| 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 | 55.2 | Low | 64.4 | Low | 198 Ų | 198 | 129.8 Ų | 129.8 | 98% | 0.975 | 63% | 0.634 | S | S | * | * | 0 | 125.3 | 0 | -71.8 | -160.9 | -152.9 | 0 | 0 | 108.4 | R6 | M1-R6 PolarHBondContact O-NH2 3.44Š| |||
| 2 | D | 72.1 | Confident | 64.1 | Low | 101 Ų | 101 | 130.8 Ų | 130.8 | 54% | 0.54 | 63% | 0.632 | S | S | . | * | trans | -65.2 | 149.9 | -172.7 | -164.7 | 10.8 | 0 | 0 | 0 | 111.7 | L4 D5 R6 | D2-L4 PolarHBondContact O-N 2.93Å; D2-D5 PolarHBondContact O-N 2.82Å; D2-D5 VanDerWaalsContact O-N 3.11Å; D2-R6 PolarHBondContact O-N 3.47Å | ||
| 3 | A | 66.4 | Low | 63.9 | Low | 70 Ų | 70 | 126.2 Ų | 126.2 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.4 | -30.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R6 H7 | A3-R6 PolarHBondContact O-N 2.78Å; A3-H7 PolarHBondContact O-N 3.36Å |
| 4 | L | 65.4 | Low | 63.8 | Low | 125 Ų | 125 | 126.1 Ų | 126.1 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68 | -35.2 | 175.2 | -64.9 | 175.8 | 0 | 0 | 0 | 112.9 | D2 H7 R8 | D2-L4 PolarHBondContact O-N 2.93Å; L4-H7 PolarHBondContact O-N 3.27Å; L4-R8 WeakPolarHBondContact O-CB 3.3Å; L4-R8 PolarHBondContact O-N 2.94Å |
| 5 | D | 62.6 | Low | 63.7 | Low | 95 Ų | 95 | 122.5 Ų | 122.5 | 51% | 0.508 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.3 | -35.1 | 177.3 | -91.1 | -22.2 | 0 | 0 | 0 | 111.8 | D2 S9 | D2-D5 PolarHBondContact O-N 2.82Å; D2-D5 VanDerWaalsContact O-N 3.11Å; D5-S9 PolarHBondContact O-N 3.44Å; D5-S9 VanDerWaalsContact O-N 3.11Å; D5-S9 PolarHBondContact O-OG 3.09Å |
| 6 | R | 66.9 | Low | 63.5 | Low | 162 Ų | 162 | 117.9 Ų | 117.9 | 61% | 0.611 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68 | -38.3 | 174 | -85 | -174.9 | -93.1 | -155.9 | -4.1 | 112.8 | M1 D2 A3 S9 L10 | M1-R6 PolarHBondContact O-NH2 3.44Å; D2-R6 PolarHBondContact O-N 3.47Å; A3-R6 PolarHBondContact O-N 2.78Å; R6-S9 PolarHBondContact O-OG 3.01Å; R6-L10 WeakPolarHBondContact O-CG 3.2Å |
| 7 | H | 65.4 | Low | 63.7 | Low | 126 Ų | 126 | 117.2 Ų | 117.2 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72 | -36.7 | 176.7 | -170.4 | -92.6 | 0 | 0 | 0 | 111.9 | A3 L4 | A3-H7 PolarHBondContact O-N 3.36Å; L4-H7 PolarHBondContact O-N 3.27Å |
| 8 | R | 62.7 | Low | 64.2 | Low | 162 Ų | 162 | 119.7 Ų | 119.7 | 61% | 0.611 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.7 | -38.3 | 177 | -104.7 | -179 | 168.3 | -158.9 | -1 | 113.2 | L4 L10 Y11 K12 | L4-R8 WeakPolarHBondContact O-CB 3.3Å; L4-R8 PolarHBondContact O-N 2.94Å; R8-L10 VanDerWaalsContact C-N 3.25Å; R8-L10 PolarHBondContact O-N 3.24Å; R8-Y11 PolarHBondContact O-N 2.9Å; R8-K12 PolarHBondContact O-N 3.45Å |
| 9 | S | 63.5 | Low | 64.6 | Low | 71 Ų | 71 | 118.3 Ų | 118.3 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.9 | -19.2 | -177.9 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | D5 R6 | D5-S9 PolarHBondContact O-N 3.44Å; D5-S9 VanDerWaalsContact O-N 3.11Å; D5-S9 PolarHBondContact O-OG 3.09Å; R6-S9 PolarHBondContact O-OG 3.01Å |
| 10 | L | 66.3 | Low | 65.3 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 68% | 0.681 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74 | -31.3 | 176.9 | -70.6 | 169.8 | 0 | 0 | 0 | 113.5 | R6 R8 | R6-L10 WeakPolarHBondContact O-CG 3.2Å; R8-L10 VanDerWaalsContact C-N 3.25Å; R8-L10 PolarHBondContact O-N 3.24Å |
| 11 | Y | 62.5 | Low | 65.8 | Low | 188 Ų | 188 | 114.3 Ų | 114.3 | 74% | 0.737 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -122.9 | -15.1 | -172.5 | -62.1 | -78.5 | 0 | 0 | 0 | 114.5 | R8 | R8-Y11 PolarHBondContact O-N 2.9Å |
| 12 | K | 60.2 | Low | 66.9 | Low | 141 Ų | 141 | 111.1 Ų | 111.1 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -121.7 | 112.7 | 174.3 | -61.8 | -171 | 179.6 | -172.9 | 0 | 108 | R8 T14 | R8-K12 PolarHBondContact O-N 3.45Å; K12-T14 PolarHBondContact O-N 2.78Å |
| 13 | G | 61.7 | Low | 67.3 | Low | 72 Ų | 72 | 111.7 Ų | 111.7 | 74% | 0.742 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 130.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | T15 | G13-T15 PolarHBondContact O-N 3.06Å; G13-T15 VanDerWaalsContact O-N 3.09Å |
| 14 | T | 62.3 | Low | 68 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 77% | 0.767 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 121.6 | 175.7 | 30.8 | 0 | 0 | 0 | 0 | 107.8 | K12 P16 | K12-T14 PolarHBondContact O-N 2.78Å; T14-P16 VanDerWaalsContact O-CD 3.3Å; T14-P16 WeakPolarHBondContact O-CD 3.49Å |
| 15 | T | 62.1 | Low | 68.9 | Low | 71 Ų | 71 | 116.6 Ų | 116.6 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 122.6 | -178.9 | -62.3 | 0 | 0 | 0 | 0 | 106.7 | G13 K19 | G13-T15 PolarHBondContact O-N 3.06Å; G13-T15 VanDerWaalsContact O-N 3.09Å; T15-K19 HydrophobicContact CG2-CB 3.64Å; T15-K19 HydrophobicContact CG2-CD 3.96Å; T15-K19 HydrophobicContact CG2-CG 4.33Å |
| 16 | P | 61.1 | Low | 69.9 | Low | 49 Ų | 49 | 114.6 Ų | 114.6 | 32% | 0.318 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -49.6 | 133.6 | -176.6 | -31.1 | 35 | 0 | 0 | 0 | 110.5 | T14 W18 K19 | T14-P16 VanDerWaalsContact O-CD 3.3Å; T14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-W18 VanDerWaalsContact CB-CD1 3.43Å; P16-W18 HydrophobicContact CB-CG 4.34Å; P16-W18 VanDerWaalsContact CB-NE1 3.35Å; P16-W18 PolarHBondContact O-N 3.45Å; P16-K19 PolarHBondContact O-N 3.3Å |
| 17 | P | 67.2 | Low | 70.8 | Confident | 106 Ų | 106 | 110.4 Ų | 110.4 | 69% | 0.688 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -53.2 | -30 | -170.4 | -27.5 | 32.6 | 0 | 0 | 0 | 113.8 | K19 E20 T21 | P17-K19 PolarHBondContact O-N 3.21Å; P17-E20 PolarHBondContact O-N 3.45Å; P17-T21 WeakPolarHBondContact O-CB 3.23Å; P17-T21 PolarHBondContact O-N 2.94Å; P17-T21 PolarHBondContact O-OG1 2.94Å |
| 18 | W | 71.6 | Confident | 71.9 | Confident | 163 Ų | 163 | 108.3 Ų | 108.3 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.5 | -32.2 | 176.8 | 73.9 | -100.3 | 0 | 0 | 0 | 113.7 | P16 T21 Y22 | P16-W18 VanDerWaalsContact CB-CD1 3.43Å; P16-W18 HydrophobicContact CB-CG 4.34Å; P16-W18 VanDerWaalsContact CB-NE1 3.35Å; P16-W18 PolarHBondContact O-N 3.45Å; W18-T21 PolarHBondContact O-N 2.8Å; W18-Y22 WeakPolarHBondContact O-CB 3.4Å; W18-Y22 PolarHBondContact O-N 3.24Å |
| 19 | K | 73.3 | Confident | 73 | Confident | 93 Ų | 93 | 108 Ų | 108 | 40% | 0.404 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 178.3 | -67.3 | -171.9 | -175.6 | -179.7 | 0 | 111.4 | T15 P16 P17 Y22 R23 | T15-K19 HydrophobicContact CG2-CB 3.64Å; T15-K19 HydrophobicContact CG2-CD 3.96Å; T15-K19 HydrophobicContact CG2-CG 4.33Å; P16-K19 PolarHBondContact O-N 3.3Å; P17-K19 PolarHBondContact O-N 3.21Å; K19-Y22 PolarHBondContact O-N 3.36Å; K19-R23 PolarHBondContact O-N 3.45Å |
| 20 | E | 77.2 | Confident | 74 | Confident | 85 Ų | 85 | 110.6 Ų | 110.6 | 40% | 0.397 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.2 | -164.5 | 60.1 | -126.3 | 0 | 0 | 110.6 | P17 Y22 R23 K24 | P17-E20 PolarHBondContact O-N 3.45Å; E20-Y22 VanDerWaalsContact C-N 3.32Å; E20-Y22 PolarHBondContact O-N 3.11Å; E20-R23 PolarHBondContact O-N 3Å; E20-R23 IonicContact OE1-NH1 2.61Å; E20-R23 PolarHBondContact OE1-NH1 3.44Å; E20-R23 IonicContact OE2-CZ 3.69Å; E20-R23 IonicContact OE2-NH1 3.31Å; E20-R23 PolarHBondContact OE2-NH1 3.21Å; E20-R23 IonicContact OE2-NH2 3.91Å; E20-K24 PolarHBondContact O-N 2.99Å |
| 21 | T | 76.2 | Confident | 74.9 | Confident | 67 Ų | 67 | 110.4 Ų | 110.4 | 41% | 0.411 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 176.1 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | P17 W18 R25 | P17-T21 WeakPolarHBondContact O-CB 3.23Å; P17-T21 PolarHBondContact O-N 2.94Å; P17-T21 PolarHBondContact O-OG1 2.94Å; W18-T21 PolarHBondContact O-N 2.8Å; T21-R25 WeakPolarHBondContact O-CB 3.48Å; T21-R25 WeakPolarHBondContact O-CG 3.33Å; T21-R25 PolarHBondContact O-N 3.42Å |
