| 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 | 56.7 | Low | 69.8 | Low | 221 Ų | 221 | 125.5 Ų | 125.5 | 100% | 1.089 | 66% | 0.655 | S | S | * | * | 0 | 12.7 | 0 | -70.9 | 164.4 | 171.8 | 0 | 0 | 113.8 | |||||
| 2 | T | 59.2 | Low | 70.9 | Confident | 119 Ų | 119 | 122.4 Ų | 122.4 | 73% | 0.73 | 65% | 0.646 | S | S | * | * | trans | -96.1 | -28.7 | -179.9 | 29.5 | 0 | 0 | 0 | 0 | 113.4 | K5 L6 | T2-K5 PolarHBondContact O-N 2.96Å; T2-L6 PolarHBondContact O-N 3.1Å; T2-L6 VanDerWaalsContact O-N 3.14Å | ||
| 3 | G | 62.4 | Low | 71.7 | Confident | 44 Ų | 44 | 121.3 Ų | 121.3 | 45% | 0.454 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.6 | -44.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K5 L6 W7 | G3-K5 VanDerWaalsContact C-N 3.32Å; G3-K5 PolarHBondContact O-N 3.02Å; G3-L6 PolarHBondContact O-N 3Å; G3-W7 PolarHBondContact O-N 3.34Å; G3-W7 VanDerWaalsContact O-N 3.07Å |
| 4 | Q | 64 | Low | 72.2 | Confident | 167 Ų | 167 | 116.2 Ų | 116.2 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.6 | -36.1 | 177.5 | -103.8 | 178.6 | -39 | 0 | 0 | 112.9 | T8 | Q4-T8 PolarHBondContact O-N 3.3Å; Q4-T8 PolarHBondContact O-OG1 2.79Å |
| 5 | K | 63.8 | Low | 72.4 | Confident | 151 Ų | 151 | 116.4 Ų | 116.4 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.9 | -39.3 | 177.1 | -122.1 | -174.2 | 178.6 | -172 | 0 | 111.7 | T2 G3 T8 Q9 | T2-K5 PolarHBondContact O-N 2.96Å; G3-K5 VanDerWaalsContact C-N 3.32Å; G3-K5 PolarHBondContact O-N 3.02Å; K5-T8 WeakPolarHBondContact CA-OG1 3.45Å; K5-T8 PolarHBondContact O-OG1 3.36Å; K5-Q9 WeakPolarHBondContact O-CG 3.04Å; K5-Q9 PolarHBondContact O-N 2.8Å |
| 6 | L | 69.9 | Low | 72.6 | Confident | 112 Ų | 112 | 115.5 Ų | 115.5 | 59% | 0.586 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66 | -43.2 | 176.8 | -140.9 | 80.9 | 0 | 0 | 0 | 111.4 | T2 G3 Q9 V10 | T2-L6 PolarHBondContact O-N 3.1Å; T2-L6 VanDerWaalsContact O-N 3.14Å; G3-L6 PolarHBondContact O-N 3Å; L6-Q9 PolarHBondContact O-N 3.2Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.17Å; L6-V10 PolarHBondContact O-N 2.85Å |
| 7 | W | 73.3 | Confident | 72.7 | Confident | 213 Ų | 213 | 113.5 Ų | 113.5 | 81% | 0.807 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67 | -39.3 | 178.5 | -81.6 | 59.4 | 0 | 0 | 0 | 112.7 | G3 V10 A11 | G3-W7 PolarHBondContact O-N 3.34Å; G3-W7 VanDerWaalsContact O-N 3.07Å; W7-V10 PolarHBondContact O-N 2.02Å; W7-A11 WeakPolarHBondContact O-CB 3.37Å; W7-A11 PolarHBondContact O-N 3.29Å |
| 8 | T | 77.4 | Confident | 72.4 | Confident | 85 Ų | 85 | 113.9 Ų | 113.9 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.4 | -39.1 | 174.1 | 28.5 | 0 | 0 | 0 | 0 | 111.9 | Q4 K5 A11 V12 | Q4-T8 PolarHBondContact O-N 3.3Å; Q4-T8 PolarHBondContact O-OG1 2.79Å; K5-T8 WeakPolarHBondContact CA-OG1 3.45Å; K5-T8 PolarHBondContact O-OG1 3.36Å; T8-A11 PolarHBondContact O-N 2.74Å; T8-V12 WeakPolarHBondContact O-CB 3.43Å; T8-V12 VanDerWaalsContact O-CG2 3.23Å; T8-V12 WeakPolarHBondContact O-CG2 3.04Å; T8-V12 PolarHBondContact O-N 2.93Å |
| 9 | Q | 76.6 | Confident | 72.1 | Confident | 118 Ų | 118 | 112.2 Ų | 112.2 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64 | -41.8 | 174.1 | -78 | -170.8 | -85.8 | 0 | 0 | 112.6 | K5 L6 V12 L13 | K5-Q9 WeakPolarHBondContact O-CG 3.04Å; K5-Q9 PolarHBondContact O-N 2.8Å; L6-Q9 PolarHBondContact O-N 3.2Å; Q9-V12 PolarHBondContact O-N 3.33Å; Q9-L13 WeakPolarHBondContact O-CB 3.41Å; Q9-L13 WeakPolarHBondContact O-CG 3.45Å; Q9-L13 PolarHBondContact O-N 3.28Å |
| 10 | V | 82.2 | Confident | 71.6 | Confident | 93 Ų | 93 | 110.2 Ų | 110.2 | 56% | 0.564 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.8 | -41.4 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L6 W7 L13 A14 | L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.17Å; L6-V10 PolarHBondContact O-N 2.85Å; W7-V10 PolarHBondContact O-N 2.02Å; V10-L13 PolarHBondContact O-N 3.2Å; V10-A14 WeakPolarHBondContact O-CB 3.38Å; V10-A14 PolarHBondContact O-N 2.83Å |
| 11 | A | 82.8 | Confident | 71 | Confident | 57 Ų | 57 | 110.6 Ų | 110.6 | 47% | 0.471 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.8 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W7 T8 A14 L15 | W7-A11 WeakPolarHBondContact O-CB 3.37Å; W7-A11 PolarHBondContact O-N 3.29Å; T8-A11 PolarHBondContact O-N 2.74Å; A11-A14 PolarHBondContact O-N 2.89Å; A11-L15 WeakPolarHBondContact O-CB 3.35Å; A11-L15 PolarHBondContact O-N 3.34Å |
| 12 | V | 82.3 | Confident | 70.9 | Confident | 89 Ų | 89 | 103.8 Ų | 103.8 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.7 | -41 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111.3 | T8 Q9 L15 L16 | T8-V12 WeakPolarHBondContact O-CB 3.43Å; T8-V12 VanDerWaalsContact O-CG2 3.23Å; T8-V12 WeakPolarHBondContact O-CG2 3.04Å; T8-V12 PolarHBondContact O-N 2.93Å; Q9-V12 PolarHBondContact O-N 3.33Å; V12-L15 PolarHBondContact O-N 3.18Å; V12-L16 HydrophobicContact CG1-CD1 4.29Å; V12-L16 PolarHBondContact O-N 3.19Å |
| 13 | L | 81.5 | Confident | 70.7 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.6 | -42.4 | 175.3 | -78.9 | 165.2 | 0 | 0 | 0 | 111.9 | Q9 V10 L15 L16 V17 | Q9-L13 WeakPolarHBondContact O-CB 3.41Å; Q9-L13 WeakPolarHBondContact O-CG 3.45Å; Q9-L13 PolarHBondContact O-N 3.28Å; V10-L13 PolarHBondContact O-N 3.2Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 2.91Å; L13-V17 WeakPolarHBondContact O-CG2 3.28Å; L13-V17 PolarHBondContact O-N 3.27Å |
| 14 | A | 78.8 | Confident | 70.1 | Confident | 50 Ų | 50 | 106.3 Ų | 106.3 | 41% | 0.413 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.1 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V10 A11 V17 L18 | V10-A14 WeakPolarHBondContact O-CB 3.38Å; V10-A14 PolarHBondContact O-N 2.83Å; A11-A14 PolarHBondContact O-N 2.89Å; A14-V17 PolarHBondContact O-N 2.75Å; A14-L18 WeakPolarHBondContact O-CG 3.5Å; A14-L18 PolarHBondContact O-N 3.36Å |
| 15 | L | 76 | Confident | 69.5 | Low | 119 Ų | 119 | 101.5 Ų | 101.5 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65 | -41.4 | 175.6 | -143.5 | 104.6 | 0 | 0 | 0 | 111.4 | A11 V12 L13 L18 T19 | A11-L15 WeakPolarHBondContact O-CB 3.35Å; A11-L15 PolarHBondContact O-N 3.34Å; V12-L15 PolarHBondContact O-N 3.18Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.88Å; L15-L18 PolarHBondContact O-N 3Å; L15-T19 WeakPolarHBondContact O-CG2 3.13Å; L15-T19 PolarHBondContact O-N 2.86Å; L15-T19 PolarHBondContact O-OG1 3.25Å |
| 16 | L | 75.3 | Confident | 68.9 | Low | 102 Ų | 102 | 97.1 Ų | 97.1 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.7 | -45.2 | 176.5 | -120.3 | 109.1 | 0 | 0 | 0 | 111.4 | V12 L13 L18 T19 V20 | V12-L16 HydrophobicContact CG1-CD1 4.29Å; V12-L16 PolarHBondContact O-N 3.19Å; L13-L16 PolarHBondContact O-N 2.91Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.89Å; L16-T19 WeakPolarHBondContact CA-OG1 3.24Å; L16-T19 PolarHBondContact O-N 2.96Å; L16-T19 PolarHBondContact O-OG1 3.03Å; L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 3.42Å |
| 17 | V | 73.5 | Confident | 67.5 | Low | 82 Ų | 82 | 101.1 Ų | 101.1 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.2 | -41.8 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L13 A14 T19 V20 M21 | L13-V17 WeakPolarHBondContact O-CG2 3.28Å; L13-V17 PolarHBondContact O-N 3.27Å; A14-V17 PolarHBondContact O-N 2.75Å; V17-T19 VanDerWaalsContact C-N 3.34Å; V17-T19 PolarHBondContact O-N 2.96Å; V17-V20 PolarHBondContact O-N 3.1Å; V17-M21 HydrophobicContact CG1-CE 4.31Å; V17-M21 HydrophobicContact CG1-CG 4.43Å; V17-M21 VanDerWaalsContact O-CG 3.26Å; V17-M21 WeakPolarHBondContact O-CG 3.48Å; V17-M21 PolarHBondContact O-N 2.04Å |
| 18 | L | 68.3 | Low | 66.1 | Low | 121 Ų | 121 | 95.8 Ų | 95.8 | 63% | 0.634 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.4 | -38.7 | 175.1 | -74.9 | 164.3 | 0 | 0 | 0 | 112.5 | A14 L15 L16 A22 | A14-L18 WeakPolarHBondContact O-CG 3.5Å; A14-L18 PolarHBondContact O-N 3.36Å; L15-L18 PolarHBondContact O-N 3Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.89Å; L18-A22 WeakPolarHBondContact O-CB 3.42Å; L18-A22 PolarHBondContact O-N 2.75Å |
| 19 | T | 65.9 | Low | 64.6 | Low | 81 Ų | 81 | 99.7 Ų | 99.7 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.6 | -33.1 | 176.2 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | L15 L16 V17 A23 | L15-T19 WeakPolarHBondContact O-CG2 3.13Å; L15-T19 PolarHBondContact O-N 2.86Å; L15-T19 PolarHBondContact O-OG1 3.25Å; L16-T19 WeakPolarHBondContact CA-OG1 3.24Å; L16-T19 PolarHBondContact O-N 2.96Å; L16-T19 PolarHBondContact O-OG1 3.03Å; V17-T19 VanDerWaalsContact C-N 3.34Å; V17-T19 PolarHBondContact O-N 2.96Å; T19-A23 WeakPolarHBondContact O-CB 3.18Å; T19-A23 PolarHBondContact O-N 3.38Å |
