very low | 49.4 | Very low | 90 Ų | 90 | 109.3 Ų | 109.3 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | trans | -65.9 | 127 | -172.3 | -147.2 | 71.2 | 0 | 0 | 0 | 106.3 | N394 G398 K400 | N394-L396 PolarHBondContact O-N 3.27Å; L396-G398 PolarHBondContact O-N 3.04Å; L396-K400 HydrophobicContact CD2-CB 3.77Å; L396-K400 HydrophobicContact CD2-CD 4.29Å; L396-K400 HydrophobicContact CG-CB 4.18Å; L396-K400 HydrophobicContact CG-CD 4.12Å | ||
| 397 | P | 38.7 | Very low | 52.4 | Low | 83 Ų | 83 | 102.6 Ų | 102.6 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | trans | -53.8 | 137.6 | -176.6 | 20.9 | -33 | 0 | 0 | 0 | 109.5 | D399 K400 | P397-D399 PolarHBondContact O-N 2.65Å; P397-K400 HydrophobicContact CG-CD 4.35Å; P397-K400 PolarHBondContact O-N 3.11Å | ||
| 398 | G | 48.2 | Very low | 55.3 | Low | 37 Ų | 37 | 98.1 Ų | 98.1 | 38% | 0.381 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 20.9 | -155.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | R351 L396 | R351-G398 VanDerWaalsContact NH1-C 3.29Å; R351-G398 PolarHBondContact NH1-O 3.17Å; L396-G398 PolarHBondContact O-N 3.04Å |
| 399 | D | 55.7 | Low | 58.3 | Low | 143 Ų | 143 | 92.1 Ų | 92.1 | 77% | 0.765 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | -22.2 | -179.4 | -117.7 | -23.7 | 0 | 0 | 0 | 114.6 | R351 P397 M401 | R351-D399 PolarHBondContact NE-O 3.31Å; P397-D399 PolarHBondContact O-N 2.65Å; D399-M401 PolarHBondContact O-N 3.1Å; D399-M401 VanDerWaalsContact O-N 3.1Å |
| 400 | K | 67.1 | Low | 60.9 | Low | 128 Ų | 128 | 88.3 Ų | 88.3 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | trans | -65.8 | 113.3 | -176.3 | -73.3 | -171.6 | 175.5 | -175.9 | 0 | 112.5 | R351 L396 P397 | R351-K400 VanDerWaalsContact CZ-O 3.3Å; R351-K400 PolarHBondContact NE-O 3.01Å; R351-K400 PolarHBondContact NH2-O 3.15Å; L396-K400 HydrophobicContact CD2-CB 3.77Å; L396-K400 HydrophobicContact CD2-CD 4.29Å; L396-K400 HydrophobicContact CG-CB 4.18Å; L396-K400 HydrophobicContact CG-CD 4.12Å; P397-K400 HydrophobicContact CG-CD 4.35Å; P397-K400 PolarHBondContact O-N 3.11Å | ||
| 401 | M | 76.5 | Confident | 63.4 | Low | 83 Ų | 83 | 81.8 Ų | 81.8 | 41% | 0.409 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 143.9 | 171.8 | -76.4 | -78 | -158.4 | 0 | 0 | 112.3 | P323 K349 R351 D399 | P323-M401 HydrophobicContact CB-CE 3.75Å; P323-M401 HydrophobicContact CG-CE 3.77Å; P323-M401 HydrophobicContact CG-SD 4.2Å; K349-M401 HydrophobicContact CB-CB 4.3Å; R351-M401 HydrophobicContact CB-SD 4.43Å; R351-M401 HydrophobicContact CG-SD 3.69Å; D399-M401 PolarHBondContact O-N 3.1Å; D399-M401 VanDerWaalsContact O-N 3.1Å |
| 402 | I | 81.5 | Confident | 65.8 | Low | 61 Ų | 61 | 76.9 Ų | 76.9 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.6 | -179.8 | -57.5 | 174.2 | 0 | 0 | 0 | 109.1 | K349 G350 T353 | K349-I402 VanDerWaalsContact CA-O 3.31Å; K349-I402 WeakPolarHBondContact CA-O 3.38Å; G350-I402 PolarHBondContact N-O 2.91Å; G350-I402 VanDerWaalsContact N-O 3.09Å; G350-I402 PolarHBondContact O-N 2.8Å; G350-I402 VanDerWaalsContact O-N 3.12Å; T353-I402 HydrophobicContact CG2-CG2 4.09Å; T353-I402 VanDerWaalsContact OG1-CD1 3.25Å; T353-I402 WeakPolarHBondContact OG1-CD1 3.22Å |
| 403 | E | 87.9 | Confident | 67.9 | Low | 91 Ų | 91 | 77.1 Ų | 77.1 | 43% | 0.425 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 137.7 | 176.5 | -168.7 | 176.6 | 125.5 | 0 | 0 | 111.5 | I347 G348 K349 K405 | I347-E403 HydrophobicContact CG2-CG 3.74Å; G348-E403 CarbonylContact O-C 3.6Å; G348-E403 VanDerWaalsContact O-CA 3.3Å; G348-E403 WeakPolarHBondContact O-CA 3.16Å; K349-E403 WeakPolarHBondContact CE-OE2 3.4Å; K349-E403 HydrophobicContact CG-CB 4.18Å; K349-E403 HydrophobicContact CG-CG 4.16Å; K349-E403 IonicContact NZ-OE2 2.66Å; K349-E403 PolarHBondContact NZ-OE2 3.48Å; E403-K405 VanDerWaalsContact OE1-CE 3.24Å; E403-K405 WeakPolarHBondContact OE1-CE 3.37Å |
| 404 | R | 87.7 | Confident | 69.5 | Low | 59 Ų | 59 | 71.4 Ų | 71.4 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.6 | 171.7 | -75.4 | -70.5 | -171.8 | 130.6 | -7.6 | 108.7 | I347 G348 T353 P354 L356 L371 | I347-R404 WeakPolarHBondContact CA-O 3.29Å; G348-R404 PolarHBondContact N-O 3Å; G348-R404 PolarHBondContact O-N 3.16Å; T353-R404 VanDerWaalsContact CG2-NH2 3.33Å; P354-R404 HydrophobicContact CG-CG 4.3Å; L356-R404 HydrophobicContact CB-CB 4.48Å; L356-R404 HydrophobicContact CD2-CB 4.08Å; L371-R404 HydrophobicContact CD2-CB 4.45Å |
| 405 | K | 90 | Very high | 71 | Confident | 90 Ų | 90 | 70 Ų | 70 | 39% | 0.391 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.4 | 172.8 | -66.4 | -160.4 | 170.9 | -161.6 | 0 | 110.6 | E331 T345 C346 I347 L371 E403 | E331-K405 IonicContact OE1-NZ 3.65Å; E331-K405 PolarHBondContact OE1-NZ 3.36Å; E331-K405 IonicContact OE2-NZ 3.24Å; E331-K405 PolarHBondContact OE2-NZ 2.03Å; T345-K405 HydrophobicContact CG2-CB 4.15Å; T345-K405 HydrophobicContact CG2-CD 4.23Å; C346-K405 CarbonylContact O-C 3.14Å; C346-K405 VanDerWaalsContact O-CA 3.3Å; C346-K405 WeakPolarHBondContact O-CA 3.35Å; I347-K405 HydrophobicContact CB-CG 4.43Å; I347-K405 HydrophobicContact CD1-CD 4.45Å; I347-K405 HydrophobicContact CG1-CD 4.08Å; I347-K405 HydrophobicContact CG1-CG 4.07Å; I347-K405 HydrophobicContact CG2-CG 4.12Å; L371-K405 WeakPolarHBondContact CD2-O 3.17Å; E403-K405 VanDerWaalsContact OE1-CE 3.24Å; E403-K405 WeakPolarHBondContact OE1-CE 3.37Å |
| 406 | L | 90.6 | Very high | 72.7 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 118.6 | 175.5 | -179.9 | 61 | 0 | 0 | 0 | 111.2 | T345 C346 L356 W358 Q369 L371 | T345-L406 WeakPolarHBondContact CA-O 3.44Å; C346-L406 PolarHBondContact N-O 2.87Å; C346-L406 PolarHBondContact O-N 3.28Å; L356-L406 HydrophobicContact CD2-CB 3.72Å; L356-L406 HydrophobicContact CG-CB 4.2Å; W358-L406 PolarHBondContact NE1-O 3.41Å; Q369-L406 HydrophobicContact CG-CD1 4.32Å; Q369-L406 WeakPolarHBondContact O-CD2 3.48Å; L371-L406 HydrophobicContact CB-CD1 4.17Å; L371-L406 HydrophobicContact CB-CD2 4.22Å; L371-L406 HydrophobicContact CD2-CB 4.47Å |
| 407 | A | 89.5 | Confident | 74.1 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q343 L344 T345 Q369 | Q343-A407 HydrophobicContact CG-CB 4.04Å; L344-A407 CarbonylContact O-C 3.53Å; L344-A407 WeakPolarHBondContact O-CA 3.46Å; T345-A407 WeakPolarHBondContact OG1-CB 3.34Å; Q369-A407 PolarHBondContact NE2-O 2.97Å; Q369-A407 PolarHBondContact OE1-O 3.2Å |
| 408 | L | 87.9 | Confident | 75.9 | Confident | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.9 | 170.8 | 172 | 66.6 | 0 | 0 | 0 | 108.7 | Q343 L344 W358 Y360 Q369 V410 F420 | Q343-L408 CarbonylContact C-O 3.58Å; Q343-L408 WeakPolarHBondContact CA-O 3.27Å; L344-L408 PolarHBondContact N-O 2.78Å; L344-L408 PolarHBondContact O-N 2.94Å; W358-L408 HydrophobicContact CB-CD2 4.04Å; W358-L408 HydrophobicContact CD2-CB 4.38Å; W358-L408 HydrophobicContact CD2-CD2 4.26Å; W358-L408 HydrophobicContact CG-CB 3.96Å; W358-L408 HydrophobicContact CG-CD2 4.01Å; Y360-L408 HydrophobicContact CD1-CD2 4.1Å; Y360-L408 HydrophobicContact CE1-CD1 4.04Å; Y360-L408 HydrophobicContact CE1-CD2 4.03Å; Q369-L408 VanDerWaalsContact OE1-CD1 3.31Å; L408-V410 HydrophobicContact CD2-CG2 4.04Å; L408-V410 HydrophobicContact CG-CG2 3.98Å; L408-F420 HydrophobicContact CD2-CD1 3.54Å; L408-F420 HydrophobicContact CD2-CE1 4.01Å |
| 409 | N | 86.7 | Confident | 77.7 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.7 | 174 | -65.4 | -12.2 | 0 | 0 | 0 | 109.6 | L335 Q343 | L335-N409 HydrophobicContact CD1-CB 4.36Å; Q343-N409 PolarHBondContact NE2-OD1 3.48Å |
| 410 | V | 84 | Confident | 79.2 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143 | -175.1 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | F341 A342 L344 L408 F420 V480 | F341-V410 WeakPolarHBondContact CA-O 3.3Å; A342-V410 PolarHBondContact N-O 3.43Å; A342-V410 PolarHBondContact O-N 2.89Å; L344-V410 HydrophobicContact CD1-CG2 3.8Å; L344-V410 HydrophobicContact CG-CG2 4.08Å; L408-V410 HydrophobicContact CD2-CG2 4.04Å; L408-V410 HydrophobicContact CG-CG2 3.98Å; V410-F420 HydrophobicContact CB-CZ 4.28Å; V410-F420 HydrophobicContact CG1-CE1 4.22Å; V410-F420 HydrophobicContact CG1-CE2 3.69Å; V410-F420 HydrophobicContact CG1-CZ 3.47Å; V410-F420 VanDerWaalsContact CG1-CZ 3.47Å; V410-F420 HydrophobicContact CG2-CD1 4.02Å; V410-F420 HydrophobicContact CG2-CE1 3.64Å; V410-F420 HydrophobicContact CG2-CE2 4.2Å; V410-F420 HydrophobicContact CG2-CG 4.47Å; V410-F420 HydrophobicContact CG2-CZ 3.76Å; V410-V480 HydrophobicContact CG1-CG1 4.43Å |
| 411 | S | 81 | Confident | 80.2 | Confident | 42 Ų | 42 | 59 Ų | 59 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 141.9 | 169.7 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | D340 N413 | D340-S411 CarbonylContact O-C 3.52Å; D340-S411 WeakPolarHBondContact O-CA 3.36Å; D340-S411 PolarHBondContact O-OG 3.16Å; S411-N413 PolarHBondContact OG-N 2.9Å |
| 412 | L | 76.6 | Confident | 81 | Confident | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -100.5 | 16.1 | 178 | -62.5 | 176.9 | 0 | 0 | 0 | 112 | M334 A339 D340 A342 V480 G482 | M334-L412 HydrophobicContact CE-CD1 3.67Å; M334-L412 HydrophobicContact SD-CD1 4.16Å; A339-L412 WeakPolarHBondContact O-CB 3.37Å; A339-L412 VanDerWaalsContact O-CD1 3.26Å; A339-L412 WeakPolarHBondContact O-CD1 3.4Å; D340-L412 PolarHBondContact O-N 3.19Å; A342-L412 HydrophobicContact CB-CD1 3.96Å; A342-L412 HydrophobicContact CB-CG 4.35Å; L412-V480 HydrophobicContact CD2-CG1 3.22Å; L412-G482 WeakPolarHBondContact O-CA 3.43Å |
| 413 | N | 68.9 | Low | 81.3 | Confident | 93 Ų | 93 | 52.1 Ų | 52.1 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | trans | -85.1 | -9.5 | -179 | -72 | -8 | 0 | 0 | 0 | 113.8 | S411 | S411-N413 PolarHBondContact OG-N 2.9Š| ||
| 414 | S | 64.7 | Low | 81.3 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | trans | -82.3 | 132 | 171.4 | 42.9 | 0 | 0 | 0 | 0 | 111.3 | E418 G482 | S414-E418 WeakPolarHBondContact CB-OE1 3.25Å; S414-E418 PolarHBondContact OG-OE1 2.96Å; S414-G482 PolarHBondContact O-N 3.13Å | ||
| 415 | V | 59.1 | Low | 81 | Confident | 98 Ų | 98 | 45 Ų | 45 | 59% | 0.594 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -75.1 | -19.8 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | L484 | V415-L484 HydrophobicContact CG1-CD2 4.32Š|
| 416 | N | 67.9 | Low | 80.2 | Confident | 124 Ų | 124 | 40.8 Ų | 40.8 | 66% | 0.663 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -71.3 | 139.8 | 177.5 | -64.9 | -22.4 | 0 | 0 | 0 | 110.8 | E418 | N416-E418 PolarHBondContact O-N 3.31Š|
| 417 | I | 66.1 | Low | 78.8 | Confident | 118 Ų | 118 | 42.9 Ų | 42.9 | 61% | 0.605 | 24% | 0.241 | S | C | * | . | trans | -75.7 | 115.8 | 172.8 | -54.9 | 175.8 | 0 | 0 | 0 | 108.3 | R479 V480 | I417-R479 HydrophobicContact CG2-CB 4.11Å; I417-V480 WeakPolarHBondContact CA-O 3.33Å | ||
| 418 | E | 77.1 | Confident | 77 | Confident | 56 Ų | 56 | 42.9 Ų | 42.9 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.8 | 179 | -73.1 | 176.9 | -134.8 | 0 | 0 | 110.6 | S414 N416 F420 V480 | S414-E418 WeakPolarHBondContact CB-OE1 3.25Å; S414-E418 PolarHBondContact OG-OE1 2.96Å; N416-E418 PolarHBondContact O-N 3.31Å; E418-F420 HydrophobicContact CB-CD2 4.35Å; E418-F420 HydrophobicContact CB-CE2 3.5Å; E418-F420 VanDerWaalsContact CB-CE2 3.5Å; E418-F420 HydrophobicContact CB-CZ 3.93Å; E418-V480 PolarHBondContact N-O 2.96Å; E418-V480 PolarHBondContact O-N 3.11Å |
| 419 | N | 85 | Confident | 74.8 | Confident | 76 Ų | 76 | 43.9 Ų | 43.9 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.8 | 178.2 | -66.8 | -25.9 | 0 | 0 | 0 | 109.4 | T477 R479 | N419-T477 HydrophobicContact CB-CG2 4.05Å; N419-R479 WeakPolarHBondContact OD1-CD 3.48Å; N419-R479 VanDerWaalsContact OD1-CG 3.31Å; N419-R479 WeakPolarHBondContact OD1-CG 3.29Å; N419-R479 PolarHBondContact OD1-NE 2.03Å |
| 420 | F | 86.7 | Confident | 72.4 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 112.3 | 175.1 | -63.4 | -86.7 | 0 | 0 | 0 | 108.8 | L344 W358 Y360 L408 V410 E418 V478 V480 | L344-F420 HydrophobicContact CD1-CB 3.8Å; L344-F420 HydrophobicContact CD1-CD1 4.42Å; L344-F420 HydrophobicContact CD1-CD2 4.08Å; L344-F420 HydrophobicContact CD1-CG 3.83Å; W358-F420 HydrophobicContact CE3-CB 4.09Å; W358-F420 HydrophobicContact CZ3-CB 3.94Å; Y360-F420 HydrophobicContact CD1-CD1 4.27Å; Y360-F420 HydrophobicContact CD1-CE1 4.45Å; Y360-F420 HydrophobicContact CD2-CD1 4.04Å; Y360-F420 AromaticContact CD2-CE1 3.5Å; Y360-F420 HydrophobicContact CD2-CE1 3.5Å; Y360-F420 VanDerWaalsContact CD2-CE1 3.5Å; Y360-F420 HydrophobicContact CD2-CZ 4.43Å; Y360-F420 HydrophobicContact CE2-CE1 4.09Å; Y360-F420 AromaticContact CG-CD1 3.73Å; Y360-F420 HydrophobicContact CG-CD1 3.73Å; Y360-F420 AromaticContact CG-CE1 3.71Å; Y360-F420 HydrophobicContact CG-CE1 3.71Å; L408-F420 HydrophobicContact CD2-CD1 3.54Å; L408-F420 HydrophobicContact CD2-CE1 4.01Å; V410-F420 HydrophobicContact CB-CZ 4.28Å; V410-F420 HydrophobicContact CG1-CE1 4.22Å; V410-F420 HydrophobicContact CG1-CE2 3.69Å; V410-F420 HydrophobicContact CG1-CZ 3.47Å; V410-F420 VanDerWaalsContact CG1-CZ 3.47Å; V410-F420 HydrophobicContact CG2-CD1 4.02Å; V410-F420 HydrophobicContact CG2-CE1 3.64Å; V410-F420 HydrophobicContact CG2-CE2 4.2Å; V410-F420 HydrophobicContact CG2-CG 4.47Å; V410-F420 HydrophobicContact CG2-CZ 3.76Å; E418-F420 HydrophobicContact CB-CD2 4.35Å; E418-F420 HydrophobicContact CB-CE2 3.5Å; E418-F420 VanDerWaalsContact CB-CE2 3.5Å; E418-F420 HydrophobicContact CB-CZ 3.93Å; F420-V478 PolarHBondContact N-O 2.8Å; F420-V478 PolarHBondContact O-N 2.79Å; F420-V480 HydrophobicContact CD2-CB 4.02Å; F420-V480 HydrophobicContact CD2-CG2 3.78Å; F420-V480 HydrophobicContact CE2-CB 4Å; F420-V480 HydrophobicContact CE2-CG2 4.2Å |
| 421 | T | 89.7 | Confident | 70 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 112.4 | -172 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | T359 T423 E475 T477 | T359-T421 PolarHBondContact N-O 2.99Å; T359-T421 PolarHBondContact O-N 2.75Å; T421-T423 HydrophobicContact CG2-CG2 4.45Å; T421-E475 HydrophobicContact CG2-CG 3.32Å; T421-E475 VanDerWaalsContact CG2-OE1 3.27Å; T421-E475 WeakPolarHBondContact CG2-OE1 3.19Å; T421-T477 WeakPolarHBondContact CG2-OG1 3.45Å; T421-T477 WeakPolarHBondContact OG1-CG2 3.4Å; T421-T477 PolarHBondContact OG1-OG1 2.85Å |
| 422 | C | 91.9 | Very high | 67.7 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 137.7 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | I327 I330 C346 A357 W358 E475 V476 | I327-C422 HydrophobicContact CD1-CB 3.98Å; I327-C422 WeakPolarHBondContact CD1-O 3.19Å; I330-C422 HydrophobicContact CD1-CB 4.49Å; C346-C422 HydrophobicContact CB-CB 3.71Å; C346-C422 WeakPolarHBondContact CB-SG 3.42Å; C346-C422 WeakPolarHBondContact SG-CB 3.44Å; C346-C422 CovalentContact SG-SG 2.02Å; C346-C422 PolarHBondContact SG-SG 2.8Å; A357-C422 CarbonylContact O-C 3.54Å; A357-C422 WeakPolarHBondContact O-CA 3.09Å; W358-C422 HydrophobicContact CD2-CB 4.29Å; W358-C422 HydrophobicContact CE3-CB 3.88Å; W358-C422 HydrophobicContact CH2-CB 4.12Å; W358-C422 HydrophobicContact CZ3-CB 3.79Å; C422-E475 CarbonylContact O-C 3.57Å; C422-E475 WeakPolarHBondContact O-CA 3.45Å; C422-V476 PolarHBondContact N-O 2.8Å; C422-V476 PolarHBondContact O-N 2.9Å |
| 423 | T | 88.1 | Confident | 65.5 | Low | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.1 | 179 | 45.6 | 0 | 0 | 0 | 0 | 108.8 | L356 A357 T421 V458 E475 | L356-T423 CarbonylContact C-O 3.55Å; L356-T423 WeakPolarHBondContact CA-O 3.4Å; A357-T423 PolarHBondContact N-O 2.84Å; A357-T423 PolarHBondContact O-N 3.41Å; A357-T423 PolarHBondContact O-OG1 3.5Å; T421-T423 HydrophobicContact CG2-CG2 4.45Å; T423-V458 HydrophobicContact CG2-CG1 3.96Å; T423-V458 WeakPolarHBondContact OG1-CG1 3.32Å; T423-E475 HydrophobicContact CG2-CB 4.28Å; T423-E475 HydrophobicContact CG2-CG 3.77Å; T423-E475 VanDerWaalsContact CG2-OE1 3.3Å; T423-E475 WeakPolarHBondContact CG2-OE1 3.48Å |
| 424 | I | 87.1 | Confident | 63.7 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.8 | 167.5 | -161.6 | -178.7 | 0 | 0 | 0 | 108.5 | P325 I327 G348 P354 S355 L356 L473 H474 | P325-I424 HydrophobicContact CB-CD1 3.96Å; P325-I424 HydrophobicContact CB-CG1 4.08Å; P325-I424 HydrophobicContact CB-CG2 4.19Å; I327-I424 HydrophobicContact CD1-CG2 4.44Å; I327-I424 HydrophobicContact CG1-CB 4.03Å; I327-I424 HydrophobicContact CG1-CG2 3.78Å; G348-I424 VanDerWaalsContact CA-CD1 3.4Å; P354-I424 HydrophobicContact CB-CD1 3.87Å; P354-I424 HydrophobicContact CB-CG1 3.69Å; P354-I424 HydrophobicContact CG-CD1 3.77Å; P354-I424 HydrophobicContact CG-CG1 4.1Å; S355-I424 WeakPolarHBondContact O-CA 3.44Å; S355-I424 WeakPolarHBondContact O-CG1 3.01Å; L356-I424 HydrophobicContact CD1-CB 3.83Å; L356-I424 HydrophobicContact CD1-CD1 4.37Å; L356-I424 HydrophobicContact CD1-CG1 3.92Å; I424-L473 CarbonylContact O-C 3.52Å; I424-L473 WeakPolarHBondContact O-CA 3.41Å; I424-L473 WeakPolarHBondContact O-CB 3.4Å; I424-H474 HydrophobicContact CG2-CB 3.78Å; I424-H474 PolarHBondContact N-O 2.89Å; I424-H474 PolarHBondContact O-N 2.88Å |
| 425 | W | 82.8 | Confident | 62.1 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 156.5 | 176.7 | 71.6 | 98.4 | 0 | 0 | 0 | 112.5 | S355 A357 I370 N427 V458 P459 Y471 R472 L473 | S355-W425 VanDerWaalsContact CB-CZ2 3.44Å; S355-W425 PolarHBondContact N-O 2.86Å; S355-W425 PolarHBondContact O-N 2.89Å; A357-W425 HydrophobicContact CB-CH2 3.79Å; A357-W425 HydrophobicContact CB-CZ3 3.64Å; I370-W425 HydrophobicContact CG2-CH2 4.12Å; W425-N427 PolarHBondContact NE1-OD1 3.26Å; W425-V458 HydrophobicContact CE3-CG1 4.44Å; W425-V458 HydrophobicContact CH2-CB 4.24Å; W425-V458 HydrophobicContact CH2-CG1 4.05Å; W425-V458 HydrophobicContact CH2-CG2 3.99Å; W425-V458 HydrophobicContact CZ3-CB 4.49Å; W425-V458 HydrophobicContact CZ3-CG1 3.8Å; W425-V458 HydrophobicContact CZ3-CG2 4.46Å; W425-P459 HydrophobicContact CB-CG 4.04Å; W425-P459 HydrophobicContact CD2-CG 3.68Å; W425-P459 VanDerWaalsContact CE2-CD 3.47Å; W425-P459 HydrophobicContact CE3-CG 4.22Å; W425-P459 HydrophobicContact CG-CG 3.6Å; W425-Y471 AromaticContact CD1-CD1 3.64Å; W425-Y471 AromaticContact CD1-CE1 3.91Å; W425-Y471 HydrophobicContact CG-CD1 4.41Å; W425-R472 WeakPolarHBondContact CA-O 3.46Å; W425-L473 HydrophobicContact CB-CB 3.84Å |
