| 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 | 66.1 | Low | 81.7 | Confident | 195 Ų | 195 | 117.7 Ų | 117.7 | 96% | 0.961 | 62% | 0.616 | S | S | * | * | 0 | -36.1 | 0 | -50.7 | -46.1 | -106.9 | 0 | 0 | 114.6 | L3 | M1-L3 PolarHBondContact O-N 3.36Š| |||
| 2 | K | 80 | Confident | 81.2 | Confident | 175 Ų | 175 | 117.3 Ų | 117.3 | 76% | 0.761 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64 | -35.9 | -178 | -134.5 | 95 | 163 | -175.8 | 0 | 114.5 | L5 L6 | K2-L5 PolarHBondContact O-N 3.14Å; K2-L6 PolarHBondContact O-N 3.4Å |
| 3 | L | 83.3 | Confident | 80.4 | Confident | 130 Ų | 130 | 116.9 Ų | 116.9 | 68% | 0.681 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.6 | -39.5 | -177.6 | -150.3 | 82.1 | 0 | 0 | 0 | 112.7 | M1 L5 L6 L7 | M1-L3 PolarHBondContact O-N 3.36Å; L3-L5 VanDerWaalsContact C-N 3.33Å; L3-L5 PolarHBondContact O-N 3.2Å; L3-L6 PolarHBondContact O-N 3.42Å; L3-L7 PolarHBondContact O-N 3.35Å |
| 4 | L | 84 | Confident | 79.2 | Confident | 111 Ų | 111 | 116.8 Ų | 116.8 | 58% | 0.581 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.6 | -40.2 | 178 | -70.8 | 166.8 | 0 | 0 | 0 | 111.6 | L7 L8 | L4-L7 PolarHBondContact O-N 3.07Å; L4-L8 WeakPolarHBondContact O-CD1 3.25Å; L4-L8 WeakPolarHBondContact O-CG 3.18Å; L4-L8 PolarHBondContact O-N 3.39Å |
| 5 | L | 84.1 | Confident | 78.1 | Confident | 112 Ų | 112 | 113.9 Ų | 113.9 | 59% | 0.586 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.1 | -40.6 | 176.7 | -68 | 167.3 | 0 | 0 | 0 | 111.6 | K2 L3 L8 T9 | K2-L5 PolarHBondContact O-N 3.14Å; L3-L5 VanDerWaalsContact C-N 3.33Å; L3-L5 PolarHBondContact O-N 3.2Å; L5-L8 PolarHBondContact O-N 2.68Å; L5-T9 WeakPolarHBondContact O-CG2 3.46Å; L5-T9 PolarHBondContact O-N 3.34Å; L5-T9 VanDerWaalsContact O-N 3.1Å; L5-T9 PolarHBondContact O-OG1 3.42Å |
| 6 | L | 85.4 | Confident | 77 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 56% | 0.555 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -40.9 | 176.1 | -73.7 | 163.4 | 0 | 0 | 0 | 112.4 | K2 L3 T9 V10 | K2-L6 PolarHBondContact O-N 3.4Å; L3-L6 PolarHBondContact O-N 3.42Å; L6-T9 PolarHBondContact O-OG1 2.96Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.39Å; L6-V10 PolarHBondContact O-N 3.04Å |
| 7 | L | 86.6 | Confident | 75.8 | Confident | 109 Ų | 109 | 114.4 Ų | 114.4 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63 | -41.7 | 175.8 | -93.8 | 140.5 | 0 | 0 | 0 | 112.1 | L3 L4 T11 | L3-L7 PolarHBondContact O-N 3.35Å; L4-L7 PolarHBondContact O-N 3.07Å; L7-T11 PolarHBondContact O-N 3.37Å; L7-T11 PolarHBondContact O-OG1 3.2Å |
| 8 | L | 82.6 | Confident | 74.7 | Confident | 111 Ų | 111 | 113.6 Ų | 113.6 | 58% | 0.581 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.6 | -43.3 | 178.6 | -81.8 | 160.5 | 0 | 0 | 0 | 112.5 | L4 L5 T11 L12 | L4-L8 WeakPolarHBondContact O-CD1 3.25Å; L4-L8 WeakPolarHBondContact O-CG 3.18Å; L4-L8 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 2.68Å; L8-T11 WeakPolarHBondContact CA-OG1 3.42Å; L8-T11 PolarHBondContact O-OG1 2.96Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 3.03Å |
| 9 | T | 84.3 | Confident | 73.9 | Confident | 74 Ų | 74 | 112.8 Ų | 112.8 | 45% | 0.454 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.1 | -41.5 | 179.1 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | L5 L6 L12 L13 | L5-T9 WeakPolarHBondContact O-CG2 3.46Å; L5-T9 PolarHBondContact O-N 3.34Å; L5-T9 VanDerWaalsContact O-N 3.1Å; L5-T9 PolarHBondContact O-OG1 3.42Å; L6-T9 PolarHBondContact O-OG1 2.96Å; T9-L12 PolarHBondContact O-N 3.1Å; T9-L13 VanDerWaalsContact O-CD1 3.25Å; T9-L13 WeakPolarHBondContact O-CD1 3.48Å; T9-L13 PolarHBondContact O-N 3.28Å |
| 10 | V | 84.3 | Confident | 73.6 | Confident | 87 Ų | 87 | 110.6 Ų | 110.6 | 53% | 0.527 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.7 | -45.3 | 177.5 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | L6 L13 L14 | L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.39Å; L6-V10 PolarHBondContact O-N 3.04Å; V10-L13 PolarHBondContact O-N 3.23Å; V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 WeakPolarHBondContact O-CD1 3.49Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.44Å; V10-L14 VanDerWaalsContact O-N 3.14Å |