| 20 | V | 62.8 | Low | 63.1 | Low | 72 Ų | 72 | 103.5 Ų | 103.5 | 44% | 0.436 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.1 | -49.1 | 174 | 173.6 | 0 | 0 | 0 | 0 | 109.8 | L16 V17 A22 A23 E24 | L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 3.42Å; V17-V20 PolarHBondContact O-N 3.1Å; V20-A22 PolarHBondContact O-N 2.84Å; V20-A23 WeakPolarHBondContact O-CA 3.38Å; V20-A23 WeakPolarHBondContact O-CB 3.27Å; V20-A23 PolarHBondContact O-N 2.86Å; V20-E24 HydrophobicContact CG1-CG 4.39Å; V20-E24 WeakPolarHBondContact O-CG 3.4Å; V20-E24 PolarHBondContact O-N 3.33Å |
| 21 | M | 58.1 | Low | 61.3 | Low | 118 Ų | 118 | 107.7 Ų | 107.7 | 58% | 0.581 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.8 | -32 | 178.1 | -62.8 | -69 | 165.1 | 0 | 0 | 112.8 | V17 | V17-M21 HydrophobicContact CG1-CE 4.31Å; V17-M21 HydrophobicContact CG1-CG 4.43Å; V17-M21 VanDerWaalsContact O-CG 3.26Å; V17-M21 WeakPolarHBondContact O-CG 3.48Å; V17-M21 PolarHBondContact O-N 2.04Å |
| 22 | A | 56 | Low | 59.5 | Low | 78 Ų | 78 | 107.8 Ų | 107.8 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.8 | -27.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L18 V20 | L18-A22 WeakPolarHBondContact O-CB 3.42Å; L18-A22 PolarHBondContact O-N 2.75Å; V20-A22 PolarHBondContact O-N 2.84Å |
| 23 | A | 54.1 | Low | 57.7 | Low | 76 Ų | 76 | 113.7 Ų | 113.7 | 63% | 0.628 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.9 | -22.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | T19 V20 G25 | T19-A23 WeakPolarHBondContact O-CB 3.18Å; T19-A23 PolarHBondContact O-N 3.38Å; V20-A23 WeakPolarHBondContact O-CA 3.38Å; V20-A23 WeakPolarHBondContact O-CB 3.27Å; V20-A23 PolarHBondContact O-N 2.86Å; A23-G25 VanDerWaalsContact C-N 3.26Å |
| 24 | E | 49.8 | Very low | 56 | Low | 140 Ų | 140 | 118.1 Ų | 118.1 | 65% | 0.654 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -80.2 | -7.8 | 173.5 | -30.5 | -160.8 | 113.9 | 0 | 0 | 112.6 | V20 G26 | V20-E24 HydrophobicContact CG1-CG 4.39Å; V20-E24 WeakPolarHBondContact O-CG 3.4Å; V20-E24 PolarHBondContact O-N 3.33Å; E24-G26 PolarHBondContact O-N 2.93Å |
| 25 | G | 51.6 | Low | 54.6 | Low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | trans | -75.5 | 26.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A23 | A23-G25 VanDerWaalsContact C-N 3.26Š| ||
| 26 | G | 51 | Low | 53.7 | Low | 58 Ų | 58 | 128 Ų | 128 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | trans | -109.3 | 31.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E24 | E24-G26 PolarHBondContact O-N 2.93Š| ||
| 27 | K | 40.8 | Very low | 52.7 | Low | 196 Ų | 196 | 132 Ų | 132 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | -144.4 | 83.3 | 156.8 | -71.3 | -169.3 | 179.5 | 169 | 0 | 109.4 | E29 | K27-E29 PolarHBondContact O-N 2.78Š| ||
| 28 | A | 44.5 | Very low | 52 | Low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 69% | 0.692 | S | S | * | * | trans | -58.6 | 86.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | K30 | A28-K30 PolarHBondContact O-N 3.42Š| ||
| 29 | E | 44.6 | Very low | 51.9 | Low | 168 Ų | 168 | 131.2 Ų | 131.2 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -46.3 | 114.1 | 160.9 | -174.1 | -177.6 | 97.1 | 0 | 0 | 104.3 | K27 Q31 | K27-E29 PolarHBondContact O-N 2.78Å; E29-Q31 PolarHBondContact O-N 2.99Å | ||
| 30 | K | 46.1 | Very low | 52.3 | Low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | trans | -48.9 | 104.9 | 169.9 | -82.3 | -177.1 | 174.8 | 178.8 | 0 | 104.1 | A28 G32 | A28-K30 PolarHBondContact O-N 3.42Å; K30-G32 PolarHBondContact O-N 3.02Å | ||
| 31 | Q | 44.7 | Very low | 53.1 | Low | 182 Ų | 182 | 126.3 Ų | 126.3 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | trans | -44 | 105.8 | 170.7 | -88.8 | 179.5 | -12.2 | 0 | 0 | 103.8 | E29 R33 | E29-Q31 PolarHBondContact O-N 2.99Å; Q31-R33 PolarHBondContact O-N 2Å | ||
| 32 | G | 44.7 | Very low | 54.3 | Low | 59 Ų | 59 | 127.2 Ų | 127.2 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | trans | -48.3 | 115.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 102.9 | K30 K34 | K30-G32 PolarHBondContact O-N 3.02Å; G32-K34 VanDerWaalsContact C-N 3.3Å; G32-K34 PolarHBondContact O-N 2.9Å | ||
| 33 | R | 44.5 | Very low | 55.7 | Low | 213 Ų | 213 | 125.7 Ų | 125.7 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | trans | -34.4 | 105.5 | 178 | 174.5 | -173.8 | -177.3 | -156.3 | 1.9 | 104.4 | Q31 E35 | Q31-R33 PolarHBondContact O-N 2Å; R33-E35 PolarHBondContact O-N 2.88Å | ||
| 34 | K | 44.5 | Very low | 57.4 | Low | 201 Ų | 201 | 129.7 Ų | 129.7 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | trans | -61.6 | 91.5 | 171.6 | -91.4 | -176.6 | 178.8 | 175.5 | 0 | 101.4 | G32 R36 | G32-K34 VanDerWaalsContact C-N 3.3Å; G32-K34 PolarHBondContact O-N 2.9Å; K34-R36 PolarHBondContact O-N 2.81Å | ||
| 35 | E | 50.8 | Low | 59.3 | Low | 143 Ų | 143 | 126.5 Ų | 126.5 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | trans | -60.1 | 97.9 | 167.4 | -171.5 | 166.8 | 98.9 | 0 | 0 | 100.2 | R33 K37 | R33-E35 PolarHBondContact O-N 2.88Å; E35-K37 PolarHBondContact O-N 2.91Å | ||
| 36 | R | 55.9 | Low | 61 | Low | 234 Ų | 234 | 125.9 Ų | 125.9 | 88% | 0.883 | 63% | 0.632 | S | S | * | * | trans | -54.2 | 96.2 | 163.7 | -79.5 | -170.8 | 174.6 | -168.9 | -0.4 | 101.9 | K34 S38 | K34-R36 PolarHBondContact O-N 2.81Å; R36-S38 PolarHBondContact O-N 3.34Å | ||
| 37 | K | 54.8 | Low | 62.8 | Low | 185 Ų | 185 | 128.8 Ų | 128.8 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -62.2 | 92 | 174 | -165.1 | 178.1 | -178.9 | -164 | 0 | 101.6 | E35 D39 | E35-K37 PolarHBondContact O-N 2.91Å; K37-D39 PolarHBondContact O-N 2.64Å | ||
| 38 | S | 58 | Low | 65.2 | Low | 51 Ų | 51 | 121.4 Ų | 121.4 | 36% | 0.357 | 61% | 0.611 | S | S | . | * | trans | -57.8 | 127.6 | 171.8 | 17.9 | 0 | 0 | 0 | 0 | 102.8 | R36 C40 | R36-S38 PolarHBondContact O-N 3.34Å; S38-C40 PolarHBondContact O-N 2.89Å | ||
| 39 | D | 66.1 | Low | 67.3 | Low | 135 Ų | 135 | 120.9 Ų | 120.9 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -71.4 | 55.6 | 179.6 | -131.6 | -76 | 0 | 0 | 0 | 109.4 | K37 | K37-D39 PolarHBondContact O-N 2.64Š|
| 40 | C | 74.1 | Confident | 69.2 | Low | 15 Ų | 15 | 113.9 Ų | 113.9 | 10% | 0.101 | 57% | 0.568 | C | S | . | * | B | Isolated β-bridge | trans | -114.5 | 122.1 | -175.8 | -175.2 | 0 | 0 | 0 | 0 | 105.8 | S38 R64 C69 | S38-C40 PolarHBondContact O-N 2.89Å; C40-R64 PolarHBondContact O-NH1 3.2Å; C40-R64 VanDerWaalsContact O-NH1 3.12Å; C40-R64 PolarHBondContact SG-NE 2.87Å; C40-R64 PolarHBondContact SG-NH2 3.15Å; C40-C69 HydrophobicContact CB-CB 4.14Å; C40-C69 WeakPolarHBondContact CB-SG 3.43Å; C40-C69 WeakPolarHBondContact SG-CA 2.98Å; C40-C69 WeakPolarHBondContact SG-CB 2.98Å; C40-C69 CovalentContact SG-SG 2Å; C40-C69 PolarHBondContact SG-SG 3.12Å |
| 41 | G | 79.9 | Confident | 71 | Confident | 36 Ų | 36 | 110 Ų | 110 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | trans | -59.5 | -176.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114 | R64 T65 | G41-R64 WeakPolarHBondContact O-CD 3.47Å; G41-R64 WeakPolarHBondContact O-CG 3.43Å; G41-R64 PolarHBondContact O-NH1 3.49Å; G41-T65 PolarHBondContact N-O 3.24Å | ||
| 42 | D | 84.9 | Confident | 72.4 | Confident | 137 Ų | 137 | 109 Ų | 109 | 73% | 0.733 | 55% | 0.552 | S | S | * | * | trans | -76.5 | 160.6 | 177.4 | -159.7 | -92.4 | 0 | 0 | 0 | 112.3 | Q44 R64 | D42-Q44 PolarHBondContact O-N 3.36Å; D42-R64 WeakPolarHBondContact O-CG 3.41Å | ||
| 43 | W | 85.3 | Confident | 73.9 | Confident | 45 Ų | 45 | 109.3 Ų | 109.3 | 17% | 0.17 | 56% | 0.555 | C | S | . | * | trans | -78.8 | 115.7 | 180 | -74 | 97.2 | 0 | 0 | 0 | 110.8 | W45 G62 R64 Q71 K74 | W43-W45 HydrophobicContact CB-CD2 4.33Å; W43-W45 HydrophobicContact CB-CZ2 3.77Å; W43-W45 HydrophobicContact CD2-CH2 4.42Å; W43-W45 HydrophobicContact CD2-CZ2 4.2Å; W43-W45 HydrophobicContact CG-CH2 4.46Å; W43-W45 AromaticContact CG-CZ2 3.79Å; W43-W45 HydrophobicContact CG-CZ2 3.79Å; W43-W45 PolarHBondContact O-N 2.78Å; W43-G62 VanDerWaalsContact CZ3-O 3.31Å; W43-G62 WeakPolarHBondContact CZ3-O 3.32Å; W43-R64 HydrophobicContact CD2-CB 3.99Å; W43-R64 HydrophobicContact CD2-CG 4.45Å; W43-R64 HydrophobicContact CE3-CB 3.64Å; W43-R64 HydrophobicContact CH2-CB 4.22Å; W43-R64 HydrophobicContact CZ3-CB 3.75Å; W43-Q71 HydrophobicContact CH2-CB 4.13Å; W43-Q71 WeakPolarHBondContact CH2-O 3.45Å; W43-K74 HydrophobicContact CE3-CB 4.07Å; W43-K74 HydrophobicContact CH2-CB 3.46Å; W43-K74 VanDerWaalsContact CH2-CB 3.46Å; W43-K74 HydrophobicContact CH2-CD 4.33Å; W43-K74 HydrophobicContact CZ2-CB 4.03Å; W43-K74 HydrophobicContact CZ2-CD 4.05Å; W43-K74 HydrophobicContact CZ3-CB 3.48Å; W43-K74 VanDerWaalsContact CZ3-CB 3.48Å | ||