| 426 | N | 73.5 | Confident | 60.7 | Low | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | trans | -96.3 | 142.8 | 164.5 | -70.2 | -6.1 | 0 | 0 | 0 | 109 | R351 D428 Y471 R472 | R351-N426 PolarHBondContact O-ND2 3.09Å; R351-N426 VanDerWaalsContact O-ND2 3.09Å; N426-D428 PolarHBondContact O-N 3.02Å; N426-Y471 WeakPolarHBondContact O-CD1 3.04Å; N426-R472 PolarHBondContact N-O 3.47Å | ||
| 427 | N | 60.7 | Low | 59.1 | Low | 60 Ų | 60 | 56.6 Ų | 56.6 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | trans | -77.2 | 70.1 | 173.1 | -71.5 | -16.5 | 0 | 0 | 0 | 110.7 | W425 G429 | W425-N427 PolarHBondContact NE1-OD1 3.26Å; N427-G429 PolarHBondContact O-N 3.02Å | ||
| 428 | D | 51.7 | Low | 57.5 | Low | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | trans | -72.5 | 26.8 | 170.5 | -64 | -11.6 | 0 | 0 | 0 | 111.6 | N426 I430 R472 | N426-D428 PolarHBondContact O-N 3.02Å; D428-I430 PolarHBondContact O-N 2.92Å; D428-R472 WeakPolarHBondContact OD2-CD 3.31Å; D428-R472 WeakPolarHBondContact OD2-CG 3.33Å; D428-R472 IonicContact OD2-NE 2.66Å; D428-R472 PolarHBondContact OD2-NE 3.07Å | ||
| 429 | G | 40.5 | Very low | 55.4 | Low | 30 Ų | 30 | 60.3 Ų | 60.3 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | trans | -77.5 | 91.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N427 | N427-G429 PolarHBondContact O-N 3.02Š| ||
| 430 | I | 37.8 | Very low | 52.8 | Low | 82 Ų | 82 | 62.7 Ų | 62.7 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | trans | -62.6 | 130.5 | 162.9 | -53.2 | 165.9 | 0 | 0 | 0 | 108.2 | R254 D428 S432 Y470 | R254-I430 VanDerWaalsContact NH1-CD1 3.31Å; D428-I430 PolarHBondContact O-N 2.92Å; I430-S432 PolarHBondContact O-N 2.94Å; I430-S432 VanDerWaalsContact O-N 3.13Å; I430-Y470 HydrophobicContact CD1-CD1 4.22Å; I430-Y470 HydrophobicContact CD1-CE1 4.43Å | ||
| 431 | P | 32.5 | Very low | 50.3 | Low | 74 Ų | 74 | 70.2 Ų | 70.2 | 48% | 0.481 | 43% | 0.426 | S | S | . | . | trans | -62 | 117.6 | 172.8 | 24.5 | -32.4 | 0 | 0 | 0 | 109.9 | I433 | P431-I433 PolarHBondContact O-N 2.82Š| ||
| 432 | S | 32.7 | Very low | 47.5 | Very low | 58 Ų | 58 | 75.9 Ų | 75.9 | 41% | 0.406 | 46% | 0.461 | S | S | . | . | trans | -78.8 | 103.6 | -174.8 | 36.9 | 0 | 0 | 0 | 0 | 111 | I430 S434 | I430-S432 PolarHBondContact O-N 2.94Å; I430-S432 VanDerWaalsContact O-N 3.13Å; S432-S434 PolarHBondContact O-N 2.82Å | ||
| 433 | I | 30.9 | Very low | 44.8 | Very low | 142 Ų | 142 | 81.5 Ų | 81.5 | 73% | 0.728 | 50% | 0.5 | S | S | * | . | trans | -75.4 | 52.4 | 176.5 | -43.4 | -179.5 | 0 | 0 | 0 | 110.4 | P431 | P431-I433 PolarHBondContact O-N 2.82Š| ||
| 434 | S | 30.8 | Very low | 42 | Very low | 88 Ų | 88 | 86 Ų | 86 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | trans | -149.1 | 30.5 | -168.9 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | S432 | S432-S434 PolarHBondContact O-N 2.82Š| ||
| 435 | S | 30.4 | Very low | 39.2 | Very low | 73 Ų | 73 | 95.2 Ų | 95.2 | 51% | 0.51 | 57% | 0.574 | S | S | . | * | trans | -145.4 | 73.6 | 159.7 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | K467 | S435-K467 PolarHBondContact OG-NZ 3.34Š| ||
| 436 | L | 31.5 | Very low | 36.6 | Very low | 153 Ų | 153 | 98.4 Ų | 98.4 | 80% | 0.801 | 61% | 0.608 | S | S | * | * | trans | -141.6 | 43.1 | 167.4 | -148.3 | 82.9 | 0 | 0 | 0 | 111.3 | T438 | L436-T438 PolarHBondContact O-N 3Š| ||
| 437 | S | 34.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 106.6 Ų | 106.6 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | trans | -69.8 | 114.5 | 171 | 40.2 | 0 | 0 | 0 | 0 | 109.7 | T439 | S437-T439 PolarHBondContact O-N 2.83Š| ||
| 438 | T | 32.8 | Very low | 33 | Very low | 128 Ų | 128 | 109.1 Ų | 109.1 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -63.3 | 125 | -170.4 | 47.6 | 0 | 0 | 0 | 0 | 114.6 | L436 | L436-T438 PolarHBondContact O-N 3Š| ||
| 439 | T | 32.6 | Very low | 31.8 | Very low | 125 Ų | 125 | 113.8 Ų | 113.8 | 77% | 0.767 | 69% | 0.692 | S | S | * | * | trans | -127.6 | 107 | 146.3 | 41.8 | 0 | 0 | 0 | 0 | 109 | S437 L441 | S437-T439 PolarHBondContact O-N 2.83Å; T439-L441 PolarHBondContact O-N 2.87Å | ||
| 440 | P | 31 | Very low | 31.3 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -84.1 | 92.6 | 179.6 | 32.4 | -31.7 | 0 | 0 | 0 | 110 | ||||
| 441 | L | 33.2 | Very low | 30.8 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -108.1 | 129.3 | 170.9 | -91.5 | 164.4 | 0 | 0 | 0 | 111.3 | T439 | T439-L441 PolarHBondContact O-N 2.87Š| ||
| 442 | T | 31.7 | Very low | 30.6 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | -92.9 | 108.8 | -167.5 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 443 | S | 34.2 | Very low | 30.4 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -158.5 | 161 | 151.5 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 444 | S | 29.2 | Very low | 30.7 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -72.3 | 167.3 | 177.4 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 445 | E | 28.6 | Very low | 31.3 | Very low | 193 Ų | 193 | 121.4 Ų | 121.4 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | trans | 65 | 107.2 | 163.6 | -68.3 | 165.1 | -160.4 | 0 | 0 | 116.8 | ||||
| 446 | G | 28.3 | Very low | 32.2 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | trans | 163 | -2.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | V448 | G446-V448 VanDerWaalsContact C-N 3.3Å; G446-V448 PolarHBondContact O-N 3.1Å | ||
| 447 | I | 29.3 | Very low | 33.5 | Very low | 172 Ų | 172 | 119 Ų | 119 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | trans | -83 | 70 | -174.5 | -47.3 | -178.2 | 0 | 0 | 0 | 111.8 | ||||
| 448 | V | 29.4 | Very low | 35.1 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | trans | -141.3 | 137 | 167.6 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | G446 | G446-V448 VanDerWaalsContact C-N 3.3Å; G446-V448 PolarHBondContact O-N 3.1Å | ||
| 449 | N | 27.3 | Very low | 36.7 | Very low | 137 Ų | 137 | 107.4 Ų | 107.4 | 73% | 0.733 | 61% | 0.614 | S | S | * | * | trans | 79.5 | 55.8 | 175 | -50.2 | -54.6 | 0 | 0 | 0 | 119.3 | ||||
| 450 | T | 28.6 | Very low | 38.1 | Very low | 130 Ų | 130 | 101.8 Ų | 101.8 | 80% | 0.798 | 58% | 0.58 | S | S | * | * | trans | -122.8 | 19.6 | 163.4 | 45 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 451 | F | 28.8 | Very low | 39.4 | Very low | 179 Ų | 179 | 99.6 Ų | 99.6 | 79% | 0.785 | 57% | 0.568 | S | S | * | * | trans | -131.7 | 72.9 | 161.5 | -80.6 | -85.7 | 0 | 0 | 0 | 110.3 | ||||
| 452 | K | 27.3 | Very low | 40.6 | Very low | 158 Ų | 158 | 97.5 Ų | 97.5 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | trans | -77.9 | 141.1 | 152.4 | -83.9 | -177.3 | 174.9 | 179.3 | 0 | 107.5 | T454 L456 | K452-T454 PolarHBondContact O-N 2.77Å; K452-L456 HydrophobicContact CB-CD1 4.27Å; K452-L456 HydrophobicContact CD-CD1 4.06Å; K452-L456 HydrophobicContact CG-CD1 4.24Å | ||
| 453 | P | 27.7 | Very low | 41.6 | Very low | 75 Ų | 75 | 93.9 Ų | 93.9 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | trans | -59.3 | 139.5 | 174 | 27 | -34.8 | 0 | 0 | 0 | 109.5 | S455 L456 | P453-S455 PolarHBondContact O-N 2.94Å; P453-L456 HydrophobicContact CG-CD1 4.26Å; P453-L456 HydrophobicContact CG-CG 4.37Å; P453-L456 PolarHBondContact O-N 2.88Å; P453-L456 VanDerWaalsContact O-N 3.12Å | ||
| 454 | T | 38.2 | Very low | 42.2 | Very low | 89 Ų | 89 | 95.5 Ų | 95.5 | 55% | 0.546 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -61.4 | -17 | -178.8 | 43.3 | 0 | 0 | 0 | 0 | 113.1 | K452 L456 I457 | K452-T454 PolarHBondContact O-N 2.77Å; T454-L456 PolarHBondContact O-N 2.6Å; T454-I457 PolarHBondContact O-N 2.93Å; T454-I457 VanDerWaalsContact O-N 3.12Å |
| 455 | S | 44.2 | Very low | 43 | Very low | 2 Ų | 2 | 97.2 Ų | 97.2 | 1% | 0.014 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -63.4 | -16.1 | 173.2 | 63.9 | 0 | 0 | 0 | 0 | 115.2 | D372 P453 I457 | D372-S455 WeakPolarHBondContact OD2-CB 3.43Å; D372-S455 PolarHBondContact OD2-OG 3.05Å; P453-S455 PolarHBondContact O-N 2.94Å; S455-I457 VanDerWaalsContact C-N 3.26Å; S455-I457 PolarHBondContact O-N 3.31Å |
| 456 | L | 47.4 | Very low | 43.8 | Very low | 85 Ų | 85 | 93.4 Ų | 93.4 | 45% | 0.445 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -79.6 | -3.7 | 173 | -74.3 | 174.2 | 0 | 0 | 0 | 113.9 | K452 P453 T454 | K452-L456 HydrophobicContact CB-CD1 4.27Å; K452-L456 HydrophobicContact CD-CD1 4.06Å; K452-L456 HydrophobicContact CG-CD1 4.24Å; P453-L456 HydrophobicContact CG-CD1 4.26Å; P453-L456 HydrophobicContact CG-CG 4.37Å; P453-L456 PolarHBondContact O-N 2.88Å; P453-L456 VanDerWaalsContact O-N 3.12Å; T454-L456 PolarHBondContact O-N 2.6Å |
| 457 | I | 60.6 | Low | 44.6 | Very low | 90 Ų | 90 | 93.9 Ų | 93.9 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -111.8 | 111.8 | 174.9 | -55 | 176.4 | 0 | 0 | 0 | 108.4 | T454 S455 P459 F468 | T454-I457 PolarHBondContact O-N 2.93Å; T454-I457 VanDerWaalsContact O-N 3.12Å; S455-I457 VanDerWaalsContact C-N 3.26Å; S455-I457 PolarHBondContact O-N 3.31Å; I457-P459 WeakPolarHBondContact O-CD 3.43Å; I457-F468 HydrophobicContact CG2-CE1 4.07Å; I457-F468 HydrophobicContact CG2-CZ 3.91Å |
| 458 | V | 66.5 | Low | 45.5 | Very low | 1 Ų | 1 | 87.5 Ų | 87.5 | 1% | 0.006 | 46% | 0.463 | C | S | . | . | trans | -68.7 | 122.5 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | A357 T359 Q368 I370 T423 W425 T460 | A357-V458 HydrophobicContact CB-CG1 4.14Å; A357-V458 HydrophobicContact CB-CG2 3.54Å; T359-V458 HydrophobicContact CG2-CB 3.92Å; T359-V458 HydrophobicContact CG2-CG1 3.71Å; T359-V458 HydrophobicContact CG2-CG2 3.92Å; Q368-V458 HydrophobicContact CB-CG2 4.24Å; Q368-V458 HydrophobicContact CG-CG2 4.37Å; I370-V458 HydrophobicContact CD1-CG2 3.64Å; I370-V458 HydrophobicContact CG1-CG2 3.71Å; T423-V458 HydrophobicContact CG2-CG1 3.96Å; T423-V458 WeakPolarHBondContact OG1-CG1 3.32Å; W425-V458 HydrophobicContact CE3-CG1 4.44Å; W425-V458 HydrophobicContact CH2-CB 4.24Å; W425-V458 HydrophobicContact CH2-CG1 4.05Å; W425-V458 HydrophobicContact CH2-CG2 3.99Å; W425-V458 HydrophobicContact CZ3-CB 4.49Å; W425-V458 HydrophobicContact CZ3-CG1 3.8Å; W425-V458 HydrophobicContact CZ3-CG2 4.46Å; V458-T460 HydrophobicContact CG1-CG2 4.25Å; V458-T460 PolarHBondContact O-N 3.09Å | ||
| 459 | P | 66.3 | Low | 46.2 | Very low | 1 Ų | 1 | 89 Ų | 89 | 1% | 0.006 | 46% | 0.463 | C | S | . | . | trans | -69.6 | 117.6 | 169.6 | 30.2 | -32.6 | 0 | 0 | 0 | 109 | W425 I457 F468 Y471 L473 | W425-P459 HydrophobicContact CB-CG 4.04Å; W425-P459 HydrophobicContact CD2-CG 3.68Å; W425-P459 VanDerWaalsContact CE2-CD 3.47Å; W425-P459 HydrophobicContact CE3-CG 4.22Å; W425-P459 HydrophobicContact CG-CG 3.6Å; I457-P459 WeakPolarHBondContact O-CD 3.43Å; P459-F468 HydrophobicContact CB-CD1 3.92Å; P459-Y471 HydrophobicContact CB-CD2 4.12Å; P459-Y471 HydrophobicContact CB-CG 4.1Å; P459-Y471 HydrophobicContact CG-CD1 4.23Å; P459-Y471 HydrophobicContact CG-CG 4.16Å; P459-L473 HydrophobicContact CB-CD2 3.97Å; P459-L473 HydrophobicContact CG-CD2 4.27Å | ||
| 460 | T | 62.2 | Low | 47.3 | Very low | 7 Ų | 7 | 88 Ų | 88 | 4% | 0.043 | 45% | 0.45 | C | S | . | . | trans | -116.4 | 138.8 | 174.8 | 51 | 0 | 0 | 0 | 0 | 109.5 | T359 K366 V458 D462 N463 | T359-T460 HydrophobicContact CG2-CG2 4.26Å; K366-T460 PolarHBondContact NZ-OG1 2.93Å; V458-T460 HydrophobicContact CG1-CG2 4.25Å; V458-T460 PolarHBondContact O-N 3.09Å; T460-D462 PolarHBondContact O-N 3.35Å; T460-D462 VanDerWaalsContact O-N 3.15Å; T460-N463 WeakPolarHBondContact O-CB 3.41Å; T460-N463 PolarHBondContact O-N 2.84Å; T460-N463 PolarHBondContact OG1-OD1 2.88Å | ||
| 461 | S | 59.2 | Low | 48.6 | Very low | 80 Ų | 80 | 83.3 Ų | 83.3 | 56% | 0.559 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -33.4 | -177.4 | 48.1 | 0 | 0 | 0 | 0 | 114.2 | N463 E475 | S461-N463 PolarHBondContact O-N 3.05Å; S461-N463 VanDerWaalsContact O-N 3.11Å; S461-E475 VanDerWaalsContact CB-OE2 3.29Å; S461-E475 WeakPolarHBondContact CB-OE2 3.39Å; S461-E475 PolarHBondContact N-OE2 2.75Å; S461-E475 VanDerWaalsContact N-OE2 3.1Å; S461-E475 PolarHBondContact OG-OE2 2.9Å |
| 462 | D | 57.4 | Low | 50.4 | Low | 117 Ų | 117 | 79.5 Ų | 79.5 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23.1 | 174.3 | -68.2 | -7.9 | 0 | 0 | 0 | 114.9 | T460 H464 | T460-D462 PolarHBondContact O-N 3.35Å; T460-D462 VanDerWaalsContact O-N 3.15Å; D462-H464 PolarHBondContact O-N 3.25Å |
| 463 | N | 52.5 | Low | 52.8 | Low | 62 Ų | 62 | 74.5 Ų | 74.5 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | trans | -83 | 81 | -174.8 | -85.1 | 40 | 0 | 0 | 0 | 111.4 | T460 S461 E465 F468 | T460-N463 WeakPolarHBondContact O-CB 3.41Å; T460-N463 PolarHBondContact O-N 2.84Å; T460-N463 PolarHBondContact OG1-OD1 2.88Å; S461-N463 PolarHBondContact O-N 3.05Å; S461-N463 VanDerWaalsContact O-N 3.11Å; N463-E465 PolarHBondContact O-N 3.26Å; N463-F468 HydrophobicContact CB-CD2 4.16Å; N463-F468 HydrophobicContact CB-CE2 4.48Å | ||
| 464 | H | 46.7 | Very low | 55.5 | Low | 151 Ų | 151 | 74.3 Ų | 74.3 | 70% | 0.699 | 37% | 0.371 | S | S | * | . | trans | -63.1 | 9 | 176.3 | -87.1 | -87.5 | 0 | 0 | 0 | 116.3 | D462 | D462-H464 PolarHBondContact O-N 3.25Š| ||
| 465 | E | 45.8 | Very low | 57.8 | Low | 131 Ų | 131 | 72.2 Ų | 72.2 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -69.2 | 130.1 | 166.7 | -70.7 | -168.7 | 166.7 | 0 | 0 | 110.6 | N463 K467 F468 | N463-E465 PolarHBondContact O-N 3.26Å; E465-K467 PolarHBondContact O-N 2.75Å; E465-F468 PolarHBondContact O-N 3.3Å |
| 466 | T | 45.6 | Very low | 59.9 | Low | 114 Ų | 114 | 74.4 Ų | 74.4 | 70% | 0.699 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -59.7 | -4.9 | -174.8 | 50.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 467 | K | 45.2 | Very low | 61.9 | Low | 77 Ų | 77 | 73.8 Ų | 73.8 | 34% | 0.335 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -70.4 | -23.1 | 175.7 | -76.9 | -178.2 | 169.2 | 178.6 | 0 | 114.6 | S435 E465 | S435-K467 PolarHBondContact OG-NZ 3.34Å; E465-K467 PolarHBondContact O-N 2.75Å |
| 468 | F | 48 | Very low | 63.2 | Low | 39 Ų | 39 | 70.6 Ų | 70.6 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -98.5 | -1.1 | -171.7 | -64.7 | -76.7 | 0 | 0 | 0 | 115.5 | I457 P459 N463 E465 Y470 Y471 | I457-F468 HydrophobicContact CG2-CE1 4.07Å; I457-F468 HydrophobicContact CG2-CZ 3.91Å; P459-F468 HydrophobicContact CB-CD1 3.92Å; N463-F468 HydrophobicContact CB-CD2 4.16Å; N463-F468 HydrophobicContact CB-CE2 4.48Å; E465-F468 PolarHBondContact O-N 3.3Å; F468-Y470 PolarHBondContact O-N 2.66Å; F468-Y471 HydrophobicContact CB-CD2 4.41Å; F468-Y471 AromaticContact CD1-CD2 3.98Å; F468-Y471 HydrophobicContact CD1-CD2 3.98Å; F468-Y471 AromaticContact CD1-CE2 3.74Å; F468-Y471 HydrophobicContact CD1-CE2 3.74Å; F468-Y471 HydrophobicContact CE1-CE2 4.33Å; F468-Y471 PolarHBondContact O-N 3.21Å |
| 469 | Q | 45.4 | Very low | 64.1 | Low | 145 Ų | 145 | 79.6 Ų | 79.6 | 68% | 0.678 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -4 | -174.7 | -155.4 | 170.7 | 18.4 | 0 | 0 | 114.9 | ||
| 470 | Y | 50.4 | Low | 64.8 | Low | 115 Ų | 115 | 80.6 Ų | 80.6 | 45% | 0.451 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -12.3 | -178.2 | -58.9 | -73.9 | 0 | 0 | 0 | 114.6 | I430 F468 R472 | I430-Y470 HydrophobicContact CD1-CD1 4.22Å; I430-Y470 HydrophobicContact CD1-CE1 4.43Å; F468-Y470 PolarHBondContact O-N 2.66Å; Y470-R472 PolarHBondContact O-N 3.34Å |
| 471 | Y | 55.5 | Low | 65.5 | Low | 32 Ų | 32 | 83.7 Ų | 83.7 | 13% | 0.125 | 41% | 0.414 | C | S | . | . | trans | -82.4 | 118.3 | -173.8 | -71.4 | -85.3 | 0 | 0 | 0 | 112.5 | W425 N426 P459 F468 L473 | W425-Y471 AromaticContact CD1-CD1 3.64Å; W425-Y471 AromaticContact CD1-CE1 3.91Å; W425-Y471 HydrophobicContact CG-CD1 4.41Å; N426-Y471 WeakPolarHBondContact O-CD1 3.04Å; P459-Y471 HydrophobicContact CB-CD2 4.12Å; P459-Y471 HydrophobicContact CB-CG 4.1Å; P459-Y471 HydrophobicContact CG-CD1 4.23Å; P459-Y471 HydrophobicContact CG-CG 4.16Å; F468-Y471 HydrophobicContact CB-CD2 4.41Å; F468-Y471 AromaticContact CD1-CD2 3.98Å; F468-Y471 HydrophobicContact CD1-CD2 3.98Å; F468-Y471 AromaticContact CD1-CE2 3.74Å; F468-Y471 HydrophobicContact CD1-CE2 3.74Å; F468-Y471 HydrophobicContact CE1-CE2 4.33Å; F468-Y471 PolarHBondContact O-N 3.21Å; Y471-L473 PolarHBondContact O-N 2.9Å | ||
| 472 | R | 66.4 | Low | 66 | Low | 98 Ų | 98 | 80.4 Ų | 80.4 | 37% | 0.37 | 39% | 0.393 | S | S | . | . | trans | -69.9 | 93.7 | 161.9 | -67.5 | 176.2 | -165.1 | -138.5 | -8 | 108.8 | C322 P325 W425 N426 D428 Y470 | C322-R472 PolarHBondContact O-NH1 2.91Å; P325-R472 WeakPolarHBondContact CD-O 3.3Å; P325-R472 WeakPolarHBondContact CG-O 3.43Å; W425-R472 WeakPolarHBondContact CA-O 3.46Å; N426-R472 PolarHBondContact N-O 3.47Å; D428-R472 WeakPolarHBondContact OD2-CD 3.31Å; D428-R472 WeakPolarHBondContact OD2-CG 3.33Å; D428-R472 IonicContact OD2-NE 2.66Å; D428-R472 PolarHBondContact OD2-NE 3.07Å; Y470-R472 PolarHBondContact O-N 3.34Å | ||
| 473 | L | 78.3 | Confident | 66.4 | Low | 53 Ų | 53 | 78 Ų | 78 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 157.6 | -179.4 | 72.6 | 85.2 | 0 | 0 | 0 | 112.7 | I424 W425 P459 Y471 E475 | I424-L473 CarbonylContact O-C 3.52Å; I424-L473 WeakPolarHBondContact O-CA 3.41Å; I424-L473 WeakPolarHBondContact O-CB 3.4Å; W425-L473 HydrophobicContact CB-CB 3.84Å; P459-L473 HydrophobicContact CB-CD2 3.97Å; P459-L473 HydrophobicContact CG-CD2 4.27Å; Y471-L473 PolarHBondContact O-N 2.9Å; L473-E475 HydrophobicContact CD1-CB 4.12Å |
| 474 | H | 83 | Confident | 66.5 | Low | 72 Ų | 72 | 82.2 Ų | 82.2 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 127.9 | 166.6 | 179.7 | 175.1 | 0 | 0 | 0 | 107.9 | P325 S326 I327 I424 | P325-H474 WeakPolarHBondContact O-CB 3.31Å; S326-H474 WeakPolarHBondContact CA-ND1 3.34Å; I327-H474 WeakPolarHBondContact CD1-O 3.08Å; I327-H474 PolarHBondContact N-ND1 3.48Å; I424-H474 HydrophobicContact CG2-CB 3.78Å; I424-H474 PolarHBondContact N-O 2.89Å; I424-H474 PolarHBondContact O-N 2.88Å |