| 11 | T | 78.3 | Confident | 74.1 | Confident | 85 Ų | 85 | 108.2 Ų | 108.2 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.1 | -40 | 177.1 | 28.3 | 0 | 0 | 0 | 0 | 112.3 | L7 L8 L14 A15 | L7-T11 PolarHBondContact O-N 3.37Å; L7-T11 PolarHBondContact O-OG1 3.2Å; L8-T11 WeakPolarHBondContact CA-OG1 3.42Å; L8-T11 PolarHBondContact O-OG1 2.96Å; T11-L14 PolarHBondContact O-N 3.49Å; T11-A15 PolarHBondContact O-N 2.89Å; T11-A15 VanDerWaalsContact O-N 3.14Å |
| 12 | L | 75.7 | Confident | 75.3 | Confident | 112 Ų | 112 | 105.9 Ų | 105.9 | 59% | 0.586 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.9 | -40.4 | 178.3 | -162.6 | 70.8 | 0 | 0 | 0 | 111.5 | L8 T9 A15 Q16 | L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 3.03Å; T9-L12 PolarHBondContact O-N 3.1Å; L12-A15 PolarHBondContact O-N 3.08Å; L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-NE2 2.77Å |
| 13 | L | 70.6 | Confident | 75.9 | Confident | 113 Ų | 113 | 98.4 Ų | 98.4 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.1 | -45.3 | 174.6 | -103 | 81.1 | 0 | 0 | 0 | 111.7 | T9 V10 A15 Q16 V17 | T9-L13 VanDerWaalsContact O-CD1 3.25Å; T9-L13 WeakPolarHBondContact O-CD1 3.48Å; T9-L13 PolarHBondContact O-N 3.28Å; V10-L13 PolarHBondContact O-N 3.23Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.47Å; L13-Q16 PolarHBondContact O-N 3.37Å; L13-V17 WeakPolarHBondContact O-CG2 2.97Å |
| 14 | L | 64 | Low | 76.3 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -34.5 | -179.8 | -74.1 | 161.1 | 0 | 0 | 0 | 112.8 | V10 T11 Q16 V17 | V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 WeakPolarHBondContact O-CD1 3.49Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.44Å; V10-L14 VanDerWaalsContact O-N 3.14Å; T11-L14 PolarHBondContact O-N 3.49Å; L14-Q16 VanDerWaalsContact C-N 3.25Å; L14-Q16 PolarHBondContact O-N 2.91Å; L14-V17 PolarHBondContact O-N 2.92Å |
| 15 | A | 61.8 | Low | 76.5 | Confident | 73 Ų | 73 | 94.6 Ų | 94.6 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -26.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T11 L12 L13 | T11-A15 PolarHBondContact O-N 2.89Å; T11-A15 VanDerWaalsContact O-N 3.14Å; L12-A15 PolarHBondContact O-N 3.08Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.47Å |
| 16 | Q | 60.2 | Low | 76.7 | Confident | 129 Ų | 129 | 97.3 Ų | 97.3 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -81 | -21.1 | -177.7 | -28.8 | -170.3 | -3.2 | 0 | 0 | 112.6 | L12 L13 L14 T18 P19 | L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-NE2 2.77Å; L13-Q16 PolarHBondContact O-N 3.37Å; L14-Q16 VanDerWaalsContact C-N 3.25Å; L14-Q16 PolarHBondContact O-N 2.91Å; Q16-T18 PolarHBondContact O-N 3.43Å; Q16-P19 WeakPolarHBondContact O-CD 3.3Å |
| 17 | V | 57.3 | Low | 77 | Confident | 107 Ų | 107 | 94.8 Ų | 94.8 | 65% | 0.648 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -75 | -12.7 | -169.8 | -159 | 0 | 0 | 0 | 0 | 113 | L13 L14 | L13-V17 WeakPolarHBondContact O-CG2 2.97Å; L14-V17 PolarHBondContact O-N 2.92Å |
| 18 | T | 55.4 | Low | 77.3 | Confident | 101 Ų | 101 | 89.8 Ų | 89.8 | 62% | 0.62 | 51% | 0.513 | S | S | * | . | trans | -137 | 81.6 | 174 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | Q16 V20 | Q16-T18 PolarHBondContact O-N 3.43Å; T18-V20 PolarHBondContact O-N 3.26Å | ||
| 19 | P | 60.4 | Low | 77.8 | Confident | 99 Ų | 99 | 90.5 Ų | 90.5 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | trans | -56.5 | 108.6 | 157.4 | 25.1 | -31.3 | 0 | 0 | 0 | 106.8 | Q16 T21 | Q16-P19 WeakPolarHBondContact O-CD 3.3Å; P19-T21 PolarHBondContact O-N 3.42Å | ||
| 20 | V | 67.3 | Low | 78.3 | Confident | 67 Ų | 67 | 87.9 Ų | 87.9 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | trans | -72.6 | 83.8 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 106.6 | T18 K22 R29 | T18-V20 PolarHBondContact O-N 3.26Å; V20-K22 PolarHBondContact O-N 3.36Å; V20-R29 HydrophobicContact CG1-CB 3.9Å; V20-R29 HydrophobicContact CG1-CG 3.58Å | ||
| 21 | T | 84.6 | Confident | 78.6 | Confident | 61 Ų | 61 | 86.9 Ų | 86.9 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | trans | -65.4 | 121.4 | 174.7 | 47.5 | 0 | 0 | 0 | 0 | 107.7 | P19 C30 | P19-T21 PolarHBondContact O-N 3.42Å; T21-C30 PolarHBondContact O-N 2.84Å; T21-C30 PolarHBondContact O-SG 3.43Å; T21-C30 WeakPolarHBondContact OG1-CB 3.46Å; T21-C30 PolarHBondContact OG1-SG 2.02Å | ||