| 44 | Q | 89.5 | Confident | 75.5 | Confident | 161 Ų | 161 | 106.9 Ų | 106.9 | 75% | 0.752 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 97.7 | 167.6 | -67.3 | -123.1 | -73.7 | 0 | 0 | 109.6 | D42 G62 T63 | D42-Q44 PolarHBondContact O-N 3.36Å; Q44-G62 CarbonylContact O-C 3.57Å; Q44-G62 VanDerWaalsContact O-CA 3.28Å; Q44-G62 WeakPolarHBondContact O-CA 3.3Å; Q44-T63 WeakPolarHBondContact CB-O 3.49Å; Q44-T63 PolarHBondContact N-O 3.17Å; Q44-T63 PolarHBondContact O-N 3.28Å |
| 45 | W | 89.3 | Confident | 77.3 | Confident | 73 Ų | 73 | 99.6 Ų | 99.6 | 28% | 0.277 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.5 | 177.4 | -61.3 | 102.5 | 0 | 0 | 0 | 111.8 | W43 R60 K74 Q76 | W43-W45 HydrophobicContact CB-CD2 4.33Å; W43-W45 HydrophobicContact CB-CZ2 3.77Å; W43-W45 HydrophobicContact CD2-CH2 4.42Å; W43-W45 HydrophobicContact CD2-CZ2 4.2Å; W43-W45 HydrophobicContact CG-CH2 4.46Å; W43-W45 AromaticContact CG-CZ2 3.79Å; W43-W45 HydrophobicContact CG-CZ2 3.79Å; W43-W45 PolarHBondContact O-N 2.78Å; W45-R60 HydrophobicContact CE3-CG 3.94Å; W45-K74 HydrophobicContact CH2-CB 4.24Å; W45-K74 HydrophobicContact CH2-CD 3.93Å; W45-K74 HydrophobicContact CH2-CG 3.98Å; W45-K74 HydrophobicContact CZ3-CB 4.48Å; W45-K74 HydrophobicContact CZ3-CG 4.42Å; W45-K74 WeakPolarHBondContact CZ3-O 3.45Å; W45-Q76 HydrophobicContact CE3-CB 4.26Å; W45-Q76 HydrophobicContact CH2-CB 3.89Å; W45-Q76 HydrophobicContact CZ3-CB 3.57Å |
| 46 | S | 87.6 | Confident | 78.8 | Confident | 54 Ų | 54 | 93.6 Ų | 93.6 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 171.6 | 168.3 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | R60 E61 | S46-R60 WeakPolarHBondContact O-CB 2.96Å; S46-E61 WeakPolarHBondContact CB-O 3.39Å; S46-E61 PolarHBondContact N-O 3.44Å; S46-E61 PolarHBondContact OG-N 2.01Å; S46-E61 PolarHBondContact OG-O 2.87Å |
| 47 | V | 89.3 | Confident | 80.2 | Confident | 119 Ų | 119 | 88.3 Ų | 88.3 | 72% | 0.721 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 144.8 | 174.5 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | V49 | V47-V49 PolarHBondContact O-N 2.85Š|
| 48 | C | 89.3 | Confident | 81.8 | Confident | 41 Ų | 41 | 79.6 Ų | 79.6 | 28% | 0.277 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 122.2 | 175 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | C78 I80 | C48-C78 VanDerWaalsContact CA-SG 3.54Å; C48-C78 HydrophobicContact CB-CB 3.83Å; C48-C78 WeakPolarHBondContact CB-SG 2.92Å; C48-C78 WeakPolarHBondContact SG-CB 3.46Å; C48-C78 CovalentContact SG-SG 2Å; C48-C78 PolarHBondContact SG-SG 3.12Å; C48-I80 HydrophobicContact CB-CD1 4.31Å; C48-I80 HydrophobicContact CB-CG1 3.93Å; C48-I80 VanDerWaalsContact O-CD1 3.27Å; C48-I80 WeakPolarHBondContact O-CD1 3.38Å; C48-I80 WeakPolarHBondContact SG-CG1 3.38Å |
| 49 | V | 89.2 | Confident | 83.4 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | V47 G58 T59 | V47-V49 PolarHBondContact O-N 2.85Å; V49-G58 CarbonylContact O-C 3.53Å; V49-G58 WeakPolarHBondContact O-CA 2.96Å; V49-T59 PolarHBondContact N-O 3.4Å; V49-T59 PolarHBondContact O-N 3.47Å |
| 50 | A | 85.6 | Confident | 84.6 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 17% | 0.174 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 145 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | G53 I80 | A50-G53 WeakPolarHBondContact CB-O 2.87Å; A50-I80 HydrophobicContact CB-CD1 3.72Å; A50-I80 VanDerWaalsContact N-CD1 3.29Å |
| 51 | N | 82.3 | Confident | 85.4 | Confident | 117 Ų | 117 | 81.5 Ų | 81.5 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -74.1 | -30.9 | 173.3 | -72.2 | -88.5 | 0 | 0 | 0 | 112.1 | L57 G58 | N51-L57 PolarHBondContact N-O 2.92Å; N51-L57 PolarHBondContact ND2-O 2.79Å; N51-G58 WeakPolarHBondContact ND2-CA 3.36Å |
| 52 | E | 75.7 | Confident | 85.9 | Confident | 161 Ų | 161 | 79.8 Ų | 79.8 | 75% | 0.752 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -146.1 | 122 | -179.2 | -174.4 | 176.5 | 90.1 | 0 | 0 | 108.9 | ||
| 53 | G | 75.8 | Confident | 86.1 | Confident | 65 Ų | 65 | 76.8 Ų | 76.8 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 73.8 | -159 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A50 | A50-G53 WeakPolarHBondContact CB-O 2.87Š|
| 54 | D | 77.9 | Confident | 86.1 | Confident | 161 Ų | 161 | 76.9 Ų | 76.9 | 86% | 0.861 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -91.4 | -9.5 | -176.9 | -107.2 | -99.1 | 0 | 0 | 0 | 113.8 | ||
| 55 | C | 81.3 | Confident | 85.6 | Confident | 48 Ų | 48 | 74.8 Ų | 74.8 | 32% | 0.324 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -152.5 | 158 | -173.7 | 79.6 | 0 | 0 | 0 | 0 | 112.3 | I80 C82 | C55-I80 HydrophobicContact CB-CG2 4.37Å; C55-C82 HydrophobicContact CB-CB 3.77Å; C55-C82 WeakPolarHBondContact CB-SG 2.98Å; C55-C82 WeakPolarHBondContact SG-CA 3.41Å; C55-C82 WeakPolarHBondContact SG-CB 3.38Å; C55-C82 CovalentContact SG-SG 2.04Å; C55-C82 PolarHBondContact SG-SG 2.89Å |
| 56 | G | 83.2 | Confident | 85 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 19% | 0.186 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.2 | -143.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K79 I80 C82 | G56-K79 CarbonylContact O-C 3.54Å; G56-K79 WeakPolarHBondContact O-CA 3.06Å; G56-I80 PolarHBondContact N-O 2.83Å; G56-I80 PolarHBondContact O-N 2.68Å; G56-C82 PolarHBondContact N-SG 2.73Å; G56-C82 VanDerWaalsContact N-SG 3.42Å |
| 57 | L | 84.6 | Confident | 84.1 | Confident | 123 Ų | 123 | 77 Ų | 77 | 64% | 0.644 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.6 | -179.4 | -67.7 | 174.1 | 0 | 0 | 0 | 110.1 | N51 K79 | N51-L57 PolarHBondContact N-O 2.92Å; N51-L57 PolarHBondContact ND2-O 2.79Å; L57-K79 HydrophobicContact CD2-CG 4.41Å |
| 58 | G | 89.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | -179.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V49 N51 R77 C78 | V49-G58 CarbonylContact O-C 3.53Å; V49-G58 WeakPolarHBondContact O-CA 2.96Å; N51-G58 WeakPolarHBondContact ND2-CA 3.36Å; G58-R77 WeakPolarHBondContact O-CA 3.46Å; G58-C78 VanDerWaalsContact C-SG 3.53Å; G58-C78 PolarHBondContact N-O 2.82Å; G58-C78 PolarHBondContact O-N 2.91Å; G58-C78 VanDerWaalsContact O-O 3.12Å |
| 59 | T | 91.6 | Very high | 82.2 | Confident | 52 Ų | 52 | 76 Ų | 76 | 32% | 0.319 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.6 | 172.7 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | V49 T75 Q76 | V49-T59 PolarHBondContact N-O 3.4Å; V49-T59 PolarHBondContact O-N 3.47Å; T59-T75 HydrophobicContact CG2-CG2 4.23Å; T59-Q76 CarbonylContact C-O 3.56Å; T59-Q76 WeakPolarHBondContact CA-O 3.25Å |
| 60 | R | 90.5 | Very high | 81.4 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 29% | 0.291 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.3 | 172 | 63.5 | -179.5 | -175 | 168.5 | 0.9 | 109.6 | W45 S46 T75 Q76 C78 | W45-R60 HydrophobicContact CE3-CG 3.94Å; S46-R60 WeakPolarHBondContact O-CB 2.96Å; R60-T75 CarbonylContact O-C 3.57Å; R60-T75 WeakPolarHBondContact O-CA 2.79Å; R60-Q76 HydrophobicContact CG-CB 4.09Å; R60-Q76 PolarHBondContact N-O 2.94Å; R60-Q76 PolarHBondContact O-N 3.17Å; R60-C78 HydrophobicContact CG-CB 4.28Å |
| 61 | E | 91 | Very high | 80.8 | Confident | 112 Ų | 112 | 86 Ų | 86 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125 | 179.8 | -66 | -176 | 98.2 | 0 | 0 | 109.1 | S46 T75 | S46-E61 WeakPolarHBondContact CB-O 3.39Å; S46-E61 PolarHBondContact N-O 3.44Å; S46-E61 PolarHBondContact OG-N 2.01Å; S46-E61 PolarHBondContact OG-O 2.87Å; E61-T75 HydrophobicContact CG-CG2 4.32Å |
| 62 | G | 90.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | W43 Q44 I73 K74 | W43-G62 VanDerWaalsContact CZ3-O 3.31Å; W43-G62 WeakPolarHBondContact CZ3-O 3.32Å; Q44-G62 CarbonylContact O-C 3.57Å; Q44-G62 VanDerWaalsContact O-CA 3.28Å; Q44-G62 WeakPolarHBondContact O-CA 3.3Å; G62-I73 CarbonylContact O-C 3.56Å; G62-I73 WeakPolarHBondContact O-CA 3.31Å; G62-K74 PolarHBondContact N-O 3.48Å; G62-K74 PolarHBondContact O-N 3.48Å |
| 63 | T | 88.5 | Confident | 81.1 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 144.6 | 169.7 | -53.7 | 0 | 0 | 0 | 0 | 109.5 | Q44 T72 | Q44-T63 WeakPolarHBondContact CB-O 3.49Å; Q44-T63 PolarHBondContact N-O 3.17Å; Q44-T63 PolarHBondContact O-N 3.28Å; T63-T72 CarbonylContact C-O 3.57Å; T63-T72 VanDerWaalsContact CA-O 3.3Å; T63-T72 WeakPolarHBondContact CA-O 3.28Å |