| 475 | E | 87.9 | Confident | 66.9 | Low | 45 Ų | 45 | 85 Ų | 85 | 21% | 0.21 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.4 | -172.3 | -173.7 | 159.9 | -142.3 | 0 | 0 | 110.1 | T421 C422 T423 S461 L473 | T421-E475 HydrophobicContact CG2-CG 3.32Å; T421-E475 VanDerWaalsContact CG2-OE1 3.27Å; T421-E475 WeakPolarHBondContact CG2-OE1 3.19Å; C422-E475 CarbonylContact O-C 3.57Å; C422-E475 WeakPolarHBondContact O-CA 3.45Å; T423-E475 HydrophobicContact CG2-CB 4.28Å; T423-E475 HydrophobicContact CG2-CG 3.77Å; T423-E475 VanDerWaalsContact CG2-OE1 3.3Å; T423-E475 WeakPolarHBondContact CG2-OE1 3.48Å; S461-E475 VanDerWaalsContact CB-OE2 3.29Å; S461-E475 WeakPolarHBondContact CB-OE2 3.39Å; S461-E475 PolarHBondContact N-OE2 2.75Å; S461-E475 VanDerWaalsContact N-OE2 3.1Å; S461-E475 PolarHBondContact OG-OE2 2.9Å; L473-E475 HydrophobicContact CD1-CB 4.12Å |
| 476 | V | 88 | Confident | 66.8 | Low | 48 Ų | 48 | 83.6 Ų | 83.6 | 29% | 0.291 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 115.6 | 179.4 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | I327 I330 C422 | I327-V476 HydrophobicContact CB-CG2 4Å; I327-V476 HydrophobicContact CD1-CB 3.87Å; I327-V476 HydrophobicContact CD1-CG2 3.78Å; I327-V476 HydrophobicContact CG1-CG2 4.46Å; I327-V476 HydrophobicContact CG2-CB 4.42Å; I327-V476 HydrophobicContact CG2-CG2 4.05Å; I330-V476 HydrophobicContact CD1-CB 4.3Å; I330-V476 HydrophobicContact CD1-CG1 3.69Å; C422-V476 PolarHBondContact N-O 2.8Å; C422-V476 PolarHBondContact O-N 2.9Å |
| 477 | T | 89.1 | Confident | 66.5 | Low | 71 Ų | 71 | 83.1 Ų | 83.1 | 44% | 0.436 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 119.4 | 178.3 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | N419 T421 | N419-T477 HydrophobicContact CB-CG2 4.05Å; T421-T477 WeakPolarHBondContact CG2-OG1 3.45Å; T421-T477 WeakPolarHBondContact OG1-CG2 3.4Å; T421-T477 PolarHBondContact OG1-OG1 2.85Å |
| 478 | V | 87.2 | Confident | 66 | Low | 24 Ų | 24 | 87.2 Ų | 87.2 | 15% | 0.145 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.1 | 167.9 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | I330 W358 F420 V480 | I330-V478 HydrophobicContact CD1-CG2 3.43Å; I330-V478 VanDerWaalsContact CD1-CG2 3.43Å; I330-V478 HydrophobicContact CG2-CG2 4.24Å; W358-V478 HydrophobicContact CH2-CG2 4.08Å; W358-V478 HydrophobicContact CZ3-CG2 4.19Å; F420-V478 PolarHBondContact N-O 2.8Å; F420-V478 PolarHBondContact O-N 2.79Å; V478-V480 HydrophobicContact CG1-CG2 3.87Å |
| 479 | R | 85.5 | Confident | 65.3 | Low | 190 Ų | 190 | 94.5 Ų | 94.5 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.6 | 167.3 | -56 | -157.6 | 175.7 | 155.7 | 0.5 | 108.7 | I417 N419 | I417-R479 HydrophobicContact CG2-CB 4.11Å; N419-R479 WeakPolarHBondContact OD1-CD 3.48Å; N419-R479 VanDerWaalsContact OD1-CG 3.31Å; N419-R479 WeakPolarHBondContact OD1-CG 3.29Å; N419-R479 PolarHBondContact OD1-NE 2.03Å |
| 480 | V | 81.4 | Confident | 64.7 | Low | 21 Ų | 21 | 94 Ų | 94 | 13% | 0.127 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.4 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | L344 V410 L412 I417 E418 F420 V478 | L344-V480 HydrophobicContact CD1-CG2 4.1Å; L344-V480 HydrophobicContact CD2-CG2 4.39Å; V410-V480 HydrophobicContact CG1-CG1 4.43Å; L412-V480 HydrophobicContact CD2-CG1 3.22Å; I417-V480 WeakPolarHBondContact CA-O 3.33Å; E418-V480 PolarHBondContact N-O 2.96Å; E418-V480 PolarHBondContact O-N 3.11Å; F420-V480 HydrophobicContact CD2-CB 4.02Å; F420-V480 HydrophobicContact CD2-CG2 3.78Å; F420-V480 HydrophobicContact CE2-CB 4Å; F420-V480 HydrophobicContact CE2-CG2 4.2Å; V478-V480 HydrophobicContact CG1-CG2 3.87Å |
| 481 | S | 76 | Confident | 63.7 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | trans | -137.1 | 134.3 | 177.6 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 482 | G | 70.6 | Confident | 62.7 | Low | 11 Ų | 11 | 98.3 Ų | 98.3 | 11% | 0.113 | 51% | 0.508 | C | S | . | . | trans | -60.3 | 161.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L412 S414 L484 | L412-G482 WeakPolarHBondContact O-CA 3.43Å; S414-G482 PolarHBondContact O-N 3.13Å; G482-L484 PolarHBondContact O-N 2.96Å | ||
| 483 | P | 66.8 | Low | 61.1 | Low | 67 Ų | 67 | 100.5 Ų | 100.5 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | trans | -58.8 | 129.6 | 165.8 | 27.2 | -32.8 | 0 | 0 | 0 | 108.8 | R485 | P483-R485 PolarHBondContact O-N 2.78Š| ||
| 484 | L | 54 | Low | 59.1 | Low | 150 Ų | 150 | 105.3 Ų | 105.3 | 79% | 0.785 | 55% | 0.55 | S | S | * | * | trans | -58.1 | 106.2 | 167.9 | -77.2 | 164.7 | 0 | 0 | 0 | 107.9 | V415 G482 S486 | V415-L484 HydrophobicContact CG1-CD2 4.32Å; G482-L484 PolarHBondContact O-N 2.96Å; L484-S486 PolarHBondContact O-N 2.89Å | ||
| 485 | R | 54.5 | Low | 56.8 | Low | 211 Ų | 211 | 110.2 Ų | 110.2 | 80% | 0.796 | 58% | 0.577 | S | S | * | * | trans | -55.1 | 125.3 | 160.1 | -70.9 | -173.9 | 177.6 | -168 | -1.4 | 106 | P483 S487 | P483-R485 PolarHBondContact O-N 2.78Å; R485-S487 PolarHBondContact O-N 2.87Å | ||
| 486 | S | 43.2 | Very low | 54.2 | Low | 101 Ų | 101 | 110.7 Ų | 110.7 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | trans | -54.7 | 113.3 | 169.2 | 32.7 | 0 | 0 | 0 | 0 | 107.4 | L484 E488 | L484-S486 PolarHBondContact O-N 2.89Å; S486-E488 PolarHBondContact O-N 2.84Å | ||
| 487 | S | 39.6 | Very low | 51.5 | Low | 104 Ų | 104 | 117.6 Ų | 117.6 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | trans | -49.5 | 138.6 | 162.9 | 51.6 | 0 | 0 | 0 | 0 | 107.5 | R485 F489 | R485-S487 PolarHBondContact O-N 2.87Å; S487-F489 PolarHBondContact O-N 2.02Å; S487-F489 VanDerWaalsContact O-N 3.16Å | ||
| 488 | E | 34.5 | Very low | 49 | Very low | 162 Ų | 162 | 119.5 Ų | 119.5 | 76% | 0.757 | 64% | 0.639 | S | S | * | * | trans | -41.1 | 123.9 | -177.1 | -63.6 | 161.3 | 128.5 | 0 | 0 | 110.2 | S486 I490 | S486-E488 PolarHBondContact O-N 2.84Å; E488-I490 HydrophobicContact CB-CD1 4.44Å; E488-I490 HydrophobicContact CB-CG1 3.92Å; E488-I490 PolarHBondContact O-N 2.92Å | ||
| 489 | F | 33.1 | Very low | 46.5 | Very low | 192 Ų | 192 | 123.3 Ų | 123.3 | 84% | 0.842 | 67% | 0.667 | S | S | * | * | trans | -71.3 | 68.4 | 169 | -99.5 | -86.8 | 0 | 0 | 0 | 108.2 | S487 N491 | S487-F489 PolarHBondContact O-N 2.02Å; S487-F489 VanDerWaalsContact O-N 3.16Å; F489-N491 VanDerWaalsContact C-N 3.3Å; F489-N491 PolarHBondContact O-N 2.72Å | ||
| 490 | I | 33.6 | Very low | 44.1 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | trans | -63.3 | 100.1 | 162.8 | -60.1 | 177.4 | 0 | 0 | 0 | 104.5 | E488 | E488-I490 HydrophobicContact CB-CD1 4.44Å; E488-I490 HydrophobicContact CB-CG1 3.92Å; E488-I490 PolarHBondContact O-N 2.92Å | ||
| 491 | N | 28.5 | Very low | 42 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | trans | -48.4 | 132.2 | 173.1 | -75.4 | -39.3 | 0 | 0 | 0 | 108.4 | F489 I493 | F489-N491 VanDerWaalsContact C-N 3.3Å; F489-N491 PolarHBondContact O-N 2.72Å; N491-I493 HydrophobicContact CB-CG1 4.34Å; N491-I493 PolarHBondContact O-N 3.39Å | ||
| 492 | P | 34.9 | Very low | 40.2 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | -70 | 79.9 | 171.2 | 29.6 | -33.7 | 0 | 0 | 0 | 108.4 | I494 | P492-I494 PolarHBondContact O-N 2.83Š| ||
| 493 | I | 33.2 | Very low | 38.6 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | -63.4 | 110.4 | 172.6 | -65.3 | 179.1 | 0 | 0 | 0 | 106.2 | N491 I495 | N491-I493 HydrophobicContact CB-CG1 4.34Å; N491-I493 PolarHBondContact O-N 3.39Å; I493-I495 PolarHBondContact O-N 3.12Å; I493-I495 VanDerWaalsContact O-N 3.13Å | ||
| 494 | I | 36.2 | Very low | 37.1 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | trans | -60.2 | 116.7 | 179 | -62.2 | 170.6 | 0 | 0 | 0 | 107.5 | P492 G496 | P492-I494 PolarHBondContact O-N 2.83Å; I494-G496 PolarHBondContact O-N 3.09Å | ||
| 495 | I | 35 | Very low | 36.4 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 89% | 0.892 | 75% | 0.751 | S | S | * | * | trans | -73.4 | 85.2 | 169.7 | -59.6 | 178.2 | 0 | 0 | 0 | 107 | I493 | I493-I495 PolarHBondContact O-N 3.12Å; I493-I495 VanDerWaalsContact O-N 3.13Å | ||
| 496 | G | 33 | Very low | 35.6 | Very low | 55 Ų | 55 | 134.3 Ų | 134.3 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | trans | -109.4 | 133.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I494 | I494-G496 PolarHBondContact O-N 3.09Š| ||
| 497 | E | 31.3 | Very low | 35.3 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | -69.2 | 130.8 | -168.1 | -57.6 | 164.4 | 124.3 | 0 | 0 | 113 | ||||
| 498 | S | 36.3 | Very low | 35.3 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -165.8 | 103.9 | 145.9 | 10.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 499 | S | 35.4 | Very low | 35.8 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 18.8 | 131.1 | 142.3 | 57.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 500 | S | 35.7 | Very low | 36 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | 92.7 | 126.4 | 129.8 | 72.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 501 | S | 36.6 | Very low | 36.2 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | 61.5 | 146.4 | 144.8 | 56.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 502 | D | 37.6 | Very low | 36.8 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | cis | -165.2 | 149.4 | -25.8 | -175.4 | 16.1 | 0 | 0 | 0 | 107.6 | ||||
| 503 | S | 37 | Very low | 37 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | 72.2 | 155 | 156.1 | 94.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 504 | R | 36.3 | Very low | 37.4 | Very low | 206 Ų | 206 | 132 Ų | 132 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | cis | 176.4 | 144.5 | -13.5 | 159.3 | -178 | -128.2 | -175.2 | 4.8 | 111.6 | ||||
| 505 | K | 38.2 | Very low | 37.2 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 68% | 0.683 | 74% | 0.742 | S | S | * | * | trans | 73 | 153.3 | 163.2 | -71.5 | 167.7 | 164.4 | -161.7 | 0 | 118 | ||||
| 506 | Q | 38.7 | Very low | 37.1 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 60% | 0.598 | 73% | 0.734 | S | S | * | * | cis | -164.9 | 157.6 | -10.2 | -117.9 | 165.8 | -48.2 | 0 | 0 | 113.3 | ||||
| 507 | H | 37.6 | Very low | 36.9 | Very low | 152 Ų | 152 | 133 Ų | 133 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | trans | 52.2 | 130 | 151.6 | -61.7 | -51.7 | 0 | 0 | 0 | 120.9 | ||||
| 508 | A | 38.2 | Very low | 36.9 | Very low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | cis | 71.5 | 151 | 7.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 509 | P | 44.7 | Very low | 36.5 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | cis | -142.4 | -154 | -17.5 | 27.5 | -0.2 | 0 | 0 | 0 | 113.7 | ||||
| 510 | K | 38.4 | Very low | 36.1 | Very low | 166 Ų | 166 | 130 Ų | 130 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | 82.8 | 146.3 | 153.9 | -71.2 | -175 | 140.5 | -74.9 | 0 | 118.5 | ||||
| 511 | D | 38 | Very low | 35.9 | Very low | 112 Ų | 112 | 133 Ų | 133 | 60% | 0.599 | 74% | 0.74 | S | S | * | * | cis | -146.7 | 178 | -5.1 | -92.6 | -35.7 | 0 | 0 | 0 | 107.2 | ||||
| 512 | D | 41.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | cis | -148.6 | -153.1 | 8.8 | -146.9 | -70 | 0 | 0 | 0 | 111.1 | ||||
| 513 | N | 37.6 | Very low | 35 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | -106.8 | 170.7 | -166.6 | -111.3 | -9.1 | 0 | 0 | 0 | 117.4 | ||||
| 514 | P | 41.3 | Very low | 34.6 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -109.7 | 169.4 | -174.8 | 41.6 | -34.9 | 0 | 0 | 0 | 115.3 | ||||
| 515 | E | 33.9 | Very low | 34.5 | Very low | 205 Ų | 205 | 129.8 Ų | 129.8 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | trans | -157.9 | 178.7 | 142.2 | -127.4 | 173 | -162.7 | 0 | 0 | 112.9 | ||||
| 516 | A | 31.2 | Very low | 34.1 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -109.1 | 157.6 | -157.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 517 | S | 29.3 | Very low | 34 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | 170.7 | 168.8 | 122.9 | 52 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 518 | L | 31.5 | Very low | 33.7 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 67.8 | 105.4 | 158.5 | -104.1 | 68.9 | 0 | 0 | 0 | 121.6 | ||||
| 519 | S | 28.1 | Very low | 33.2 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | 56.2 | 125.5 | 120.8 | 67.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 520 | S | 27 | Very low | 32.6 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 54.7 | 115.4 | 139.3 | 63.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 521 | L | 31 | Very low | 32.1 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | -158.2 | 139.2 | 122.1 | -110.1 | 156.8 | 0 | 0 | 0 | 111.7 | |||||
| 522 | T | 25.2 | Very low | 31.8 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | -68.5 | 152.6 | 161.3 | 44.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 523 | T | 30.1 | Very low | 31.2 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | 171.8 | 146.4 | 117.9 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 524 | T | 28.2 | Very low | 30.7 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -68.4 | 140.3 | 176.2 | -41.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 525 | S | 34.1 | Very low | 30 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -145.8 | 146.4 | 158.3 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 526 | Q | 31.1 | Very low | 29.8 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -103.3 | 147.2 | -177.9 | -58.9 | 164 | -27.9 | 0 | 0 | 110.5 | ||||
| 527 | I | 35.4 | Very low | 29.6 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -153.6 | 102 | 147.7 | -85.4 | 121.2 | 0 | 0 | 0 | 103.9 | ||||
| 528 | L | 31 | Very low | 29.7 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | 64.9 | 113.9 | 78.2 | -168.3 | 65.8 | 0 | 0 | 0 | 112 | |||||
| 529 | G | 27.6 | Very low | 29.8 | Very low | 72 Ų | 72 | 146.6 Ų | 146.6 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -97 | -174.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 530 | K | 33.4 | Very low | 30.1 | Very low | 208 Ų | 208 | 146.8 Ų | 146.8 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -134.5 | 138.8 | 164.6 | -113.6 | 178.1 | 179 | 177.7 | 0 | 109.8 | ||||
| 531 | Q | 28.2 | Very low | 30.5 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -80.8 | 138 | 175.1 | -64.7 | 164.9 | -50.6 | 0 | 0 | 110.1 | ||||
| 532 | T | 30.9 | Very low | 30.9 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -144.6 | 112.3 | 152.1 | 3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 533 | T | 28.5 | Very low | 31.6 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | -96.7 | 155.9 | -177.8 | 47.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 534 | N | 27.7 | Very low | 32 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 94.1 | 153.7 | 167.7 | -50.3 | -19.8 | 0 | 0 | 0 | 116.5 | ||||
| 535 | S | 27.3 | Very low | 32.4 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 51.4 | 81.4 | 179.9 | 59.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 536 | F | 28.7 | Very low | 32.9 | Very low | 199 Ų | 199 | 149.5 Ų | 149.5 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | -164.4 | 97.5 | 129.7 | -104.4 | -70.2 | 0 | 0 | 0 | 108.4 | |||||
| 537 | Q | 26.7 | Very low | 33.4 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | -133.8 | 52.4 | -168.4 | -164.9 | -167.6 | -46.5 | 0 | 0 | 112 | ||||
| 538 | E | 32.2 | Very low | 33.6 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -152.3 | -23.5 | 174.3 | -128.7 | 145.3 | -161 | 0 | 0 | 117.7 | ||
| 539 | E | 32.6 | Very low | 34.3 | Very low | 160 Ų | 160 | 147 Ų | 147 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -86.9 | -8.6 | -170.8 | -67.7 | -176.9 | 130 | 0 | 0 | 116.7 | K541 | E539-K541 PolarHBondContact O-N 3.32Š| ||
| 540 | S | 34.3 | Very low | 35.1 | Very low | 95 Ų | 95 | 150.5 Ų | 150.5 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 18.1 | -169.5 | 61.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 541 | K | 35.4 | Very low | 36.2 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -20.8 | -171.4 | -115.5 | 177.2 | -177 | 173.3 | 0 | 115.7 | E539 | E539-K541 PolarHBondContact O-N 3.32Š|
| 542 | E | 40 | Very low | 37.9 | Very low | 178 Ų | 178 | 149.5 Ų | 149.5 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -94.3 | -25.9 | -171.6 | -56.6 | -160.2 | 143.7 | 0 | 0 | 113.6 | Y544 G545 | E542-Y544 PolarHBondContact O-N 2.72Å; E542-G545 PolarHBondContact O-N 3.41Å |
| 543 | T | 39.4 | Very low | 40.2 | Very low | 84 Ų | 84 | 145.9 Ų | 145.9 | 52% | 0.515 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | 3.9 | -172.1 | -19.5 | 0 | 0 | 0 | 0 | 115.8 | Y546 | T543-Y546 WeakPolarHBondContact O-CE1 3.4Å; T543-Y546 VanDerWaalsContact O-CZ 3.27Å; T543-Y546 PolarHBondContact O-OH 3.42Å |
| 544 | Y | 38.7 | Very low | 42.5 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 1.2 | -178.9 | -64.5 | -76.2 | 0 | 0 | 0 | 114.1 | E542 Y546 | E542-Y544 PolarHBondContact O-N 2.72Å; Y544-Y546 VanDerWaalsContact C-N 3.27Å; Y544-Y546 PolarHBondContact O-N 3.02Å |
| 545 | G | 36.5 | Very low | 45.1 | Very low | 64 Ų | 64 | 146.5 Ų | 146.5 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -17.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | E542 | E542-G545 PolarHBondContact O-N 3.41Š|
| 546 | Y | 45.4 | Very low | 47.7 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -6.9 | -171.4 | 49.4 | -98.3 | 0 | 0 | 0 | 115.6 | T543 Y544 | T543-Y546 WeakPolarHBondContact O-CE1 3.4Å; T543-Y546 VanDerWaalsContact O-CZ 3.27Å; T543-Y546 PolarHBondContact O-OH 3.42Å; Y544-Y546 VanDerWaalsContact C-N 3.27Å; Y544-Y546 PolarHBondContact O-N 3.02Å |
| 547 | L | 40.8 | Very low | 50.2 | Low | 132 Ų | 132 | 140.1 Ų | 140.1 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -99 | 3.5 | -179.9 | -81.8 | 167.9 | 0 | 0 | 0 | 114.7 | ||