| 22 | K | 90.8 | Very high | 79.3 | Confident | 146 Ų | 146 | 88.4 Ų | 88.4 | 64% | 0.635 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.6 | 176.9 | -68.7 | -177 | -176.8 | 171.7 | 0 | 108.8 | V20 K26 G28 | V20-K22 PolarHBondContact O-N 3.36Å; K22-K26 HydrophobicContact CD-CB 4.04Å; K22-K26 HydrophobicContact CD-CG 4.17Å; K22-G28 WeakPolarHBondContact CA-O 3.43Å |
| 23 | C | 92.2 | Very high | 80 | Confident | 19 Ų | 19 | 88 Ų | 88 | 13% | 0.128 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | -179.2 | 173.9 | 61.2 | 0 | 0 | 0 | 0 | 108.9 | G25 K26 S27 G28 R29 C50 | C23-G25 PolarHBondContact O-N 2.75Å; C23-K26 PolarHBondContact O-N 3.4Å; C23-K26 VanDerWaalsContact O-N 3.09Å; C23-S27 PolarHBondContact O-N 2.96Å; C23-G28 PolarHBondContact N-O 3.14Å; C23-G28 WeakPolarHBondContact O-CA 3.44Å; C23-G28 PolarHBondContact O-N 3.15Å; C23-R29 PolarHBondContact SG-N 3.34Å; C23-R29 VanDerWaalsContact SG-N 3.42Å; C23-C50 HydrophobicContact CB-CB 3.87Å; C23-C50 WeakPolarHBondContact CB-SG 3.24Å; C23-C50 WeakPolarHBondContact SG-CA 3.49Å; C23-C50 WeakPolarHBondContact SG-CB 3.32Å; C23-C50 CovalentContact SG-SG 2.02Å; C23-C50 PolarHBondContact SG-SG 3.43Å |
| 24 | W | 91.8 | Very high | 81.1 | Confident | 84 Ų | 84 | 84 Ų | 84 | 32% | 0.318 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | 51 | 53.5 | 176.3 | -163 | -113.3 | 0 | 0 | 0 | 113.4 | K26 S27 Y41 V52 Y56 | W24-K26 PolarHBondContact O-N 2.04Å; W24-K26 VanDerWaalsContact O-N 3.15Å; W24-S27 WeakPolarHBondContact O-CB 3.49Å; W24-S27 PolarHBondContact O-N 3.3Å; W24-Y41 HydrophobicContact CD2-CD1 4.17Å; W24-Y41 HydrophobicContact CD2-CD2 4.37Å; W24-Y41 HydrophobicContact CD2-CE1 4.31Å; W24-Y41 HydrophobicContact CD2-CE2 4.45Å; W24-Y41 HydrophobicContact CD2-CG 4.24Å; W24-Y41 AromaticContact CE3-CD1 3.42Å; W24-Y41 HydrophobicContact CE3-CD1 3.42Å; W24-Y41 VanDerWaalsContact CE3-CD1 3.42Å; W24-Y41 HydrophobicContact CE3-CD2 4.28Å; W24-Y41 AromaticContact CE3-CE1 3.34Å; W24-Y41 HydrophobicContact CE3-CE1 3.34Å; W24-Y41 HydrophobicContact CE3-CE2 4.17Å; W24-Y41 AromaticContact CE3-CG 3.95Å; W24-Y41 HydrophobicContact CE3-CG 3.95Å; W24-Y41 AromaticContact CE3-CZ 3.74Å; W24-Y41 HydrophobicContact CH2-CD1 4.28Å; W24-Y41 HydrophobicContact CH2-CD2 4.22Å; W24-Y41 AromaticContact CH2-CE1 3.52Å; W24-Y41 HydrophobicContact CH2-CE1 3.52Å; W24-Y41 AromaticContact CH2-CE2 3.39Å; W24-Y41 HydrophobicContact CH2-CE2 3.39Å; W24-Y41 AromaticContact CH2-CZ 2.99Å; W24-Y41 WeakPolarHBondContact CH2-OH 3.01Å; W24-Y41 HydrophobicContact CZ2-CD2 4.21Å; W24-Y41 HydrophobicContact CZ2-CE1 4.39Å; W24-Y41 AromaticContact CZ2-CE2 3.63Å; W24-Y41 HydrophobicContact CZ2-CE2 3.63Å; W24-Y41 AromaticContact CZ2-CZ 3.76Å; W24-Y41 AromaticContact CZ3-CD1 3.55Å; W24-Y41 HydrophobicContact CZ3-CD1 3.55Å; W24-Y41 HydrophobicContact CZ3-CD2 4.26Å; W24-Y41 AromaticContact CZ3-CE1 2.9Å; W24-Y41 HydrophobicContact CZ3-CE1 2.9Å; W24-Y41 AromaticContact CZ3-CE2 3.69Å; W24-Y41 HydrophobicContact CZ3-CE2 3.69Å; W24-Y41 HydrophobicContact CZ3-CG 4.21Å; W24-Y41 AromaticContact CZ3-CZ 2.99Å; W24-Y41 VanDerWaalsContact CZ3-OH 3.24Å; W24-Y41 WeakPolarHBondContact CZ3-OH 3.01Å; W24-V52 HydrophobicContact CB-CG2 3.72Å; W24-V52 VanDerWaalsContact CD1-CG1 3.42Å; W24-V52 HydrophobicContact CG-CG1 4.14Å; W24-V52 HydrophobicContact CG-CG2 3.76Å; W24-Y56 PolarHBondContact NE1-O 2.78Å |
| 25 | G | 88.9 | Confident | 82.5 | Confident | 76 Ų | 76 | 84.5 Ų | 84.5 | 78% | 0.784 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | 60.8 | 28.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C23 S27 | C23-G25 PolarHBondContact O-N 2.75Å; G25-S27 VanDerWaalsContact C-N 3.31Å |
| 26 | K | 88.8 | Confident | 84 | Confident | 169 Ų | 169 | 91.6 Ų | 91.6 | 74% | 0.735 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | 80.1 | -3.1 | -173.5 | -51.4 | 171.5 | -177.5 | 173.3 | 0 | 115.5 | K22 C23 W24 | K22-K26 HydrophobicContact CD-CB 4.04Å; K22-K26 HydrophobicContact CD-CG 4.17Å; C23-K26 PolarHBondContact O-N 3.4Å; C23-K26 VanDerWaalsContact O-N 3.09Å; W24-K26 PolarHBondContact O-N 2.04Å; W24-K26 VanDerWaalsContact O-N 3.15Å |
| 27 | S | 91.1 | Very high | 85.5 | Confident | 54 Ų | 54 | 96.1 Ų | 96.1 | 38% | 0.378 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8.6 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 113.4 | C23 W24 G25 | C23-S27 PolarHBondContact O-N 2.96Å; W24-S27 WeakPolarHBondContact O-CB 3.49Å; W24-S27 PolarHBondContact O-N 3.3Å; G25-S27 VanDerWaalsContact C-N 3.31Å |