| 64 | R | 86.3 | Confident | 81.6 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 18% | 0.181 | 45% | 0.446 | C | S | . | . | trans | -143 | 135.7 | -178 | -168.2 | 167.4 | 95.7 | 120.9 | -5.1 | 110.1 | C40 G41 D42 W43 T72 | C40-R64 PolarHBondContact O-NH1 3.2Å; C40-R64 VanDerWaalsContact O-NH1 3.12Å; C40-R64 PolarHBondContact SG-NE 2.87Å; C40-R64 PolarHBondContact SG-NH2 3.15Å; G41-R64 WeakPolarHBondContact O-CD 3.47Å; G41-R64 WeakPolarHBondContact O-CG 3.43Å; G41-R64 PolarHBondContact O-NH1 3.49Å; D42-R64 WeakPolarHBondContact O-CG 3.41Å; W43-R64 HydrophobicContact CD2-CB 3.99Å; W43-R64 HydrophobicContact CD2-CG 4.45Å; W43-R64 HydrophobicContact CE3-CB 3.64Å; W43-R64 HydrophobicContact CH2-CB 4.22Å; W43-R64 HydrophobicContact CZ3-CB 3.75Å; R64-T72 PolarHBondContact N-O 3.04Å | ||
| 65 | T | 78.7 | Confident | 82.1 | Confident | 117 Ų | 117 | 78.9 Ų | 78.9 | 72% | 0.718 | 43% | 0.429 | S | S | * | . | trans | -117.6 | 145.9 | -178.3 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | G41 C69 | G41-T65 PolarHBondContact N-O 3.24Å; T65-C69 VanDerWaalsContact C-SG 3.56Å | ||
| 66 | G | 76.4 | Confident | 82.3 | Confident | 44 Ų | 44 | 79.9 Ų | 79.9 | 45% | 0.454 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | 162.2 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | D68 C69 | G66-D68 PolarHBondContact O-N 3.02Å; G66-C69 VanDerWaalsContact C-SG 3.53Å; G66-C69 WeakPolarHBondContact CA-SG 3.36Å; G66-C69 PolarHBondContact N-SG 2Å; G66-C69 PolarHBondContact O-SG 3.12Å; G66-C69 VanDerWaalsContact O-SG 3.36Å |
| 67 | T | 68.4 | Low | 82.5 | Confident | 129 Ų | 129 | 88.9 Ų | 88.9 | 79% | 0.791 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -22.5 | -168.8 | 41.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 68 | D | 69.7 | Low | 82.7 | Confident | 113 Ų | 113 | 84 Ų | 84 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | 46.1 | -178.2 | -132.1 | -78.4 | 0 | 0 | 0 | 112.7 | G66 K70 | G66-D68 PolarHBondContact O-N 3.02Å; D68-K70 PolarHBondContact O-N 3.06Å |
| 69 | C | 69.2 | Low | 82.5 | Confident | 25 Ų | 25 | 92.1 Ų | 92.1 | 17% | 0.169 | 47% | 0.469 | C | S | . | . | trans | -85.9 | 103.6 | -177.7 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | C40 T65 G66 Q71 T72 | C40-C69 HydrophobicContact CB-CB 4.14Å; C40-C69 WeakPolarHBondContact CB-SG 3.43Å; C40-C69 WeakPolarHBondContact SG-CA 2.98Å; C40-C69 WeakPolarHBondContact SG-CB 2.98Å; C40-C69 CovalentContact SG-SG 2Å; C40-C69 PolarHBondContact SG-SG 3.12Å; T65-C69 VanDerWaalsContact C-SG 3.56Å; G66-C69 VanDerWaalsContact C-SG 3.53Å; G66-C69 WeakPolarHBondContact CA-SG 3.36Å; G66-C69 PolarHBondContact N-SG 2Å; G66-C69 PolarHBondContact O-SG 3.12Å; G66-C69 VanDerWaalsContact O-SG 3.36Å; C69-Q71 PolarHBondContact O-N 2.68Å; C69-T72 HydrophobicContact CB-CG2 4.21Å | ||
| 70 | K | 72.1 | Confident | 82.2 | Confident | 201 Ų | 201 | 91.3 Ų | 91.3 | 87% | 0.874 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -56.6 | -31.8 | 172.6 | -66.3 | -174 | 180 | -172.5 | 0 | 113.9 | D68 | D68-K70 PolarHBondContact O-N 3.06Š|
| 71 | Q | 71.9 | Confident | 81.7 | Confident | 119 Ų | 119 | 93.1 Ų | 93.1 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | trans | -136.9 | 123.3 | 176 | -71.3 | -174.8 | -37.7 | 0 | 0 | 108.6 | W43 C69 | W43-Q71 HydrophobicContact CH2-CB 4.13Å; W43-Q71 WeakPolarHBondContact CH2-O 3.45Å; C69-Q71 PolarHBondContact O-N 2.68Å | ||
| 72 | T | 80.3 | Confident | 80.9 | Confident | 80 Ų | 80 | 90.3 Ų | 90.3 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -93.6 | -21.9 | 177.1 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | T63 R64 C69 | T63-T72 CarbonylContact C-O 3.57Å; T63-T72 VanDerWaalsContact CA-O 3.3Å; T63-T72 WeakPolarHBondContact CA-O 3.28Å; R64-T72 PolarHBondContact N-O 3.04Å; C69-T72 HydrophobicContact CB-CG2 4.21Å |
| 73 | I | 84.9 | Confident | 80 | Confident | 103 Ų | 103 | 95.2 Ų | 95.2 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.7 | 180 | -55.5 | 173.1 | 0 | 0 | 0 | 109.2 | G62 | G62-I73 CarbonylContact O-C 3.56Å; G62-I73 WeakPolarHBondContact O-CA 3.31Å |
| 74 | K | 86.1 | Confident | 78.8 | Confident | 89 Ų | 89 | 97.4 Ų | 97.4 | 39% | 0.387 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 128.7 | 176.5 | 179.7 | 171.2 | 176.5 | -179.6 | 0 | 110.7 | W43 W45 G62 | W43-K74 HydrophobicContact CE3-CB 4.07Å; W43-K74 HydrophobicContact CH2-CB 3.46Å; W43-K74 VanDerWaalsContact CH2-CB 3.46Å; W43-K74 HydrophobicContact CH2-CD 4.33Å; W43-K74 HydrophobicContact CZ2-CB 4.03Å; W43-K74 HydrophobicContact CZ2-CD 4.05Å; W43-K74 HydrophobicContact CZ3-CB 3.48Å; W43-K74 VanDerWaalsContact CZ3-CB 3.48Å; W45-K74 HydrophobicContact CH2-CB 4.24Å; W45-K74 HydrophobicContact CH2-CD 3.93Å; W45-K74 HydrophobicContact CH2-CG 3.98Å; W45-K74 HydrophobicContact CZ3-CB 4.48Å; W45-K74 HydrophobicContact CZ3-CG 4.42Å; W45-K74 WeakPolarHBondContact CZ3-O 3.45Å; G62-K74 PolarHBondContact N-O 3.48Å; G62-K74 PolarHBondContact O-N 3.48Å |
| 75 | T | 88.4 | Confident | 77.5 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.6 | 170.6 | -44.3 | 0 | 0 | 0 | 0 | 109.6 | T59 R60 E61 | T59-T75 HydrophobicContact CG2-CG2 4.23Å; R60-T75 CarbonylContact O-C 3.57Å; R60-T75 WeakPolarHBondContact O-CA 2.79Å; E61-T75 HydrophobicContact CG-CG2 4.32Å |
| 76 | Q | 86.6 | Confident | 76.8 | Confident | 69 Ų | 69 | 104.9 Ų | 104.9 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.4 | 175.6 | -166.6 | -170.7 | 65.5 | 0 | 0 | 110.4 | W45 T59 R60 | W45-Q76 HydrophobicContact CE3-CB 4.26Å; W45-Q76 HydrophobicContact CH2-CB 3.89Å; W45-Q76 HydrophobicContact CZ3-CB 3.57Å; T59-Q76 CarbonylContact C-O 3.56Å; T59-Q76 WeakPolarHBondContact CA-O 3.25Å; R60-Q76 HydrophobicContact CG-CB 4.09Å; R60-Q76 PolarHBondContact N-O 2.94Å; R60-Q76 PolarHBondContact O-N 3.17Å |
| 77 | R | 87.1 | Confident | 76 | Confident | 207 Ų | 207 | 111.9 Ų | 111.9 | 78% | 0.781 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 137 | 170.8 | -61.4 | -176.6 | -175.7 | -171.9 | 1.9 | 109.9 | G58 | G58-R77 WeakPolarHBondContact O-CA 3.46Å |
| 78 | C | 87.8 | Confident | 75.7 | Confident | 22 Ų | 22 | 107.2 Ų | 107.2 | 15% | 0.149 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 162.1 | -180 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | C48 G58 R60 | C48-C78 VanDerWaalsContact CA-SG 3.54Å; C48-C78 HydrophobicContact CB-CB 3.83Å; C48-C78 WeakPolarHBondContact CB-SG 2.92Å; C48-C78 WeakPolarHBondContact SG-CB 3.46Å; C48-C78 CovalentContact SG-SG 2Å; C48-C78 PolarHBondContact SG-SG 3.12Å; G58-C78 VanDerWaalsContact C-SG 3.53Å; G58-C78 PolarHBondContact N-O 2.82Å; G58-C78 PolarHBondContact O-N 2.91Å; G58-C78 VanDerWaalsContact O-O 3.12Å; R60-C78 HydrophobicContact CG-CB 4.28Å |
| 79 | K | 85.2 | Confident | 75.2 | Confident | 171 Ų | 171 | 103.5 Ų | 103.5 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 112.3 | -179 | -170.6 | 179.4 | 179.8 | -171 | 0 | 108.9 | G56 L57 | G56-K79 CarbonylContact O-C 3.54Å; G56-K79 WeakPolarHBondContact O-CA 3.06Å; L57-K79 HydrophobicContact CD2-CG 4.41Å |
| 80 | I | 85.9 | Confident | 75.1 | Confident | 35 Ų | 35 | 106.2 Ų | 106.2 | 18% | 0.179 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 119.9 | 176.5 | -56.1 | 172 | 0 | 0 | 0 | 107.2 | C48 A50 C55 G56 C82 | C48-I80 HydrophobicContact CB-CD1 4.31Å; C48-I80 HydrophobicContact CB-CG1 3.93Å; C48-I80 VanDerWaalsContact O-CD1 3.27Å; C48-I80 WeakPolarHBondContact O-CD1 3.38Å; C48-I80 WeakPolarHBondContact SG-CG1 3.38Å; A50-I80 HydrophobicContact CB-CD1 3.72Å; A50-I80 VanDerWaalsContact N-CD1 3.29Å; C55-I80 HydrophobicContact CB-CG2 4.37Å; G56-I80 PolarHBondContact N-O 2.83Å; G56-I80 PolarHBondContact O-N 2.68Å; I80-C82 PolarHBondContact O-N 3.2Å; I80-C82 VanDerWaalsContact O-N 3.1Å |
| 81 | P | 79.8 | Confident | 75 | Confident | 115 Ų | 115 | 102.3 Ų | 102.3 | 75% | 0.747 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 116 | -179.7 | 25.1 | -32.2 | 0 | 0 | 0 | 110 | N83 | P81-N83 PolarHBondContact O-N 3.25Š|
| 82 | C | 75.3 | Confident | 75.3 | Confident | 54 Ų | 54 | 97.7 Ų | 97.7 | 37% | 0.365 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 119.7 | 170.8 | -73.7 | 0 | 0 | 0 | 0 | 110.1 | C55 G56 I80 W84 | C55-C82 HydrophobicContact CB-CB 3.77Å; C55-C82 WeakPolarHBondContact CB-SG 2.98Å; C55-C82 WeakPolarHBondContact SG-CA 3.41Å; C55-C82 WeakPolarHBondContact SG-CB 3.38Å; C55-C82 CovalentContact SG-SG 2.04Å; C55-C82 PolarHBondContact SG-SG 2.89Å; G56-C82 PolarHBondContact N-SG 2.73Å; G56-C82 VanDerWaalsContact N-SG 3.42Å; I80-C82 PolarHBondContact O-N 3.2Å; I80-C82 VanDerWaalsContact O-N 3.1Å; C82-W84 PolarHBondContact O-N 3.46Å |