| 548 | F | 39.7 | Very low | 53.1 | Low | 160 Ų | 160 | 135.7 Ų | 135.7 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -121.9 | 125.6 | 174.2 | -66.1 | -79.1 | 0 | 0 | 0 | 110.5 | K550 | F548-K550 PolarHBondContact O-N 3.35Š|
| 549 | I | 47.3 | Very low | 55.8 | Low | 163 Ų | 163 | 129 Ų | 129 | 84% | 0.836 | 64% | 0.643 | S | S | * | * | trans | -52.8 | 127.2 | 171.9 | -65.3 | 169 | 0 | 0 | 0 | 108.3 | R551 | I549-R551 PolarHBondContact O-N 2.97Š| ||
| 550 | K | 43.5 | Very low | 58.5 | Low | 146 Ų | 146 | 124.1 Ų | 124.1 | 64% | 0.635 | 63% | 0.63 | S | S | * | * | trans | -47.9 | 105.8 | -178.9 | -173 | -162.7 | -178.6 | -162.1 | 0 | 109.6 | F548 F552 E556 | F548-K550 PolarHBondContact O-N 3.35Å; K550-F552 PolarHBondContact O-N 2.93Å; K550-E556 IonicContact NZ-OE1 3.63Å; K550-E556 PolarHBondContact NZ-OE1 3.41Å; K550-E556 IonicContact NZ-OE2 2.79Å | ||
| 551 | R | 57.1 | Low | 61.2 | Low | 211 Ų | 211 | 123.9 Ų | 123.9 | 80% | 0.796 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 126.6 | 172.7 | -70.1 | -176.3 | 178.2 | -179.3 | 0.1 | 107.3 | I549 T553 | I549-R551 PolarHBondContact O-N 2.97Å; R551-T553 PolarHBondContact O-N 2.8Å; R551-T553 VanDerWaalsContact O-N 3.17Å |
| 552 | F | 63.2 | Low | 63.9 | Low | 161 Ų | 161 | 119.2 Ų | 119.2 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 125.3 | 173.9 | -67.3 | -76.8 | 0 | 0 | 0 | 109 | K550 E556 | K550-F552 PolarHBondContact O-N 2.93Å; F552-E556 HydrophobicContact CB-CB 4.34Å; F552-E556 HydrophobicContact CD1-CB 4.15Å |
| 553 | T | 79.1 | Confident | 66.4 | Low | 69 Ų | 69 | 112.5 Ų | 112.5 | 42% | 0.423 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 153.2 | 169.1 | 59.1 | 0 | 0 | 0 | 0 | 109 | R551 L555 E556 L557 | R551-T553 PolarHBondContact O-N 2.8Å; R551-T553 VanDerWaalsContact O-N 3.17Å; T553-L555 PolarHBondContact O-N 2.96Å; T553-L555 VanDerWaalsContact O-N 3.07Å; T553-E556 WeakPolarHBondContact CB-OE2 2.97Å; T553-E556 WeakPolarHBondContact CG2-OE2 3.35Å; T553-E556 PolarHBondContact N-OE2 2.82Å; T553-E556 PolarHBondContact O-N 2.95Å; T553-E556 WeakPolarHBondContact OG1-CB 3.48Å; T553-E556 VanDerWaalsContact OG1-CD 3.28Å; T553-E556 VanDerWaalsContact OG1-CG 3.27Å; T553-E556 WeakPolarHBondContact OG1-CG 3.38Å; T553-E556 PolarHBondContact OG1-N 2.82Å; T553-E556 PolarHBondContact OG1-OE2 2.85Å; T553-L557 PolarHBondContact O-N 2.85Å |
| 554 | L | 77.9 | Confident | 68.9 | Low | 138 Ų | 138 | 112.8 Ų | 112.8 | 72% | 0.723 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.5 | -27.1 | 179.4 | -169.6 | 142.5 | 0 | 0 | 0 | 111.8 | L558 | L554-L558 WeakPolarHBondContact O-CB 3.3Å; L554-L558 PolarHBondContact O-N 2.86Å |
| 555 | L | 81.2 | Confident | 71.5 | Confident | 138 Ų | 138 | 111.4 Ų | 111.4 | 72% | 0.723 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72 | -43.1 | 173.3 | -167.5 | 69.7 | 0 | 0 | 0 | 113.2 | T553 L557 L558 G559 | T553-L555 PolarHBondContact O-N 2.96Å; T553-L555 VanDerWaalsContact O-N 3.07Å; L555-L557 VanDerWaalsContact C-N 3.32Å; L555-L557 PolarHBondContact O-N 2.85Å; L555-L558 PolarHBondContact O-N 3.37Å; L555-G559 PolarHBondContact O-N 2.93Å |
| 556 | E | 81.1 | Confident | 74.2 | Confident | 71 Ų | 71 | 113.3 Ų | 113.3 | 33% | 0.332 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.7 | -39.2 | 173.1 | -74.4 | 160.8 | 135.3 | 0 | 0 | 111.3 | K550 F552 T553 G559 A560 | K550-E556 IonicContact NZ-OE1 3.63Å; K550-E556 PolarHBondContact NZ-OE1 3.41Å; K550-E556 IonicContact NZ-OE2 2.79Å; F552-E556 HydrophobicContact CB-CB 4.34Å; F552-E556 HydrophobicContact CD1-CB 4.15Å; T553-E556 WeakPolarHBondContact CB-OE2 2.97Å; T553-E556 WeakPolarHBondContact CG2-OE2 3.35Å; T553-E556 PolarHBondContact N-OE2 2.82Å; T553-E556 PolarHBondContact O-N 2.95Å; T553-E556 WeakPolarHBondContact OG1-CB 3.48Å; T553-E556 VanDerWaalsContact OG1-CD 3.28Å; T553-E556 VanDerWaalsContact OG1-CG 3.27Å; T553-E556 WeakPolarHBondContact OG1-CG 3.38Å; T553-E556 PolarHBondContact OG1-N 2.82Å; T553-E556 PolarHBondContact OG1-OE2 2.85Å; E556-G559 PolarHBondContact O-N 2.87Å; E556-A560 PolarHBondContact O-N 2.76Å |
| 557 | L | 82 | Confident | 76.5 | Confident | 102 Ų | 102 | 109 Ų | 109 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65 | -44.9 | 174.8 | -173 | 68.8 | 0 | 0 | 0 | 111.7 | T553 L555 G559 A560 V561 | T553-L557 PolarHBondContact O-N 2.85Å; L555-L557 VanDerWaalsContact C-N 3.32Å; L555-L557 PolarHBondContact O-N 2.85Å; L557-G559 VanDerWaalsContact C-N 3.31Å; L557-G559 PolarHBondContact O-N 3.1Å; L557-A560 PolarHBondContact O-N 2.8Å; L557-V561 WeakPolarHBondContact O-CG2 3.45Å; L557-V561 PolarHBondContact O-N 2.82Å |
| 558 | L | 87.6 | Confident | 78.9 | Confident | 96 Ų | 96 | 106.2 Ų | 106.2 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60 | -43.4 | 175 | -136.6 | 78.8 | 0 | 0 | 0 | 111.1 | L554 L555 A560 V561 I562 | L554-L558 WeakPolarHBondContact O-CB 3.3Å; L554-L558 PolarHBondContact O-N 2.86Å; L555-L558 PolarHBondContact O-N 3.37Å; L558-A560 VanDerWaalsContact C-N 3.35Å; L558-A560 PolarHBondContact O-N 3.22Å; L558-V561 PolarHBondContact O-N 3.45Å; L558-I562 HydrophobicContact CD2-CD1 4.26Å; L558-I562 HydrophobicContact CG-CD1 4.19Å; L558-I562 WeakPolarHBondContact O-CB 3.45Å; L558-I562 VanDerWaalsContact O-CG1 3.27Å; L558-I562 WeakPolarHBondContact O-CG1 3.47Å; L558-I562 PolarHBondContact O-N 2.8Å |
| 559 | G | 90 | Very high | 81.5 | Confident | 44 Ų | 44 | 103 Ų | 103 | 45% | 0.454 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.7 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L555 E556 L557 G563 | L555-G559 PolarHBondContact O-N 2.93Å; E556-G559 PolarHBondContact O-N 2.87Å; L557-G559 VanDerWaalsContact C-N 3.31Å; L557-G559 PolarHBondContact O-N 3.1Å; G559-G563 PolarHBondContact O-N 2.98Å |
| 560 | A | 87.6 | Confident | 83.6 | Confident | 56 Ų | 56 | 97.6 Ų | 97.6 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E556 L557 L558 T564 | E556-A560 PolarHBondContact O-N 2.76Å; L557-A560 PolarHBondContact O-N 2.8Å; L558-A560 VanDerWaalsContact C-N 3.35Å; L558-A560 PolarHBondContact O-N 3.22Å; A560-T564 WeakPolarHBondContact O-CB 3.28Å; A560-T564 WeakPolarHBondContact O-CG2 3.33Å; A560-T564 PolarHBondContact O-N 3.36Å; A560-T564 PolarHBondContact O-OG1 2.68Å |
| 561 | V | 91 | Very high | 85.8 | Confident | 91 Ų | 91 | 96.4 Ų | 96.4 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.7 | -44.3 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | L557 L558 T564 F565 | L557-V561 WeakPolarHBondContact O-CG2 3.45Å; L557-V561 PolarHBondContact O-N 2.82Å; L558-V561 PolarHBondContact O-N 3.45Å; V561-T564 PolarHBondContact O-OG1 3.16Å; V561-T564 VanDerWaalsContact O-OG1 3.07Å; V561-F565 WeakPolarHBondContact O-CB 3.3Å; V561-F565 PolarHBondContact O-N 3.06Å |
| 562 | I | 92.4 | Very high | 87.4 | Confident | 90 Ų | 90 | 91.6 Ų | 91.6 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 177.4 | -67.4 | 164.8 | 0 | 0 | 0 | 110.5 | L558 T564 F565 I566 | L558-I562 HydrophobicContact CD2-CD1 4.26Å; L558-I562 HydrophobicContact CG-CD1 4.19Å; L558-I562 WeakPolarHBondContact O-CB 3.45Å; L558-I562 VanDerWaalsContact O-CG1 3.27Å; L558-I562 WeakPolarHBondContact O-CG1 3.47Å; L558-I562 PolarHBondContact O-N 2.8Å; I562-T564 PolarHBondContact O-N 2.56Å; I562-F565 PolarHBondContact O-N 3.39Å; I562-I566 HydrophobicContact CG2-CD1 3.78Å; I562-I566 HydrophobicContact CG2-CG1 4.46Å; I562-I566 WeakPolarHBondContact O-CG1 3.38Å; I562-I566 PolarHBondContact O-N 3.22Å |
| 563 | G | 92.9 | Very high | 88.6 | Confident | 38 Ų | 38 | 91.3 Ų | 91.3 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G559 I566 A567 | G559-G563 PolarHBondContact O-N 2.98Å; G563-I566 PolarHBondContact O-N 3.23Å; G563-A567 VanDerWaalsContact O-CB 3.31Å; G563-A567 WeakPolarHBondContact O-CB 3.35Å; G563-A567 PolarHBondContact O-N 3.38Å |
| 564 | T | 91.5 | Very high | 89.1 | Confident | 89 Ų | 89 | 93 Ų | 93 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 175.1 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | A560 V561 I562 T568 | A560-T564 WeakPolarHBondContact O-CB 3.28Å; A560-T564 WeakPolarHBondContact O-CG2 3.33Å; A560-T564 PolarHBondContact O-N 3.36Å; A560-T564 PolarHBondContact O-OG1 2.68Å; V561-T564 PolarHBondContact O-OG1 3.16Å; V561-T564 VanDerWaalsContact O-OG1 3.07Å; I562-T564 PolarHBondContact O-N 2.56Å; T564-T568 WeakPolarHBondContact O-CG2 3.42Å; T564-T568 PolarHBondContact O-N 2.96Å; T564-T568 PolarHBondContact O-OG1 2.93Å |
| 565 | F | 92.9 | Very high | 89.4 | Confident | 134 Ų | 134 | 88.4 Ų | 88.4 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68 | -42.4 | 173.2 | -170.8 | -105.2 | 0 | 0 | 0 | 112.4 | V561 I562 T568 L569 | V561-F565 WeakPolarHBondContact O-CB 3.3Å; V561-F565 PolarHBondContact O-N 3.06Å; I562-F565 PolarHBondContact O-N 3.39Å; F565-T568 PolarHBondContact O-N 3.47Å; F565-T568 PolarHBondContact O-OG1 2.95Å; F565-T568 VanDerWaalsContact O-OG1 3.11Å; F565-L569 HydrophobicContact CD1-CD1 3.85Å; F565-L569 HydrophobicContact CE1-CD1 3.49Å; F565-L569 VanDerWaalsContact CE1-CD1 3.49Å; F565-L569 HydrophobicContact CE1-CG 4.39Å; F565-L569 HydrophobicContact CZ-CD1 4.01Å; F565-L569 WeakPolarHBondContact O-CB 3.07Å; F565-L569 WeakPolarHBondContact O-CG 3.26Å; F565-L569 PolarHBondContact O-N 2.85Å |
| 566 | I | 94.3 | Very high | 89.4 | Confident | 105 Ų | 105 | 85.8 Ų | 85.8 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 174.3 | -67.2 | 168.3 | 0 | 0 | 0 | 110.8 | I562 G563 L569 A570 | I562-I566 HydrophobicContact CG2-CD1 3.78Å; I562-I566 HydrophobicContact CG2-CG1 4.46Å; I562-I566 WeakPolarHBondContact O-CG1 3.38Å; I562-I566 PolarHBondContact O-N 3.22Å; G563-I566 PolarHBondContact O-N 3.23Å; I566-L569 PolarHBondContact O-N 3.15Å; I566-A570 WeakPolarHBondContact O-CB 3.42Å; I566-A570 PolarHBondContact O-N 2.91Å |
| 567 | A | 92.9 | Very high | 89.2 | Confident | 54 Ų | 54 | 85.7 Ų | 85.7 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G563 A570 L571 | G563-A567 VanDerWaalsContact O-CB 3.31Å; G563-A567 WeakPolarHBondContact O-CB 3.35Å; G563-A567 PolarHBondContact O-N 3.38Å; A567-A570 PolarHBondContact O-N 3.3Å; A567-L571 WeakPolarHBondContact O-CB 3.44Å; A567-L571 PolarHBondContact O-N 2.78Å |
| 568 | T | 92.6 | Very high | 88.7 | Confident | 74 Ų | 74 | 83.7 Ų | 83.7 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.6 | -37.6 | 176.5 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | T564 F565 L571 L572 | T564-T568 WeakPolarHBondContact O-CG2 3.42Å; T564-T568 PolarHBondContact O-N 2.96Å; T564-T568 PolarHBondContact O-OG1 2.93Å; F565-T568 PolarHBondContact O-N 3.47Å; F565-T568 PolarHBondContact O-OG1 2.95Å; F565-T568 VanDerWaalsContact O-OG1 3.11Å; T568-L571 PolarHBondContact O-N 3.2Å; T568-L572 WeakPolarHBondContact O-CB 3.38Å; T568-L572 WeakPolarHBondContact O-CG 3.24Å; T568-L572 PolarHBondContact O-N 3.49Å |
| 569 | L | 93.3 | Very high | 87.4 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 170.5 | -79.1 | 172.7 | 0 | 0 | 0 | 112.6 | F565 I566 L572 Y573 | F565-L569 HydrophobicContact CD1-CD1 3.85Å; F565-L569 HydrophobicContact CE1-CD1 3.49Å; F565-L569 VanDerWaalsContact CE1-CD1 3.49Å; F565-L569 HydrophobicContact CE1-CG 4.39Å; F565-L569 HydrophobicContact CZ-CD1 4.01Å; F565-L569 WeakPolarHBondContact O-CB 3.07Å; F565-L569 WeakPolarHBondContact O-CG 3.26Å; F565-L569 PolarHBondContact O-N 2.85Å; I566-L569 PolarHBondContact O-N 3.15Å; L569-L572 PolarHBondContact O-N 3.35Å; L569-Y573 WeakPolarHBondContact O-CB 2.96Å; L569-Y573 PolarHBondContact O-N 2.69Å |
| 570 | A | 91 | Very high | 86 | Confident | 49 Ų | 49 | 87.2 Ų | 87.2 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | I566 A567 Y573 L574 | I566-A570 WeakPolarHBondContact O-CB 3.42Å; I566-A570 PolarHBondContact O-N 2.91Å; A567-A570 PolarHBondContact O-N 3.3Å; A570-Y573 PolarHBondContact O-N 2.66Å; A570-L574 WeakPolarHBondContact O-CB 3.28Å; A570-L574 WeakPolarHBondContact O-CG 3.36Å; A570-L574 PolarHBondContact O-N 3.28Å |
| 571 | L | 90.3 | Very high | 84.6 | Confident | 122 Ų | 122 | 92.6 Ų | 92.6 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 173.8 | -94.7 | 164.1 | 0 | 0 | 0 | 112.6 | A567 T568 L574 A575 | A567-L571 WeakPolarHBondContact O-CB 3.44Å; A567-L571 PolarHBondContact O-N 2.78Å; T568-L571 PolarHBondContact O-N 3.2Å; L571-L574 PolarHBondContact O-N 3.28Å; L571-A575 VanDerWaalsContact O-CB 3.31Å; L571-A575 WeakPolarHBondContact O-CB 3.35Å; L571-A575 PolarHBondContact O-N 2.88Å |
| 572 | L | 90.1 | Very high | 82.8 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 175.4 | -77.1 | 165.6 | 0 | 0 | 0 | 112 | T568 L569 A575 T576 | T568-L572 WeakPolarHBondContact O-CB 3.38Å; T568-L572 WeakPolarHBondContact O-CG 3.24Å; T568-L572 PolarHBondContact O-N 3.49Å; L569-L572 PolarHBondContact O-N 3.35Å; L572-A575 PolarHBondContact O-N 3.4Å; L572-T576 WeakPolarHBondContact O-CG2 3.43Å; L572-T576 PolarHBondContact O-N 3.06Å; L572-T576 PolarHBondContact O-OG1 3.07Å |
| 573 | Y | 89.8 | Confident | 80.9 | Confident | 154 Ų | 154 | 93.8 Ų | 93.8 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.3 | -38.2 | 176.8 | -176.1 | -101.9 | 0 | 0 | 0 | 112.8 | L569 A570 T576 N577 | L569-Y573 WeakPolarHBondContact O-CB 2.96Å; L569-Y573 PolarHBondContact O-N 2.69Å; A570-Y573 PolarHBondContact O-N 2.66Å; Y573-T576 PolarHBondContact O-OG1 3.46Å; Y573-N577 WeakPolarHBondContact CE1-ND2 3.46Å; Y573-N577 WeakPolarHBondContact O-CB 3.34Å; Y573-N577 PolarHBondContact O-N 3.11Å; Y573-N577 PolarHBondContact O-ND2 3.01Å |
| 574 | L | 88.3 | Confident | 78.9 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.2 | -39.3 | 172 | -73.2 | 170.8 | 0 | 0 | 0 | 111.5 | A570 L571 C578 | A570-L574 WeakPolarHBondContact O-CB 3.28Å; A570-L574 WeakPolarHBondContact O-CG 3.36Å; A570-L574 PolarHBondContact O-N 3.28Å; L571-L574 PolarHBondContact O-N 3.28Å; L574-C578 WeakPolarHBondContact O-CB 3.31Å; L574-C578 PolarHBondContact O-N 3.21Å; L574-C578 PolarHBondContact O-SG 3.42Å |
| 575 | A | 84.6 | Confident | 77 | Confident | 40 Ų | 40 | 99 Ų | 99 | 33% | 0.331 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L571 L572 N577 C578 F579 | L571-A575 VanDerWaalsContact O-CB 3.31Å; L571-A575 WeakPolarHBondContact O-CB 3.35Å; L571-A575 PolarHBondContact O-N 2.88Å; L572-A575 PolarHBondContact O-N 3.4Å; A575-N577 VanDerWaalsContact C-N 3.34Å; A575-N577 PolarHBondContact O-N 3.11Å; A575-C578 PolarHBondContact O-N 3.13Å; A575-F579 WeakPolarHBondContact O-CD2 3.12Å; A575-F579 PolarHBondContact O-N 2.95Å |
| 576 | T | 82 | Confident | 74.7 | Confident | 83 Ų | 83 | 98.2 Ų | 98.2 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | -179.7 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | L572 Y573 F579 S580 | L572-T576 WeakPolarHBondContact O-CG2 3.43Å; L572-T576 PolarHBondContact O-N 3.06Å; L572-T576 PolarHBondContact O-OG1 3.07Å; Y573-T576 PolarHBondContact O-OG1 3.46Å; T576-F579 PolarHBondContact O-N 3.19Å; T576-S580 PolarHBondContact O-N 3.37Å; T576-S580 VanDerWaalsContact O-N 3.07Å |
| 577 | N | 76.9 | Confident | 72.2 | Confident | 70 Ų | 70 | 100 Ų | 100 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.6 | -32.1 | 173.8 | -74.2 | -34.7 | 0 | 0 | 0 | 113.4 | Y573 A575 S580 W581 | Y573-N577 WeakPolarHBondContact CE1-ND2 3.46Å; Y573-N577 WeakPolarHBondContact O-CB 3.34Å; Y573-N577 PolarHBondContact O-N 3.11Å; Y573-N577 PolarHBondContact O-ND2 3.01Å; A575-N577 VanDerWaalsContact C-N 3.34Å; A575-N577 PolarHBondContact O-N 3.11Å; N577-S580 PolarHBondContact O-OG 3.08Å; N577-W581 PolarHBondContact O-N 3.28Å |
| 578 | C | 71.2 | Confident | 69.9 | Low | 60 Ų | 60 | 105.2 Ų | 105.2 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 169.3 | -73.2 | 0 | 0 | 0 | 0 | 111.4 | L574 A575 S580 W581 F582 | L574-C578 WeakPolarHBondContact O-CB 3.31Å; L574-C578 PolarHBondContact O-N 3.21Å; L574-C578 PolarHBondContact O-SG 3.42Å; A575-C578 PolarHBondContact O-N 3.13Å; C578-S580 PolarHBondContact O-N 2.73Å; C578-W581 PolarHBondContact O-N 2.73Å; C578-F582 WeakPolarHBondContact O-CD2 3.44Å; C578-F582 PolarHBondContact O-N 3.16Å |
| 579 | F | 60.9 | Low | 67.3 | Low | 147 Ų | 147 | 109.5 Ų | 109.5 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -37.1 | 176.1 | -79.8 | -61.9 | 0 | 0 | 0 | 112.8 | A575 T576 C583 | A575-F579 WeakPolarHBondContact O-CD2 3.12Å; A575-F579 PolarHBondContact O-N 2.95Å; T576-F579 PolarHBondContact O-N 3.19Å; F579-C583 VanDerWaalsContact O-CB 3.28Å; F579-C583 WeakPolarHBondContact O-CB 3.1Å; F579-C583 PolarHBondContact O-N 3.25Å; F579-C583 PolarHBondContact O-SG 3.08Å |
| 580 | S | 60.4 | Low | 64.5 | Low | 66 Ų | 66 | 110.7 Ų | 110.7 | 46% | 0.462 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.7 | -39.6 | 173.6 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | T576 N577 C578 Q584 | T576-S580 PolarHBondContact O-N 3.37Å; T576-S580 VanDerWaalsContact O-N 3.07Å; N577-S580 PolarHBondContact O-OG 3.08Å; C578-S580 PolarHBondContact O-N 2.73Å; S580-Q584 PolarHBondContact O-N 3.05Å |
| 581 | W | 56.7 | Low | 61.8 | Low | 169 Ų | 169 | 112.7 Ų | 112.7 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68 | -47.1 | 177.3 | -165.9 | 11.5 | 0 | 0 | 0 | 112.9 | N577 C578 C583 Q584 I585 | N577-W581 PolarHBondContact O-N 3.28Å; C578-W581 PolarHBondContact O-N 2.73Å; W581-C583 VanDerWaalsContact C-N 3.32Å; W581-C583 PolarHBondContact O-N 3.43Å; W581-Q584 PolarHBondContact O-N 3.11Å; W581-Q584 VanDerWaalsContact O-N 3.11Å; W581-I585 HydrophobicContact CG-CD1 4.37Å; W581-I585 PolarHBondContact O-N 3.45Å |
| 582 | F | 54.5 | Low | 59.3 | Low | 126 Ų | 126 | 116.2 Ų | 116.2 | 55% | 0.553 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.1 | -35.7 | 176.8 | -92.2 | -83.5 | 0 | 0 | 0 | 112.7 | C578 Q584 I585 N586 | C578-F582 WeakPolarHBondContact O-CD2 3.44Å; C578-F582 PolarHBondContact O-N 3.16Å; F582-Q584 VanDerWaalsContact C-N 3.31Å; F582-Q584 PolarHBondContact O-N 2.87Å; F582-I585 PolarHBondContact O-N 3.39Å; F582-N586 PolarHBondContact O-N 3.25Å; F582-N586 VanDerWaalsContact O-N 3.11Å |