| 22 | Y | 77.7 | Confident | 75.9 | Confident | 131 Ų | 131 | 106.7 Ų | 106.7 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 175 | 179.1 | -92.3 | 0 | 0 | 0 | 111.7 | W18 K19 E20 R25 C26 | W18-Y22 WeakPolarHBondContact O-CB 3.4Å; W18-Y22 PolarHBondContact O-N 3.24Å; K19-Y22 PolarHBondContact O-N 3.36Å; E20-Y22 VanDerWaalsContact C-N 3.32Å; E20-Y22 PolarHBondContact O-N 3.11Å; Y22-R25 PolarHBondContact O-N 2.61Å; Y22-C26 VanDerWaalsContact O-CB 3.23Å; Y22-C26 WeakPolarHBondContact O-CB 3.3Å; Y22-C26 PolarHBondContact O-N 3.19Å |
| 23 | R | 81.9 | Confident | 76.7 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 43% | 0.426 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.5 | -85 | -166.1 | -112.2 | 94.6 | -3.7 | 111.5 | K19 E20 C26 V27 | K19-R23 PolarHBondContact O-N 3.45Å; E20-R23 PolarHBondContact O-N 3Å; E20-R23 IonicContact OE1-NH1 2.61Å; E20-R23 PolarHBondContact OE1-NH1 3.44Å; E20-R23 IonicContact OE2-CZ 3.69Å; E20-R23 IonicContact OE2-NH1 3.31Å; E20-R23 PolarHBondContact OE2-NH1 3.21Å; E20-R23 IonicContact OE2-NH2 3.91Å; R23-C26 PolarHBondContact O-N 2.92Å; R23-V27 WeakPolarHBondContact O-CG2 3.46Å; R23-V27 PolarHBondContact O-N 2.85Å |
| 24 | K | 80.1 | Confident | 77.8 | Confident | 129 Ų | 129 | 107.8 Ų | 107.8 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.7 | -52.4 | 175.2 | -73.8 | -176.2 | 178.9 | -178.4 | 0 | 111.6 | E20 C26 V27 D28 | E20-K24 PolarHBondContact O-N 2.99Å; K24-C26 VanDerWaalsContact C-N 3.25Å; K24-C26 PolarHBondContact O-N 2.84Å; K24-V27 PolarHBondContact O-N 3.43Å; K24-D28 WeakPolarHBondContact O-CB 3.32Å; K24-D28 VanDerWaalsContact O-CG 3.26Å; K24-D28 PolarHBondContact O-N 3.34Å |
| 25 | R | 85 | Confident | 78.7 | Confident | 170 Ų | 170 | 106.3 Ų | 106.3 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -31 | 177.4 | -73.5 | -178.1 | 178.9 | -173.5 | 0.6 | 113.5 | T21 Y22 R29 | T21-R25 WeakPolarHBondContact O-CB 3.48Å; T21-R25 WeakPolarHBondContact O-CG 3.33Å; T21-R25 PolarHBondContact O-N 3.42Å; Y22-R25 PolarHBondContact O-N 2.61Å; R25-R29 VanDerWaalsContact O-CB 3.3Å; R25-R29 WeakPolarHBondContact O-CB 3.45Å; R25-R29 WeakPolarHBondContact O-CG 3.39Å; R25-R29 PolarHBondContact O-N 3.24Å; R25-R29 PolarHBondContact O-NE 3.32Å |
| 26 | C | 84 | Confident | 79.6 | Confident | 53 Ų | 53 | 110.6 Ų | 110.6 | 36% | 0.358 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.1 | -47.3 | 176.1 | -166.3 | 0 | 0 | 0 | 0 | 111 | Y22 R23 K24 D28 R29 L30 | Y22-C26 VanDerWaalsContact O-CB 3.23Å; Y22-C26 WeakPolarHBondContact O-CB 3.3Å; Y22-C26 PolarHBondContact O-N 3.19Å; R23-C26 PolarHBondContact O-N 2.92Å; K24-C26 VanDerWaalsContact C-N 3.25Å; K24-C26 PolarHBondContact O-N 2.84Å; C26-D28 VanDerWaalsContact C-N 3.34Å; C26-D28 PolarHBondContact O-N 3.2Å; C26-R29 PolarHBondContact O-N 3.46Å; C26-L30 WeakPolarHBondContact O-CB 3.48Å; C26-L30 PolarHBondContact O-N 3.5Å |
| 27 | V | 85.6 | Confident | 80.5 | Confident | 74 Ų | 74 | 112 Ų | 112 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | R23 K24 L30 K31 | R23-V27 WeakPolarHBondContact O-CG2 3.46Å; R23-V27 PolarHBondContact O-N 2.85Å; K24-V27 PolarHBondContact O-N 3.43Å; V27-L30 WeakPolarHBondContact O-CB 3.22Å; V27-L30 PolarHBondContact O-N 2.86Å; V27-K31 HydrophobicContact CG1-CD 4.14Å; V27-K31 HydrophobicContact CG1-CG 4.43Å; V27-K31 WeakPolarHBondContact O-CB 3.46Å; V27-K31 WeakPolarHBondContact O-CG 3.36Å; V27-K31 PolarHBondContact O-N 3.31Å |
| 28 | D | 86.9 | Confident | 81 | Confident | 82 Ų | 82 | 110 Ų | 110 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 177.8 | -67.2 | -25.1 | 0 | 0 | 0 | 111.5 | K24 C26 L30 K31 N32 | K24-D28 WeakPolarHBondContact O-CB 3.32Å; K24-D28 VanDerWaalsContact O-CG 3.26Å; K24-D28 PolarHBondContact O-N 3.34Å; C26-D28 VanDerWaalsContact C-N 3.34Å; C26-D28 PolarHBondContact O-N 3.2Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.26Å; D28-K31 PolarHBondContact O-N 2.83Å; D28-N32 VanDerWaalsContact O-CB 3.27Å; D28-N32 WeakPolarHBondContact O-CB 3.47Å; D28-N32 PolarHBondContact O-N 2.89Å; D28-N32 PolarHBondContact O-ND2 3.19Å |
| 29 | R | 86.5 | Confident | 81.2 | Confident | 154 Ų | 154 | 103.5 Ų | 103.5 | 58% | 0.581 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -41 | 171.8 | -84.3 | -172.3 | -68.8 | -175.6 | 1.4 | 112.1 | R25 C26 S33 | R25-R29 VanDerWaalsContact O-CB 3.3Å; R25-R29 WeakPolarHBondContact O-CB 3.45Å; R25-R29 WeakPolarHBondContact O-CG 3.39Å; R25-R29 PolarHBondContact O-N 3.24Å; R25-R29 PolarHBondContact O-NE 3.32Å; C26-R29 PolarHBondContact O-N 3.46Å; R29-S33 VanDerWaalsContact O-CB 3.22Å; R29-S33 WeakPolarHBondContact O-CB 3.5Å; R29-S33 PolarHBondContact O-N 3.37Å |
| 30 | L | 84.8 | Confident | 81.3 | Confident | 127 Ų | 127 | 105.6 Ų | 105.6 | 67% | 0.665 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.6 | -46.8 | 178.8 | -158.4 | 98.6 | 0 | 0 | 0 | 111 | C26 V27 D28 S33 R34 | C26-L30 WeakPolarHBondContact O-CB 3.48Å; C26-L30 PolarHBondContact O-N 3.5Å; V27-L30 WeakPolarHBondContact O-CB 3.22Å; V27-L30 PolarHBondContact O-N 2.86Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.26Å; L30-S33 PolarHBondContact O-N 3.24Å; L30-R34 WeakPolarHBondContact O-CB 3.42Å; L30-R34 PolarHBondContact O-N 2.96Å |
| 31 | K | 85.5 | Confident | 80.7 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 175.9 | -75 | 179.4 | 176.9 | -178.6 | 0 | 111.1 | V27 D28 S33 R34 T35 | V27-K31 HydrophobicContact CG1-CD 4.14Å; V27-K31 HydrophobicContact CG1-CG 4.43Å; V27-K31 WeakPolarHBondContact O-CB 3.46Å; V27-K31 WeakPolarHBondContact O-CG 3.36Å; V27-K31 PolarHBondContact O-N 3.31Å; D28-K31 PolarHBondContact O-N 2.83Å; K31-S33 PolarHBondContact O-N 2.86Å; K31-R34 PolarHBondContact O-N 3.11Å; K31-T35 PolarHBondContact O-N 3.28Å; K31-T35 PolarHBondContact O-OG1 3.47Å |
| 32 | N | 82.4 | Confident | 80.5 | Confident | 110 Ų | 110 | 115.5 Ų | 115.5 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -37.3 | 178.4 | -69.8 | -20.9 | 0 | 0 | 0 | 112.2 | D28 R36 | D28-N32 VanDerWaalsContact O-CB 3.27Å; D28-N32 WeakPolarHBondContact O-CB 3.47Å; D28-N32 PolarHBondContact O-N 2.89Å; D28-N32 PolarHBondContact O-ND2 3.19Å; N32-R36 WeakPolarHBondContact O-CB 3.36Å; N32-R36 PolarHBondContact O-N 2.83Å |
| 33 | S | 77.9 | Confident | 79.6 | Confident | 56 Ų | 56 | 115.6 Ų | 115.6 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 173.6 | -168.4 | 0 | 0 | 0 | 0 | 111.3 | R29 L30 K31 R36 L37 | R29-S33 VanDerWaalsContact O-CB 3.22Å; R29-S33 WeakPolarHBondContact O-CB 3.5Å; R29-S33 PolarHBondContact O-N 3.37Å; L30-S33 PolarHBondContact O-N 3.24Å; K31-S33 PolarHBondContact O-N 2.86Å; S33-R36 PolarHBondContact O-N 2.89Å; S33-L37 WeakPolarHBondContact O-CB 3.2Å; S33-L37 PolarHBondContact O-N 2.96Å |
| 34 | R | 84.4 | Confident | 78.2 | Confident | 179 Ų | 179 | 117.4 Ų | 117.4 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.5 | -50 | 175.3 | -177.8 | -177.8 | -179.5 | -125.6 | 3.2 | 111.3 | L30 K31 R36 L37 L38 | L30-R34 WeakPolarHBondContact O-CB 3.42Å; L30-R34 PolarHBondContact O-N 2.96Å; K31-R34 PolarHBondContact O-N 3.11Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-R36 PolarHBondContact O-N 3.27Å; R34-L37 WeakPolarHBondContact O-CB 3.33Å; R34-L37 PolarHBondContact O-N 2.87Å; R34-L38 HydrophobicContact CG-CD1 3.99Å; R34-L38 HydrophobicContact CG-CG 4.41Å; R34-L38 WeakPolarHBondContact O-CB 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.39Å; R34-L38 PolarHBondContact O-N 3.4Å |
| 35 | T | 81 | Confident | 76.8 | Confident | 95 Ų | 95 | 112.9 Ų | 112.9 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -38.5 | 178.8 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | K31 G39 | K31-T35 PolarHBondContact O-N 3.28Å; K31-T35 PolarHBondContact O-OG1 3.47Å; T35-G39 WeakPolarHBondContact O-CA 3.27Å; T35-G39 PolarHBondContact O-N 3.33Å |