| 83 | N | 70.8 | Confident | 75.4 | Confident | 103 Ų | 103 | 100.7 Ų | 100.7 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | trans | -82.4 | 59 | 170.1 | -162.2 | -0.2 | 0 | 0 | 0 | 111 | P81 K85 K86 | P81-N83 PolarHBondContact O-N 3.25Å; N83-K85 PolarHBondContact O-N 3.04Å; N83-K86 HydrophobicContact CB-CB 4.42Å; N83-K86 WeakPolarHBondContact O-CB 3.09Å; N83-K86 PolarHBondContact O-N 2.86Å; N83-K86 PolarHBondContact OD1-N 3.36Å | ||
| 84 | W | 63.9 | Low | 75.3 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 45% | 0.447 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -61.8 | -22.3 | 175.6 | 59.5 | -85.7 | 0 | 0 | 0 | 111.6 | C82 K86 F88 | C82-W84 PolarHBondContact O-N 3.46Å; W84-K86 VanDerWaalsContact C-N 3.34Å; W84-F88 HydrophobicContact CE3-CD2 4.47Å; W84-F88 AromaticContact CE3-CE2 3.88Å; W84-F88 HydrophobicContact CE3-CE2 3.88Å; W84-F88 HydrophobicContact CZ3-CE2 4.36Å; W84-F88 VanDerWaalsContact O-CD2 3.24Å; W84-F88 WeakPolarHBondContact O-CD2 3.46Å; W84-F88 WeakPolarHBondContact O-CE2 2.99Å |
| 85 | K | 60.3 | Low | 75.2 | Confident | 154 Ų | 154 | 98 Ų | 98 | 67% | 0.67 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -72.6 | -23.7 | 178.7 | -154.1 | 166.3 | -174.3 | -179.1 | 0 | 113.5 | N83 K87 F88 | N83-K85 PolarHBondContact O-N 3.04Å; K85-K87 VanDerWaalsContact C-N 3.27Å; K85-K87 PolarHBondContact O-N 2.79Å; K85-F88 PolarHBondContact O-N 3.26Å |
| 86 | K | 62.4 | Low | 75.1 | Confident | 168 Ų | 168 | 96.7 Ų | 96.7 | 73% | 0.73 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -63.6 | -31.6 | 178.7 | -139.9 | -178.7 | -174.2 | 177.9 | 0 | 112.9 | N83 W84 F88 G89 | N83-K86 HydrophobicContact CB-CB 4.42Å; N83-K86 WeakPolarHBondContact O-CB 3.09Å; N83-K86 PolarHBondContact O-N 2.86Å; N83-K86 PolarHBondContact OD1-N 3.36Å; W84-K86 VanDerWaalsContact C-N 3.34Å; K86-F88 PolarHBondContact O-N 3.4Å; K86-G89 PolarHBondContact O-N 3.2Å |
| 87 | K | 59.9 | Low | 75.1 | Confident | 192 Ų | 192 | 99.6 Ų | 99.6 | 84% | 0.835 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -65.5 | -21.5 | 178.2 | -71.4 | -75.1 | -173.1 | 172.3 | 0 | 113.3 | K85 | K85-K87 VanDerWaalsContact C-N 3.27Å; K85-K87 PolarHBondContact O-N 2.79Å |
| 88 | F | 63.3 | Low | 75.1 | Confident | 31 Ų | 31 | 96.9 Ų | 96.9 | 14% | 0.136 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -91.3 | -6.7 | -177.4 | -58.6 | -76.7 | 0 | 0 | 0 | 113.2 | W84 K85 K86 Y94 F96 V128 A130 | W84-F88 HydrophobicContact CE3-CD2 4.47Å; W84-F88 AromaticContact CE3-CE2 3.88Å; W84-F88 HydrophobicContact CE3-CE2 3.88Å; W84-F88 HydrophobicContact CZ3-CE2 4.36Å; W84-F88 VanDerWaalsContact O-CD2 3.24Å; W84-F88 WeakPolarHBondContact O-CD2 3.46Å; W84-F88 WeakPolarHBondContact O-CE2 2.99Å; K85-F88 PolarHBondContact O-N 3.26Å; K86-F88 PolarHBondContact O-N 3.4Å; F88-Y94 HydrophobicContact CB-CD2 4.47Å; F88-Y94 HydrophobicContact CD1-CD2 4.27Å; F88-F96 AromaticContact CD1-CZ 3.83Å; F88-F96 HydrophobicContact CD1-CZ 3.83Å; F88-F96 HydrophobicContact CD2-CZ 4.37Å; F88-F96 HydrophobicContact CE1-CE1 4.02Å; F88-F96 AromaticContact CE1-CZ 3.72Å; F88-F96 HydrophobicContact CE1-CZ 3.72Å; F88-F96 HydrophobicContact CE2-CZ 4.3Å; F88-F96 HydrophobicContact CG-CZ 4.15Å; F88-F96 HydrophobicContact CZ-CE1 4.17Å; F88-F96 AromaticContact CZ-CZ 3.98Å; F88-F96 HydrophobicContact CZ-CZ 3.98Å; F88-V128 HydrophobicContact CD1-CB 4.12Å; F88-V128 HydrophobicContact CD1-CG2 3.66Å; F88-V128 HydrophobicContact CE1-CB 3.69Å; F88-V128 HydrophobicContact CE1-CG1 4.48Å; F88-V128 HydrophobicContact CE1-CG2 3.42Å; F88-V128 VanDerWaalsContact CE1-CG2 3.42Å; F88-A130 HydrophobicContact CE2-CB 4.45Å; F88-A130 HydrophobicContact CZ-CB 3.91Å |
| 89 | G | 59.2 | Low | 74.8 | Confident | 34 Ų | 34 | 99.1 Ų | 99.1 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 156.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K86 E91 | K86-G89 PolarHBondContact O-N 3.2Å; G89-E91 PolarHBondContact O-N 2.68Å |
| 90 | G | 65.2 | Low | 74.8 | Confident | 82 Ų | 82 | 92.6 Ų | 92.6 | 85% | 0.845 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 91 | E | 69.9 | Low | 74.6 | Confident | 120 Ų | 120 | 99.7 Ų | 99.7 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -25.5 | -166 | -66.7 | 151.6 | 98 | 0 | 0 | 113.4 | G89 L119 A122 | G89-E91 PolarHBondContact O-N 2.68Å; E91-L119 PolarHBondContact O-N 3.01Å; E91-L119 VanDerWaalsContact O-N 3.1Å; E91-A122 HydrophobicContact CB-CB 3.91Å |
| 92 | C | 78.6 | Confident | 74.7 | Confident | 21 Ų | 21 | 96.5 Ų | 96.5 | 14% | 0.142 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 115.2 | -174.4 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | Y94 L115 C124 | C92-Y94 HydrophobicContact CB-CD2 4.13Å; C92-Y94 HydrophobicContact CB-CE2 3.32Å; C92-Y94 WeakPolarHBondContact O-CD2 3.41Å; C92-L115 HydrophobicContact CB-CD1 4.06Å; C92-C124 HydrophobicContact CB-CB 3.81Å; C92-C124 WeakPolarHBondContact CB-SG 3.43Å; C92-C124 WeakPolarHBondContact SG-CB 3.26Å; C92-C124 CovalentContact SG-SG 2.02Å; C92-C124 PolarHBondContact SG-SG 3.44Å |
| 93 | K | 82.4 | Confident | 75.1 | Confident | 143 Ų | 143 | 97.6 Ų | 97.6 | 62% | 0.622 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115.9 | 177.3 | -173.1 | 173.6 | -178 | 179.3 | 0 | 110.2 | K116 R117 | K93-K116 PolarHBondContact O-N 3.24Å; K93-R117 HydrophobicContact CB-CB 4.27Å; K93-R117 PolarHBondContact N-O 3.01Å; K93-R117 PolarHBondContact O-N 2.92Å |
| 94 | Y | 83.7 | Confident | 75.4 | Confident | 29 Ų | 29 | 99.9 Ų | 99.9 | 11% | 0.114 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.5 | 178.4 | -65.8 | -84.4 | 0 | 0 | 0 | 112.1 | F88 C92 V114 L115 S125 V128 | F88-Y94 HydrophobicContact CB-CD2 4.47Å; F88-Y94 HydrophobicContact CD1-CD2 4.27Å; C92-Y94 HydrophobicContact CB-CD2 4.13Å; C92-Y94 HydrophobicContact CB-CE2 3.32Å; C92-Y94 WeakPolarHBondContact O-CD2 3.41Å; Y94-V114 CarbonylContact C-O 3.37Å; Y94-V114 WeakPolarHBondContact CA-O 3.21Å; Y94-L115 HydrophobicContact CD1-CB 4.06Å; Y94-L115 HydrophobicContact CD1-CD1 4.21Å; Y94-L115 HydrophobicContact CE1-CB 3.71Å; Y94-L115 HydrophobicContact CE1-CD1 3.73Å; Y94-L115 HydrophobicContact CE1-CG 4.31Å; Y94-L115 HydrophobicContact CE2-CD1 4.33Å; Y94-S125 WeakPolarHBondContact CE1-O 3.36Å; Y94-S125 PolarHBondContact OH-N 2.98Å; Y94-S125 PolarHBondContact OH-O 3.38Å; Y94-V128 HydrophobicContact CD1-CB 4.44Å; Y94-V128 HydrophobicContact CD1-CG1 4.18Å; Y94-V128 HydrophobicContact CD1-CG2 3.47Å; Y94-V128 VanDerWaalsContact CD1-CG2 3.47Å; Y94-V128 HydrophobicContact CD2-CG2 4.05Å; Y94-V128 HydrophobicContact CE1-CB 4.26Å; Y94-V128 HydrophobicContact CE1-CG1 3.55Å; Y94-V128 HydrophobicContact CE1-CG2 3.76Å; Y94-V128 HydrophobicContact CE2-CG1 4.07Å; Y94-V128 HydrophobicContact CE2-CG2 4.27Å; Y94-V128 HydrophobicContact CG-CG2 3.65Å; Y94-V128 VanDerWaalsContact CZ-CG1 3.49Å |
| 95 | E | 84.8 | Confident | 76 | Confident | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 110.5 | 168.3 | -175.9 | 157.7 | -137 | 0 | 0 | 108.5 | G113 V114 K116 | E95-G113 CarbonylContact O-C 3.55Å; E95-G113 VanDerWaalsContact O-CA 3.28Å; E95-G113 WeakPolarHBondContact O-CA 3.49Å; E95-V114 PolarHBondContact N-O 2.71Å; E95-V114 PolarHBondContact O-N 3.05Å; E95-K116 HydrophobicContact CB-CB 4.45Å; E95-K116 HydrophobicContact CB-CD 4.28Å; E95-K116 IonicContact OE1-NZ 2.93Å; E95-K116 PolarHBondContact OE1-NZ 3.25Å; E95-K116 WeakPolarHBondContact OE2-CD 3.4Å; E95-K116 WeakPolarHBondContact OE2-CE 3.42Å; E95-K116 IonicContact OE2-NZ 2.74Å; E95-K116 PolarHBondContact OE2-NZ 3.04Å |
| 96 | F | 84.6 | Confident | 76.6 | Confident | 55 Ų | 55 | 95.2 Ų | 95.2 | 24% | 0.241 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130.9 | -179.7 | -69.9 | -85.3 | 0 | 0 | 0 | 110.3 | F88 R111 V128 A130 | F88-F96 AromaticContact CD1-CZ 3.83Å; F88-F96 HydrophobicContact CD1-CZ 3.83Å; F88-F96 HydrophobicContact CD2-CZ 4.37Å; F88-F96 HydrophobicContact CE1-CE1 4.02Å; F88-F96 AromaticContact CE1-CZ 3.72Å; F88-F96 HydrophobicContact CE1-CZ 3.72Å; F88-F96 HydrophobicContact CE2-CZ 4.3Å; F88-F96 HydrophobicContact CG-CZ 4.15Å; F88-F96 HydrophobicContact CZ-CE1 4.17Å; F88-F96 AromaticContact CZ-CZ 3.98Å; F88-F96 HydrophobicContact CZ-CZ 3.98Å; F96-R111 HydrophobicContact CD1-CG 4.08Å; F96-V128 HydrophobicContact CE1-CG2 4.1Å; F96-V128 HydrophobicContact CZ-CG2 4.2Å; F96-A130 HydrophobicContact CD1-CB 4.38Å; F96-A130 HydrophobicContact CE1-CB 3.89Å |