| 583 | C | 51.9 | Low | 56.8 | Low | 80 Ų | 80 | 117.6 Ų | 117.6 | 54% | 0.541 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.6 | -25.8 | 173.9 | -75.8 | 0 | 0 | 0 | 0 | 113.5 | F579 W581 N587 | F579-C583 VanDerWaalsContact O-CB 3.28Å; F579-C583 WeakPolarHBondContact O-CB 3.1Å; F579-C583 PolarHBondContact O-N 3.25Å; F579-C583 PolarHBondContact O-SG 3.08Å; W581-C583 VanDerWaalsContact C-N 3.32Å; W581-C583 PolarHBondContact O-N 3.43Å; C583-N587 PolarHBondContact O-ND2 2.93Å |
| 584 | Q | 50.1 | Low | 54 | Low | 150 Ų | 150 | 117.3 Ų | 117.3 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.7 | -40 | 170.2 | -75.5 | -171.8 | -36.3 | 0 | 0 | 112.4 | S580 W581 F582 N587 | S580-Q584 PolarHBondContact O-N 3.05Å; W581-Q584 PolarHBondContact O-N 3.11Å; W581-Q584 VanDerWaalsContact O-N 3.11Å; F582-Q584 VanDerWaalsContact C-N 3.31Å; F582-Q584 PolarHBondContact O-N 2.87Å; Q584-N587 PolarHBondContact O-N 3.38Å |
| 585 | I | 52.2 | Low | 51.3 | Low | 87 Ų | 87 | 123.4 Ų | 123.4 | 45% | 0.446 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -63.6 | -45.5 | -179.9 | -68.5 | 167.9 | 0 | 0 | 0 | 111.6 | W581 F582 N587 H588 | W581-I585 HydrophobicContact CG-CD1 4.37Å; W581-I585 PolarHBondContact O-N 3.45Å; F582-I585 PolarHBondContact O-N 3.39Å; I585-N587 PolarHBondContact O-N 2.93Å; I585-H588 PolarHBondContact O-N 3.33Å |
| 586 | N | 44.8 | Very low | 48.8 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.8 | -23.2 | -178.6 | -81.7 | -15.6 | 0 | 0 | 0 | 114.1 | F582 H588 | F582-N586 PolarHBondContact O-N 3.25Å; F582-N586 VanDerWaalsContact O-N 3.11Å; N586-H588 VanDerWaalsContact C-N 3.27Å; N586-H588 PolarHBondContact O-N 2.95Å |
| 587 | N | 42.4 | Very low | 46.5 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -10.2 | 178.4 | -82.5 | -35.8 | 0 | 0 | 0 | 114.1 | C583 Q584 I585 | C583-N587 PolarHBondContact O-ND2 2.93Å; Q584-N587 PolarHBondContact O-N 3.38Å; I585-N587 PolarHBondContact O-N 2.93Å |
| 588 | H | 44.1 | Very low | 44.5 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 1.5 | -177.5 | -145.4 | -65.1 | 0 | 0 | 0 | 114.8 | I585 N586 | I585-H588 PolarHBondContact O-N 3.33Å; N586-H588 VanDerWaalsContact C-N 3.27Å; N586-H588 PolarHBondContact O-N 2.95Å |
| 589 | L | 38.6 | Very low | 42.8 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -118.4 | -0.1 | -176.3 | -129.3 | 76.7 | 0 | 0 | 0 | 116 | ||
| 590 | S | 34.7 | Very low | 41.4 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -117.1 | 45.9 | -179.1 | -158.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 591 | A | 33.8 | Very low | 40 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | trans | -118.8 | 45.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 592 | K | 38.1 | Very low | 38.9 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -145.8 | 92.6 | 172.5 | -107.6 | 167.2 | -174.8 | 173.3 | 0 | 113 | ||
| 593 | N | 37.6 | Very low | 37.6 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 49.7 | 101.8 | 153.1 | -54.7 | -22.6 | 0 | 0 | 0 | 117.4 | ||||
| 594 | L | 29.9 | Very low | 36.6 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | 46.7 | 104.4 | 65.3 | -65.7 | 101.2 | 0 | 0 | 0 | 116.1 | |||||
| 595 | R | 32.4 | Very low | 35.5 | Very low | 234 Ų | 234 | 147.3 Ų | 147.3 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | -156.6 | 126.4 | 106.4 | -93.5 | 163.1 | -169.7 | -155.1 | 1.8 | 106.5 | |||||
| 596 | K | 31.6 | Very low | 34.3 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 56.8 | 130.4 | 77.9 | -75.8 | -167.4 | 175.4 | -174.4 | 0 | 112.7 | |||||
| 597 | S | 34.4 | Very low | 33.6 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | cis | 178 | 154.3 | -3 | 39.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 598 | H | 35 | Very low | 32.7 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | 177.7 | 140.7 | 118.5 | -108.2 | -89.9 | 0 | 0 | 0 | 113.9 | |||||
| 599 | L | 33.8 | Very low | 32 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 57.6 | 159 | 166.7 | -87.6 | 68.5 | 0 | 0 | 0 | 117.9 | ||||
| 600 | G | 32.2 | Very low | 31.3 | Very low | 71 Ų | 71 | 153.5 Ų | 153.5 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | cis | 178.9 | 137.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 601 | S | 31 | Very low | 30.9 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -81.9 | 133.4 | -177.8 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 602 | H | 32.9 | Very low | 30.6 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | -178 | 136.6 | 122.2 | -113.5 | -113.8 | 0 | 0 | 0 | 114.1 | |||||
| 603 | G | 29 | Very low | 30.1 | Very low | 64 Ų | 64 | 149.8 Ų | 149.8 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | 67.3 | 112.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 604 | K | 29 | Very low | 29.9 | Very low | 204 Ų | 204 | 150.5 Ų | 150.5 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | 57.9 | 100.9 | 148.4 | -56.6 | -179.6 | -178.6 | -178.8 | 0 | 117.7 | F606 | K604-F606 PolarHBondContact O-N 3.32Š| ||
| 605 | W | 28.3 | Very low | 29.9 | Very low | 265 Ų | 265 | 149.1 Ų | 149.1 | 100% | 1.004 | 77% | 0.773 | S | S | * | * | trans | -86.3 | 100 | 166.7 | -93.2 | 7.9 | 0 | 0 | 0 | 112.9 | ||||
| 606 | F | 27.6 | Very low | 29.8 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -139.1 | 152.8 | 159.6 | -107.2 | -86.6 | 0 | 0 | 0 | 108.2 | K604 | K604-F606 PolarHBondContact O-N 3.32Š| ||
| 607 | S | 28.3 | Very low | 29.6 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 56.9 | 121 | 160.4 | 59.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 608 | W | 24.7 | Very low | 29.4 | Very low | 233 Ų | 233 | 144.5 Ų | 144.5 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | 93.2 | 133.8 | 126.9 | -75.3 | 18 | 0 | 0 | 0 | 122.1 | |||||
| 609 | I | 28.1 | Very low | 29 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | trans | 69.7 | 113.1 | 143.2 | -68.3 | 170.3 | 0 | 0 | 0 | 116.2 | ||||
| 610 | N | 25.5 | Very low | 28.9 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | cis | 96.7 | 133.5 | 42.7 | 180 | 41 | 0 | 0 | 0 | 113 | ||||
| 611 | S | 26.2 | Very low | 28.7 | Very low | 97 Ų | 97 | 149 Ų | 149 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 65.2 | 123.3 | 168 | -161.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 612 | S | 27.6 | Very low | 28.6 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 177 | 144.1 | 99.9 | -172.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 613 | N | 27.7 | Very low | 28.7 | Very low | 121 Ų | 121 | 144 Ų | 144 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | trans | -53.7 | 153.5 | 176.2 | -53 | -45.7 | 0 | 0 | 0 | 115.8 | ||||
| 614 | N | 33.7 | Very low | 28.9 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | -156.7 | 112.9 | 124.2 | -87.7 | -44.5 | 0 | 0 | 0 | 107.8 | |||||
| 615 | N | 29.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | 57.3 | 106.1 | 71 | -72.4 | -14.9 | 0 | 0 | 0 | 114.4 | |||||
| 616 | N | 29.6 | Very low | 29.4 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | 175.9 | 139.8 | 109.5 | -86.9 | -30.9 | 0 | 0 | 0 | 113.4 | |||||
| 617 | G | 28.6 | Very low | 29.7 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | trans | 85 | 150.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 618 | H | 29.3 | Very low | 29.9 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | cis | -160.1 | 128.4 | -6.5 | -151 | -134.3 | 0 | 0 | 0 | 112.5 | ||||
| 619 | L | 27.6 | Very low | 30.2 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | trans | 62.7 | 130.1 | 147.8 | -72.3 | -171.9 | 0 | 0 | 0 | 124.2 | ||||
| 620 | L | 29.7 | Very low | 30.5 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 76.5 | 148.5 | 139.8 | -62.4 | 168.4 | 0 | 0 | 0 | 119.6 | ||||
| 621 | R | 28.1 | Very low | 30.8 | Very low | 228 Ų | 228 | 132.7 Ų | 132.7 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | cis | -173.3 | 128.4 | -12.2 | 170.2 | -170.8 | -169.7 | 174.8 | 1.8 | 113.7 | ||||
| 622 | G | 29.1 | Very low | 31.1 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 69.7 | 163.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 623 | S | 36 | Very low | 31.3 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | cis | -158.6 | 130.3 | -10.1 | 45.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 624 | K | 32.1 | Very low | 31.5 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | 64.1 | 102.6 | 64.8 | -88.9 | -157.9 | 175.6 | -171.6 | 0 | 117.1 | |||||
| 625 | H | 35.9 | Very low | 31.6 | Very low | 179 Ų | 179 | 133 Ų | 133 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | -161.8 | 134.1 | 125.5 | -91.9 | -76.6 | 0 | 0 | 0 | 106.5 | |||||
| 626 | Q | 33.1 | Very low | 31.8 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | cis | 84.1 | 135.4 | 24.9 | -158.9 | -179.3 | -6.4 | 0 | 0 | 113 | ||||
| 627 | S | 32.7 | Very low | 31.9 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | cis | -111.9 | -143.5 | 4.3 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 628 | A | 33.8 | Very low | 32.1 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | cis | -170.8 | 167.4 | -8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 629 | M | 31.3 | Very low | 32.4 | Very low | 156 Ų | 156 | 132 Ų | 132 | 77% | 0.768 | 73% | 0.729 | S | S | * | * | cis | -167.7 | 147 | -33.8 | -119.8 | -172.2 | 167.6 | 0 | 0 | 111.3 | ||||
| 630 | N | 34 | Very low | 32.7 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | 68.7 | 159.3 | 146.1 | -61.7 | -1.9 | 0 | 0 | 0 | 119.8 | ||||
| 631 | N | 32.2 | Very low | 32.9 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | cis | -173.6 | 168.3 | -11.8 | -101.7 | 0.5 | 0 | 0 | 0 | 108.7 | ||||
| 632 | I | 32.2 | Very low | 33.2 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | cis | -164.9 | 158 | -25.8 | -116.6 | 174.9 | 0 | 0 | 0 | 108.9 | ||||
| 633 | G | 31.5 | Very low | 33.5 | Very low | 59 Ų | 59 | 125.7 Ų | 125.7 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | trans | 108.8 | 130 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 634 | S | 32.1 | Very low | 33.4 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | cis | 105.3 | 139.7 | 38.8 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 635 | H | 34.8 | Very low | 33.3 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | cis | -167.2 | 154.1 | 12.8 | -127.2 | -47.6 | 0 | 0 | 0 | 111.9 | ||||
| 636 | L | 33.5 | Very low | 33.3 | Very low | 146 Ų | 146 | 121.1 Ų | 121.1 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | 65.3 | 156.1 | 151.9 | -64 | 157.6 | 0 | 0 | 0 | 120 | ||||
| 637 | S | 32.1 | Very low | 33.2 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 58% | 0.58 | 72% | 0.723 | S | S | * | * | cis | -176.7 | 169.4 | -27.5 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 638 | N | 33.3 | Very low | 32.9 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | 76.4 | 150.3 | 161.7 | -72.9 | -4.2 | 0 | 0 | 0 | 118.7 | ||||
| 639 | Q | 34.8 | Very low | 32.8 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 67% | 0.673 | 72% | 0.721 | S | S | * | * | cis | 172.9 | 164.7 | -15.6 | -103.9 | 178.3 | 29.2 | 0 | 0 | 104.5 | ||||
| 640 | N | 33.8 | Very low | 32.8 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | cis | -162 | 145.6 | 4.3 | -125.9 | -15.3 | 0 | 0 | 0 | 113.1 | ||||
| 641 | G | 34.1 | Very low | 32.6 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | trans | 68.9 | 169.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 642 | N | 34.5 | Very low | 32.5 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 92% | 0.92 | 73% | 0.727 | S | S | * | * | cis | -172.7 | 157.4 | -25.6 | -110.2 | -1.9 | 0 | 0 | 0 | 112.8 | ||||
| 643 | G | 35.2 | Very low | 32.3 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | trans | 115.5 | 104.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 644 | L | 34.5 | Very low | 32.1 | Very low | 159 Ų | 159 | 130 Ų | 130 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | 79.2 | 111.5 | 65.6 | -65.6 | 169.8 | 0 | 0 | 0 | 113 | |||||
| 645 | D | 30.6 | Very low | 31.8 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | 88.5 | 146 | 66.8 | -91.6 | -17 | 0 | 0 | 0 | 113.5 | |||||
| 646 | A | 35.1 | Very low | 31.4 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 56% | 0.562 | 73% | 0.73 | S | S | * | * | cis | -172.4 | 169.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 647 | K | 30.9 | Very low | 31.2 | Very low | 193 Ų | 193 | 130 Ų | 130 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | 67.5 | 161.3 | 146.5 | -77.9 | 170.6 | 179.5 | 173.5 | 0 | 120.2 | ||||
| 648 | L | 26.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | cis | -170.5 | 177.7 | -26.6 | -159.6 | 130.5 | 0 | 0 | 0 | 109 | ||||
| 649 | L | 32.3 | Very low | 30.8 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | trans | 81 | 128.3 | 170.6 | -54.6 | 165.3 | 0 | 0 | 0 | 116 | ||||
| 650 | Q | 30 | Very low | 30.6 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | cis | 106.6 | 128.8 | -1.2 | -153.2 | -167.4 | -7.3 | 0 | 0 | 117.9 | ||||
| 651 | H | 30.1 | Very low | 30.3 | Very low | 164 Ų | 164 | 133 Ų | 133 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 71.4 | 145.2 | 169.4 | -75.7 | -65.1 | 0 | 0 | 0 | 120.9 | ||||
| 652 | G | 30.5 | Very low | 30.1 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 152.5 | 91.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 653 | D | 27.4 | Very low | 29.8 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -91.2 | 171.1 | -179.9 | -67.2 | -83.9 | 0 | 0 | 0 | 114.1 | ||||
| 654 | L | 27.5 | Very low | 29.4 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 109 | 124.7 | 140 | -132 | 78.3 | 0 | 0 | 0 | 121.1 | ||||
| 655 | E | 26.8 | Very low | 29.2 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | 63.5 | 108.4 | 141.3 | -85.6 | 163.9 | -155.4 | 0 | 0 | 124.5 | ||||
| 656 | T | 26.9 | Very low | 29 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | 49.8 | 125.5 | 127.7 | 59.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 657 | T | 28.9 | Very low | 28.7 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | -156.4 | 150.1 | 118.5 | 1.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 658 | C | 23.6 | Very low | 28.5 | Very low | 117 Ų | 117 | 130 Ų | 130 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -107.9 | 138.3 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 659 | T | 33.2 | Very low | 28.6 | Very low | 131 Ų | 131 | 130 Ų | 130 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 169.5 | 152.9 | 153.6 | 37.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 660 | T | 31.3 | Very low | 28.5 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | cis | -163.7 | 140.3 | -27.8 | 22.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 661 | F | 26.3 | Very low | 28.5 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | 54 | 148.1 | 148.3 | -83.9 | -93.8 | 0 | 0 | 0 | 122.6 | ||||
| 662 | A | 30.6 | Very low | 28.5 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | 70.3 | 143.8 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 663 | D | 27.1 | Very low | 28.7 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | cis | -167.1 | 170.2 | -29 | -140.7 | -41 | 0 | 0 | 0 | 109.8 | ||||
| 664 | T | 27.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | 65.9 | 158.5 | 149 | 56.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 665 | V | 29.6 | Very low | 28.6 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | trans | 81.2 | 95 | 149.1 | 167 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 666 | L | 27.2 | Very low | 28.6 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | 58.3 | 155.7 | 130.3 | -79.1 | 59.7 | 0 | 0 | 0 | 120.3 | ||||
| 667 | A | 27.8 | Very low | 28.4 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | cis | -179.4 | 176.5 | -26.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 668 | T | 26.8 | Very low | 28.5 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 24.5 | 117.3 | 146.5 | 56.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 669 | T | 30.2 | Very low | 28.6 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | -176.8 | 165.7 | 68.9 | 45 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 670 | T | 29 | Very low | 28.5 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | -160.1 | 158.1 | -16.5 | 21.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 671 | P | 31.2 | Very low | 28.3 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -88.4 | -174.8 | 177.3 | 37.8 | -37 | 0 | 0 | 0 | 113.5 | ||||
| 672 | M | 29.5 | Very low | 28.4 | Very low | 177 Ų | 177 | 124 Ų | 124 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | 88 | 159.8 | 159.4 | -106.6 | -163.2 | -179.1 | 0 | 0 | 117.5 | ||||
| 673 | P | 35.4 | Very low | 28.5 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | -136.7 | -160.4 | -94.7 | 44.7 | -27.9 | 0 | 0 | 0 | 114.3 | |||||
| 674 | S | 26 | Very low | 28.5 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 121.7 | 128.2 | 143.5 | 75.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 675 | Q | 25.2 | Very low | 28.6 | Very low | 162 Ų | 162 | 132 Ų | 132 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | 60.2 | 161.1 | 144.3 | -65.9 | -178 | -8 | 0 | 0 | 121.5 | ||||
| 676 | F | 27 | Very low | 29 | Very low | 202 Ų | 202 | 131.5 Ų | 131.5 | 89% | 0.886 | 76% | 0.755 | S | S | * | * | trans | 65.5 | 144.4 | -178.6 | -52.6 | -85.4 | 0 | 0 | 0 | 116.2 | ||||
| 677 | G | 24.1 | Very low | 29.1 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | cis | 148.3 | 54.8 | -6.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 678 | S | 29.9 | Very low | 29.2 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -168.1 | 141.2 | 166.8 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 679 | T | 25.3 | Very low | 29.4 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | cis | 87.8 | 59 | 11.5 | 82.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 680 | T | 30.7 | Very low | 29.6 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | -135 | 132 | 144.1 | 44.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 681 | I | 28.5 | Very low | 29.5 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | cis | 69.3 | 122.7 | 49.5 | -57.1 | 168.3 | 0 | 0 | 0 | 110.4 | ||||