| 36 | R | 82.2 | Confident | 75 | Confident | 160 Ų | 160 | 110.7 Ų | 110.7 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.8 | -35.6 | 175.2 | -174.2 | 178.2 | 64.7 | -175 | 1.8 | 113 | N32 S33 R34 R40 | N32-R36 WeakPolarHBondContact O-CB 3.36Å; N32-R36 PolarHBondContact O-N 2.83Å; S33-R36 PolarHBondContact O-N 2.89Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-R36 PolarHBondContact O-N 3.27Å; R36-R40 PolarHBondContact O-N 2.83Å |
| 37 | L | 78.4 | Confident | 73.3 | Confident | 79 Ų | 79 | 116.9 Ų | 116.9 | 41% | 0.414 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.3 | -52 | 174.2 | -169 | 92.9 | 0 | 0 | 0 | 109.9 | S33 R34 G39 R40 Y41 | S33-L37 WeakPolarHBondContact O-CB 3.2Å; S33-L37 PolarHBondContact O-N 2.96Å; R34-L37 WeakPolarHBondContact O-CB 3.33Å; R34-L37 PolarHBondContact O-N 2.87Å; L37-G39 VanDerWaalsContact C-N 3.3Å; L37-G39 PolarHBondContact O-N 3.38Å; L37-R40 WeakPolarHBondContact O-CB 3.47Å; L37-R40 PolarHBondContact O-N 2.95Å; L37-R40 VanDerWaalsContact O-N 3.14Å; L37-Y41 HydrophobicContact CD1-CE2 4.35Å; L37-Y41 HydrophobicContact CD2-CD2 4.42Å; L37-Y41 HydrophobicContact CD2-CE2 4.03Å; L37-Y41 HydrophobicContact CG-CD2 4.07Å; L37-Y41 HydrophobicContact CG-CE2 3.85Å; L37-Y41 VanDerWaalsContact O-CD2 3.25Å; L37-Y41 WeakPolarHBondContact O-CD2 3.44Å; L37-Y41 PolarHBondContact O-N 3.14Å |
| 38 | L | 77.8 | Confident | 71.5 | Confident | 65 Ų | 65 | 120.9 Ų | 120.9 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.9 | -38.5 | 176.8 | -66.6 | 175.5 | 0 | 0 | 0 | 111.8 | R34 Y41 R42 | R34-L38 HydrophobicContact CG-CD1 3.99Å; R34-L38 HydrophobicContact CG-CG 4.41Å; R34-L38 WeakPolarHBondContact O-CB 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.39Å; R34-L38 PolarHBondContact O-N 3.4Å; L38-Y41 PolarHBondContact O-N 2.79Å; L38-R42 WeakPolarHBondContact O-CB 3.48Å; L38-R42 VanDerWaalsContact O-CG 3.22Å; L38-R42 WeakPolarHBondContact O-CG 3.48Å; L38-R42 PolarHBondContact O-N 2.78Å |
| 39 | G | 76.3 | Confident | 69.5 | Low | 25 Ų | 25 | 121.1 Ų | 121.1 | 26% | 0.258 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T35 L37 R42 Q43 | T35-G39 WeakPolarHBondContact O-CA 3.27Å; T35-G39 PolarHBondContact O-N 3.33Å; L37-G39 VanDerWaalsContact C-N 3.3Å; L37-G39 PolarHBondContact O-N 3.38Å; G39-R42 PolarHBondContact O-N 3.32Å; G39-Q43 WeakPolarHBondContact O-CB 3.38Å; G39-Q43 WeakPolarHBondContact O-CG 3.22Å; G39-Q43 PolarHBondContact O-N 2.84Å |
| 40 | R | 74.4 | Confident | 67.4 | Low | 137 Ų | 137 | 125.9 Ų | 125.9 | 52% | 0.517 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.5 | -46.1 | 172.6 | -83.4 | -172.6 | -74 | 163.8 | -2 | 112 | R36 L37 R42 Q43 M44 | R36-R40 PolarHBondContact O-N 2.83Å; L37-R40 WeakPolarHBondContact O-CB 3.47Å; L37-R40 PolarHBondContact O-N 2.95Å; L37-R40 VanDerWaalsContact O-N 3.14Å; R40-R42 VanDerWaalsContact C-N 3.27Å; R40-R42 PolarHBondContact O-N 2.91Å; R40-Q43 PolarHBondContact O-N 3.27Å; R40-M44 VanDerWaalsContact O-CB 3.26Å; R40-M44 WeakPolarHBondContact O-CB 3.26Å; R40-M44 PolarHBondContact O-N 3.13Å |
| 41 | Y | 66.1 | Low | 65.5 | Low | 169 Ų | 169 | 124.4 Ų | 124.4 | 66% | 0.663 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.4 | -37.4 | 176.1 | -83.3 | -74.9 | 0 | 0 | 0 | 112.6 | L37 L38 G45 | L37-Y41 HydrophobicContact CD1-CE2 4.35Å; L37-Y41 HydrophobicContact CD2-CD2 4.42Å; L37-Y41 HydrophobicContact CD2-CE2 4.03Å; L37-Y41 HydrophobicContact CG-CD2 4.07Å; L37-Y41 HydrophobicContact CG-CE2 3.85Å; L37-Y41 VanDerWaalsContact O-CD2 3.25Å; L37-Y41 WeakPolarHBondContact O-CD2 3.44Å; L37-Y41 PolarHBondContact O-N 3.14Å; L38-Y41 PolarHBondContact O-N 2.79Å; Y41-G45 PolarHBondContact O-N 3.28Å |
| 42 | R | 72.4 | Confident | 63.7 | Low | 191 Ų | 191 | 123.8 Ų | 123.8 | 72% | 0.721 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.5 | -41.5 | 176.1 | -70 | 170.9 | -174.7 | -164.4 | -0.5 | 112.4 | L38 G39 R40 G45 D46 | L38-R42 WeakPolarHBondContact O-CB 3.48Å; L38-R42 VanDerWaalsContact O-CG 3.22Å; L38-R42 WeakPolarHBondContact O-CG 3.48Å; L38-R42 PolarHBondContact O-N 2.78Å; G39-R42 PolarHBondContact O-N 3.32Å; R40-R42 VanDerWaalsContact C-N 3.27Å; R40-R42 PolarHBondContact O-N 2.91Å; R42-G45 PolarHBondContact O-N 2.96Å; R42-D46 PolarHBondContact O-N 3.43Å |
| 43 | Q | 58.3 | Low | 62.2 | Low | 134 Ų | 134 | 123 Ų | 123 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.4 | -34.7 | 177.8 | -76.4 | 175.9 | -8.8 | 0 | 0 | 113 | G39 R40 G45 D46 E47 | G39-Q43 WeakPolarHBondContact O-CB 3.38Å; G39-Q43 WeakPolarHBondContact O-CG 3.22Å; G39-Q43 PolarHBondContact O-N 2.84Å; R40-Q43 PolarHBondContact O-N 3.27Å; Q43-G45 PolarHBondContact O-N 3.24Å; Q43-D46 PolarHBondContact O-N 3.49Å; Q43-E47 PolarHBondContact O-N 3.35Å; Q43-E47 VanDerWaalsContact O-N 3.13Å |
| 44 | M | 51.8 | Low | 61 | Low | 150 Ų | 150 | 122.5 Ų | 122.5 | 74% | 0.739 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.7 | -24.7 | 171.4 | -146.8 | 112.3 | 169.7 | 0 | 0 | 111.3 | R40 | R40-M44 VanDerWaalsContact O-CB 3.26Å; R40-M44 WeakPolarHBondContact O-CB 3.26Å; R40-M44 PolarHBondContact O-N 3.13Å |
| 45 | G | 50.9 | Low | 59.5 | Low | 34 Ų | 34 | 119.2 Ų | 119.2 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.9 | -25.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y41 R42 Q43 T49 | Y41-G45 PolarHBondContact O-N 3.28Å; R42-G45 PolarHBondContact O-N 2.96Å; Q43-G45 PolarHBondContact O-N 3.24Å; G45-T49 WeakPolarHBondContact O-CG2 3.14Å; G45-T49 PolarHBondContact O-N 3.3Å; G45-T49 PolarHBondContact O-OG1 3.29Å |
| 46 | D | 47.6 | Very low | 58.5 | Low | 124 Ų | 124 | 119 Ų | 119 | 66% | 0.663 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -87.5 | -25.5 | -179 | -105.7 | -7.7 | 0 | 0 | 0 | 113.6 | R42 Q43 Q48 T49 | R42-D46 PolarHBondContact O-N 3.43Å; Q43-D46 PolarHBondContact O-N 3.49Å; D46-Q48 VanDerWaalsContact C-N 3.27Å; D46-T49 WeakPolarHBondContact CA-OG1 3.47Å; D46-T49 PolarHBondContact O-OG1 3.04Å; D46-T49 VanDerWaalsContact O-OG1 3.04Å |
| 47 | E | 48.3 | Very low | 57.6 | Low | 184 Ų | 184 | 115.4 Ų | 115.4 | 86% | 0.86 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -76.8 | -15.6 | 172 | -72.2 | -162.8 | 149.8 | 0 | 0 | 112.8 | Q43 | Q43-E47 PolarHBondContact O-N 3.35Å; Q43-E47 VanDerWaalsContact O-N 3.13Å |
| 48 | Q | 48.4 | Very low | 57.1 | Low | 157 Ų | 157 | 117 Ų | 117 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -108.1 | 4.6 | -179.5 | -142.9 | 82.1 | 53.2 | 0 | 0 | 113.7 | D46 R50 | D46-Q48 VanDerWaalsContact C-N 3.27Å; Q48-R50 VanDerWaalsContact C-N 3.3Å; Q48-R50 PolarHBondContact O-N 3.06Å |
| 49 | T | 43.3 | Very low | 56.7 | Low | 87 Ų | 87 | 118.1 Ų | 118.1 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | 66.3 | 176.7 | 40.2 | 0 | 0 | 0 | 0 | 112.1 | G45 D46 | G45-T49 WeakPolarHBondContact O-CG2 3.14Å; G45-T49 PolarHBondContact O-N 3.3Å; G45-T49 PolarHBondContact O-OG1 3.29Å; D46-T49 WeakPolarHBondContact CA-OG1 3.47Å; D46-T49 PolarHBondContact O-OG1 3.04Å; D46-T49 VanDerWaalsContact O-OG1 3.04Å |
| 50 | R | 44 | Very low | 56.3 | Low | 255 Ų | 255 | 120.8 Ų | 120.8 | 96% | 0.962 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 12.8 | 140.9 | -65.5 | -162.1 | 98.5 | 180 | 7.8 | 112.7 | Q48 | Q48-R50 VanDerWaalsContact C-N 3.3Å; Q48-R50 PolarHBondContact O-N 3.06Å |
| 51 | S | 43.5 | Very low | 56.2 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -135.1 | 131.7 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 111 | S53 | S51-S53 PolarHBondContact O-N 3.23Š|
| 52 | S | 48.2 | Very low | 56.7 | Low | 114 Ų | 114 | 115.7 Ų | 115.7 | 80% | 0.797 | 62% | 0.623 | S | S | * | * | trans | -85 | 87.7 | -164.8 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 53 | S | 50.7 | Low | 56.9 | Low | 94 Ų | 94 | 111.2 Ų | 111.2 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | trans | -158.4 | 109.8 | 162.6 | -98.1 | 0 | 0 | 0 | 0 | 111.3 | S51 I57 | S51-S53 PolarHBondContact O-N 3.23Å; S53-I57 VanDerWaalsContact CB-CD1 3.46Å; S53-I57 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 54 | G | 52.8 | Low | 57.7 | Low | 45 Ų | 45 | 108.6 Ų | 108.6 | 46% | 0.464 | 60% | 0.599 | S | S | . | * | trans | -83.5 | -174.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S56 I57 | G54-S56 PolarHBondContact O-N 3.46Å; G54-I57 PolarHBondContact O-N 3.45Å | ||