| 97 | Q | 87.2 | Confident | 77.2 | Confident | 130 Ų | 130 | 87.6 Ų | 87.6 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -69 | 171.1 | 166.3 | -65.7 | -172 | -37.2 | 0 | 0 | 111 | T112 | Q97-T112 PolarHBondContact N-O 3.01Š|
| 98 | D | 87.5 | Confident | 78.1 | Confident | 151 Ų | 151 | 82.9 Ų | 82.9 | 81% | 0.807 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -57 | 156 | 173.7 | -71.9 | -63.9 | 0 | 0 | 0 | 112.1 | G100 | D98-G100 PolarHBondContact O-N 2.68Š|
| 99 | W | 82.1 | Confident | 79.2 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 26% | 0.261 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 123.7 | 175.6 | -71.7 | 96.7 | 0 | 0 | 0 | 109.6 | K109 R111 A130 K132 | W99-K109 HydrophobicContact CB-CD 3.93Å; W99-K109 HydrophobicContact CD2-CD 4.16Å; W99-K109 HydrophobicContact CD2-CG 4.29Å; W99-K109 HydrophobicContact CE3-CB 4.38Å; W99-K109 HydrophobicContact CE3-CD 4.05Å; W99-K109 HydrophobicContact CE3-CG 3.69Å; W99-K109 HydrophobicContact CG-CD 4.14Å; W99-K109 VanDerWaalsContact CG-CE 3.5Å; W99-K109 VanDerWaalsContact CG-NZ 3.28Å; W99-K109 HydrophobicContact CZ3-CG 4.28Å; W99-R111 HydrophobicContact CD2-CB 4.26Å; W99-R111 HydrophobicContact CD2-CG 4.2Å; W99-R111 HydrophobicContact CE3-CB 3.86Å; W99-R111 HydrophobicContact CE3-CG 3.83Å; W99-R111 HydrophobicContact CH2-CG 3.92Å; W99-R111 HydrophobicContact CZ2-CG 4.29Å; W99-R111 HydrophobicContact CZ3-CB 4.17Å; W99-R111 HydrophobicContact CZ3-CG 3.7Å; W99-A130 HydrophobicContact CH2-CB 4.4Å; W99-A130 WeakPolarHBondContact CZ3-O 3.35Å; W99-K132 HydrophobicContact CE3-CB 4.15Å; W99-K132 HydrophobicContact CH2-CB 3.3Å; W99-K132 HydrophobicContact CH2-CD 4.13Å; W99-K132 HydrophobicContact CH2-CG 4.31Å; W99-K132 HydrophobicContact CZ2-CB 3.91Å; W99-K132 HydrophobicContact CZ2-CD 3.82Å; W99-K132 HydrophobicContact CZ2-CG 4.49Å; W99-K132 HydrophobicContact CZ3-CB 3.42Å; W99-K132 VanDerWaalsContact CZ3-CB 3.42Å |
| 100 | G | 83.8 | Confident | 80.3 | Confident | 33 Ų | 33 | 86.5 Ų | 86.5 | 34% | 0.34 | 47% | 0.471 | S | S | . | . | trans | -63.6 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D98 N110 | D98-G100 PolarHBondContact O-N 2.68Å; G100-N110 PolarHBondContact N-O 2.77Å | ||
| 101 | E | 81.8 | Confident | 81.3 | Confident | 184 Ų | 184 | 84.6 Ų | 84.6 | 86% | 0.86 | 44% | 0.438 | S | S | * | . | trans | -56.7 | 150.8 | 176.3 | -70.7 | -173.3 | 88.7 | 0 | 0 | 111.8 | D103 | E101-D103 PolarHBondContact O-N 2.75Š| ||
| 102 | C | 82.8 | Confident | 82.1 | Confident | 48 Ų | 48 | 81.3 Ų | 81.3 | 32% | 0.324 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 118.5 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | L104 C134 | C102-L104 PolarHBondContact O-N 3.34Å; C102-C134 VanDerWaalsContact CA-SG 3.53Å; C102-C134 HydrophobicContact CB-CB 3.92Å; C102-C134 WeakPolarHBondContact CB-SG 3.33Å; C102-C134 WeakPolarHBondContact SG-CB 3.42Å; C102-C134 CovalentContact SG-SG 2.01Å; C102-C134 PolarHBondContact SG-SG 2.89Å |
| 103 | D | 82.3 | Confident | 82.5 | Confident | 77 Ų | 77 | 80.3 Ų | 80.3 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 114.2 | 167.3 | 175.8 | 8.8 | 0 | 0 | 0 | 109 | E101 A105 T106 G107 K108 | E101-D103 PolarHBondContact O-N 2.75Å; D103-A105 VanDerWaalsContact C-N 3.29Å; D103-A105 PolarHBondContact O-N 2.8Å; D103-A105 WeakPolarHBondContact OD1-CB 3.07Å; D103-A105 PolarHBondContact OD1-N 2.61Å; D103-T106 WeakPolarHBondContact OD2-CB 3.43Å; D103-T106 PolarHBondContact OD2-OG1 2.7Å; D103-G107 VanDerWaalsContact O-CA 3.25Å; D103-G107 WeakPolarHBondContact O-CA 3.39Å; D103-G107 PolarHBondContact O-N 2.84Å; D103-K108 PolarHBondContact N-O 2.71Å; D103-K108 VanDerWaalsContact N-O 3.15Å; D103-K108 PolarHBondContact O-N 2.7Å |
| 104 | L | 77.9 | Confident | 82.7 | Confident | 152 Ų | 152 | 77.1 Ų | 77.1 | 80% | 0.796 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.7 | -179.4 | -62 | 177.5 | 0 | 0 | 0 | 112.5 | C102 | C102-L104 PolarHBondContact O-N 3.34Š|
| 105 | A | 76.4 | Confident | 82.8 | Confident | 95 Ų | 95 | 78.1 Ų | 78.1 | 79% | 0.785 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | D103 | D103-A105 VanDerWaalsContact C-N 3.29Å; D103-A105 PolarHBondContact O-N 2.8Å; D103-A105 WeakPolarHBondContact OD1-CB 3.07Å; D103-A105 PolarHBondContact OD1-N 2.61Å |
| 106 | T | 72.8 | Confident | 82.8 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 49% | 0.485 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -17.1 | -177.1 | -38.9 | 0 | 0 | 0 | 0 | 112.8 | D103 K108 | D103-T106 WeakPolarHBondContact OD2-CB 3.43Å; D103-T106 PolarHBondContact OD2-OG1 2.7Å; T106-K108 HydrophobicContact CG2-CB 4.36Å; T106-K108 HydrophobicContact CG2-CD 3.76Å; T106-K108 HydrophobicContact CG2-CG 4.16Å; T106-K108 PolarHBondContact O-N 2.72Å |
| 107 | G | 75 | Confident | 82.6 | Confident | 8 Ų | 8 | 84.4 Ų | 84.4 | 8% | 0.082 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 23.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D103 C134 | D103-G107 VanDerWaalsContact O-CA 3.25Å; D103-G107 WeakPolarHBondContact O-CA 3.39Å; D103-G107 PolarHBondContact O-N 2.84Å; G107-C134 PolarHBondContact O-N 3.43Å |
| 108 | K | 80 | Confident | 82.2 | Confident | 93 Ų | 93 | 80 Ų | 80 | 40% | 0.404 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.8 | -173.3 | -67.5 | 175.6 | -164.5 | 173.7 | 0 | 108.3 | D103 T106 T131 K132 | D103-K108 PolarHBondContact N-O 2.71Å; D103-K108 VanDerWaalsContact N-O 3.15Å; D103-K108 PolarHBondContact O-N 2.7Å; T106-K108 HydrophobicContact CG2-CB 4.36Å; T106-K108 HydrophobicContact CG2-CD 3.76Å; T106-K108 HydrophobicContact CG2-CG 4.16Å; T106-K108 PolarHBondContact O-N 2.72Å; K108-T131 HydrophobicContact CB-CG2 3.7Å; K108-T131 HydrophobicContact CD-CG2 3.85Å; K108-T131 HydrophobicContact CG-CG2 4.11Å; K108-K132 WeakPolarHBondContact CA-O 3.43Å |
| 109 | K | 84.4 | Confident | 81.5 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.6 | 169.4 | 57.2 | -177.2 | -161.6 | 162.5 | 0 | 108.9 | W99 T131 K132 C134 | W99-K109 HydrophobicContact CB-CD 3.93Å; W99-K109 HydrophobicContact CD2-CD 4.16Å; W99-K109 HydrophobicContact CD2-CG 4.29Å; W99-K109 HydrophobicContact CE3-CB 4.38Å; W99-K109 HydrophobicContact CE3-CD 4.05Å; W99-K109 HydrophobicContact CE3-CG 3.69Å; W99-K109 HydrophobicContact CG-CD 4.14Å; W99-K109 VanDerWaalsContact CG-CE 3.5Å; W99-K109 VanDerWaalsContact CG-NZ 3.28Å; W99-K109 HydrophobicContact CZ3-CG 4.28Å; K109-T131 WeakPolarHBondContact O-CA 3.38Å; K109-K132 HydrophobicContact CG-CB 4.29Å; K109-K132 WeakPolarHBondContact CG-O 3.28Å; K109-K132 PolarHBondContact N-O 2.95Å; K109-K132 PolarHBondContact O-N 3.28Å; K109-C134 PolarHBondContact N-SG 2.96Å |
| 110 | N | 84.3 | Confident | 80.8 | Confident | 90 Ų | 90 | 82.5 Ų | 82.5 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 158.7 | 174.8 | 57.7 | 25.8 | 0 | 0 | 0 | 109.5 | G100 T129 A130 | G100-N110 PolarHBondContact N-O 2.77Å; N110-T129 HydrophobicContact CB-CG2 4.03Å; N110-A130 CarbonylContact C-O 3.59Å; N110-A130 WeakPolarHBondContact CA-O 3.45Å |
| 111 | R | 86.1 | Confident | 80 | Confident | 43 Ų | 43 | 88.6 Ų | 88.6 | 16% | 0.162 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.9 | 162.7 | 68.2 | 177.4 | -176.9 | 168.6 | 7.6 | 108.5 | F96 W99 T129 A130 | F96-R111 HydrophobicContact CD1-CG 4.08Å; W99-R111 HydrophobicContact CD2-CB 4.26Å; W99-R111 HydrophobicContact CD2-CG 4.2Å; W99-R111 HydrophobicContact CE3-CB 3.86Å; W99-R111 HydrophobicContact CE3-CG 3.83Å; W99-R111 HydrophobicContact CH2-CG 3.92Å; W99-R111 HydrophobicContact CZ2-CG 4.29Å; W99-R111 HydrophobicContact CZ3-CB 4.17Å; W99-R111 HydrophobicContact CZ3-CG 3.7Å; R111-T129 WeakPolarHBondContact O-CA 3.39Å; R111-A130 HydrophobicContact CG-CB 3.88Å; R111-A130 PolarHBondContact N-O 3.48Å; R111-A130 PolarHBondContact O-N 3.43Å |
| 112 | T | 85.3 | Confident | 79.4 | Confident | 51 Ų | 51 | 80.9 Ų | 80.9 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.2 | -177.7 | -45.8 | 0 | 0 | 0 | 0 | 109 | Q97 T127 | Q97-T112 PolarHBondContact N-O 3.01Å; T112-T127 HydrophobicContact CG2-CG2 3.15Å |
| 113 | G | 87.1 | Confident | 79 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E95 T127 V128 | E95-G113 CarbonylContact O-C 3.55Å; E95-G113 VanDerWaalsContact O-CA 3.28Å; E95-G113 WeakPolarHBondContact O-CA 3.49Å; G113-T127 CarbonylContact O-C 3.52Å; G113-T127 WeakPolarHBondContact O-CA 3.35Å; G113-V128 PolarHBondContact N-O 2.98Å; G113-V128 PolarHBondContact O-N 3.2Å |