| 682 | S | 28.4 | Very low | 29.3 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | cis | -144.8 | 178.1 | 6.8 | -142.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 683 | A | 32.2 | Very low | 29.2 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -144.2 | -177.7 | 5.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 684 | R | 27.4 | Very low | 28.7 | Very low | 212 Ų | 212 | 135.9 Ų | 135.9 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | cis | 69.6 | 125.2 | 25.1 | -69.4 | -170.3 | 175.6 | -173.6 | 1.5 | 115.1 | ||||
| 685 | R | 30 | Very low | 28.8 | Very low | 213 Ų | 213 | 137.3 Ų | 137.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | -152.1 | 166.5 | 6.1 | -111.7 | 179.9 | 178 | 179.3 | -1.6 | 111.7 | ||||
| 686 | P | 36.7 | Very low | 28.9 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | -100.5 | 177.6 | -177.2 | 40.9 | -35.7 | 0 | 0 | 0 | 114 | ||||
| 687 | N | 30.6 | Very low | 29.1 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | -159.9 | 129 | 156 | -102.2 | -12.8 | 0 | 0 | 0 | 114.6 | ||||
| 688 | I | 30 | Very low | 29.4 | Very low | 88 Ų | 88 | 134 Ų | 134 | 45% | 0.451 | 76% | 0.755 | S | S | . | * | trans | 23.1 | 136.7 | 147.5 | -63.8 | -179 | 0 | 0 | 0 | 121.4 | S777 T778 | I688-S777 WeakPolarHBondContact CG1-OG 3.49Å; I688-T778 WeakPolarHBondContact CD1-OG1 3.41Å | ||
| 689 | P | 31.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -89.5 | 161.9 | 180 | 37.6 | -37.6 | 0 | 0 | 0 | 115.5 | ||||
| 690 | Q | 33.7 | Very low | 29.8 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 94% | 0.935 | 75% | 0.753 | S | S | * | * | trans | -108.5 | 147.6 | 155 | -72.8 | -174.3 | -38.9 | 0 | 0 | 110.1 | ||||
| 691 | A | 27.4 | Very low | 29.7 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -101.3 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 692 | L | 26.1 | Very low | 29.8 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | 73.8 | 95.1 | 174.9 | -61.1 | 162.9 | 0 | 0 | 0 | 116.8 | ||||
| 693 | L | 28.4 | Very low | 29.9 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 173.4 | 100.5 | 131.5 | -90.5 | 155.4 | 0 | 0 | 0 | 106.3 | ||||
| 694 | L | 24.8 | Very low | 29.8 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | 53.9 | 114.6 | 88.6 | -79.7 | 169.3 | 0 | 0 | 0 | 114.6 | |||||
| 695 | T | 26.6 | Very low | 29.9 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 66.6 | 140.7 | 178.5 | 79.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 696 | T | 28 | Very low | 29.9 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -136.6 | 154.9 | 13.3 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 697 | V | 31.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -81.2 | 125.7 | 167.1 | 177.3 | 0 | 0 | 0 | 0 | 109 | N699 | V697-N699 PolarHBondContact O-N 2.89Å; V697-N699 VanDerWaalsContact O-N 3.15Å | ||
| 698 | P | 30.9 | Very low | 29.8 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -72.9 | 106.4 | 171 | 29.4 | -32 | 0 | 0 | 0 | 109.2 | P700 | P698-P700 WeakPolarHBondContact O-CD 3.45Š| ||
| 699 | N | 29.2 | Very low | 30.2 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116.6 | 175.9 | -171 | 22.8 | 0 | 0 | 0 | 109.7 | V697 R701 | V697-N699 PolarHBondContact O-N 2.89Å; V697-N699 VanDerWaalsContact O-N 3.15Å; N699-R701 PolarHBondContact O-N 2.94Å |
| 700 | P | 34.4 | Very low | 30.4 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.6 | 175.2 | 27.5 | -32.9 | 0 | 0 | 0 | 108.4 | P698 L702 | P698-P700 WeakPolarHBondContact O-CD 3.45Å; P700-L702 PolarHBondContact O-N 3.21Å |
| 701 | R | 29.3 | Very low | 30.5 | Very low | 237 Ų | 237 | 136.7 Ų | 136.7 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 129.1 | 178.5 | -75.3 | 179.7 | 171.8 | 161.6 | -1.7 | 109.2 | N699 E703 | N699-R701 PolarHBondContact O-N 2.94Å; R701-E703 PolarHBondContact O-N 3.2Å; R701-E703 VanDerWaalsContact O-N 3.17Å |
| 702 | L | 30.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -63.5 | 115.9 | 159.7 | -74.4 | 83.1 | 0 | 0 | 0 | 107.1 | P700 A704 | P700-L702 PolarHBondContact O-N 3.21Å; L702-A704 PolarHBondContact O-N 3.37Å | ||
| 703 | E | 30.4 | Very low | 31 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -74 | 77 | 160 | -69.4 | -168 | 140.2 | 0 | 0 | 108.1 | R701 N705 | R701-E703 PolarHBondContact O-N 3.2Å; R701-E703 VanDerWaalsContact O-N 3.17Å; E703-N705 PolarHBondContact O-N 3.07Å | ||
| 704 | A | 29.9 | Very low | 31 | Very low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -70.5 | 64.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L702 | L702-A704 PolarHBondContact O-N 3.37Š| ||
| 705 | N | 27.9 | Very low | 31.3 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -152.7 | 35.5 | 177.2 | -134.4 | 9.1 | 0 | 0 | 0 | 112.7 | E703 | E703-N705 PolarHBondContact O-N 3.07Š| ||
| 706 | S | 31.8 | Very low | 31.7 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -112.9 | 106.4 | 158.7 | 43.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 707 | T | 31.3 | Very low | 31.7 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 141.3 | 175.8 | 37.8 | 0 | 0 | 0 | 0 | 110.2 | P709 | T707-P709 WeakPolarHBondContact O-CD 3.31Š|
| 708 | P | 33.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 126.3 | 175.8 | 27.6 | -32.9 | 0 | 0 | 0 | 109.7 | ||
| 709 | P | 37.8 | Very low | 31.8 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 153.5 | 167.3 | 30 | -34.1 | 0 | 0 | 0 | 110 | T707 N711 | T707-P709 WeakPolarHBondContact O-CD 3.31Å; P709-N711 PolarHBondContact O-N 2.87Å |
| 710 | P | 34.8 | Very low | 32 | Very low | 134 Ų | 134 | 146 Ų | 146 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 126.5 | -179.2 | 26.7 | -34 | 0 | 0 | 0 | 111.8 | ||
| 711 | N | 35.6 | Very low | 31.6 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88 | 159.8 | 175.6 | -157.8 | 42 | 0 | 0 | 0 | 109.8 | P709 | P709-N711 PolarHBondContact O-N 2.87Š|
| 712 | P | 36.7 | Very low | 31.7 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | -125.4 | 170.3 | -65.2 | 35.9 | -22.5 | 0 | 0 | 0 | 112.2 | |||||
| 713 | A | 28.8 | Very low | 31.6 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 158.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 714 | Y | 28.2 | Very low | 31.6 | Very low | 224 Ų | 224 | 139.4 Ų | 139.4 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | 79.2 | 57.1 | -171.9 | -61.2 | -75.3 | 0 | 0 | 0 | 117.3 | ||||
| 715 | W | 30.7 | Very low | 31.5 | Very low | 226 Ų | 226 | 140.5 Ų | 140.5 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -119.4 | 122.6 | 140.9 | -76 | 69.5 | 0 | 0 | 0 | 107.9 | M717 | W715-M717 PolarHBondContact O-N 3.41Š| ||
| 716 | P | 33.6 | Very low | 31.7 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 60% | 0.604 | 80% | 0.797 | S | S | * | * | trans | -73.7 | 110 | 171.3 | 29.1 | -31.1 | 0 | 0 | 0 | 109.2 | ||||
| 717 | M | 29.6 | Very low | 31.5 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -66.4 | 130.3 | 171.4 | -166.6 | 91 | 77.3 | 0 | 0 | 108.9 | W715 E719 | W715-M717 PolarHBondContact O-N 3.41Å; M717-E719 PolarHBondContact O-N 2.88Å | ||
| 718 | P | 34.6 | Very low | 31.5 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 62% | 0.617 | 80% | 0.802 | S | S | * | * | trans | -67.5 | 130.8 | 172.6 | 27.9 | -33.4 | 0 | 0 | 0 | 110.1 | Y720 | P718-Y720 PolarHBondContact O-N 2.95Š| ||
| 719 | E | 29.3 | Very low | 31.3 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -66.8 | 114.5 | -179.6 | -65.1 | -175.8 | 144 | 0 | 0 | 111.3 | M717 | M717-E719 PolarHBondContact O-N 2.88Š| ||
| 720 | Y | 32.1 | Very low | 31 | Very low | 211 Ų | 211 | 147.1 Ų | 147.1 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -114.4 | 107 | 160.8 | -80.7 | -85.4 | 0 | 0 | 0 | 108.4 | P718 Y722 | P718-Y720 PolarHBondContact O-N 2.95Å; Y720-Y722 PolarHBondContact O-N 3.04Å | ||
| 721 | A | 27.5 | Very low | 30.8 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -68.2 | 117.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 722 | Y | 30.1 | Very low | 30.5 | Very low | 229 Ų | 229 | 146.8 Ų | 146.8 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -135.6 | 126.7 | 161.7 | -124.6 | -88.8 | 0 | 0 | 0 | 110.3 | Y720 | Y720-Y722 PolarHBondContact O-N 3.04Š| ||
| 723 | S | 29.3 | Very low | 30.2 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -89.5 | 143.4 | -175.8 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 724 | G | 30.6 | Very low | 30.3 | Very low | 79 Ų | 79 | 155.2 Ų | 155.2 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 148.1 | 117.8 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 725 | A | 28.5 | Very low | 30.5 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 96% | 0.959 | 82% | 0.815 | S | S | * | * | trans | -80.8 | 139.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 726 | G | 30.3 | Very low | 30.4 | Very low | 78 Ų | 78 | 147.3 Ų | 147.3 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -176 | 85.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 727 | S | 28.2 | Very low | 30 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -79.6 | 129.9 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 728 | H | 32.3 | Very low | 30 | Very low | 188 Ų | 188 | 150 Ų | 150 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | trans | -152.2 | 150.9 | 146 | -115.4 | -76.1 | 0 | 0 | 0 | 111.4 | ||||
| 729 | E | 28.9 | Very low | 29.6 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 77% | 0.766 | 84% | 0.839 | S | S | * | * | trans | -124.5 | 140.2 | -163.2 | 171.9 | 177.7 | -145.6 | 0 | 0 | 109.8 | ||||
| 730 | Y | 30.8 | Very low | 29.6 | Very low | 220 Ų | 220 | 152.2 Ų | 152.2 | 86% | 0.863 | 84% | 0.837 | S | S | * | * | trans | -153.5 | 143 | 166 | -94.2 | -63.7 | 0 | 0 | 0 | 112.6 | ||||
| 731 | D | 30.9 | Very low | 29.4 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 83% | 0.828 | S | S | * | * | trans | -75.8 | 159.3 | -166.5 | -70.5 | -81.4 | 0 | 0 | 0 | 117.4 | ||||
| 732 | V | 28.9 | Very low | 29.4 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -125.1 | 109.3 | 159.2 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 733 | P | 31.6 | Very low | 29.3 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -82.6 | 142.6 | -176 | 31.4 | -34.4 | 0 | 0 | 0 | 113.7 | ||||
| 734 | R | 29.5 | Very low | 29.1 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -105.8 | 143 | 168.1 | -84.5 | -176.4 | -79.4 | 171.9 | -7.2 | 111.5 | ||||
| 735 | P | 32.4 | Very low | 28.9 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -118.6 | 120.5 | 143.4 | 13.6 | 6.4 | 0 | 0 | 0 | 109.6 | ||||
| 736 | L | 29.5 | Very low | 28.8 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | 67.9 | 106.9 | 75.2 | -82.9 | 164.6 | 0 | 0 | 0 | 113.8 | |||||
| 737 | E | 25 | Very low | 28.6 | Very low | 180 Ų | 180 | 156 Ų | 156 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 142.4 | 167.1 | -57.6 | 179.4 | 135 | 0 | 0 | 111.1 | ||||
| 738 | T | 29.9 | Very low | 28.9 | Very low | 142 Ų | 142 | 156.7 Ų | 156.7 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -142.7 | 142.2 | 149.6 | 37.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 739 | F | 26.5 | Very low | 28.6 | Very low | 195 Ų | 195 | 150.6 Ų | 150.6 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -66.4 | 151.5 | -175.1 | -74.1 | -116 | 0 | 0 | 0 | 113.7 | ||||
| 740 | V | 29.3 | Very low | 28.5 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | 175.9 | 153.3 | 110.1 | 153.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 741 | G | 27 | Very low | 28.3 | Very low | 62 Ų | 62 | 146 Ų | 146 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | -83.5 | -170.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 742 | E | 28.8 | Very low | 28.3 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | cis | -150.5 | 173.2 | 8.6 | -65.3 | -169 | 81.3 | 0 | 0 | 113.2 | ||||
| 743 | R | 26.6 | Very low | 28.2 | Very low | 215 Ų | 215 | 147.4 Ų | 147.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 13.1 | 148.9 | 135.9 | -63.2 | 176.9 | 173.2 | 173.5 | -1.3 | 119.9 | ||||
| 744 | C | 25.8 | Very low | 28.3 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 69% | 0.689 | 79% | 0.789 | S | S | * | * | cis | -175.9 | 169.1 | -0.6 | -116.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 745 | I | 26.1 | Very low | 28.3 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | 73.3 | 115.1 | 141.1 | -71.7 | 164.5 | 0 | 0 | 0 | 121.6 | ||||
| 746 | L | 26 | Very low | 28.1 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | 42.8 | 157.3 | 125.8 | -52.1 | 176.1 | 0 | 0 | 0 | 121.7 | |||||
| 747 | K | 27.1 | Very low | 28.1 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | cis | -155.9 | -152 | 19.5 | -137.8 | -176.3 | -178.7 | -179.4 | 0 | 111.1 | ||||
| 748 | P | 33.6 | Very low | 28.4 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | trans | -130.2 | 176.8 | -143 | 42.3 | -20.3 | 0 | 0 | 0 | 119.3 | ||||
| 749 | G | 26.4 | Very low | 28.4 | Very low | 61 Ų | 61 | 139.3 Ų | 139.3 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | -168.9 | 138.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 750 | L | 26.2 | Very low | 28.7 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | 60.9 | 124.7 | 63.7 | -59.2 | 174.3 | 0 | 0 | 0 | 111.5 | |||||
| 751 | T | 26.4 | Very low | 28.8 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | cis | -160.1 | -175.4 | 8.7 | -6.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 752 | E | 31.4 | Very low | 28.8 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 76 | 160 | 163.4 | -49.8 | -156.3 | 143.4 | 0 | 0 | 118 | ||||
| 753 | N | 26.8 | Very low | 28.9 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | -172.5 | 152.1 | -54 | -112.4 | -20.7 | 0 | 0 | 0 | 107.3 | |||||
| 754 | N | 33.6 | Very low | 28.9 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 109.7 | 143.3 | 173 | -66 | -47.2 | 0 | 0 | 0 | 116.1 | ||||
| 755 | S | 29.1 | Very low | 29.1 | Very low | 85 Ų | 85 | 136.6 Ų | 136.6 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | cis | -176 | 154.3 | -45.7 | 39 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 756 | L | 28.8 | Very low | 29.1 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 57.6 | 104.3 | 160.9 | -66.6 | 154.4 | 0 | 0 | 0 | 119.3 | ||||
| 757 | N | 30.3 | Very low | 29.1 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | -163.7 | 137 | 106 | -115.4 | -21.6 | 0 | 0 | 0 | 112.8 | |||||
| 758 | P | 31 | Very low | 29.2 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -115.9 | 122.4 | -177.1 | 37.5 | -27 | 0 | 0 | 0 | 115.7 | ||||
| 759 | S | 30.4 | Very low | 29 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -167.1 | 153.1 | 153.1 | 61.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 760 | A | 32.3 | Very low | 29 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | cis | -138.5 | -175.5 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 761 | A | 30.4 | Very low | 29.1 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -40 | 130.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 762 | Q | 27.5 | Very low | 29.1 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | 63.7 | 105.6 | 70.3 | -72.8 | -163.2 | -1.7 | 0 | 0 | 115.5 | F764 | Q762-F764 HydrophobicContact CG-CE2 4.13Š| |||
| 763 | S | 31.1 | Very low | 28.9 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -141 | 101.9 | 147.7 | -78.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 764 | F | 26 | Very low | 28.8 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 75% | 0.746 | 81% | 0.805 | S | S | * | * | trans | -81.4 | 131.1 | 177.6 | -82.6 | -105.7 | 0 | 0 | 0 | 110.6 | Q762 | Q762-F764 HydrophobicContact CG-CE2 4.13Š| ||
| 765 | L | 30.7 | Very low | 28.5 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -170.3 | 103.1 | 130.3 | -106.9 | 170.8 | 0 | 0 | 0 | 110.9 | ||||
| 766 | S | 26.8 | Very low | 28.5 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | trans | -136.2 | 105.4 | 167.6 | 59.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 767 | L | 26.2 | Very low | 28.5 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -170.3 | 160.3 | 154.2 | -129.2 | 67.3 | 0 | 0 | 0 | 110.7 | ||||
| 768 | A | 28.9 | Very low | 28.4 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 64.3 | 133.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 769 | A | 28.9 | Very low | 28.6 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | cis | -126.3 | 113.3 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 770 | Q | 25.7 | Very low | 28.4 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -94.6 | 100.7 | 149.2 | -68.2 | -179 | 8.1 | 0 | 0 | 107.1 | L772 | Q770-L772 PolarHBondContact O-N 3.46Š| ||
| 771 | S | 29.2 | Very low | 28.3 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -94.1 | 88 | 172 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 772 | L | 25.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -71.3 | 161.4 | -179.7 | -78 | 157.9 | 0 | 0 | 0 | 112.8 | Q770 | Q770-L772 PolarHBondContact O-N 3.46Š| ||
| 773 | F | 26.7 | Very low | 28.3 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -54.7 | 142.2 | 173.9 | -62 | -95.6 | 0 | 0 | 0 | 112.6 | M775 | F773-M775 PolarHBondContact O-N 3.03Š| ||
| 774 | P | 26.2 | Very low | 28.1 | Very low | 133 Ų | 133 | 144 Ų | 144 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -76.3 | 87.9 | 170.6 | 31.9 | -33.8 | 0 | 0 | 0 | 110.7 | ||||
| 775 | M | 25.9 | Very low | 28.2 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | trans | -125.7 | 107.8 | 162.7 | -90.8 | -70.7 | 178.5 | 0 | 0 | 109 | F773 | F773-M775 PolarHBondContact O-N 3.03Š| ||
| 776 | N | 30.5 | Very low | 28 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -142.8 | 148.9 | 172.4 | -155.9 | -2 | 0 | 0 | 0 | 109.6 | ||||
| 777 | S | 27.1 | Very low | 28.2 | Very low | 52 Ų | 52 | 139.5 Ų | 139.5 | 36% | 0.364 | 78% | 0.775 | S | S | . | * | trans | -136.6 | 161.6 | -168.8 | 6.9 | 0 | 0 | 0 | 0 | 113.7 | I688 | I688-S777 WeakPolarHBondContact CG1-OG 3.49Š| ||