| 55 | P | 53.7 | Low | 58.8 | Low | 109 Ų | 109 | 108 Ų | 108 | 71% | 0.708 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -6.4 | -177.1 | 22.1 | -33.4 | 0 | 0 | 0 | 116 | I57 V59 | P55-I57 VanDerWaalsContact C-N 3.35Å; P55-V59 WeakPolarHBondContact O-CG2 3.28Å; P55-V59 PolarHBondContact O-N 3.17Å |
| 56 | S | 58.5 | Low | 60.2 | Low | 90 Ų | 90 | 112.4 Ų | 112.4 | 63% | 0.629 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.9 | -33.3 | 175.9 | -166.6 | 0 | 0 | 0 | 0 | 113.1 | G54 Q60 | G54-S56 PolarHBondContact O-N 3.46Å; S56-Q60 WeakPolarHBondContact O-CB 3.26Å; S56-Q60 PolarHBondContact O-N 3.24Å; S56-Q60 VanDerWaalsContact O-N 3.15Å |
| 57 | I | 63.6 | Low | 61.5 | Low | 86 Ų | 86 | 110 Ų | 110 | 44% | 0.441 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.7 | -40.1 | -176.7 | -76.1 | 155.4 | 0 | 0 | 0 | 111.4 | S53 G54 P55 Q60 E61 | S53-I57 VanDerWaalsContact CB-CD1 3.46Å; S53-I57 WeakPolarHBondContact OG-CD1 3.42Å; G54-I57 PolarHBondContact O-N 3.45Å; P55-I57 VanDerWaalsContact C-N 3.35Å; I57-Q60 PolarHBondContact O-N 3.18Å; I57-E61 WeakPolarHBondContact O-CB 3.45Å; I57-E61 PolarHBondContact O-N 3.47Å |
| 58 | I | 68.4 | Low | 62.7 | Low | 111 Ų | 111 | 104.6 Ų | 104.6 | 57% | 0.569 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.8 | -40.8 | 178.7 | -63.5 | 168.4 | 0 | 0 | 0 | 110.9 | Q60 E61 V62 | I58-Q60 VanDerWaalsContact C-N 3.29Å; I58-Q60 PolarHBondContact O-N 2.65Å; I58-E61 PolarHBondContact O-N 3.07Å; I58-V62 WeakPolarHBondContact O-CG2 3.33Å; I58-V62 PolarHBondContact O-N 3.48Å; I58-V62 VanDerWaalsContact O-N 3.08Å |
| 59 | V | 70.2 | Confident | 64.1 | Low | 89 Ų | 89 | 99.5 Ų | 99.5 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -39.8 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | P55 M63 | P55-V59 WeakPolarHBondContact O-CG2 3.28Å; P55-V59 PolarHBondContact O-N 3.17Å; V59-M63 HydrophobicContact CG1-SD 4.44Å; V59-M63 WeakPolarHBondContact O-CB 3.46Å; V59-M63 WeakPolarHBondContact O-CG 3.4Å; V59-M63 PolarHBondContact O-N 3.37Å |
| 60 | Q | 66.7 | Low | 65.5 | Low | 82 Ų | 82 | 99.5 Ų | 99.5 | 38% | 0.383 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.3 | -43.4 | 177.4 | -175.6 | 175.2 | -14.6 | 0 | 0 | 112.2 | S56 I57 I58 M63 E64 | S56-Q60 WeakPolarHBondContact O-CB 3.26Å; S56-Q60 PolarHBondContact O-N 3.24Å; S56-Q60 VanDerWaalsContact O-N 3.15Å; I57-Q60 PolarHBondContact O-N 3.18Å; I58-Q60 VanDerWaalsContact C-N 3.29Å; I58-Q60 PolarHBondContact O-N 2.65Å; Q60-M63 PolarHBondContact O-N 3.47Å; Q60-E64 PolarHBondContact NE2-OE1 3.42Å; Q60-E64 PolarHBondContact O-N 3.48Å |
| 61 | E | 72.1 | Confident | 66.7 | Low | 122 Ų | 122 | 89.9 Ų | 89.9 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 178.3 | -171.9 | 174.8 | -161.4 | 0 | 0 | 111.8 | I57 I58 M63 E64 E65 | I57-E61 WeakPolarHBondContact O-CB 3.45Å; I57-E61 PolarHBondContact O-N 3.47Å; I58-E61 PolarHBondContact O-N 3.07Å; E61-M63 VanDerWaalsContact C-N 3.32Å; E61-M63 PolarHBondContact O-N 3.04Å; E61-E64 PolarHBondContact O-N 2.99Å; E61-E65 PolarHBondContact O-N 3.27Å |
| 62 | V | 77.9 | Confident | 67.8 | Low | 77 Ų | 77 | 89.5 Ų | 89.5 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | I58 E65 E66 | I58-V62 WeakPolarHBondContact O-CG2 3.33Å; I58-V62 PolarHBondContact O-N 3.48Å; I58-V62 VanDerWaalsContact O-N 3.08Å; V62-E65 PolarHBondContact O-N 3.06Å; V62-E66 HydrophobicContact CG1-CG 4.31Å; V62-E66 WeakPolarHBondContact O-CB 3.49Å; V62-E66 VanDerWaalsContact O-CG 3.26Å; V62-E66 WeakPolarHBondContact O-CG 3.33Å; V62-E66 PolarHBondContact O-N 2.91Å |
| 63 | M | 75.6 | Confident | 68.7 | Low | 97 Ų | 97 | 91.1 Ų | 91.1 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 176 | -78.4 | -170.6 | 61.7 | 0 | 0 | 112.8 | V59 Q60 E61 W67 | V59-M63 HydrophobicContact CG1-SD 4.44Å; V59-M63 WeakPolarHBondContact O-CB 3.46Å; V59-M63 WeakPolarHBondContact O-CG 3.4Å; V59-M63 PolarHBondContact O-N 3.37Å; Q60-M63 PolarHBondContact O-N 3.47Å; E61-M63 VanDerWaalsContact C-N 3.32Å; E61-M63 PolarHBondContact O-N 3.04Å; M63-W67 VanDerWaalsContact O-CB 3.27Å; M63-W67 WeakPolarHBondContact O-CB 3.48Å; M63-W67 PolarHBondContact O-N 3.48Å |
| 64 | E | 75.3 | Confident | 69.2 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 176.9 | -78.4 | 172 | -165.3 | 0 | 0 | 112 | Q60 E61 S68 | Q60-E64 PolarHBondContact NE2-OE1 3.42Å; Q60-E64 PolarHBondContact O-N 3.48Å; E61-E64 PolarHBondContact O-N 2.99Å; E64-S68 VanDerWaalsContact O-CB 3.28Å; E64-S68 WeakPolarHBondContact O-CB 3.36Å; E64-S68 PolarHBondContact O-N 3.25Å; E64-S68 PolarHBondContact O-OG 2.87Å |
| 65 | E | 75.6 | Confident | 69.7 | Low | 137 Ų | 137 | 97 Ų | 97 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.1 | -47.5 | 178.3 | -165.7 | 170.1 | -160.8 | 0 | 0 | 111.6 | E61 V62 W67 S68 A69 | E61-E65 PolarHBondContact O-N 3.27Å; V62-E65 PolarHBondContact O-N 3.06Å; E65-W67 PolarHBondContact O-N 3.08Å; E65-S68 PolarHBondContact O-N 3.43Å; E65-A69 PolarHBondContact O-N 3.33Å |
| 66 | E | 80.1 | Confident | 70.2 | Confident | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -37.3 | 177.5 | -67.7 | -70.2 | 136.2 | 0 | 0 | 112.1 | V62 A69 L70 | V62-E66 HydrophobicContact CG1-CG 4.31Å; V62-E66 WeakPolarHBondContact O-CB 3.49Å; V62-E66 VanDerWaalsContact O-CG 3.26Å; V62-E66 WeakPolarHBondContact O-CG 3.33Å; V62-E66 PolarHBondContact O-N 2.91Å; E66-A69 PolarHBondContact O-N 3.42Å; E66-L70 WeakPolarHBondContact O-CG 3.27Å; E66-L70 PolarHBondContact O-N 3.01Å |
| 67 | W | 73.8 | Confident | 70.2 | Confident | 73 Ų | 73 | 100.2 Ų | 100.2 | 28% | 0.277 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 177.2 | -170 | -100.8 | 0 | 0 | 0 | 112.8 | M63 E65 A69 L70 Q71 P78 L80 | M63-W67 VanDerWaalsContact O-CB 3.27Å; M63-W67 WeakPolarHBondContact O-CB 3.48Å; M63-W67 PolarHBondContact O-N 3.48Å; E65-W67 PolarHBondContact O-N 3.08Å; W67-A69 VanDerWaalsContact C-N 3.3Å; W67-A69 PolarHBondContact O-N 3.45Å; W67-L70 HydrophobicContact CE3-CD1 4.16Å; W67-L70 PolarHBondContact O-N 3.39Å; W67-Q71 WeakPolarHBondContact O-CG 3.19Å; W67-Q71 PolarHBondContact O-N 2.74Å; W67-P78 PolarHBondContact NE1-O 3.48Å; W67-L80 HydrophobicContact CB-CB 4.48Å; W67-L80 HydrophobicContact CB-CD1 3.61Å; W67-L80 HydrophobicContact CD2-CB 4.33Å; W67-L80 HydrophobicContact CD2-CD1 3.28Å; W67-L80 HydrophobicContact CD2-CG 4.27Å; W67-L80 HydrophobicContact CE3-CD1 3.65Å; W67-L80 HydrophobicContact CG-CB 3.86Å; W67-L80 HydrophobicContact CG-CD1 3.27Å; W67-L80 HydrophobicContact CG-CG 4.14Å; W67-L80 HydrophobicContact CZ2-CD1 4.48Å; W67-L80 HydrophobicContact CZ3-CD1 4.38Å |
| 68 | S | 73.8 | Confident | 70.3 | Confident | 71 Ų | 71 | 97.7 Ų | 97.7 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | E64 E65 S72 | E64-S68 VanDerWaalsContact O-CB 3.28Å; E64-S68 WeakPolarHBondContact O-CB 3.36Å; E64-S68 PolarHBondContact O-N 3.25Å; E64-S68 PolarHBondContact O-OG 2.87Å; E65-S68 PolarHBondContact O-N 3.43Å; S68-S72 PolarHBondContact O-N 3.02Å |
| 69 | A | 78.8 | Confident | 70.1 | Confident | 50 Ų | 50 | 94.3 Ų | 94.3 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E65 E66 W67 Q71 S72 | E65-A69 PolarHBondContact O-N 3.33Å; E66-A69 PolarHBondContact O-N 3.42Å; W67-A69 VanDerWaalsContact C-N 3.3Å; W67-A69 PolarHBondContact O-N 3.45Å; A69-Q71 PolarHBondContact O-N 3.02Å; A69-S72 PolarHBondContact O-N 3.49Å; A69-S72 PolarHBondContact O-OG 3.16Å |