| 114 | V | 86.8 | Confident | 78.7 | Confident | 76 Ų | 76 | 83.2 Ų | 83.2 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.4 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | Y94 E95 K116 | Y94-V114 CarbonylContact C-O 3.37Å; Y94-V114 WeakPolarHBondContact CA-O 3.21Å; E95-V114 PolarHBondContact N-O 2.71Å; E95-V114 PolarHBondContact O-N 3.05Å; V114-K116 PolarHBondContact O-N 3.04Å |
| 115 | L | 85.2 | Confident | 78.8 | Confident | 50 Ų | 50 | 79.6 Ų | 79.6 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 120.8 | 179.2 | -176.9 | 66.1 | 0 | 0 | 0 | 110.1 | C92 Y94 A118 C124 A126 | C92-L115 HydrophobicContact CB-CD1 4.06Å; Y94-L115 HydrophobicContact CD1-CB 4.06Å; Y94-L115 HydrophobicContact CD1-CD1 4.21Å; Y94-L115 HydrophobicContact CE1-CB 3.71Å; Y94-L115 HydrophobicContact CE1-CD1 3.73Å; Y94-L115 HydrophobicContact CE1-CG 4.31Å; Y94-L115 HydrophobicContact CE2-CD1 4.33Å; L115-A118 HydrophobicContact CD2-CB 4.38Å; L115-C124 HydrophobicContact CD1-CB 3.77Å; L115-C124 HydrophobicContact CD2-CB 3.64Å; L115-C124 HydrophobicContact CG-CB 4.37Å; L115-A126 WeakPolarHBondContact CB-O 3.42Å; L115-A126 PolarHBondContact N-O 2.96Å |
| 116 | K | 85.3 | Confident | 79 | Confident | 127 Ų | 127 | 78.4 Ų | 78.4 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -33.2 | 177.9 | -164.8 | 170.5 | -166 | 144.7 | 0 | 112.3 | K93 E95 V114 | K93-K116 PolarHBondContact O-N 3.24Å; E95-K116 HydrophobicContact CB-CB 4.45Å; E95-K116 HydrophobicContact CB-CD 4.28Å; E95-K116 IonicContact OE1-NZ 2.93Å; E95-K116 PolarHBondContact OE1-NZ 3.25Å; E95-K116 WeakPolarHBondContact OE2-CD 3.4Å; E95-K116 WeakPolarHBondContact OE2-CE 3.42Å; E95-K116 IonicContact OE2-NZ 2.74Å; E95-K116 PolarHBondContact OE2-NZ 3.04Å; V114-K116 PolarHBondContact O-N 3.04Å |
| 117 | R | 81.3 | Confident | 79.5 | Confident | 167 Ų | 167 | 78.5 Ų | 78.5 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156 | 133.4 | 178.4 | 177 | 173.8 | 152 | 87.9 | 0.4 | 110.3 | K93 | K93-R117 HydrophobicContact CB-CB 4.27Å; K93-R117 PolarHBondContact N-O 3.01Å; K93-R117 PolarHBondContact O-N 2.92Å |
| 118 | A | 77.4 | Confident | 79.9 | Confident | 37 Ų | 37 | 79.1 Ų | 79.1 | 31% | 0.306 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 147.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L115 C124 | L115-A118 HydrophobicContact CD2-CB 4.38Å; A118-C124 HydrophobicContact CB-CB 4.2Å; A118-C124 WeakPolarHBondContact CB-SG 3.34Å |
| 119 | L | 73.8 | Confident | 80.1 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | trans | -68.5 | 143.3 | 157.9 | -83.8 | 138.1 | 0 | 0 | 0 | 108.5 | E91 D121 A122 | E91-L119 PolarHBondContact O-N 3.01Å; E91-L119 VanDerWaalsContact O-N 3.1Å; L119-D121 PolarHBondContact O-N 3.3Å; L119-A122 PolarHBondContact O-N 3.46Å | ||
| 120 | M | 66.5 | Low | 79.9 | Confident | 183 Ų | 183 | 76.6 Ų | 76.6 | 90% | 0.901 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.7 | -165.9 | -59.9 | -114.5 | 70.9 | 0 | 0 | 113.6 | ||
| 121 | D | 67 | Low | 79.7 | Confident | 160 Ų | 160 | 76.2 Ų | 76.2 | 86% | 0.856 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 1.9 | -178.7 | -52.5 | -71.2 | 0 | 0 | 0 | 114.1 | L119 | L119-D121 PolarHBondContact O-N 3.3Š|
| 122 | A | 69.6 | Low | 79.3 | Confident | 22 Ų | 22 | 79.2 Ų | 79.2 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | trans | -101.1 | 123.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E91 L119 C124 | E91-A122 HydrophobicContact CB-CB 3.91Å; L119-A122 PolarHBondContact O-N 3.46Å; A122-C124 VanDerWaalsContact C-N 3.32Å; A122-C124 PolarHBondContact O-N 3.26Å | ||
| 123 | T | 74.6 | Confident | 78.9 | Confident | 151 Ų | 151 | 81.4 Ų | 81.4 | 93% | 0.926 | 46% | 0.457 | S | S | * | . | trans | -75.9 | 83.1 | 169.6 | -51.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 124 | C | 75.7 | Confident | 78.3 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 16% | 0.162 | 46% | 0.463 | C | S | . | . | trans | -87.3 | 133.3 | 178 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | C92 L115 A118 A122 | C92-C124 HydrophobicContact CB-CB 3.81Å; C92-C124 WeakPolarHBondContact CB-SG 3.43Å; C92-C124 WeakPolarHBondContact SG-CB 3.26Å; C92-C124 CovalentContact SG-SG 2.02Å; C92-C124 PolarHBondContact SG-SG 3.44Å; L115-C124 HydrophobicContact CD1-CB 3.77Å; L115-C124 HydrophobicContact CD2-CB 3.64Å; L115-C124 HydrophobicContact CG-CB 4.37Å; A118-C124 HydrophobicContact CB-CB 4.2Å; A118-C124 WeakPolarHBondContact CB-SG 3.34Å; A122-C124 VanDerWaalsContact C-N 3.32Å; A122-C124 PolarHBondContact O-N 3.26Å | ||
| 125 | S | 80.1 | Confident | 77.3 | Confident | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 48% | 0.475 | S | S | . | . | trans | -66.9 | 140.2 | 168.8 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | Y94 T127 | Y94-S125 WeakPolarHBondContact CE1-O 3.36Å; Y94-S125 PolarHBondContact OH-N 2.98Å; Y94-S125 PolarHBondContact OH-O 3.38Å; S125-T127 PolarHBondContact O-N 2.71Å | ||
| 126 | A | 80.9 | Confident | 75.9 | Confident | 69 Ų | 69 | 89.3 Ų | 89.3 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -61.1 | -33.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L115 | L115-A126 WeakPolarHBondContact CB-O 3.42Å; L115-A126 PolarHBondContact N-O 2.96Å |
| 127 | T | 83.4 | Confident | 74.4 | Confident | 81 Ų | 81 | 87.8 Ų | 87.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.6 | -176.9 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | T112 G113 S125 | T112-T127 HydrophobicContact CG2-CG2 3.15Å; G113-T127 CarbonylContact O-C 3.52Å; G113-T127 WeakPolarHBondContact O-CA 3.35Å; S125-T127 PolarHBondContact O-N 2.71Å |
| 128 | V | 83.9 | Confident | 72.8 | Confident | 22 Ų | 22 | 85 Ų | 85 | 13% | 0.133 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.8 | 178.5 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | F88 Y94 F96 G113 | F88-V128 HydrophobicContact CD1-CB 4.12Å; F88-V128 HydrophobicContact CD1-CG2 3.66Å; F88-V128 HydrophobicContact CE1-CB 3.69Å; F88-V128 HydrophobicContact CE1-CG1 4.48Å; F88-V128 HydrophobicContact CE1-CG2 3.42Å; F88-V128 VanDerWaalsContact CE1-CG2 3.42Å; Y94-V128 HydrophobicContact CD1-CB 4.44Å; Y94-V128 HydrophobicContact CD1-CG1 4.18Å; Y94-V128 HydrophobicContact CD1-CG2 3.47Å; Y94-V128 VanDerWaalsContact CD1-CG2 3.47Å; Y94-V128 HydrophobicContact CD2-CG2 4.05Å; Y94-V128 HydrophobicContact CE1-CB 4.26Å; Y94-V128 HydrophobicContact CE1-CG1 3.55Å; Y94-V128 HydrophobicContact CE1-CG2 3.76Å; Y94-V128 HydrophobicContact CE2-CG1 4.07Å; Y94-V128 HydrophobicContact CE2-CG2 4.27Å; Y94-V128 HydrophobicContact CG-CG2 3.65Å; Y94-V128 VanDerWaalsContact CZ-CG1 3.49Å; F96-V128 HydrophobicContact CE1-CG2 4.1Å; F96-V128 HydrophobicContact CZ-CG2 4.2Å; G113-V128 PolarHBondContact N-O 2.98Å; G113-V128 PolarHBondContact O-N 3.2Å |
| 129 | T | 82.8 | Confident | 71.3 | Confident | 85 Ų | 85 | 91.5 Ų | 91.5 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128 | -178.6 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | N110 R111 | N110-T129 HydrophobicContact CB-CG2 4.03Å; R111-T129 WeakPolarHBondContact O-CA 3.39Å |
| 130 | A | 81.1 | Confident | 69.8 | Low | 4 Ų | 4 | 92.6 Ų | 92.6 | 3% | 0.033 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | F88 F96 W99 N110 R111 | F88-A130 HydrophobicContact CE2-CB 4.45Å; F88-A130 HydrophobicContact CZ-CB 3.91Å; F96-A130 HydrophobicContact CD1-CB 4.38Å; F96-A130 HydrophobicContact CE1-CB 3.89Å; W99-A130 HydrophobicContact CH2-CB 4.4Å; W99-A130 WeakPolarHBondContact CZ3-O 3.35Å; N110-A130 CarbonylContact C-O 3.59Å; N110-A130 WeakPolarHBondContact CA-O 3.45Å; R111-A130 HydrophobicContact CG-CB 3.88Å; R111-A130 PolarHBondContact N-O 3.48Å; R111-A130 PolarHBondContact O-N 3.43Å |
| 131 | T | 80.6 | Confident | 68.5 | Low | 83 Ų | 83 | 93.1 Ų | 93.1 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.1 | 179.3 | -48.4 | 0 | 0 | 0 | 0 | 110.2 | K108 K109 | K108-T131 HydrophobicContact CB-CG2 3.7Å; K108-T131 HydrophobicContact CD-CG2 3.85Å; K108-T131 HydrophobicContact CG-CG2 4.11Å; K109-T131 WeakPolarHBondContact O-CA 3.38Å |
| 132 | K | 77.4 | Confident | 67.5 | Low | 105 Ų | 105 | 92.9 Ų | 92.9 | 46% | 0.457 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.6 | 174 | -176.8 | -179.8 | 179.2 | -179.5 | 0 | 109.9 | W99 K108 K109 C134 | W99-K132 HydrophobicContact CE3-CB 4.15Å; W99-K132 HydrophobicContact CH2-CB 3.3Å; W99-K132 HydrophobicContact CH2-CD 4.13Å; W99-K132 HydrophobicContact CH2-CG 4.31Å; W99-K132 HydrophobicContact CZ2-CB 3.91Å; W99-K132 HydrophobicContact CZ2-CD 3.82Å; W99-K132 HydrophobicContact CZ2-CG 4.49Å; W99-K132 HydrophobicContact CZ3-CB 3.42Å; W99-K132 VanDerWaalsContact CZ3-CB 3.42Å; K108-K132 WeakPolarHBondContact CA-O 3.43Å; K109-K132 HydrophobicContact CG-CB 4.29Å; K109-K132 WeakPolarHBondContact CG-O 3.28Å; K109-K132 PolarHBondContact N-O 2.95Å; K109-K132 PolarHBondContact O-N 3.28Å; K132-C134 PolarHBondContact O-N 3.36Å |