| 778 | T | 29.1 | Very low | 28.4 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 49% | 0.491 | 77% | 0.774 | S | S | . | * | trans | 28 | 123 | 168.8 | 67 | 0 | 0 | 0 | 0 | 119.9 | I688 | I688-T778 WeakPolarHBondContact CD1-OG1 3.41Š| ||
| 779 | Q | 35.1 | Very low | 28.8 | Very low | 202 Ų | 202 | 140.1 Ų | 140.1 | 94% | 0.944 | 76% | 0.764 | S | S | * | * | -110.6 | 162.8 | 123.2 | -77.8 | -156.1 | -6.2 | 0 | 0 | 110.2 | |||||
| 780 | L | 26.3 | Very low | 28.7 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -142.2 | 105.3 | -168.4 | -161.2 | 175.8 | 0 | 0 | 0 | 110 | ||||
| 781 | N | 30.8 | Very low | 28.7 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -149.8 | 107.5 | 163.6 | -128.7 | 2.7 | 0 | 0 | 0 | 104.2 | ||||
| 782 | R | 25.5 | Very low | 28.6 | Very low | 208 Ų | 208 | 138.5 Ų | 138.5 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | 78.6 | 134.9 | 58.9 | -158.9 | -175.6 | -175.5 | 162.7 | 4.4 | 111 | |||||
| 783 | N | 30.9 | Very low | 28.6 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | 73.4 | 134.7 | -167.8 | -48.1 | 9 | 0 | 0 | 0 | 113.1 | ||||
| 784 | D | 28 | Very low | 28.7 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | cis | -156.4 | 169.1 | -20.9 | -116 | -41.3 | 0 | 0 | 0 | 112.7 | ||||
| 785 | V | 28 | Very low | 28.7 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 13 | 133.9 | 155.1 | -177.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 786 | G | 27.4 | Very low | 29 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 151.5 | 72.9 | 146 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 787 | N | 30.3 | Very low | 28.8 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 20.7 | 110.4 | 143.6 | -62.3 | -5.8 | 0 | 0 | 0 | 122 | ||||
| 788 | Q | 30.2 | Very low | 29.2 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | 67.3 | 166.2 | 120.4 | -86.1 | -155.2 | -26.9 | 0 | 0 | 121.6 | |||||
| 789 | P | 36.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | trans | -116.1 | 176.3 | -147.8 | 44 | -36.5 | 0 | 0 | 0 | 115.4 | ||||
| 790 | N | 27.2 | Very low | 28.9 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | 179.9 | 151 | 128.1 | -93 | -36.3 | 0 | 0 | 0 | 114 | |||||
| 791 | N | 25.7 | Very low | 29 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 33.5 | 143.6 | 142.1 | -53.8 | -22.4 | 0 | 0 | 0 | 123.6 | ||||
| 792 | G | 28.2 | Very low | 28.9 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | 127.3 | 102.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 793 | I | 25 | Very low | 29.1 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | cis | 79.3 | 139.7 | 46.2 | -51.4 | 175.8 | 0 | 0 | 0 | 112.6 | ||||
| 794 | F | 28.9 | Very low | 28.8 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 75.1 | 112 | -169.9 | -54 | -72.1 | 0 | 0 | 0 | 114 | ||||
| 795 | Q | 26.9 | Very low | 28.9 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | 69.4 | 107.7 | 50.9 | -63.1 | -173.2 | -50.8 | 0 | 0 | 114.9 | |||||
| 796 | A | 32.7 | Very low | 28.7 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | -154.8 | 144.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 797 | S | 25.8 | Very low | 28.6 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -126.2 | 148.5 | -174.9 | 54 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 798 | A | 34.1 | Very low | 28.5 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -144.5 | 134 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 799 | N | 27.7 | Very low | 28.2 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -112.2 | -171.8 | -177.8 | -81.9 | -28.6 | 0 | 0 | 0 | 110.4 | ||||
| 800 | I | 30.3 | Very low | 27.8 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 82.3 | 127.8 | 162.7 | -52.3 | 175.6 | 0 | 0 | 0 | 112.8 | ||||
| 801 | A | 29.9 | Very low | 27.7 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | cis | -152.7 | 162.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 802 | P | 27.3 | Very low | 27.9 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -74.4 | 147.1 | 160.5 | 33.9 | -34 | 0 | 0 | 0 | 110.7 | ||||
| 803 | L | 29.9 | Very low | 28.2 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -116.2 | 116.9 | 172.3 | -95 | 168 | 0 | 0 | 0 | 111.4 | ||||
| 804 | T | 26.1 | Very low | 28.4 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -72.7 | 150.3 | 158.1 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 805 | M | 28.6 | Very low | 28.5 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 96% | 0.956 | 79% | 0.791 | S | S | * | * | trans | -134.7 | 151.6 | 150.6 | -84.5 | -154.3 | 163.9 | 0 | 0 | 110.1 | ||||
| 806 | Q | 24.9 | Very low | 28.6 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -140.4 | 136.2 | -153.6 | -176.7 | 179.4 | -17.8 | 0 | 0 | 109.6 | ||||
| 807 | W | 23.9 | Very low | 28.4 | Very low | 209 Ų | 209 | 140.5 Ų | 140.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | 13.4 | 122.3 | 160.9 | -68.3 | 80.2 | 0 | 0 | 0 | 119.5 | Q809 | W807-Q809 HydrophobicContact CE3-CG 4.01Å; W807-Q809 HydrophobicContact CZ3-CG 4.28Å | ||
| 808 | T | 29.2 | Very low | 28.5 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | trans | -126 | 140.6 | 143.6 | 45.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 809 | Q | 24.5 | Very low | 28.1 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | trans | -116.1 | 139.7 | 177.8 | -66.1 | 176.2 | -37.2 | 0 | 0 | 110.2 | W807 | W807-Q809 HydrophobicContact CE3-CG 4.01Å; W807-Q809 HydrophobicContact CZ3-CG 4.28Å | ||
| 810 | T | 27.6 | Very low | 28.3 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -145.1 | 119.5 | 155.5 | 32.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 811 | M | 25.5 | Very low | 28.3 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | 68.5 | 126.8 | 77.5 | -66.4 | -90.8 | 179 | 0 | 0 | 112 | |||||
| 812 | N | 29 | Very low | 28.6 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | cis | -163.8 | -153.8 | -6.3 | -135.3 | 4.8 | 0 | 0 | 0 | 109.6 | ||||
| 813 | P | 35.2 | Very low | 28.7 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | -132.3 | -163.8 | -91.2 | 32.4 | -8.5 | 0 | 0 | 0 | 116.7 | |||||
| 814 | V | 29.1 | Very low | 28.7 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 62% | 0.624 | 75% | 0.746 | S | S | * | * | trans | 94.4 | 89.5 | 149.6 | -158.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 815 | N | 31.4 | Very low | 28.7 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | 179.3 | 124.8 | 107.4 | -92.7 | -43.3 | 0 | 0 | 0 | 108.4 | |||||
| 816 | K | 27.4 | Very low | 28.7 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | 66.4 | 125.3 | 66.2 | -66.1 | -173.8 | 178.1 | 179.8 | 0 | 112.2 | |||||
| 817 | T | 28.6 | Very low | 28.9 | Very low | 117 Ų | 117 | 141 Ų | 141 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | cis | -163.1 | 155.4 | 10.3 | -1.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 818 | L | 28.5 | Very low | 29.2 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 61 | 112.2 | 156.6 | -57.4 | 163.5 | 0 | 0 | 0 | 117.3 | ||||
| 819 | T | 26.2 | Very low | 29.2 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | 53.9 | 128.7 | 69.1 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 820 | I | 31.4 | Very low | 29.3 | Very low | 165 Ų | 165 | 137 Ų | 137 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | -137.8 | 153.6 | 65.9 | -76.8 | 155.3 | 0 | 0 | 0 | 112.7 | |||||
| 821 | N | 31 | Very low | 29.3 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 63% | 0.631 | 74% | 0.738 | S | S | * | * | trans | -122.9 | 158.1 | 176.9 | -151.4 | 3.8 | 0 | 0 | 0 | 109.1 | I823 | N821-I823 HydrophobicContact CB-CD1 4.31Å; N821-I823 HydrophobicContact CB-CG1 4.29Å | ||
| 822 | P | 35.7 | Very low | 29.4 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | -132.9 | 137.5 | 104.5 | 11.7 | 10 | 0 | 0 | 0 | 112.4 | |||||
| 823 | I | 28.3 | Very low | 29.3 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 59% | 0.585 | 73% | 0.732 | S | S | * | * | 63.8 | 117.9 | 58.7 | -52.2 | 160.7 | 0 | 0 | 0 | 108.9 | N821 | N821-I823 HydrophobicContact CB-CD1 4.31Å; N821-I823 HydrophobicContact CB-CG1 4.29Å | |||
| 824 | I | 31 | Very low | 29.1 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | -141.9 | 115.4 | 61.2 | -67.9 | 154 | 0 | 0 | 0 | 107.5 | |||||
| 825 | S | 25.9 | Very low | 28.9 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 56% | 0.559 | 74% | 0.74 | S | S | * | * | 51.3 | 146.7 | 76.4 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 826 | W | 28.8 | Very low | 28.7 | Very low | 236 Ų | 236 | 134.9 Ų | 134.9 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | cis | -143.4 | 166.7 | 44.5 | -85.8 | 69.9 | 0 | 0 | 0 | 113.4 | ||||
| 827 | Q | 28.9 | Very low | 28.7 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -103.8 | 154.8 | -170.4 | -60.9 | 164.5 | -87.2 | 0 | 0 | 113.3 | ||||
| 828 | P | 29.5 | Very low | 28.7 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -82.3 | 148.7 | 161.6 | 34.7 | -32.9 | 0 | 0 | 0 | 111.4 | ||||
| 829 | N | 29.9 | Very low | 28.6 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -147.3 | 103.3 | 165.8 | -103.7 | -33.4 | 0 | 0 | 0 | 113.8 | ||||
| 830 | L | 26.7 | Very low | 28.7 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | trans | -8.6 | 145.5 | 150.8 | -84.5 | 152 | 0 | 0 | 0 | 121.7 | ||||
| 831 | V | 28.4 | Very low | 28.5 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | trans | 71.6 | 136.7 | 155.4 | -179.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 832 | G | 26.1 | Very low | 28.2 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -171.3 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 833 | S | 27.1 | Very low | 27.9 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 71.2 | 167.1 | 177.9 | 82.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 834 | H | 30.4 | Very low | 27.8 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | 58.5 | 98 | 163.2 | -65.8 | -56.8 | 0 | 0 | 0 | 122.3 | ||||
| 835 | N | 26.1 | Very low | 27.7 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | 59.2 | 133.2 | 121.8 | -62.6 | 4.3 | 0 | 0 | 0 | 121.8 | |||||
| 836 | S | 26.7 | Very low | 27.7 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 64.9 | 139.8 | 150.7 | 42.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 837 | S | 26.9 | Very low | 27.6 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | cis | -174.3 | 174.8 | -6.9 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 838 | I | 29.3 | Very low | 27.5 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | 70.3 | 101.9 | 161.5 | -66.3 | 157.6 | 0 | 0 | 0 | 113.4 | ||||
| 839 | L | 27 | Very low | 27.3 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | 86.9 | 125.4 | 74.2 | -111.5 | 87.3 | 0 | 0 | 0 | 113.8 | |||||
| 840 | T | 26.9 | Very low | 27.1 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 62 | 149.7 | 154.3 | 47.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 841 | D | 27.7 | Very low | 27.2 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -143.2 | -179.2 | 23 | -152.4 | -11.2 | 0 | 0 | 0 | 113.7 | ||||
| 842 | R | 24.5 | Very low | 27 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -68.1 | 147.1 | 173.4 | -62.6 | 153.8 | 141.9 | 161.7 | -8.5 | 111.5 | ||||
| 843 | Q | 30.8 | Very low | 27.1 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | -171.9 | 155.9 | 101.1 | -101 | -179.8 | 12.8 | 0 | 0 | 113.8 | |||||
| 844 | T | 25.3 | Very low | 27 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -71.4 | 143.4 | 176.5 | 48 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 845 | Q | 29.7 | Very low | 26.9 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | -158 | 178.9 | 125.6 | -113.4 | 174.7 | 21.5 | 0 | 0 | 112.2 | |||||
| 846 | N | 24.1 | Very low | 26.8 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -127.7 | 172.6 | -148.1 | -153.1 | -2.9 | 0 | 0 | 0 | 112.8 | ||||
| 847 | S | 27.1 | Very low | 26.8 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 72.5 | 143.2 | 173.3 | 76.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 848 | G | 26.7 | Very low | 26.8 | Very low | 59 Ų | 59 | 146 Ų | 146 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | cis | 165.5 | 163.2 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 849 | Y | 25.3 | Very low | 26.7 | Very low | 221 Ų | 221 | 146.9 Ų | 146.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | 63.8 | 150.1 | 172.2 | -60.1 | -96.5 | 0 | 0 | 0 | 115.4 | ||||
| 850 | T | 26.7 | Very low | 26.7 | Very low | 108 Ų | 108 | 150 Ų | 150 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | cis | -161.6 | 160.4 | -17.9 | 17.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 851 | N | 29.4 | Very low | 26.7 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | -154.6 | 160 | 35.2 | -89.4 | -51.6 | 0 | 0 | 0 | 110.6 | ||||
| 852 | Q | 24.1 | Very low | 26.7 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -111.7 | 146.4 | 158.7 | -66 | 175.4 | -69 | 0 | 0 | 110 | ||||
| 853 | P | 27 | Very low | 26.9 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -90.9 | 134.7 | 146.5 | 33.6 | -27.6 | 0 | 0 | 0 | 109.8 | ||||
| 854 | S | 24.2 | Very low | 26.8 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -90.8 | 127.8 | -175.9 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 855 | T | 28.8 | Very low | 26.9 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -128.2 | 117.2 | 161.5 | 50.9 | 0 | 0 | 0 | 0 | 109.7 | S857 | T855-S857 PolarHBondContact O-N 3.2Å; T855-S857 VanDerWaalsContact O-N 3.08Å | ||
| 856 | Q | 24.8 | Very low | 26.7 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -79.5 | 86 | 179.8 | -70.2 | -176.6 | -36.5 | 0 | 0 | 110.9 | I858 | Q856-I858 PolarHBondContact O-N 3.24Š| ||
| 857 | S | 26.8 | Very low | 26.7 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -72.3 | 118.2 | 162.2 | 46.6 | 0 | 0 | 0 | 0 | 109.3 | T855 L859 | T855-S857 PolarHBondContact O-N 3.2Å; T855-S857 VanDerWaalsContact O-N 3.08Å; S857-L859 PolarHBondContact O-N 3.08Å | ||
| 858 | I | 27 | Very low | 26.7 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | trans | -74.7 | 92.4 | 177.6 | -59.5 | 178 | 0 | 0 | 0 | 108.3 | Q856 Y860 | Q856-I858 PolarHBondContact O-N 3.24Å; I858-Y860 HydrophobicContact CG2-CD2 3.93Å; I858-Y860 HydrophobicContact CG2-CE2 3.71Å; I858-Y860 PolarHBondContact O-N 2.89Å; I858-Y860 VanDerWaalsContact O-N 3.08Å | ||
| 859 | L | 26 | Very low | 26.7 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -74.7 | 93.3 | 176.5 | -167.9 | 77.9 | 0 | 0 | 0 | 109.6 | S857 S861 | S857-L859 PolarHBondContact O-N 3.08Å; L859-S861 PolarHBondContact O-N 2.95Å | ||
| 860 | Y | 28.4 | Very low | 26.8 | Very low | 209 Ų | 209 | 148.2 Ų | 148.2 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 105.8 | 170.4 | -86.3 | -85.2 | 0 | 0 | 0 | 110.2 | I858 | I858-Y860 HydrophobicContact CG2-CD2 3.93Å; I858-Y860 HydrophobicContact CG2-CE2 3.71Å; I858-Y860 PolarHBondContact O-N 2.89Å; I858-Y860 VanDerWaalsContact O-N 3.08Å | ||
| 861 | S | 26.8 | Very low | 26.7 | Very low | 100 Ų | 100 | 153.9 Ų | 153.9 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -68 | 141.6 | 171.2 | -163.7 | 0 | 0 | 0 | 0 | 110.4 | L859 D863 | L859-S861 PolarHBondContact O-N 2.95Å; S861-D863 PolarHBondContact O-N 2.66Å; S861-D863 VanDerWaalsContact O-N 3.11Å | ||
| 862 | A | 28 | Very low | 26.8 | Very low | 98 Ų | 98 | 152.5 Ų | 152.5 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -89.6 | 62.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 863 | D | 28.4 | Very low | 26.8 | Very low | 139 Ų | 139 | 153.7 Ų | 153.7 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | -143.5 | 75.1 | 175.7 | -81.8 | -58.5 | 0 | 0 | 0 | 111.5 | S861 | S861-D863 PolarHBondContact O-N 2.66Å; S861-D863 VanDerWaalsContact O-N 3.11Å | ||
| 864 | Y | 28.2 | Very low | 27 | Very low | 229 Ų | 229 | 151.8 Ų | 151.8 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -148 | 132.6 | 164.5 | -106.6 | -82.4 | 0 | 0 | 0 | 111.3 | ||||
| 865 | P | 27.6 | Very low | 27.3 | Very low | 110 Ų | 110 | 152.4 Ų | 152.4 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -72.4 | 161.2 | 177.6 | 30.2 | -35.8 | 0 | 0 | 0 | 112.5 | Y867 | P865-Y867 PolarHBondContact O-N 3.25Š| ||
| 866 | T | 25.3 | Very low | 27.5 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -40.5 | 118.6 | 170.5 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 867 | Y | 24.8 | Very low | 28 | Very low | 218 Ų | 218 | 152.2 Ų | 152.2 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | 177.5 | 64 | 140 | -92.1 | -57 | 0 | 0 | 0 | 112.1 | P865 | P865-Y867 PolarHBondContact O-N 3.25Š| ||
| 868 | L | 26.8 | Very low | 28.5 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -130.9 | 93.6 | 159.6 | -81.6 | 178.9 | 0 | 0 | 0 | 110 | T870 | L868-T870 PolarHBondContact O-N 2.97Š| ||
| 869 | Q | 25.2 | Very low | 28.9 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -68.4 | 97.3 | 161.6 | -73.1 | 177 | -43.1 | 0 | 0 | 108.5 | R871 | Q869-R871 PolarHBondContact O-N 3.49Š| ||
| 870 | T | 29 | Very low | 29.4 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -57.7 | 107.7 | 149.4 | 39.7 | 0 | 0 | 0 | 0 | 106.4 | L868 | L868-T870 PolarHBondContact O-N 2.97Š| ||
| 871 | R | 24.3 | Very low | 29.9 | Very low | 227 Ų | 227 | 140.5 Ų | 140.5 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 133.2 | -179.1 | -69.2 | -178.6 | 179.3 | 176.5 | -0.5 | 108.4 | Q869 Y873 | Q869-R871 PolarHBondContact O-N 3.49Å; R871-Y873 PolarHBondContact O-N 3.47Å |
| 872 | P | 30.4 | Very low | 30.6 | Very low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -57 | 136.1 | 165.8 | 26.4 | -33.2 | 0 | 0 | 0 | 108 | ||
| 873 | Y | 25.7 | Very low | 31.1 | Very low | 209 Ų | 209 | 143.9 Ų | 143.9 | 82% | 0.82 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 128.7 | 171.8 | -120.1 | -91.3 | 0 | 0 | 0 | 107.9 | R871 H875 | R871-Y873 PolarHBondContact O-N 3.47Å; Y873-H875 PolarHBondContact O-N 2.93Å |