| 28 | G | 93.5 | Very high | 87.3 | Confident | 3 Ų | 3 | 93 Ų | 93 | 3% | 0.031 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 167.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K22 C23 C51 | K22-G28 WeakPolarHBondContact CA-O 3.43Å; C23-G28 PolarHBondContact N-O 3.14Å; C23-G28 WeakPolarHBondContact O-CA 3.44Å; C23-G28 PolarHBondContact O-N 3.15Å; G28-C51 CarbonylContact C-O 3.59Å; G28-C51 VanDerWaalsContact CA-O 3.26Å; G28-C51 WeakPolarHBondContact CA-O 3.24Å |
| 29 | R | 93.6 | Very high | 89.1 | Confident | 127 Ų | 127 | 91 Ų | 91 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.9 | 174.5 | -64.3 | 174.9 | -170.1 | -149.9 | 11.4 | 110.4 | V20 C23 C51 | V20-R29 HydrophobicContact CG1-CB 3.9Å; V20-R29 HydrophobicContact CG1-CG 3.58Å; C23-R29 PolarHBondContact SG-N 3.34Å; C23-R29 VanDerWaalsContact SG-N 3.42Å; R29-C51 PolarHBondContact N-O 3.33Å; R29-C51 PolarHBondContact O-N 3.31Å |
| 30 | C | 93.1 | Very high | 90.7 | Very high | 18 Ų | 18 | 92 Ų | 92 | 12% | 0.122 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 130.4 | 172.9 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | T21 C44 A48 K49 | T21-C30 PolarHBondContact O-N 2.84Å; T21-C30 PolarHBondContact O-SG 3.43Å; T21-C30 WeakPolarHBondContact OG1-CB 3.46Å; T21-C30 PolarHBondContact OG1-SG 2.02Å; C30-C44 HydrophobicContact CB-CB 3.81Å; C30-C44 WeakPolarHBondContact CB-SG 3Å; C30-C44 WeakPolarHBondContact SG-CB 3.42Å; C30-C44 CovalentContact SG-SG 2.02Å; C30-C44 PolarHBondContact SG-SG 2.02Å; C30-A48 HydrophobicContact CB-CB 4.17Å; C30-K49 CarbonylContact C-O 3.59Å; C30-K49 WeakPolarHBondContact CA-O 3.28Å |
| 31 | R | 91.7 | Very high | 91.9 | Very high | 66 Ų | 66 | 93 Ų | 93 | 25% | 0.249 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154 | 178.8 | -57.4 | -179.1 | 177.5 | -73.5 | -3.4 | 110 | T33 E38 K49 | R31-T33 VanDerWaalsContact C-N 3.26Å; R31-T33 WeakPolarHBondContact CB-O 3.06Å; R31-T33 PolarHBondContact O-N 3.27Å; R31-E38 IonicContact NE-OE1 3.83Å; R31-E38 IonicContact NE-OE2 3.63Å; R31-K49 PolarHBondContact N-O 3.24Å; R31-K49 WeakPolarHBondContact O-CA 3.48Å; R31-K49 WeakPolarHBondContact O-CB 3.42Å; R31-K49 PolarHBondContact O-N 3Å |
| 32 | T | 91.8 | Very high | 92.3 | Very high | 118 Ų | 118 | 94.6 Ų | 94.6 | 72% | 0.724 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -61.5 | -40.6 | 170.7 | -41.8 | 0 | 0 | 0 | 0 | 111.2 | K49 | T32-K49 PolarHBondContact O-NZ 2.94Š|
| 33 | T | 92 | Very high | 92.4 | Very high | 102 Ų | 102 | 92.2 Ų | 92.2 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -135 | 134.2 | 179.5 | -50.2 | 0 | 0 | 0 | 0 | 109.9 | R31 | R31-T33 VanDerWaalsContact C-N 3.26Å; R31-T33 WeakPolarHBondContact CB-O 3.06Å; R31-T33 PolarHBondContact O-N 3.27Å |
| 34 | C | 93 | Very high | 92.5 | Very high | 30 Ų | 30 | 92.2 Ų | 92.2 | 20% | 0.203 | 45% | 0.452 | C | S | . | . | trans | -74.6 | 151.5 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | E38 C51 | C34-E38 HydrophobicContact CB-CB 4.13Å; C34-C51 WeakPolarHBondContact CA-SG 3.38Å; C34-C51 HydrophobicContact CB-CB 3.71Å; C34-C51 WeakPolarHBondContact CB-SG 2.98Å; C34-C51 WeakPolarHBondContact SG-CB 3.42Å; C34-C51 CovalentContact SG-SG 2.04Å; C34-C51 PolarHBondContact SG-SG 3.47Å | ||
| 35 | K | 94 | Very high | 92.3 | Very high | 125 Ų | 125 | 98.8 Ų | 98.8 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | trans | -68.9 | 158.2 | 171.6 | -64.1 | -179.4 | 176.5 | -173.5 | 0 | 110.1 | R37 E38 | K35-R37 PolarHBondContact O-N 2.91Å; K35-E38 HydrophobicContact CB-CB 4.48Å; K35-E38 HydrophobicContact CB-CG 4.1Å; K35-E38 WeakPolarHBondContact CB-OE2 3.47Å; K35-E38 PolarHBondContact N-OE2 2.99Å; K35-E38 PolarHBondContact O-N 2.8Å | ||
| 36 | K | 93 | Very high | 92.2 | Very high | 222 Ų | 222 | 99.7 Ų | 99.7 | 97% | 0.965 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -24.6 | 179.2 | -67.3 | -174.7 | 179.2 | -177.8 | 0 | 115 | ||
| 37 | R | 92.1 | Very high | 92.2 | Very high | 224 Ų | 224 | 99.6 Ų | 99.6 | 85% | 0.845 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 6.2 | -179.9 | -60 | -173.8 | -177.6 | -163.9 | 0.4 | 113.5 | K35 P54 | K35-R37 PolarHBondContact O-N 2.91Å; R37-P54 WeakPolarHBondContact O-CD 3.38Å |