| 133 | P | 76.9 | Confident | 66.1 | Low | 98 Ų | 98 | 99.6 Ų | 99.6 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60.8 | 133.3 | 171.3 | 25 | -33.6 | 0 | 0 | 0 | 110 | G135 | P133-G135 PolarHBondContact O-N 2.93Å |
| 134 | C | 73.8 | Confident | 64.5 | Low | 19 Ų | 19 | 100.6 Ų | 100.6 | 13% | 0.128 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -73.6 | 123.2 | 171.4 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | C102 G107 K109 K132 | C102-C134 VanDerWaalsContact CA-SG 3.53Å; C102-C134 HydrophobicContact CB-CB 3.92Å; C102-C134 WeakPolarHBondContact CB-SG 3.33Å; C102-C134 WeakPolarHBondContact SG-CB 3.42Å; C102-C134 CovalentContact SG-SG 2.01Å; C102-C134 PolarHBondContact SG-SG 2.89Å; G107-C134 PolarHBondContact O-N 3.43Å; K109-C134 PolarHBondContact N-SG 2.96Å; K132-C134 PolarHBondContact O-N 3.36Å |
| 135 | G | 67.1 | Low | 63.4 | Low | 68 Ų | 68 | 103.2 Ų | 103.2 | 70% | 0.701 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -69.2 | 142.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P133 | P133-G135 PolarHBondContact O-N 2.93Š|
| 136 | K | 54 | Low | 61.3 | Low | 204 Ų | 204 | 108.8 Ų | 108.8 | 89% | 0.887 | 60% | 0.602 | S | S | * | * | trans | 83.8 | 43.5 | 179.1 | -42.4 | 178.1 | -164.2 | -174.1 | 0 | 116.2 | S138 | K136-S138 PolarHBondContact O-N 3.41Š| ||
| 137 | I | 53.6 | Low | 59.3 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | trans | -82.4 | 109 | 140.6 | -58.3 | 156.4 | 0 | 0 | 0 | 103.5 | K139 | I137-K139 PolarHBondContact O-N 2.94Š| ||
| 138 | S | 48.3 | Very low | 57.3 | Low | 108 Ų | 108 | 119.7 Ų | 119.7 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | trans | -59.7 | 78.1 | 167.5 | -53.4 | 0 | 0 | 0 | 0 | 107.3 | K136 P140 | K136-S138 PolarHBondContact O-N 3.41Å; S138-P140 WeakPolarHBondContact O-CD 3.23Å | ||
| 139 | K | 46.4 | Very low | 55.2 | Low | 175 Ų | 175 | 127.1 Ų | 127.1 | 76% | 0.761 | 66% | 0.663 | S | S | * | * | trans | -56.1 | 115.6 | 158.2 | -77.4 | -175.4 | 176.8 | -177.3 | 0 | 103.1 | I137 K141 | I137-K139 PolarHBondContact O-N 2.94Å; K139-K141 PolarHBondContact O-N 3.45Å; K139-K141 VanDerWaalsContact O-N 3.12Å | ||
| 140 | P | 41.9 | Very low | 53.1 | Low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | trans | -49.7 | 131.2 | 170.2 | 20.8 | -29.8 | 0 | 0 | 0 | 105.3 | S138 L142 | S138-P140 WeakPolarHBondContact O-CD 3.23Å; P140-L142 PolarHBondContact O-N 2.95Å | ||
| 141 | K | 39.3 | Very low | 51.4 | Low | 193 Ų | 193 | 141 Ų | 141 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | trans | -48.8 | 101.5 | 171.2 | -80.6 | 176 | 174.8 | 171.9 | 0 | 104.9 | K139 Q143 | K139-K141 PolarHBondContact O-N 3.45Å; K139-K141 VanDerWaalsContact O-N 3.12Å; K141-Q143 WeakPolarHBondContact O-CG 3.38Å; K141-Q143 PolarHBondContact O-N 3.42Å | ||
| 142 | L | 45.7 | Very low | 49.3 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | trans | -62.2 | 102.4 | 168.8 | -172.1 | 77.1 | 0 | 0 | 0 | 102.3 | P140 D144 | P140-L142 PolarHBondContact O-N 2.95Å; L142-D144 PolarHBondContact O-N 2.96Å | ||
| 143 | Q | 40.2 | Very low | 47.7 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | trans | -55 | 128.5 | -178.1 | -61.1 | 174 | 14.3 | 0 | 0 | 105.6 | K141 A145 | K141-Q143 WeakPolarHBondContact O-CG 3.38Å; K141-Q143 PolarHBondContact O-N 3.42Å; Q143-A145 PolarHBondContact O-N 2.93Å | ||
| 144 | D | 42.2 | Very low | 45.8 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -48.7 | 85.6 | 163.7 | -87.3 | -98.9 | 0 | 0 | 0 | 109.5 | L142 | L142-D144 PolarHBondContact O-N 2.96Š|
| 145 | A | 51.4 | Low | 44.2 | Very low | 80 Ų | 80 | 159.9 Ų | 159.9 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -158.2 | 60.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q143 | Q143-A145 PolarHBondContact O-N 2.93Š| ||
| 146 | K | 35.8 | Very low | 42.8 | Very low | 192 Ų | 192 | 164.8 Ų | 164.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | -170.8 | 106.7 | 129.5 | -115.1 | 172.1 | 176 | -177.6 | 0 | 110.1 | Q148 | K146-Q148 PolarHBondContact O-N 3.45Š| |||
| 147 | K | 40.7 | Very low | 42.1 | Very low | 209 Ų | 209 | 166.6 Ų | 166.6 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -51.7 | 84.9 | 151.3 | -174 | -179.1 | -175.1 | -171.5 | 0 | 108.1 | K149 | K147-K149 PolarHBondContact O-N 3.07Š| ||
| 148 | Q | 40.6 | Very low | 41.6 | Very low | 170 Ų | 170 | 167.5 Ų | 167.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -78.8 | 106.3 | 158.5 | -82.8 | -167.5 | 27.3 | 0 | 0 | 106.6 | K146 K150 | K146-Q148 PolarHBondContact O-N 3.45Å; Q148-K150 VanDerWaalsContact C-N 3.29Å; Q148-K150 PolarHBondContact O-N 3.35Å | ||
| 149 | K | 39.9 | Very low | 41.5 | Very low | 178 Ų | 178 | 168 Ų | 168 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | trans | -48.6 | 93.3 | 163.5 | -179.4 | -177 | 176.7 | -165 | 0 | 107.7 | K147 E151 | K147-K149 PolarHBondContact O-N 3.07Å; K149-E151 PolarHBondContact O-N 3Å | ||
| 150 | K | 38.8 | Very low | 41.3 | Very low | 208 Ų | 208 | 168.5 Ų | 168.5 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -69.4 | 103.4 | 166.3 | -147 | 179.1 | -172.5 | -177.1 | 0 | 105.1 | Q148 G152 | Q148-K150 VanDerWaalsContact C-N 3.29Å; Q148-K150 PolarHBondContact O-N 3.35Å; K150-G152 VanDerWaalsContact C-N 3.34Å; K150-G152 PolarHBondContact O-N 3.15Å | ||
| 151 | E | 45 | Very low | 41.1 | Very low | 173 Ų | 173 | 174.5 Ų | 174.5 | 81% | 0.808 | 85% | 0.845 | S | S | * | * | trans | -62.3 | 94.6 | -179.4 | -159.9 | 176.8 | 100 | 0 | 0 | 108.6 | K149 K153 | K149-E151 PolarHBondContact O-N 3Å; E151-K153 PolarHBondContact O-N 2.66Å | ||
| 152 | G | 37.5 | Very low | 41.2 | Very low | 73 Ų | 73 | 173.6 Ų | 173.6 | 75% | 0.753 | 85% | 0.845 | S | S | * | * | trans | -81.6 | 90.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | K150 K154 | K150-G152 VanDerWaalsContact C-N 3.34Å; K150-G152 PolarHBondContact O-N 3.15Å; G152-K154 PolarHBondContact O-N 3.05Å | ||
| 153 | K | 43.5 | Very low | 41 | Very low | 193 Ų | 193 | 174.5 Ų | 174.5 | 84% | 0.839 | 85% | 0.847 | S | S | * | * | trans | 1.9 | 100 | 152.5 | -164.3 | 168.5 | -176.1 | 173.7 | 0 | 114.6 | E151 R155 | E151-K153 PolarHBondContact O-N 2.66Å; K153-R155 PolarHBondContact O-N 3.28Å | ||
| 154 | K | 35.9 | Very low | 41 | Very low | 197 Ų | 197 | 175.2 Ų | 175.2 | 86% | 0.857 | 85% | 0.852 | S | S | * | * | trans | -51.9 | 107.7 | 165.2 | -175.1 | -179.4 | -178.5 | -171.4 | 0 | 108.1 | G152 E156 | G152-K154 PolarHBondContact O-N 3.05Å; K154-E156 PolarHBondContact O-N 3.4Å | ||
| 155 | R | 41.1 | Very low | 41 | Very low | 239 Ų | 239 | 175.4 Ų | 175.4 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -70.7 | 106.4 | 163.2 | -83.1 | -174.3 | 175.6 | -173.4 | -1.3 | 106.5 | K153 R157 | K153-R155 PolarHBondContact O-N 3.28Å; R155-R157 PolarHBondContact O-N 3.14Å | ||
| 156 | E | 36 | Very low | 40.3 | Very low | 171 Ų | 171 | 181.4 Ų | 181.4 | 80% | 0.799 | 86% | 0.859 | S | S | * | * | trans | -54.4 | 118.3 | 167.3 | -164.6 | 168.2 | 92.1 | 0 | 0 | 108.2 | K154 T158 | K154-E156 PolarHBondContact O-N 3.4Å; E156-T158 PolarHBondContact O-N 3.47Å | ||
| 157 | R | 40 | Very low | 40.6 | Very low | 241 Ų | 241 | 180.7 Ų | 180.7 | 91% | 0.909 | 86% | 0.861 | S | S | * | * | trans | -80.6 | 109.7 | 165.2 | -81.8 | -175.8 | -175.6 | 176.3 | 0.4 | 106 | R155 | R155-R157 PolarHBondContact O-N 3.14Š| ||
| 158 | T | 43.3 | Very low | 40.6 | Very low | 115 Ų | 115 | 178.6 Ų | 178.6 | 71% | 0.706 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.5 | 161.9 | -31 | 0 | 0 | 0 | 0 | 107.8 | E156 | E156-T158 PolarHBondContact O-N 3.47Š|
| 159 | P | 45.9 | Very low | 40.6 | Very low | 117 Ų | 117 | 179.3 Ų | 179.3 | 76% | 0.76 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 127.7 | 165.8 | 28.8 | -29.1 | 0 | 0 | 0 | 108.1 | ||
| 160 | M | 42.6 | Very low | 40.7 | Very low | 187 Ų | 187 | 179.4 Ų | 179.4 | 92% | 0.921 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 130 | 161.9 | -73.1 | 171.7 | 80.8 | 0 | 0 | 106.9 | ||
| 161 | D | 38.7 | Very low | 40.9 | Very low | 239 Ų | 239 | 176.8 Ų | 176.8 | 100% | 1.278 | 87% | 0.867 | S | S | * | * | trans | -54.5 | 0 | 173.6 | -158.1 | -110.4 | 0 | 0 | 0 | 112.1 |
Retrieved 161 of 161 residues in 23.9 ms
(Link to these results)