| 874 | P | 30.5 | Very low | 31.8 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 57% | 0.571 | 69% | 0.687 | S | S | * | * | trans | -75.5 | 91 | -174.6 | 29.2 | -34.3 | 0 | 0 | 0 | 110.3 | H876 K877 | P874-H876 PolarHBondContact O-N 2.77Å; P874-K877 PolarHBondContact O-N 3.07Å | ||
| 875 | H | 30.6 | Very low | 32.6 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 58% | 0.583 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -13.6 | 175.2 | -89.9 | -62.6 | 0 | 0 | 0 | 114.2 | Y873 K877 E878 Q879 | Y873-H875 PolarHBondContact O-N 2.93Å; H875-K877 PolarHBondContact O-N 3.47Å; H875-K877 VanDerWaalsContact O-N 3.11Å; H875-E878 IonicContact ND1-OE2 2.69Å; H875-E878 PolarHBondContact O-N 2.99Å; H875-Q879 PolarHBondContact O-N 3.11Å |
| 876 | H | 33.2 | Very low | 33.5 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -58.9 | -15.3 | 167 | -77.4 | -49.7 | 0 | 0 | 0 | 114.6 | P874 S880 | P874-H876 PolarHBondContact O-N 2.77Å; H876-S880 WeakPolarHBondContact O-CB 3.47Å; H876-S880 PolarHBondContact O-N 3.49Å; H876-S880 VanDerWaalsContact O-N 3.13Å; H876-S880 PolarHBondContact O-OG 2.99Å |
| 877 | K | 34.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 70% | 0.7 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.9 | -20.2 | 178.7 | -131.5 | -178.3 | -176.1 | -172.4 | 0 | 115 | P874 H875 S880 L881 | P874-K877 PolarHBondContact O-N 3.07Å; H875-K877 PolarHBondContact O-N 3.47Å; H875-K877 VanDerWaalsContact O-N 3.11Å; K877-S880 VanDerWaalsContact C-OG 3.31Å; K877-S880 WeakPolarHBondContact CA-OG 3.49Å; K877-S880 PolarHBondContact O-OG 3.04Å; K877-L881 PolarHBondContact O-N 2.93Å |
| 878 | E | 37.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 52% | 0.519 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -95.6 | -33.7 | 175 | -74.1 | 174.3 | 130.9 | 0 | 0 | 112 | H875 S880 L881 Q882 | H875-E878 IonicContact ND1-OE2 2.69Å; H875-E878 PolarHBondContact O-N 2.99Å; E878-S880 VanDerWaalsContact C-N 3.26Å; E878-S880 PolarHBondContact O-N 2.91Å; E878-L881 PolarHBondContact O-N 3.41Å; E878-Q882 PolarHBondContact O-N 3.18Å |
| 879 | Q | 36 | Very low | 36.4 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 53% | 0.528 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -59 | -39.7 | 164.6 | -79.3 | -174.3 | -31.8 | 0 | 0 | 111.4 | H875 L881 Q883 | H875-Q879 PolarHBondContact O-N 3.11Å; Q879-L881 VanDerWaalsContact C-N 3.27Å; Q879-L881 PolarHBondContact O-N 2.89Å; Q879-Q883 VanDerWaalsContact O-CB 3.23Å; Q879-Q883 WeakPolarHBondContact O-CB 3.4Å; Q879-Q883 WeakPolarHBondContact O-CG 3.41Å; Q879-Q883 PolarHBondContact O-N 3.2Å |
| 880 | S | 36 | Very low | 37.3 | Very low | 47 Ų | 47 | 126.6 Ų | 126.6 | 33% | 0.329 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.7 | -28.9 | 171.7 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | H876 K877 E878 Q884 | H876-S880 WeakPolarHBondContact O-CB 3.47Å; H876-S880 PolarHBondContact O-N 3.49Å; H876-S880 VanDerWaalsContact O-N 3.13Å; H876-S880 PolarHBondContact O-OG 2.99Å; K877-S880 VanDerWaalsContact C-OG 3.31Å; K877-S880 WeakPolarHBondContact CA-OG 3.49Å; K877-S880 PolarHBondContact O-OG 3.04Å; E878-S880 VanDerWaalsContact C-N 3.26Å; E878-S880 PolarHBondContact O-N 2.91Å; S880-Q884 WeakPolarHBondContact O-CB 3.36Å; S880-Q884 VanDerWaalsContact O-CG 3.23Å; S880-Q884 WeakPolarHBondContact O-CG 3.47Å; S880-Q884 PolarHBondContact O-N 3.19Å |
| 881 | L | 39.6 | Very low | 37.8 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.5 | -40.7 | 179.9 | -135.6 | 76.7 | 0 | 0 | 0 | 112.2 | K877 E878 Q879 Q884 Q885 | K877-L881 PolarHBondContact O-N 2.93Å; E878-L881 PolarHBondContact O-N 3.41Å; Q879-L881 VanDerWaalsContact C-N 3.27Å; Q879-L881 PolarHBondContact O-N 2.89Å; L881-Q884 CarbonylContact O-C 3.59Å; L881-Q884 PolarHBondContact O-N 2.88Å; L881-Q885 PolarHBondContact O-N 2.69Å |
| 882 | Q | 40.3 | Very low | 38.7 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 62% | 0.621 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.7 | -39.1 | 173.1 | -74.1 | -176.3 | -23.8 | 0 | 0 | 111.8 | E878 Q884 Q885 Q886 | E878-Q882 PolarHBondContact O-N 3.18Å; Q882-Q884 VanDerWaalsContact C-N 3.35Å; Q882-Q885 PolarHBondContact O-N 3.2Å; Q882-Q886 PolarHBondContact O-N 2.98Å |
| 883 | Q | 39.7 | Very low | 39.2 | Very low | 136 Ų | 136 | 120.4 Ų | 120.4 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -36.3 | 169.4 | -73.4 | -176.5 | -15 | 0 | 0 | 111.6 | Q879 L887 | Q879-Q883 VanDerWaalsContact O-CB 3.23Å; Q879-Q883 WeakPolarHBondContact O-CB 3.4Å; Q879-Q883 WeakPolarHBondContact O-CG 3.41Å; Q879-Q883 PolarHBondContact O-N 3.2Å; Q883-L887 WeakPolarHBondContact O-CB 3.43Å; Q883-L887 PolarHBondContact O-N 3.39Å |
| 884 | Q | 42.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.9 | -37.3 | 170.5 | -83.7 | -171.4 | -70.1 | 0 | 0 | 112.4 | S880 L881 Q882 I888 | S880-Q884 WeakPolarHBondContact O-CB 3.36Å; S880-Q884 VanDerWaalsContact O-CG 3.23Å; S880-Q884 WeakPolarHBondContact O-CG 3.47Å; S880-Q884 PolarHBondContact O-N 3.19Å; L881-Q884 CarbonylContact O-C 3.59Å; L881-Q884 PolarHBondContact O-N 2.88Å; Q882-Q884 VanDerWaalsContact C-N 3.35Å; Q884-I888 WeakPolarHBondContact O-CB 3.49Å; Q884-I888 WeakPolarHBondContact O-CD1 3.35Å; Q884-I888 WeakPolarHBondContact O-CG1 3.38Å; Q884-I888 PolarHBondContact O-N 3.01Å |
| 885 | Q | 46.6 | Very low | 40 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70 | -44.1 | 176.7 | -87.2 | 176.6 | -53.5 | 0 | 0 | 112.3 | L881 Q882 L887 I888 E889 | L881-Q885 PolarHBondContact O-N 2.69Å; Q882-Q885 PolarHBondContact O-N 3.2Å; Q885-L887 VanDerWaalsContact C-N 3.35Å; Q885-L887 PolarHBondContact O-N 2.8Å; Q885-I888 PolarHBondContact O-N 3.21Å; Q885-E889 WeakPolarHBondContact O-CG 3.27Å; Q885-E889 PolarHBondContact O-N 3.17Å |
| 886 | Q | 45.6 | Very low | 40 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.1 | -38.2 | 172.6 | -72.7 | -177 | -19.5 | 0 | 0 | 112.3 | Q882 E889 L890 | Q882-Q886 PolarHBondContact O-N 2.98Å; Q886-E889 PolarHBondContact O-N 3.35Å; Q886-L890 WeakPolarHBondContact O-CB 3.5Å; Q886-L890 WeakPolarHBondContact O-CD1 3.42Å; Q886-L890 VanDerWaalsContact O-CG 3.29Å; Q886-L890 WeakPolarHBondContact O-CG 3.27Å; Q886-L890 PolarHBondContact O-N 3.5Å |
| 887 | L | 41.8 | Very low | 39.8 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.8 | -34.5 | 174.7 | -163.5 | 74.8 | 0 | 0 | 0 | 111.7 | Q883 Q885 L890 M891 | Q883-L887 WeakPolarHBondContact O-CB 3.43Å; Q883-L887 PolarHBondContact O-N 3.39Å; Q885-L887 VanDerWaalsContact C-N 3.35Å; Q885-L887 PolarHBondContact O-N 2.8Å; L887-L890 PolarHBondContact O-N 2.97Å; L887-M891 HydrophobicContact CG-CG 4.48Å; L887-M891 VanDerWaalsContact O-CB 3.26Å; L887-M891 WeakPolarHBondContact O-CB 3.45Å; L887-M891 WeakPolarHBondContact O-CG 3.19Å; L887-M891 PolarHBondContact O-N 3.46Å |
| 888 | I | 48.1 | Very low | 39.5 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.9 | -44.5 | 172.4 | -76 | 163.4 | 0 | 0 | 0 | 110.1 | Q884 Q885 L890 M891 T892 | Q884-I888 WeakPolarHBondContact O-CB 3.49Å; Q884-I888 WeakPolarHBondContact O-CD1 3.35Å; Q884-I888 WeakPolarHBondContact O-CG1 3.38Å; Q884-I888 PolarHBondContact O-N 3.01Å; Q885-I888 PolarHBondContact O-N 3.21Å; I888-L890 PolarHBondContact O-N 2.89Å; I888-M891 CarbonylContact O-C 3.57Å; I888-M891 PolarHBondContact O-N 3.26Å; I888-M891 VanDerWaalsContact O-N 3.17Å; I888-T892 HydrophobicContact CG2-CG2 4.34Å; I888-T892 WeakPolarHBondContact O-CG2 3.35Å; I888-T892 PolarHBondContact O-N 3.45Å; I888-T892 PolarHBondContact O-OG1 3.06Å; I888-T892 VanDerWaalsContact O-OG1 3.08Å |
| 889 | E | 47.4 | Very low | 39.1 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 58% | 0.575 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.1 | -36.8 | 175.7 | -72.6 | -176.8 | 147 | 0 | 0 | 112.7 | Q885 Q886 T892 N893 | Q885-E889 WeakPolarHBondContact O-CG 3.27Å; Q885-E889 PolarHBondContact O-N 3.17Å; Q886-E889 PolarHBondContact O-N 3.35Å; E889-T892 WeakPolarHBondContact CA-OG1 3.4Å; E889-T892 PolarHBondContact O-OG1 2.93Å; E889-N893 VanDerWaalsContact O-CB 3.31Å; E889-N893 WeakPolarHBondContact O-CB 3.43Å; E889-N893 PolarHBondContact O-N 3.27Å; E889-N893 PolarHBondContact O-ND2 3.04Å; E889-N893 VanDerWaalsContact O-ND2 3.16Å |
| 890 | L | 45.5 | Very low | 38.8 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 63% | 0.634 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.4 | -34.1 | 171.9 | -74.9 | 164 | 0 | 0 | 0 | 112.6 | Q886 L887 I888 S894 | Q886-L890 WeakPolarHBondContact O-CB 3.5Å; Q886-L890 WeakPolarHBondContact O-CD1 3.42Å; Q886-L890 VanDerWaalsContact O-CG 3.29Å; Q886-L890 WeakPolarHBondContact O-CG 3.27Å; Q886-L890 PolarHBondContact O-N 3.5Å; L887-L890 PolarHBondContact O-N 2.97Å; I888-L890 PolarHBondContact O-N 2.89Å; L890-S894 PolarHBondContact O-OG 3.07Å |
| 891 | M | 37.8 | Very low | 38.4 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -78.4 | -30.6 | 177.3 | -69.7 | -78.4 | -76.8 | 0 | 0 | 112.7 | L887 I888 S894 T895 | L887-M891 HydrophobicContact CG-CG 4.48Å; L887-M891 VanDerWaalsContact O-CB 3.26Å; L887-M891 WeakPolarHBondContact O-CB 3.45Å; L887-M891 WeakPolarHBondContact O-CG 3.19Å; L887-M891 PolarHBondContact O-N 3.46Å; I888-M891 CarbonylContact O-C 3.57Å; I888-M891 PolarHBondContact O-N 3.26Å; I888-M891 VanDerWaalsContact O-N 3.17Å; M891-S894 PolarHBondContact O-OG 2.84Å; M891-T895 PolarHBondContact O-OG1 2.98Å |
| 892 | T | 44.3 | Very low | 38 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 51% | 0.509 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -79.1 | -32.6 | 174.7 | 54 | 0 | 0 | 0 | 0 | 112.6 | I888 E889 S894 T895 | I888-T892 HydrophobicContact CG2-CG2 4.34Å; I888-T892 WeakPolarHBondContact O-CG2 3.35Å; I888-T892 PolarHBondContact O-N 3.45Å; I888-T892 PolarHBondContact O-OG1 3.06Å; I888-T892 VanDerWaalsContact O-OG1 3.08Å; E889-T892 WeakPolarHBondContact CA-OG1 3.4Å; E889-T892 PolarHBondContact O-OG1 2.93Å; T892-S894 VanDerWaalsContact C-N 3.31Å; T892-S894 PolarHBondContact O-N 2.88Å; T892-T895 PolarHBondContact O-OG1 3.3Å |
| 893 | N | 41.2 | Very low | 37.6 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -7.9 | 177.5 | -77.9 | -38 | 0 | 0 | 0 | 114.9 | E889 | E889-N893 VanDerWaalsContact O-CB 3.31Å; E889-N893 WeakPolarHBondContact O-CB 3.43Å; E889-N893 PolarHBondContact O-N 3.27Å; E889-N893 PolarHBondContact O-ND2 3.04Å; E889-N893 VanDerWaalsContact O-ND2 3.16Å |
| 894 | S | 37.5 | Very low | 37.2 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 59% | 0.594 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -4.1 | 177.2 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | L890 M891 T892 | L890-S894 PolarHBondContact O-OG 3.07Å; M891-S894 PolarHBondContact O-OG 2.84Å; T892-S894 VanDerWaalsContact C-N 3.31Å; T892-S894 PolarHBondContact O-N 2.88Å |
| 895 | T | 34.1 | Very low | 36.7 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -120.3 | 30.8 | -169.9 | 46.9 | 0 | 0 | 0 | 0 | 114.9 | M891 T892 | M891-T895 PolarHBondContact O-OG1 2.98Å; T892-T895 PolarHBondContact O-OG1 3.3Å |
| 896 | R | 32 | Very low | 36 | Very low | 237 Ų | 237 | 136.9 Ų | 136.9 | 89% | 0.894 | 69% | 0.694 | S | S | * | * | trans | -146.9 | 60.5 | 174.7 | -121.7 | 174.4 | -168.3 | 174.3 | 3.3 | 115.3 | ||||
| 897 | N | 28.5 | Very low | 35.6 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | -137.8 | 75.7 | 174 | -114.4 | -21.7 | 0 | 0 | 0 | 111.1 | ||||
| 898 | Y | 28.3 | Very low | 35.1 | Very low | 208 Ų | 208 | 137.4 Ų | 137.4 | 82% | 0.816 | 71% | 0.705 | S | S | * | * | trans | -154.2 | 106.7 | 167.4 | -118.6 | -81.3 | 0 | 0 | 0 | 113.3 | ||||
| 899 | Q | 27.9 | Very low | 34.4 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | 63.9 | 161.2 | 152.1 | -72.5 | 178.3 | -32.5 | 0 | 0 | 121.4 | ||||
| 900 | S | 29.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | 64.8 | 123.7 | 172.9 | -157.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 901 | E | 29.1 | Very low | 33.1 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | cis | 171.6 | 161.5 | -21.8 | -116.8 | -174.4 | -148 | 0 | 0 | 104.8 | ||||
| 902 | N | 31.5 | Very low | 32.9 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | 73.4 | 119.7 | 148.9 | -65.9 | -27.3 | 0 | 0 | 0 | 123.4 | ||||
| 903 | F | 30.5 | Very low | 32.5 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | trans | 85.1 | 96.3 | 135.7 | -82.3 | -112.9 | 0 | 0 | 0 | 122.5 | ||||
| 904 | M | 31.2 | Very low | 32.2 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | 85 | 134.8 | 114.4 | -85.5 | -168.1 | 172.9 | 0 | 0 | 123.7 | |||||
| 905 | N | 32.7 | Very low | 32.1 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 97 | 116.2 | 144.7 | -62.8 | -10.9 | 0 | 0 | 0 | 121.7 | ||||
| 906 | T | 31.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -76.5 | -176.9 | 162.7 | 39.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 907 | P | 36.6 | Very low | 32.3 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | cis | -154.6 | 172.3 | 30.4 | 46.2 | -23.9 | 0 | 0 | 0 | 122.4 | ||||
| 908 | M | 32.4 | Very low | 32.4 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | 29 | 133.7 | 138.5 | -63.2 | -78.5 | -84.9 | 0 | 0 | 122.5 | M910 | M908-M910 HydrophobicContact CE-CE 3.76Å; M908-M910 HydrophobicContact CE-CG 3.61Å; M908-M910 HydrophobicContact CE-SD 3.75Å | ||
| 909 | D | 33.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | -164 | 158.8 | 107.3 | -95.6 | -21.7 | 0 | 0 | 0 | 108.6 | |||||
| 910 | M | 30.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 62% | 0.616 | 76% | 0.756 | S | S | * | * | cis | 154 | 106.1 | -24.5 | -99.8 | -88.6 | -135.5 | 0 | 0 | 106.6 | M908 | M908-M910 HydrophobicContact CE-CE 3.76Å; M908-M910 HydrophobicContact CE-CG 3.61Å; M908-M910 HydrophobicContact CE-SD 3.75Å | ||
| 911 | L | 35.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -172.1 | 148.3 | 134.9 | -125.7 | 69.4 | 0 | 0 | 0 | 112.5 | ||||
| 912 | N | 32.6 | Very low | 33.3 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -103.6 | -163.3 | 174.7 | -62.4 | -54.5 | 0 | 0 | 0 | 109.2 | ||||
| 913 | S | 35.5 | Very low | 33.2 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | cis | -177 | 144.3 | 22.1 | 39.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 914 | H | 35.7 | Very low | 33.6 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | 57.1 | 158.7 | 142.5 | -72.2 | -85.7 | 0 | 0 | 0 | 119.9 | ||||
| 915 | D | 35.6 | Very low | 33.8 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | cis | -154.7 | 177.6 | 1 | -123.2 | -21.3 | 0 | 0 | 0 | 113.1 | ||||
| 916 | L | 30.4 | Very low | 33.9 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -110.3 | 155.5 | 175.5 | -108 | 131.8 | 0 | 0 | 0 | 112.3 | ||||
| 917 | P | 39 | Very low | 34.2 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | -153.1 | -160.5 | 113.9 | 38.1 | -17.9 | 0 | 0 | 0 | 116.6 | |||||
| 918 | R | 32 | Very low | 34.2 | Very low | 223 Ų | 223 | 143.7 Ų | 143.7 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | trans | -117.2 | 155.4 | -161.5 | -69.7 | 171.4 | 166 | 168.8 | -3.6 | 115.1 | ||||
| 919 | K | 32.6 | Very low | 34.5 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | 53.5 | 142.4 | 148.6 | -66.1 | -179.6 | 173.7 | -172 | 0 | 117.5 | ||||
| 920 | T | 33.8 | Very low | 34.7 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | cis | -164.6 | 146.9 | 50 | 40 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 921 | T | 33.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 36.4 | 137 | 147.6 | 50.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 922 | T | 34 | Very low | 35.2 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | 78.5 | 104 | 138.8 | 49 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 923 | C | 29.8 | Very low | 35.6 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | 88.8 | 136.9 | 117.6 | -70.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 924 | I | 37.3 | Very low | 35.7 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 87.5 | 112.4 | 146.4 | -71.4 | 159.9 | 0 | 0 | 0 | 119.5 | ||||
| 925 | Q | 36.3 | Very low | 35.9 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 62.3 | 151.2 | 145 | -75.5 | -176.1 | -60.1 | 0 | 0 | 120.6 | ||||
| 926 | E | 35.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | cis | -166.1 | 172.6 | -21.7 | -152.2 | 172.3 | -95.5 | 0 | 0 | 109.8 | ||||
| 927 | N | 36.8 | Very low | 36.7 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 57% | 0.567 | 79% | 0.786 | S | S | * | * | trans | 71.9 | 113.6 | 155.6 | -73.5 | -60.4 | 0 | 0 | 0 | 123.1 | ||||
| 928 | K | 37.4 | Very low | 36.6 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | 84.7 | 132.2 | 124.6 | -69.8 | 174.2 | 178.4 | 173.1 | 0 | 123 | |||||
| 929 | A | 37.6 | Very low | 36.9 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 71.8 | 147.2 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 930 | Q | 37.7 | Very low | 37.1 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | cis | -165.5 | -179.3 | -25.1 | -156.8 | 168.4 | -19.4 | 0 | 0 | 108.7 | ||||
| 931 | T | 38.3 | Very low | 37.3 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | 66.9 | 101.7 | 157.6 | 50.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 932 | N | 37.8 | Very low | 37.6 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | 57.3 | 139.9 | 113.4 | -57.3 | 7.1 | 0 | 0 | 0 | 123.8 | |||||
| 933 | G | 41.7 | Very low | 37.8 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 129.8 | 90.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 934 | I | 36.5 | Very low | 38.5 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | 54.6 | 102 | 61.6 | -42.2 | 178.2 | 0 | 0 | 0 | 113.1 | |||||
| 935 | N | 40.8 | Very low | 38.6 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | 165 | 96.4 | 132 | -87.8 | -22.8 | 0 | 0 | 0 | 112.8 | ||||
| 936 | S | 46.5 | Very low | 38.8 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 100% | 1.385 | 80% | 0.798 | S | S | * | * | trans | -178.1 | 0 | 143.2 | 62.9 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 936 of 936 residues in 222.3 ms
(Link to these results)