| 38 | E | 94.6 | Very high | 92.3 | Very high | 41 Ų | 41 | 97.9 Ų | 97.9 | 19% | 0.192 | 46% | 0.464 | C | S | . | . | trans | -107.6 | 149.1 | 176.5 | -67.9 | 170.6 | 163 | 0 | 0 | 108.8 | R31 C34 K35 C51 V52 | R31-E38 IonicContact NE-OE1 3.83Å; R31-E38 IonicContact NE-OE2 3.63Å; C34-E38 HydrophobicContact CB-CB 4.13Å; K35-E38 HydrophobicContact CB-CB 4.48Å; K35-E38 HydrophobicContact CB-CG 4.1Å; K35-E38 WeakPolarHBondContact CB-OE2 3.47Å; K35-E38 PolarHBondContact N-OE2 2.99Å; K35-E38 PolarHBondContact O-N 2.8Å; E38-C51 HydrophobicContact CB-CB 3.97Å; E38-C51 HydrophobicContact CG-CB 4.38Å; E38-C51 VanDerWaalsContact OE2-CB 3.28Å; E38-C51 WeakPolarHBondContact OE2-CB 3.45Å; E38-V52 CarbonylContact C-O 3.56Å; E38-V52 WeakPolarHBondContact CA-O 3.06Å | ||
| 39 | V | 93.9 | Very high | 92.3 | Very high | 59 Ų | 59 | 101.9 Ų | 101.9 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 146.4 | 172.2 | -69.1 | 0 | 0 | 0 | 0 | 110.3 | C51 V52 P54 V57 | V39-C51 WeakPolarHBondContact O-CA 2.96Å; V39-V52 WeakPolarHBondContact CG2-O 3.33Å; V39-V52 PolarHBondContact N-O 2.9Å; V39-V52 PolarHBondContact O-N 2.94Å; V39-P54 HydrophobicContact CG1-CG 4.07Å; V39-V57 HydrophobicContact CG2-CG2 3.85Å |
| 40 | Y | 94 | Very high | 92.3 | Very high | 120 Ų | 120 | 95.8 Ų | 95.8 | 47% | 0.471 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125.7 | 168.6 | 167.8 | -107.2 | 0 | 0 | 0 | 109.2 | I42 L43 K49 | Y40-I42 VanDerWaalsContact CE2-O 3.24Å; Y40-I42 WeakPolarHBondContact CE2-O 3.44Å; Y40-L43 HydrophobicContact CE2-CD2 4.06Å; Y40-L43 HydrophobicContact CE2-CG 4.48Å; Y40-L43 WeakPolarHBondContact OH-CG 3.36Å; Y40-L43 PolarHBondContact OH-N 2.99Å; Y40-K49 HydrophobicContact CD2-CB 3.74Å; Y40-K49 HydrophobicContact CD2-CD 4.1Å; Y40-K49 HydrophobicContact CD2-CG 3.85Å; Y40-K49 HydrophobicContact CE2-CB 4.16Å; Y40-K49 HydrophobicContact CE2-CG 4.08Å |
| 41 | Y | 91.5 | Very high | 92.4 | Very high | 88 Ų | 88 | 95 Ų | 95 | 35% | 0.345 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -51.7 | 177.6 | -168.6 | -82.9 | 0 | 0 | 0 | 112.6 | W24 C50 V57 | W24-Y41 HydrophobicContact CD2-CD1 4.17Å; W24-Y41 HydrophobicContact CD2-CD2 4.37Å; W24-Y41 HydrophobicContact CD2-CE1 4.31Å; W24-Y41 HydrophobicContact CD2-CE2 4.45Å; W24-Y41 HydrophobicContact CD2-CG 4.24Å; W24-Y41 AromaticContact CE3-CD1 3.42Å; W24-Y41 HydrophobicContact CE3-CD1 3.42Å; W24-Y41 VanDerWaalsContact CE3-CD1 3.42Å; W24-Y41 HydrophobicContact CE3-CD2 4.28Å; W24-Y41 AromaticContact CE3-CE1 3.34Å; W24-Y41 HydrophobicContact CE3-CE1 3.34Å; W24-Y41 HydrophobicContact CE3-CE2 4.17Å; W24-Y41 AromaticContact CE3-CG 3.95Å; W24-Y41 HydrophobicContact CE3-CG 3.95Å; W24-Y41 AromaticContact CE3-CZ 3.74Å; W24-Y41 HydrophobicContact CH2-CD1 4.28Å; W24-Y41 HydrophobicContact CH2-CD2 4.22Å; W24-Y41 AromaticContact CH2-CE1 3.52Å; W24-Y41 HydrophobicContact CH2-CE1 3.52Å; W24-Y41 AromaticContact CH2-CE2 3.39Å; W24-Y41 HydrophobicContact CH2-CE2 3.39Å; W24-Y41 AromaticContact CH2-CZ 2.99Å; W24-Y41 WeakPolarHBondContact CH2-OH 3.01Å; W24-Y41 HydrophobicContact CZ2-CD2 4.21Å; W24-Y41 HydrophobicContact CZ2-CE1 4.39Å; W24-Y41 AromaticContact CZ2-CE2 3.63Å; W24-Y41 HydrophobicContact CZ2-CE2 3.63Å; W24-Y41 AromaticContact CZ2-CZ 3.76Å; W24-Y41 AromaticContact CZ3-CD1 3.55Å; W24-Y41 HydrophobicContact CZ3-CD1 3.55Å; W24-Y41 HydrophobicContact CZ3-CD2 4.26Å; W24-Y41 AromaticContact CZ3-CE1 2.9Å; W24-Y41 HydrophobicContact CZ3-CE1 2.9Å; W24-Y41 AromaticContact CZ3-CE2 3.69Å; W24-Y41 HydrophobicContact CZ3-CE2 3.69Å; W24-Y41 HydrophobicContact CZ3-CG 4.21Å; W24-Y41 AromaticContact CZ3-CZ 2.99Å; W24-Y41 VanDerWaalsContact CZ3-OH 3.24Å; W24-Y41 WeakPolarHBondContact CZ3-OH 3.01Å; Y41-C50 PolarHBondContact N-O 2.98Å; Y41-V57 HydrophobicContact CD2-CG1 4.3Å; Y41-V57 HydrophobicContact CD2-CG2 4.41Å; Y41-V57 HydrophobicContact CE2-CG1 4.3Å |
| 42 | I | 92.6 | Very high | 92.6 | Very high | 95 Ų | 95 | 91.9 Ų | 91.9 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 166.5 | -178.2 | -165 | 164.4 | 0 | 0 | 0 | 110.6 | Y40 C50 | Y40-I42 VanDerWaalsContact CE2-O 3.24Å; Y40-I42 WeakPolarHBondContact CE2-O 3.44Å; I42-C50 HydrophobicContact CG2-CB 3.81Å; I42-C50 WeakPolarHBondContact O-CA 3.15Å; I42-C50 WeakPolarHBondContact O-CB 3.02Å; I42-C50 PolarHBondContact O-N 2.85Å |