| 70 | L | 72.2 | Confident | 69.7 | Low | 88 Ų | 88 | 93 Ų | 93 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 177.8 | -70.4 | 169.2 | 0 | 0 | 0 | 113.2 | E66 W67 S72 D73 D74 L77 | E66-L70 WeakPolarHBondContact O-CG 3.27Å; E66-L70 PolarHBondContact O-N 3.01Å; W67-L70 HydrophobicContact CE3-CD1 4.16Å; W67-L70 PolarHBondContact O-N 3.39Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.25Å; L70-D73 PolarHBondContact O-N 3.06Å; L70-D74 PolarHBondContact O-N 3.24Å; L70-L77 HydrophobicContact CB-CD1 4.22Å |
| 71 | Q | 70.2 | Confident | 69.4 | Low | 52 Ų | 52 | 96.7 Ų | 96.7 | 24% | 0.243 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.7 | -29.9 | 175.2 | -74.4 | -169.8 | -35.3 | 0 | 0 | 113.4 | W67 A69 D73 D74 Q75 L77 P78 S79 | W67-Q71 WeakPolarHBondContact O-CG 3.19Å; W67-Q71 PolarHBondContact O-N 2.74Å; A69-Q71 PolarHBondContact O-N 3.02Å; Q71-D73 PolarHBondContact O-N 2.98Å; Q71-D74 CarbonylContact O-C 3.59Å; Q71-D74 VanDerWaalsContact O-C 3.23Å; Q71-D74 PolarHBondContact O-N 3.25Å; Q71-Q75 PolarHBondContact O-N 3.3Å; Q71-L77 HydrophobicContact CG-CB 3.99Å; Q71-L77 PolarHBondContact NE2-O 2.83Å; Q71-P78 PolarHBondContact NE2-O 3.38Å; Q71-S79 VanDerWaalsContact NE2-CA 3.28Å; Q71-S79 VanDerWaalsContact NE2-N 3.18Å |
| 72 | S | 65.1 | Low | 68.6 | Low | 87 Ų | 87 | 92.8 Ų | 92.8 | 61% | 0.608 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69 | -27.5 | 177.7 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | S68 A69 L70 | S68-S72 PolarHBondContact O-N 3.02Å; A69-S72 PolarHBondContact O-N 3.49Å; A69-S72 PolarHBondContact O-OG 3.16Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.25Å |
| 73 | D | 67.8 | Low | 67.6 | Low | 148 Ų | 148 | 94.4 Ų | 94.4 | 79% | 0.791 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -86.7 | -31.7 | 175 | -73.4 | -19.5 | 0 | 0 | 0 | 112.7 | L70 Q71 | L70-D73 PolarHBondContact O-N 3.06Å; Q71-D73 PolarHBondContact O-N 2.98Å |
| 74 | D | 61.8 | Low | 66.6 | Low | 77 Ų | 77 | 96.5 Ų | 96.5 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | trans | -133.3 | 99.2 | 174.6 | -170.4 | -4.8 | 0 | 0 | 0 | 112.1 | L70 Q71 R76 L77 | L70-D74 PolarHBondContact O-N 3.24Å; Q71-D74 CarbonylContact O-C 3.59Å; Q71-D74 VanDerWaalsContact O-C 3.23Å; Q71-D74 PolarHBondContact O-N 3.25Å; D74-R76 PolarHBondContact O-N 3.12Å; D74-R76 WeakPolarHBondContact OD1-CB 3.4Å; D74-R76 PolarHBondContact OD1-N 3Å; D74-R76 VanDerWaalsContact OD1-N 3.12Å; D74-L77 HydrophobicContact CB-CD1 3.98Å; D74-L77 HydrophobicContact CB-CG 4.15Å; D74-L77 PolarHBondContact O-N 3.15Å; D74-L77 VanDerWaalsContact O-N 3.16Å | ||
| 75 | Q | 63.4 | Low | 65.8 | Low | 186 Ų | 186 | 93 Ų | 93 | 87% | 0.869 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -7.7 | -177.8 | -67.4 | 177.9 | 9.9 | 0 | 0 | 114.1 | Q71 | Q71-Q75 PolarHBondContact O-N 3.3Š|
| 76 | R | 62.5 | Low | 64.9 | Low | 213 Ų | 213 | 90.1 Ų | 90.1 | 80% | 0.804 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -9.7 | 177.8 | -63.2 | -177.4 | 170.6 | 165.8 | -3.5 | 113.3 | D74 | D74-R76 PolarHBondContact O-N 3.12Å; D74-R76 WeakPolarHBondContact OD1-CB 3.4Å; D74-R76 PolarHBondContact OD1-N 3Å; D74-R76 VanDerWaalsContact OD1-N 3.12Å |
| 77 | L | 59.3 | Low | 63.9 | Low | 54 Ų | 54 | 87 Ų | 87 | 28% | 0.283 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -76 | 125.2 | -178.3 | -70.2 | 172.7 | 0 | 0 | 0 | 111.4 | L70 Q71 D74 | L70-L77 HydrophobicContact CB-CD1 4.22Å; Q71-L77 HydrophobicContact CG-CB 3.99Å; Q71-L77 PolarHBondContact NE2-O 2.83Å; D74-L77 HydrophobicContact CB-CD1 3.98Å; D74-L77 HydrophobicContact CB-CG 4.15Å; D74-L77 PolarHBondContact O-N 3.15Å; D74-L77 VanDerWaalsContact O-N 3.16Å |
| 78 | P | 65.9 | Low | 63.3 | Low | 32 Ų | 32 | 88.1 Ų | 88.1 | 21% | 0.208 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 152.6 | -179.8 | -19.6 | 30.7 | 0 | 0 | 0 | 113.2 | W67 Q71 L80 Q88 M89 | W67-P78 PolarHBondContact NE1-O 3.48Å; Q71-P78 PolarHBondContact NE2-O 3.38Å; P78-L80 PolarHBondContact O-N 3.28Å; P78-Q88 HydrophobicContact CB-CB 4.23Å; P78-M89 HydrophobicContact CG-CB 4.28Å |
| 79 | S | 64.6 | Low | 62.5 | Low | 40 Ų | 40 | 89.4 Ų | 89.4 | 28% | 0.28 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 131 | 173.8 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | Q71 W81 G85 | Q71-S79 VanDerWaalsContact NE2-CA 3.28Å; Q71-S79 VanDerWaalsContact NE2-N 3.18Å; S79-W81 PolarHBondContact O-N 2.94Å; S79-G85 VanDerWaalsContact O-CA 3.29Å; S79-G85 WeakPolarHBondContact O-CA 3.29Å; S79-G85 WeakPolarHBondContact OG-CA 3.14Å; S79-G85 PolarHBondContact OG-N 2.88Å |
| 80 | L | 61.4 | Low | 61.5 | Low | 61 Ų | 61 | 93.5 Ų | 93.5 | 32% | 0.319 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -66.9 | -31.2 | -171.4 | -150.8 | 139.6 | 0 | 0 | 0 | 114 | W67 P78 | W67-L80 HydrophobicContact CB-CB 4.48Å; W67-L80 HydrophobicContact CB-CD1 3.61Å; W67-L80 HydrophobicContact CD2-CB 4.33Å; W67-L80 HydrophobicContact CD2-CD1 3.28Å; W67-L80 HydrophobicContact CD2-CG 4.27Å; W67-L80 HydrophobicContact CE3-CD1 3.65Å; W67-L80 HydrophobicContact CG-CB 3.86Å; W67-L80 HydrophobicContact CG-CD1 3.27Å; W67-L80 HydrophobicContact CG-CG 4.14Å; W67-L80 HydrophobicContact CZ2-CD1 4.48Å; W67-L80 HydrophobicContact CZ3-CD1 4.38Å; P78-L80 PolarHBondContact O-N 3.28Å |
| 81 | W | 59.6 | Low | 60.9 | Low | 161 Ų | 161 | 92.9 Ų | 92.9 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -132.8 | 125.2 | -179.8 | -61.4 | 105 | 0 | 0 | 0 | 111.2 | S79 | S79-W81 PolarHBondContact O-N 2.94Š|
| 82 | G | 56.6 | Low | 60.3 | Low | 40 Ų | 40 | 94.1 Ų | 94.1 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | S | Bend | trans | 134.7 | 157.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H84 G85 V86 | G82-H84 PolarHBondContact O-N 3.01Å; G82-G85 PolarHBondContact O-N 3.05Å; G82-V86 WeakPolarHBondContact O-CG2 3.44Å |
| 83 | P | 56.3 | Low | 59.9 | Low | 110 Ų | 110 | 94.7 Ų | 94.7 | 71% | 0.714 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.7 | -16.7 | -178.2 | 19.6 | -28.8 | 0 | 0 | 0 | 114.2 | ||
| 84 | H | 54.1 | Low | 59.4 | Low | 141 Ų | 141 | 96.4 Ų | 96.4 | 65% | 0.653 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -83.9 | -25.9 | 175.2 | -73.5 | 41.6 | 0 | 0 | 0 | 113.3 | G82 A87 Q88 | G82-H84 PolarHBondContact O-N 3.01Å; H84-A87 PolarHBondContact O-N 3.45Å; H84-Q88 PolarHBondContact O-N 3.43Å |
| 85 | G | 58.3 | Low | 59.1 | Low | 5 Ų | 5 | 100.7 Ų | 100.7 | 5% | 0.052 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -70.8 | -44.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S79 G82 A87 Q88 M89 | S79-G85 VanDerWaalsContact O-CA 3.29Å; S79-G85 WeakPolarHBondContact O-CA 3.29Å; S79-G85 WeakPolarHBondContact OG-CA 3.14Å; S79-G85 PolarHBondContact OG-N 2.88Å; G82-G85 PolarHBondContact O-N 3.05Å; G85-A87 VanDerWaalsContact C-N 3.35Å; G85-Q88 PolarHBondContact O-N 3.07Å; G85-M89 WeakPolarHBondContact O-CB 3.35Å; G85-M89 PolarHBondContact O-N 3.46Å |
| 86 | V | 57.7 | Low | 58.9 | Low | 77 Ų | 77 | 100.3 Ų | 100.3 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 171.1 | -104 | 0 | 0 | 0 | 0 | 110.9 | G82 Q88 M89 F90 | G82-V86 WeakPolarHBondContact O-CG2 3.44Å; V86-Q88 PolarHBondContact O-N 3.19Å; V86-M89 PolarHBondContact O-N 3.19Å; V86-F90 HydrophobicContact CB-CD2 4.5Å; V86-F90 HydrophobicContact CB-CE2 4.46Å; V86-F90 HydrophobicContact CG1-CE2 4.45Å; V86-F90 WeakPolarHBondContact O-CD2 3.5Å; V86-F90 PolarHBondContact O-N 3.35Å |
| 87 | A | 59.7 | Low | 59.6 | Low | 60 Ų | 60 | 94.8 Ų | 94.8 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H84 G85 S91 | H84-A87 PolarHBondContact O-N 3.45Å; G85-A87 VanDerWaalsContact C-N 3.35Å; A87-S91 PolarHBondContact O-N 3.38Å |
| 88 | Q | 59.6 | Low | 60.5 | Low | 97 Ų | 97 | 98 Ų | 98 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.2 | -38.7 | 174.5 | -78.9 | 178.1 | 24.1 | 0 | 0 | 112.5 | P78 H84 G85 V86 F90 S91 V92 | P78-Q88 HydrophobicContact CB-CB 4.23Å; H84-Q88 PolarHBondContact O-N 3.43Å; G85-Q88 PolarHBondContact O-N 3.07Å; V86-Q88 PolarHBondContact O-N 3.19Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 2.89Å; Q88-S91 CarbonylContact O-C 3.57Å; Q88-S91 WeakPolarHBondContact O-CA 3.33Å; Q88-S91 WeakPolarHBondContact O-CB 3.5Å; Q88-S91 PolarHBondContact O-N 3.03Å; Q88-V92 WeakPolarHBondContact O-CG2 3.45Å; Q88-V92 PolarHBondContact O-N 2.92Å |
| 89 | M | 57.8 | Low | 61.2 | Low | 99 Ų | 99 | 102.8 Ų | 102.8 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 172.3 | -178.7 | -172.5 | 153.6 | 0 | 0 | 111.3 | P78 G85 V86 S91 V92 M93 | P78-M89 HydrophobicContact CG-CB 4.28Å; G85-M89 WeakPolarHBondContact O-CB 3.35Å; G85-M89 PolarHBondContact O-N 3.46Å; V86-M89 PolarHBondContact O-N 3.19Å; M89-S91 VanDerWaalsContact C-N 3.26Å; M89-S91 PolarHBondContact O-N 2.99Å; M89-V92 PolarHBondContact O-N 3.34Å; M89-M93 HydrophobicContact CE-SD 4.11Å; M89-M93 WeakPolarHBondContact O-CB 3.02Å; M89-M93 PolarHBondContact O-N 3.39Å |
| 90 | F | 57.7 | Low | 62.3 | Low | 136 Ų | 136 | 103 Ų | 103 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -29.5 | 172.2 | -79.9 | -66.9 | 0 | 0 | 0 | 112.9 | V86 Q88 K94 | V86-F90 HydrophobicContact CB-CD2 4.5Å; V86-F90 HydrophobicContact CB-CE2 4.46Å; V86-F90 HydrophobicContact CG1-CE2 4.45Å; V86-F90 WeakPolarHBondContact O-CD2 3.5Å; V86-F90 PolarHBondContact O-N 3.35Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 2.89Å; F90-K94 WeakPolarHBondContact O-CB 3.31Å; F90-K94 PolarHBondContact O-N 2.98Å |
| 91 | S | 59.4 | Low | 63.6 | Low | 74 Ų | 74 | 103.6 Ų | 103.6 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.3 | -39.1 | 175.8 | -168.6 | 0 | 0 | 0 | 0 | 112.7 | A87 Q88 M89 K94 E95 | A87-S91 PolarHBondContact O-N 3.38Å; Q88-S91 CarbonylContact O-C 3.57Å; Q88-S91 WeakPolarHBondContact O-CA 3.33Å; Q88-S91 WeakPolarHBondContact O-CB 3.5Å; Q88-S91 PolarHBondContact O-N 3.03Å; M89-S91 VanDerWaalsContact C-N 3.26Å; M89-S91 PolarHBondContact O-N 2.99Å; S91-K94 WeakPolarHBondContact O-CB 3.33Å; S91-K94 PolarHBondContact O-N 3Å; S91-E95 PolarHBondContact O-N 3.48Å |
| 92 | V | 56.8 | Low | 65.1 | Low | 79 Ų | 79 | 100.2 Ų | 100.2 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71 | -40.3 | 176.5 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | Q88 M89 K94 E95 Y96 | Q88-V92 WeakPolarHBondContact O-CG2 3.45Å; Q88-V92 PolarHBondContact O-N 2.92Å; M89-V92 PolarHBondContact O-N 3.34Å; V92-K94 PolarHBondContact O-N 2.91Å; V92-E95 PolarHBondContact O-N 3.47Å; V92-E95 VanDerWaalsContact O-N 3.07Å; V92-Y96 PolarHBondContact O-N 3.26Å |
| 93 | M | 56.5 | Low | 66.8 | Low | 99 Ų | 99 | 104.2 Ų | 104.2 | 49% | 0.488 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.3 | 169.1 | -85.3 | 177.9 | 66 | 0 | 0 | 113.5 | M89 | M89-M93 HydrophobicContact CE-SD 4.11Å; M89-M93 WeakPolarHBondContact O-CB 3.02Å; M89-M93 PolarHBondContact O-N 3.39Å |
| 94 | K | 57.5 | Low | 68.7 | Low | 183 Ų | 183 | 105.6 Ų | 105.6 | 80% | 0.796 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -17.4 | 176 | -158.8 | 176.2 | -178.7 | -178.4 | 0 | 112.6 | F90 S91 V92 | F90-K94 WeakPolarHBondContact O-CB 3.31Å; F90-K94 PolarHBondContact O-N 2.98Å; S91-K94 WeakPolarHBondContact O-CB 3.33Å; S91-K94 PolarHBondContact O-N 3Å; V92-K94 PolarHBondContact O-N 2.91Å |
| 95 | E | 55.5 | Low | 70.6 | Confident | 167 Ų | 167 | 102.8 Ų | 102.8 | 78% | 0.78 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -24.3 | -178.2 | -149.7 | 171.3 | -158.6 | 0 | 0 | 112 | S91 V92 | S91-E95 PolarHBondContact O-N 3.48Å; V92-E95 PolarHBondContact O-N 3.47Å; V92-E95 VanDerWaalsContact O-N 3.07Å |
| 96 | Y | 60.9 | Low | 72.5 | Confident | 179 Ų | 179 | 107.6 Ų | 107.6 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -111.6 | 99.3 | 164.4 | -102.3 | -99.7 | 0 | 0 | 0 | 108.9 | V92 E98 | V92-Y96 PolarHBondContact O-N 3.26Å; Y96-E98 PolarHBondContact O-N 3.02Å |
| 97 | D | 76 | Confident | 74.4 | Confident | 96 Ų | 96 | 109.1 Ų | 109.1 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | trans | -74.4 | 76.9 | 172.2 | -168.4 | -0.7 | 0 | 0 | 0 | 109.5 | L99 A100 V101 | D97-L99 PolarHBondContact O-N 3.16Å; D97-L99 VanDerWaalsContact O-N 3.16Å; D97-L99 WeakPolarHBondContact OD1-CB 3.42Å; D97-L99 PolarHBondContact OD1-N 3.21Å; D97-A100 HydrophobicContact CB-CB 3.95Å; D97-A100 WeakPolarHBondContact O-CB 3.48Å; D97-A100 PolarHBondContact O-N 2.84Å; D97-A100 PolarHBondContact OD1-N 2.96Å; D97-A100 WeakPolarHBondContact OD2-CB 3.29Å; D97-V101 PolarHBondContact O-N 3.07Å | ||
| 98 | E | 78.8 | Confident | 76.2 | Confident | 121 Ų | 121 | 111.4 Ų | 111.4 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -54.7 | -29.9 | 178.3 | -65.8 | 179.7 | 167.4 | 0 | 0 | 111.7 | Y96 V101 L102 | Y96-E98 PolarHBondContact O-N 3.02Å; E98-V101 PolarHBondContact O-N 3.47Å; E98-L102 VanDerWaalsContact O-CG 3.29Å; E98-L102 WeakPolarHBondContact O-CG 3.33Å; E98-L102 PolarHBondContact O-N 3.12Å |
| 99 | L | 81 | Confident | 78 | Confident | 133 Ų | 133 | 111.2 Ų | 111.2 | 70% | 0.696 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69 | -40.2 | 176.4 | -64.7 | 173.5 | 0 | 0 | 0 | 111.7 | D97 V101 L102 E103 | D97-L99 PolarHBondContact O-N 3.16Å; D97-L99 VanDerWaalsContact O-N 3.16Å; D97-L99 WeakPolarHBondContact OD1-CB 3.42Å; D97-L99 PolarHBondContact OD1-N 3.21Å; L99-V101 VanDerWaalsContact C-N 3.35Å; L99-L102 PolarHBondContact O-N 3.07Å; L99-E103 WeakPolarHBondContact O-CB 3.45Å; L99-E103 PolarHBondContact O-N 3.33Å |
| 100 | A | 87.3 | Confident | 79.9 | Confident | 46 Ų | 46 | 110.7 Ų | 110.7 | 38% | 0.38 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D97 E103 E104 | D97-A100 HydrophobicContact CB-CB 3.95Å; D97-A100 WeakPolarHBondContact O-CB 3.48Å; D97-A100 PolarHBondContact O-N 2.84Å; D97-A100 PolarHBondContact OD1-N 2.96Å; D97-A100 WeakPolarHBondContact OD2-CB 3.29Å; A100-E103 PolarHBondContact O-N 3.33Å; A100-E104 PolarHBondContact O-N 3.26Å |
| 101 | V | 88.8 | Confident | 81.9 | Confident | 73 Ų | 73 | 107.1 Ų | 107.1 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | D97 E98 L99 E103 E104 I105 | D97-V101 PolarHBondContact O-N 3.07Å; E98-V101 PolarHBondContact O-N 3.47Å; L99-V101 VanDerWaalsContact C-N 3.35Å; V101-E103 VanDerWaalsContact C-N 3.35Å; V101-E104 PolarHBondContact O-N 3.47Å; V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 VanDerWaalsContact O-CG1 3.31Å; V101-I105 WeakPolarHBondContact O-CG1 3.42Å; V101-I105 PolarHBondContact O-N 3.37Å; V101-I105 VanDerWaalsContact O-N 3.07Å |
| 102 | L | 89.8 | Confident | 83.7 | Confident | 90 Ų | 90 | 108 Ų | 108 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 175.8 | -71 | 171.9 | 0 | 0 | 0 | 111.5 | E98 L99 E104 I105 H106 | E98-L102 VanDerWaalsContact O-CG 3.29Å; E98-L102 WeakPolarHBondContact O-CG 3.33Å; E98-L102 PolarHBondContact O-N 3.12Å; L99-L102 PolarHBondContact O-N 3.07Å; L102-E104 PolarHBondContact O-N 3.39Å; L102-I105 PolarHBondContact O-N 3.29Å; L102-H106 WeakPolarHBondContact O-CB 3.42Å; L102-H106 PolarHBondContact O-CD2 3.37Å; L102-H106 PolarHBondContact O-N 2.93Å |
| 103 | E | 93.6 | Very high | 85.7 | Confident | 123 Ų | 123 | 110.1 Ų | 110.1 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.2 | -41.5 | 176.7 | -171.6 | 63.4 | -158.3 | 0 | 0 | 111.8 | L99 A100 V101 H106 Q107 | L99-E103 WeakPolarHBondContact O-CB 3.45Å; L99-E103 PolarHBondContact O-N 3.33Å; A100-E103 PolarHBondContact O-N 3.33Å; V101-E103 VanDerWaalsContact C-N 3.35Å; E103-H106 PolarHBondContact O-N 2.94Å; E103-Q107 WeakPolarHBondContact O-CB 3.32Å; E103-Q107 PolarHBondContact O-N 3Å |
| 104 | E | 95.3 | Very high | 87.6 | Confident | 140 Ų | 140 | 110.8 Ų | 110.8 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | 175 | -174.8 | 178.2 | -176.7 | 0 | 0 | 111.6 | A100 V101 L102 H106 Q107 E108 | A100-E104 PolarHBondContact O-N 3.26Å; V101-E104 PolarHBondContact O-N 3.47Å; L102-E104 PolarHBondContact O-N 3.39Å; E104-H106 VanDerWaalsContact C-N 3.35Å; E104-H106 PolarHBondContact O-N 3.5Å; E104-Q107 PolarHBondContact O-N 2.99Å; E104-E108 PolarHBondContact O-N 3.5Å |