| 43 | L | 94.4 | Very high | 92.6 | Very high | 97 Ų | 97 | 88.8 Ų | 88.8 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 141.4 | 167 | -64.8 | 176.3 | 0 | 0 | 0 | 111.4 | Y40 A48 | Y40-L43 HydrophobicContact CE2-CD2 4.06Å; Y40-L43 HydrophobicContact CE2-CG 4.48Å; Y40-L43 WeakPolarHBondContact OH-CG 3.36Å; Y40-L43 PolarHBondContact OH-N 2.99Å; L43-A48 CarbonylContact C-O 3.54Å; L43-A48 WeakPolarHBondContact CA-O 3.2Å |
| 44 | C | 92.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 86.9 Ų | 86.9 | 12% | 0.122 | 41% | 0.409 | C | S | . | . | trans | -80.3 | 167.3 | 168.5 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | C30 T46 E47 A48 | C30-C44 HydrophobicContact CB-CB 3.81Å; C30-C44 WeakPolarHBondContact CB-SG 3Å; C30-C44 WeakPolarHBondContact SG-CB 3.42Å; C30-C44 CovalentContact SG-SG 2.02Å; C30-C44 PolarHBondContact SG-SG 2.02Å; C44-T46 PolarHBondContact O-N 3.42Å; C44-T46 VanDerWaalsContact O-N 3.08Å; C44-E47 WeakPolarHBondContact O-CA 3.04Å; C44-E47 PolarHBondContact O-N 3.48Å; C44-A48 PolarHBondContact N-O 2.9Å | ||
| 45 | K | 88.1 | Confident | 92.4 | Very high | 223 Ų | 223 | 91.9 Ų | 91.9 | 97% | 0.97 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25 | 175.1 | -68.1 | -173.9 | 177.5 | -175 | 0 | 113.7 | E47 | K45-E47 PolarHBondContact O-N 3.09Š|
| 46 | T | 87.4 | Confident | 92.1 | Very high | 95 Ų | 95 | 91.7 Ų | 91.7 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 13.5 | 177.3 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | C44 A48 | C44-T46 PolarHBondContact O-N 3.42Å; C44-T46 VanDerWaalsContact O-N 3.08Å; T46-A48 PolarHBondContact O-N 2.98Å; T46-A48 WeakPolarHBondContact OG1-CB 3.26Å |
| 47 | E | 88.8 | Confident | 91.8 | Very high | 167 Ų | 167 | 82.8 Ų | 82.8 | 78% | 0.78 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 61.3 | 5.3 | -175.5 | -53.6 | -178.1 | 133.1 | 0 | 0 | 115 | C44 K45 | C44-E47 WeakPolarHBondContact O-CA 3.04Å; C44-E47 PolarHBondContact O-N 3.48Å; K45-E47 PolarHBondContact O-N 3.09Å |
| 48 | A | 92.4 | Very high | 91.3 | Very high | 18 Ų | 18 | 76.6 Ų | 76.6 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | trans | -71.9 | 156 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | C30 L43 C44 T46 | C30-A48 HydrophobicContact CB-CB 4.17Å; L43-A48 CarbonylContact C-O 3.54Å; L43-A48 WeakPolarHBondContact CA-O 3.2Å; C44-A48 PolarHBondContact N-O 2.9Å; T46-A48 PolarHBondContact O-N 2.98Å; T46-A48 WeakPolarHBondContact OG1-CB 3.26Å | ||
| 49 | K | 93.9 | Very high | 90.4 | Very high | 86 Ų | 86 | 81.1 Ų | 81.1 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 127.2 | 174.7 | -63.8 | -171.2 | -173 | 83.6 | 0 | 110.4 | C30 R31 T32 Y40 C51 | C30-K49 CarbonylContact C-O 3.59Å; C30-K49 WeakPolarHBondContact CA-O 3.28Å; R31-K49 PolarHBondContact N-O 3.24Å; R31-K49 WeakPolarHBondContact O-CA 3.48Å; R31-K49 WeakPolarHBondContact O-CB 3.42Å; R31-K49 PolarHBondContact O-N 3Å; T32-K49 PolarHBondContact O-NZ 2.94Å; Y40-K49 HydrophobicContact CD2-CB 3.74Å; Y40-K49 HydrophobicContact CD2-CD 4.1Å; Y40-K49 HydrophobicContact CD2-CG 3.85Å; Y40-K49 HydrophobicContact CE2-CB 4.16Å; Y40-K49 HydrophobicContact CE2-CG 4.08Å; K49-C51 PolarHBondContact O-N 2.91Å; K49-C51 PolarHBondContact O-SG 2.98Å |
| 50 | C | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 88.7 Ų | 88.7 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 107.7 | 165.2 | 179 | 0 | 0 | 0 | 0 | 108.7 | C23 Y41 I42 | C23-C50 HydrophobicContact CB-CB 3.87Å; C23-C50 WeakPolarHBondContact CB-SG 3.24Å; C23-C50 WeakPolarHBondContact SG-CA 3.49Å; C23-C50 WeakPolarHBondContact SG-CB 3.32Å; C23-C50 CovalentContact SG-SG 2.02Å; C23-C50 PolarHBondContact SG-SG 3.43Å; Y41-C50 PolarHBondContact N-O 2.98Å; I42-C50 HydrophobicContact CG2-CB 3.81Å; I42-C50 WeakPolarHBondContact O-CA 3.15Å; I42-C50 WeakPolarHBondContact O-CB 3.02Å; I42-C50 PolarHBondContact O-N 2.85Å |
| 51 | C | 95.1 | Very high | 87 | Confident | 1 Ų | 1 | 87.9 Ų | 87.9 | 1% | 0.007 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125 | -178.4 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | G28 R29 C34 E38 V39 K49 | G28-C51 CarbonylContact C-O 3.59Å; G28-C51 VanDerWaalsContact CA-O 3.26Å; G28-C51 WeakPolarHBondContact CA-O 3.24Å; R29-C51 PolarHBondContact N-O 3.33Å; R29-C51 PolarHBondContact O-N 3.31Å; C34-C51 WeakPolarHBondContact CA-SG 3.38Å; C34-C51 HydrophobicContact CB-CB 3.71Å; C34-C51 WeakPolarHBondContact CB-SG 2.98Å; C34-C51 WeakPolarHBondContact SG-CB 3.42Å; C34-C51 CovalentContact SG-SG 2.04Å; C34-C51 PolarHBondContact SG-SG 3.47Å; E38-C51 HydrophobicContact CB-CB 3.97Å; E38-C51 HydrophobicContact CG-CB 4.38Å; E38-C51 VanDerWaalsContact OE2-CB 3.28Å; E38-C51 WeakPolarHBondContact OE2-CB 3.45Å; V39-C51 WeakPolarHBondContact O-CA 2.96Å; K49-C51 PolarHBondContact O-N 2.91Å; K49-C51 PolarHBondContact O-SG 2.98Å |