| 105 | I | 95.4 | Very high | 89.6 | Confident | 82 Ų | 82 | 105.2 Ų | 105.2 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.6 | -66.4 | 166 | 0 | 0 | 0 | 110.7 | V101 L102 Q107 E108 L109 | V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 VanDerWaalsContact O-CG1 3.31Å; V101-I105 WeakPolarHBondContact O-CG1 3.42Å; V101-I105 PolarHBondContact O-N 3.37Å; V101-I105 VanDerWaalsContact O-N 3.07Å; L102-I105 PolarHBondContact O-N 3.29Å; I105-Q107 VanDerWaalsContact C-N 3.33Å; I105-Q107 PolarHBondContact O-N 3.42Å; I105-E108 PolarHBondContact O-N 2.86Å; I105-L109 HydrophobicContact CG2-CD1 4.08Å; I105-L109 HydrophobicContact CG2-CG 4.48Å; I105-L109 WeakPolarHBondContact O-CG 3.5Å; I105-L109 PolarHBondContact O-N 3.05Å |
| 106 | H | 96.5 | Very high | 91.6 | Very high | 106 Ų | 106 | 102.7 Ų | 102.7 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.6 | -84.6 | -66.4 | 0 | 0 | 0 | 111.6 | L102 E103 E104 L109 I110 | L102-H106 WeakPolarHBondContact O-CB 3.42Å; L102-H106 PolarHBondContact O-CD2 3.37Å; L102-H106 PolarHBondContact O-N 2.93Å; E103-H106 PolarHBondContact O-N 2.94Å; E104-H106 VanDerWaalsContact C-N 3.35Å; E104-H106 PolarHBondContact O-N 3.5Å; H106-L109 PolarHBondContact O-N 3.37Å; H106-I110 VanDerWaalsContact O-CG1 3.3Å; H106-I110 WeakPolarHBondContact O-CG1 3.49Å; H106-I110 PolarHBondContact O-N 2.95Å |
| 107 | Q | 97.7 | Very high | 93.4 | Very high | 108 Ų | 108 | 97.6 Ų | 97.6 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 178.7 | -171.5 | 57.4 | 76.7 | 0 | 0 | 112.2 | E103 E104 I105 S111 | E103-Q107 WeakPolarHBondContact O-CB 3.32Å; E103-Q107 PolarHBondContact O-N 3Å; E104-Q107 PolarHBondContact O-N 2.99Å; I105-Q107 VanDerWaalsContact C-N 3.33Å; I105-Q107 PolarHBondContact O-N 3.42Å; Q107-S111 WeakPolarHBondContact O-CB 3.45Å; Q107-S111 PolarHBondContact O-N 2.92Å |
| 108 | E | 97.8 | Very high | 94.4 | Very high | 108 Ų | 108 | 96.6 Ų | 96.6 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 173.6 | -170.5 | -177.4 | 165.9 | 0 | 0 | 111 | E104 I105 I110 S111 Q112 | E104-E108 PolarHBondContact O-N 3.5Å; I105-E108 PolarHBondContact O-N 2.86Å; E108-I110 PolarHBondContact O-N 3.21Å; E108-S111 WeakPolarHBondContact O-CB 3.47Å; E108-S111 PolarHBondContact O-N 3.44Å; E108-S111 VanDerWaalsContact O-N 3.09Å; E108-S111 PolarHBondContact O-OG 2.98Å; E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 3.09Å; E108-Q112 PolarHBondContact OE1-NE2 3.48Å; E108-Q112 VanDerWaalsContact OE1-NE2 3.12Å |
| 109 | L | 98.2 | Very high | 95.3 | Very high | 94 Ų | 94 | 96.5 Ų | 96.5 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 178.5 | -73 | 170.4 | 0 | 0 | 0 | 112.2 | I105 H106 S111 Q112 E113 | I105-L109 HydrophobicContact CG2-CD1 4.08Å; I105-L109 HydrophobicContact CG2-CG 4.48Å; I105-L109 WeakPolarHBondContact O-CG 3.5Å; I105-L109 PolarHBondContact O-N 3.05Å; H106-L109 PolarHBondContact O-N 3.37Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.25Å; L109-Q112 PolarHBondContact O-N 3.42Å; L109-E113 PolarHBondContact O-N 3.33Å |
| 110 | I | 98.1 | Very high | 96.1 | Very high | 87 Ų | 87 | 97.5 Ų | 97.5 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 175.6 | -67.8 | 165.5 | 0 | 0 | 0 | 110.3 | H106 E108 Q112 E113 M114 | H106-I110 VanDerWaalsContact O-CG1 3.3Å; H106-I110 WeakPolarHBondContact O-CG1 3.49Å; H106-I110 PolarHBondContact O-N 2.95Å; E108-I110 PolarHBondContact O-N 3.21Å; I110-Q112 VanDerWaalsContact C-N 3.32Å; I110-Q112 PolarHBondContact O-N 3.01Å; I110-E113 PolarHBondContact O-N 3.01Å; I110-M114 HydrophobicContact CG2-CG 4.41Å; I110-M114 WeakPolarHBondContact O-CB 3.37Å; I110-M114 VanDerWaalsContact O-CG 3.31Å; I110-M114 WeakPolarHBondContact O-CG 3.3Å; I110-M114 PolarHBondContact O-N 2.78Å |
| 111 | S | 98.1 | Very high | 96.7 | Very high | 62 Ų | 62 | 100.3 Ų | 100.3 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -38 | 178.8 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | Q107 E108 L109 S115 | Q107-S111 WeakPolarHBondContact O-CB 3.45Å; Q107-S111 PolarHBondContact O-N 2.92Å; E108-S111 WeakPolarHBondContact O-CB 3.47Å; E108-S111 PolarHBondContact O-N 3.44Å; E108-S111 VanDerWaalsContact O-N 3.09Å; E108-S111 PolarHBondContact O-OG 2.98Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.25Å; S111-S115 WeakPolarHBondContact O-CB 3.48Å; S111-S115 PolarHBondContact O-N 2.64Å |
| 112 | Q | 97.9 | Very high | 97.1 | Very high | 93 Ų | 93 | 101.8 Ų | 101.8 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 176.4 | -70.6 | 179.2 | 4.3 | 0 | 0 | 111.2 | E108 L109 I110 M114 S115 I116 | E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 3.09Å; E108-Q112 PolarHBondContact OE1-NE2 3.48Å; E108-Q112 VanDerWaalsContact OE1-NE2 3.12Å; L109-Q112 PolarHBondContact O-N 3.42Å; I110-Q112 VanDerWaalsContact C-N 3.32Å; I110-Q112 PolarHBondContact O-N 3.01Å; Q112-M114 PolarHBondContact O-N 3.41Å; Q112-S115 WeakPolarHBondContact O-CB 3.42Å; Q112-S115 PolarHBondContact O-N 3.35Å; Q112-I116 WeakPolarHBondContact O-CG1 3.49Å; Q112-I116 PolarHBondContact O-N 2.88Å |
| 113 | E | 98.1 | Very high | 97.5 | Very high | 122 Ų | 122 | 101.3 Ų | 101.3 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.5 | -46.9 | 176.3 | -174.1 | 174.3 | -171.6 | 0 | 0 | 111.3 | L109 I110 S115 I116 I117 | L109-E113 PolarHBondContact O-N 3.33Å; I110-E113 PolarHBondContact O-N 3.01Å; E113-S115 VanDerWaalsContact C-N 3.31Å; E113-S115 PolarHBondContact O-N 3.04Å; E113-I116 PolarHBondContact O-N 2.92Å; E113-I117 HydrophobicContact CG-CD1 4.16Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.39Å |
| 114 | M | 98.1 | Very high | 97.7 | Very high | 113 Ų | 113 | 99.3 Ų | 99.3 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | 176 | -73.4 | -58.6 | -47.7 | 0 | 0 | 112.5 | I110 Q112 I117 D118 | I110-M114 HydrophobicContact CG2-CG 4.41Å; I110-M114 WeakPolarHBondContact O-CB 3.37Å; I110-M114 VanDerWaalsContact O-CG 3.31Å; I110-M114 WeakPolarHBondContact O-CG 3.3Å; I110-M114 PolarHBondContact O-N 2.78Å; Q112-M114 PolarHBondContact O-N 3.41Å; M114-I117 PolarHBondContact O-N 3.19Å; M114-D118 WeakPolarHBondContact O-CB 3.45Å; M114-D118 PolarHBondContact O-N 3.42Å |
| 115 | S | 98.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 97.6 Ų | 97.6 | 47% | 0.469 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | S111 Q112 E113 E119 | S111-S115 WeakPolarHBondContact O-CB 3.48Å; S111-S115 PolarHBondContact O-N 2.64Å; Q112-S115 WeakPolarHBondContact O-CB 3.42Å; Q112-S115 PolarHBondContact O-N 3.35Å; E113-S115 VanDerWaalsContact C-N 3.31Å; E113-S115 PolarHBondContact O-N 3.04Å; S115-E119 WeakPolarHBondContact O-CB 3.38Å; S115-E119 PolarHBondContact O-N 3.41Å |
| 116 | I | 98 | Very high | 97.9 | Very high | 114 Ų | 114 | 99.7 Ų | 99.7 | 59% | 0.585 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -44.3 | 177.1 | -68.5 | 164.3 | 0 | 0 | 0 | 110.1 | Q112 E113 E119 Y120 | Q112-I116 WeakPolarHBondContact O-CG1 3.49Å; Q112-I116 PolarHBondContact O-N 2.88Å; E113-I116 PolarHBondContact O-N 2.92Å; I116-E119 PolarHBondContact O-N 3.03Å; I116-Y120 WeakPolarHBondContact O-CB 3.48Å; I116-Y120 PolarHBondContact O-N 3.03Å |
| 117 | I | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 99.6 Ų | 99.6 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 177.8 | -65.9 | 167.3 | 0 | 0 | 0 | 110.4 | E113 M114 E119 Y120 E121 | E113-I117 HydrophobicContact CG-CD1 4.16Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.39Å; M114-I117 PolarHBondContact O-N 3.19Å; I117-E119 VanDerWaalsContact C-N 3.35Å; I117-E119 PolarHBondContact O-N 2.88Å; I117-Y120 WeakPolarHBondContact O-CB 3.44Å; I117-Y120 PolarHBondContact O-N 3.19Å; I117-E121 HydrophobicContact CG2-CG 4.37Å; I117-E121 WeakPolarHBondContact O-CG 3.31Å; I117-E121 PolarHBondContact O-N 3.01Å |