| 52 | V | 94.9 | Very high | 85 | Confident | 0 Ų | 0 | 92.1 Ų | 92.1 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142 | -175.3 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | W24 E38 V39 V57 | W24-V52 HydrophobicContact CB-CG2 3.72Å; W24-V52 VanDerWaalsContact CD1-CG1 3.42Å; W24-V52 HydrophobicContact CG-CG1 4.14Å; W24-V52 HydrophobicContact CG-CG2 3.76Å; E38-V52 CarbonylContact C-O 3.56Å; E38-V52 WeakPolarHBondContact CA-O 3.06Å; V39-V52 WeakPolarHBondContact CG2-O 3.33Å; V39-V52 PolarHBondContact N-O 2.9Å; V39-V52 PolarHBondContact O-N 2.94Å; V52-V57 HydrophobicContact CB-CG2 3.94Å; V52-V57 HydrophobicContact CG1-CG2 3.66Å |
| 53 | D | 93.1 | Very high | 83.2 | Confident | 54 Ų | 54 | 94.1 Ų | 94.1 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | trans | -66.8 | 127.4 | 169.7 | -172.2 | -46.2 | 0 | 0 | 0 | 108.9 | K55 Y56 | D53-K55 HydrophobicContact CB-CD 4.5Å; D53-K55 HydrophobicContact CB-CG 4.29Å; D53-K55 VanDerWaalsContact CG-CE 3.5Å; D53-K55 PolarHBondContact O-N 2.99Å; D53-K55 VanDerWaalsContact OD1-CD 3.26Å; D53-K55 WeakPolarHBondContact OD1-CD 3.26Å; D53-K55 WeakPolarHBondContact OD1-CG 3.22Å; D53-K55 PolarHBondContact OD1-N 3.15Å; D53-K55 WeakPolarHBondContact OD2-CE 3.16Å; D53-K55 IonicContact OD2-NZ 2.76Å; D53-K55 PolarHBondContact OD2-NZ 2.76Å; D53-Y56 HydrophobicContact CB-CD2 3.75Å; D53-Y56 HydrophobicContact CB-CE2 4.01Å; D53-Y56 PolarHBondContact O-N 2.95Å | ||
| 54 | P | 90.9 | Very high | 80.9 | Confident | 62 Ų | 62 | 93.8 Ų | 93.8 | 40% | 0.403 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -49.7 | -30.6 | -178.6 | -24.4 | 27.5 | 0 | 0 | 0 | 114 | R37 V39 Y56 V57 | R37-P54 WeakPolarHBondContact O-CD 3.38Å; V39-P54 HydrophobicContact CG1-CG 4.07Å; P54-Y56 PolarHBondContact O-N 3.06Å; P54-Y56 VanDerWaalsContact O-N 3.17Å; P54-V57 PolarHBondContact O-N 2.82Å |
| 55 | K | 89.8 | Confident | 78.9 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 59% | 0.587 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -64.2 | -19 | 179.6 | 78 | -160.3 | 177.3 | -151.7 | 0 | 114.3 | D53 | D53-K55 HydrophobicContact CB-CD 4.5Å; D53-K55 HydrophobicContact CB-CG 4.29Å; D53-K55 VanDerWaalsContact CG-CE 3.5Å; D53-K55 PolarHBondContact O-N 2.99Å; D53-K55 VanDerWaalsContact OD1-CD 3.26Å; D53-K55 WeakPolarHBondContact OD1-CD 3.26Å; D53-K55 WeakPolarHBondContact OD1-CG 3.22Å; D53-K55 PolarHBondContact OD1-N 3.15Å; D53-K55 WeakPolarHBondContact OD2-CE 3.16Å; D53-K55 IonicContact OD2-NZ 2.76Å; D53-K55 PolarHBondContact OD2-NZ 2.76Å |
| 56 | Y | 87.1 | Confident | 77.2 | Confident | 120 Ų | 120 | 93.1 Ų | 93.1 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -102.9 | -0.8 | 177.6 | -55.8 | -54.9 | 0 | 0 | 0 | 112.9 | W24 D53 P54 | W24-Y56 PolarHBondContact NE1-O 2.78Å; D53-Y56 HydrophobicContact CB-CD2 3.75Å; D53-Y56 HydrophobicContact CB-CE2 4.01Å; D53-Y56 PolarHBondContact O-N 2.95Å; P54-Y56 PolarHBondContact O-N 3.06Å; P54-Y56 VanDerWaalsContact O-N 3.17Å |
| 57 | V | 85.8 | Confident | 75.4 | Confident | 35 Ų | 35 | 95.5 Ų | 95.5 | 21% | 0.212 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -96.1 | 116.2 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 106.5 | V39 Y41 V52 P54 V59 | V39-V57 HydrophobicContact CG2-CG2 3.85Å; Y41-V57 HydrophobicContact CD2-CG1 4.3Å; Y41-V57 HydrophobicContact CD2-CG2 4.41Å; Y41-V57 HydrophobicContact CE2-CG1 4.3Å; V52-V57 HydrophobicContact CB-CG2 3.94Å; V52-V57 HydrophobicContact CG1-CG2 3.66Å; P54-V57 PolarHBondContact O-N 2.82Å; V57-V59 PolarHBondContact O-N 2.81Å; V57-V59 VanDerWaalsContact O-N 3.14Å |
| 58 | P | 82.9 | Confident | 73.7 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | trans | -55.5 | 124.9 | 172.1 | -20.5 | 31.3 | 0 | 0 | 0 | 108.1 | R60 | P58-R60 PolarHBondContact O-N 3.08Š| ||
| 59 | V | 74.4 | Confident | 71.9 | Confident | 135 Ų | 135 | 98.8 Ų | 98.8 | 82% | 0.818 | 53% | 0.527 | S | S | * | . | trans | -62.1 | 108.9 | 168.3 | -175.2 | 0 | 0 | 0 | 0 | 104.6 | V57 S61 | V57-V59 PolarHBondContact O-N 2.81Å; V57-V59 VanDerWaalsContact O-N 3.14Å; V59-S61 PolarHBondContact O-N 2.76Å | ||
| 60 | R | 63.4 | Low | 70.1 | Confident | 218 Ų | 218 | 102.2 Ų | 102.2 | 82% | 0.823 | 55% | 0.549 | S | S | * | . | trans | -60.4 | 103.1 | 161.3 | -74.2 | -169.2 | -177.9 | -168.8 | 0.7 | 103.8 | P58 K62 | P58-R60 PolarHBondContact O-N 3.08Å; R60-K62 PolarHBondContact O-N 2.68Å | ||
| 61 | S | 52.8 | Low | 67.7 | Low | 103 Ų | 103 | 110.2 Ų | 110.2 | 72% | 0.72 | 59% | 0.586 | S | S | * | * | trans | -48.2 | 119.7 | 155.4 | 41.2 | 0 | 0 | 0 | 0 | 103.6 | V59 L63 | V59-S61 PolarHBondContact O-N 2.76Å; S61-L63 PolarHBondContact O-N 3.01Å | ||
| 62 | K | 51.3 | Low | 65.4 | Low | 178 Ų | 178 | 116.5 Ų | 116.5 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | trans | -52.3 | 98.9 | 174.6 | -168.6 | -173.4 | -174.6 | -149.9 | 0 | 104.3 | R60 T64 | R60-K62 PolarHBondContact O-N 2.68Å; K62-T64 PolarHBondContact O-N 2.84Å; K62-T64 PolarHBondContact O-OG1 2.94Å; K62-T64 VanDerWaalsContact O-OG1 3.08Å | ||
| 63 | L | 53.2 | Low | 63.2 | Low | 137 Ų | 137 | 122 Ų | 122 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | trans | -58.7 | 104.5 | 163.4 | -171.3 | 78.6 | 0 | 0 | 0 | 100.8 | S61 D65 | S61-L63 PolarHBondContact O-N 3.01Å; L63-D65 VanDerWaalsContact CD2-OD1 3.22Å; L63-D65 WeakPolarHBondContact CD2-OD1 2.96Å; L63-D65 PolarHBondContact O-N 3.14Å | ||
| 64 | T | 47.3 | Very low | 61.3 | Low | 90 Ų | 90 | 124.6 Ų | 124.6 | 55% | 0.552 | 69% | 0.686 | S | S | * | * | trans | -76.1 | 79.7 | -178.6 | -66.2 | 0 | 0 | 0 | 0 | 102 | K62 T66 | K62-T64 PolarHBondContact O-N 2.84Å; K62-T64 PolarHBondContact O-OG1 2.94Å; K62-T64 VanDerWaalsContact O-OG1 3.08Å; T64-T66 WeakPolarHBondContact CG2-OG1 3.22Å; T64-T66 PolarHBondContact O-N 3.17Å | ||
| 65 | D | 50.4 | Low | 59 | Low | 132 Ų | 132 | 125.7 Ų | 125.7 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | -70.7 | 65.3 | 159.9 | -66.5 | -29.8 | 0 | 0 | 0 | 105.8 | L63 N67 | L63-D65 VanDerWaalsContact CD2-OD1 3.22Å; L63-D65 WeakPolarHBondContact CD2-OD1 2.96Å; L63-D65 PolarHBondContact O-N 3.14Å; D65-N67 PolarHBondContact O-N 3.07Å | ||
| 66 | T | 51 | Low | 56.9 | Low | 95 Ų | 95 | 129.9 Ų | 129.9 | 58% | 0.583 | 74% | 0.737 | S | S | * | * | trans | -68 | 119.1 | 155.3 | -63.9 | 0 | 0 | 0 | 0 | 104.3 | T64 | T64-T66 WeakPolarHBondContact CG2-OG1 3.22Å; T64-T66 PolarHBondContact O-N 3.17Å | ||
| 67 | N | 50.4 | Low | 55.4 | Low | 144 Ų | 144 | 130.4 Ų | 130.4 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 104.6 | 67.7 | 169 | -47.8 | -25.1 | 0 | 0 | 0 | 115.9 | D65 | D65-N67 PolarHBondContact O-N 3.07Š| ||
| 68 | T | 51.9 | Low | 53.8 | Low | 151 Ų | 151 | 135.4 Ų | 135.4 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | -129 | 85.1 | 132.4 | -61.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 69 | S | 55.5 | Low | 52.2 | Low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -145.7 | 107.7 | 157.1 | -178.4 | 0 | 0 | 0 | 0 | 107 | ||
| 70 | L | 57 | Low | 50.9 | Low | 157 Ų | 157 | 137.8 Ų | 137.8 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 46.1 | 105.5 | 166.7 | -84.7 | 82.7 | 0 | 0 | 0 | 117.8 | ||||
| 71 | E | 42.6 | Very low | 50.1 | Low | 169 Ų | 169 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | -162.5 | 85.5 | 125.9 | -158.5 | 107.5 | 114.9 | 0 | 0 | 108.3 | |||||
| 72 | S | 47.6 | Very low | 49.9 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -97.6 | 77.5 | 155.7 | -71.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 73 | T | 48.4 | Very low | 49.8 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -100.6 | 113.8 | 165.3 | -45.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 74 | S | 52.8 | Low | 49.6 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -69.9 | 142.4 | 179.7 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 75 | A | 44.2 | Very low | 49.7 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 53.9 | 118.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 76 | V | 45.1 | Very low | 49.7 | Very low | 223 Ų | 223 | 135 Ų | 135 | 100% | 1.352 | 83% | 0.825 | S | S | * | * | -130.2 | 0 | 128.5 | -175.7 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 76 of 76 residues in 245.7 ms
(Link to these results)