| 118 | D | 98.3 | Very high | 97.7 | Very high | 75 Ų | 75 | 100.8 Ų | 100.8 | 40% | 0.401 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 179.1 | 178.4 | 72.9 | 0 | 0 | 0 | 112.5 | M114 E121 R122 | M114-D118 WeakPolarHBondContact O-CB 3.45Å; M114-D118 PolarHBondContact O-N 3.42Å; D118-E121 PolarHBondContact O-N 2.96Å; D118-R122 WeakPolarHBondContact O-CB 3.05Å; D118-R122 WeakPolarHBondContact O-CG 3.42Å; D118-R122 PolarHBondContact O-N 3.33Å; D118-R122 PolarHBondContact O-NE 3.16Å; D118-R122 IonicContact OD2-CZ 3.24Å; D118-R122 VanDerWaalsContact OD2-CZ 3.23Å; D118-R122 IonicContact OD2-NE 2.78Å; D118-R122 PolarHBondContact OD2-NE 3Å; D118-R122 IonicContact OD2-NH2 3.23Å; D118-R122 PolarHBondContact OD2-NH2 3.26Å |
| 119 | E | 97.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 174 | -174.3 | 179.5 | 177.5 | 0 | 0 | 112.1 | S115 I116 I117 R122 N123 | S115-E119 WeakPolarHBondContact O-CB 3.38Å; S115-E119 PolarHBondContact O-N 3.41Å; I116-E119 PolarHBondContact O-N 3.03Å; I117-E119 VanDerWaalsContact C-N 3.35Å; I117-E119 PolarHBondContact O-N 2.88Å; E119-R122 PolarHBondContact O-N 2.97Å; E119-N123 PolarHBondContact O-N 3.41Å |
| 120 | Y | 98 | Very high | 97.3 | Very high | 154 Ų | 154 | 104.5 Ų | 104.5 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -46.1 | 176.9 | 179.2 | -95.2 | 0 | 0 | 0 | 111.8 | I116 I117 R122 N123 L124 | I116-Y120 WeakPolarHBondContact O-CB 3.48Å; I116-Y120 PolarHBondContact O-N 3.03Å; I117-Y120 WeakPolarHBondContact O-CB 3.44Å; I117-Y120 PolarHBondContact O-N 3.19Å; Y120-R122 VanDerWaalsContact C-N 3.35Å; Y120-R122 PolarHBondContact O-N 3.38Å; Y120-N123 PolarHBondContact O-N 3.48Å; Y120-L124 PolarHBondContact O-N 2.8Å |
| 121 | E | 98.1 | Very high | 97 | Very high | 105 Ų | 105 | 105.4 Ų | 105.4 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.7 | -73.1 | -176.9 | 175.6 | 0 | 0 | 111.8 | I117 D118 L124 Q125 | I117-E121 HydrophobicContact CG2-CG 4.37Å; I117-E121 WeakPolarHBondContact O-CG 3.31Å; I117-E121 PolarHBondContact O-N 3.01Å; D118-E121 PolarHBondContact O-N 2.96Å; E121-L124 PolarHBondContact O-N 3.37Å; E121-Q125 VanDerWaalsContact O-CG 3.3Å; E121-Q125 WeakPolarHBondContact O-CG 3.38Å; E121-Q125 PolarHBondContact O-N 2.92Å |
| 122 | R | 97.9 | Very high | 96.6 | Very high | 105 Ų | 105 | 105 Ų | 105 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 172.8 | -79.2 | -174.1 | -81.3 | 107.2 | -3.2 | 111.9 | D118 E119 Y120 L124 Q125 F126 | D118-R122 WeakPolarHBondContact O-CB 3.05Å; D118-R122 WeakPolarHBondContact O-CG 3.42Å; D118-R122 PolarHBondContact O-N 3.33Å; D118-R122 PolarHBondContact O-NE 3.16Å; D118-R122 IonicContact OD2-CZ 3.24Å; D118-R122 VanDerWaalsContact OD2-CZ 3.23Å; D118-R122 IonicContact OD2-NE 2.78Å; D118-R122 PolarHBondContact OD2-NE 3Å; D118-R122 IonicContact OD2-NH2 3.23Å; D118-R122 PolarHBondContact OD2-NH2 3.26Å; E119-R122 PolarHBondContact O-N 2.97Å; Y120-R122 VanDerWaalsContact C-N 3.35Å; Y120-R122 PolarHBondContact O-N 3.38Å; R122-L124 VanDerWaalsContact C-N 3.34Å; R122-L124 PolarHBondContact O-N 3.48Å; R122-Q125 PolarHBondContact O-N 2.86Å; R122-F126 HydrophobicContact CB-CE2 4.42Å; R122-F126 WeakPolarHBondContact O-CD2 3.5Å; R122-F126 PolarHBondContact O-N 3.4Å |
| 123 | N | 97.8 | Very high | 96.1 | Very high | 79 Ų | 79 | 103.6 Ų | 103.6 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.9 | -170.1 | 60.2 | 0 | 0 | 0 | 111.7 | E119 Y120 Q125 F126 E127 | E119-N123 PolarHBondContact O-N 3.41Å; Y120-N123 PolarHBondContact O-N 3.48Å; N123-Q125 VanDerWaalsContact C-N 3.31Å; N123-Q125 PolarHBondContact O-N 3.47Å; N123-F126 PolarHBondContact O-N 2.97Å; N123-F126 VanDerWaalsContact O-N 3.16Å; N123-E127 PolarHBondContact ND2-OE1 3.47Å; N123-E127 WeakPolarHBondContact O-CG 3.4Å; N123-E127 PolarHBondContact O-N 3.47Å |
| 124 | L | 97.9 | Very high | 95.5 | Very high | 82 Ų | 82 | 101.1 Ų | 101.1 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.7 | -164.4 | 90.9 | 0 | 0 | 0 | 111.6 | Y120 E121 R122 E127 Q128 | Y120-L124 PolarHBondContact O-N 2.8Å; E121-L124 PolarHBondContact O-N 3.37Å; R122-L124 VanDerWaalsContact C-N 3.34Å; R122-L124 PolarHBondContact O-N 3.48Å; L124-E127 PolarHBondContact O-N 2.95Å; L124-Q128 WeakPolarHBondContact O-CB 3.38Å; L124-Q128 PolarHBondContact O-N 2.93Å |
| 125 | Q | 97.4 | Very high | 94.7 | Very high | 104 Ų | 104 | 99.9 Ų | 99.9 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 175.8 | -72.1 | 172.5 | 19 | 0 | 0 | 111.8 | E121 R122 N123 Q128 Q129 | E121-Q125 VanDerWaalsContact O-CG 3.3Å; E121-Q125 WeakPolarHBondContact O-CG 3.38Å; E121-Q125 PolarHBondContact O-N 2.92Å; R122-Q125 PolarHBondContact O-N 2.86Å; N123-Q125 VanDerWaalsContact C-N 3.31Å; N123-Q125 PolarHBondContact O-N 3.47Å; Q125-Q128 PolarHBondContact O-N 3.41Å; Q125-Q129 WeakPolarHBondContact O-CB 3.2Å; Q125-Q129 VanDerWaalsContact O-CG 3.24Å; Q125-Q129 WeakPolarHBondContact O-CG 3.41Å; Q125-Q129 PolarHBondContact O-N 3.22Å |
| 126 | F | 97.1 | Very high | 93.8 | Very high | 126 Ų | 126 | 102.8 Ų | 102.8 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 175.5 | -73.5 | -57.6 | 0 | 0 | 0 | 112.4 | R122 N123 Q128 Q129 Y130 | R122-F126 HydrophobicContact CB-CE2 4.42Å; R122-F126 WeakPolarHBondContact O-CD2 3.5Å; R122-F126 PolarHBondContact O-N 3.4Å; N123-F126 PolarHBondContact O-N 2.97Å; N123-F126 VanDerWaalsContact O-N 3.16Å; F126-Q128 VanDerWaalsContact C-N 3.33Å; F126-Q128 PolarHBondContact O-N 3.36Å; F126-Q129 PolarHBondContact O-N 2.9Å; F126-Y130 WeakPolarHBondContact O-CB 3.42Å; F126-Y130 PolarHBondContact O-N 3.2Å |
| 127 | E | 96.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.8 | -73.1 | 179.7 | -171.4 | 0 | 0 | 111.4 | N123 L124 Y130 I131 | N123-E127 PolarHBondContact ND2-OE1 3.47Å; N123-E127 WeakPolarHBondContact O-CG 3.4Å; N123-E127 PolarHBondContact O-N 3.47Å; L124-E127 PolarHBondContact O-N 2.95Å; E127-Y130 PolarHBondContact O-N 3.38Å; E127-I131 WeakPolarHBondContact O-CG1 3.4Å; E127-I131 PolarHBondContact O-N 3.32Å |
| 128 | Q | 95.3 | Very high | 90.9 | Very high | 133 Ų | 133 | 103.5 Ų | 103.5 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -44.6 | 176.6 | -175.7 | 174.9 | 10.3 | 0 | 0 | 111.9 | L124 Q125 F126 Y130 I131 S132 | L124-Q128 WeakPolarHBondContact O-CB 3.38Å; L124-Q128 PolarHBondContact O-N 2.93Å; Q125-Q128 PolarHBondContact O-N 3.41Å; F126-Q128 VanDerWaalsContact C-N 3.33Å; F126-Q128 PolarHBondContact O-N 3.36Å; Q128-Y130 VanDerWaalsContact C-N 3.33Å; Q128-Y130 PolarHBondContact O-N 3.23Å; Q128-I131 PolarHBondContact O-N 2.88Å; Q128-S132 WeakPolarHBondContact O-CB 3.3Å; Q128-S132 PolarHBondContact O-N 2.85Å |
| 129 | Q | 93.6 | Very high | 89 | Confident | 117 Ų | 117 | 107.4 Ų | 107.4 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.3 | -75.5 | 173.2 | 4.1 | 0 | 0 | 111.6 | Q125 F126 S132 S133 | Q125-Q129 WeakPolarHBondContact O-CB 3.2Å; Q125-Q129 VanDerWaalsContact O-CG 3.24Å; Q125-Q129 WeakPolarHBondContact O-CG 3.41Å; Q125-Q129 PolarHBondContact O-N 3.22Å; F126-Q129 PolarHBondContact O-N 2.9Å; Q129-S132 PolarHBondContact O-N 3.02Å; Q129-S133 WeakPolarHBondContact O-CB 3.32Å; Q129-S133 PolarHBondContact O-N 2.71Å; Q129-S133 PolarHBondContact O-OG 2.93Å |
| 130 | Y | 93.1 | Very high | 87.5 | Confident | 164 Ų | 164 | 108.2 Ų | 108.2 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.5 | -51.1 | 174.9 | 174.7 | -100.8 | 0 | 0 | 0 | 111 | F126 E127 Q128 S132 S133 V134 | F126-Y130 WeakPolarHBondContact O-CB 3.42Å; F126-Y130 PolarHBondContact O-N 3.2Å; E127-Y130 PolarHBondContact O-N 3.38Å; Q128-Y130 VanDerWaalsContact C-N 3.33Å; Q128-Y130 PolarHBondContact O-N 3.23Å; Y130-S132 VanDerWaalsContact C-N 3.35Å; Y130-S132 PolarHBondContact O-N 3.43Å; Y130-S133 PolarHBondContact O-N 3.5Å; Y130-S133 PolarHBondContact O-OG 2.89Å; Y130-V134 HydrophobicContact CE1-CG2 4.16Å; Y130-V134 HydrophobicContact CE2-CG2 4.2Å; Y130-V134 WeakPolarHBondContact O-CG2 3.42Å; Y130-V134 PolarHBondContact O-N 3.41Å |
| 131 | I | 92.4 | Very high | 86 | Confident | 105 Ų | 105 | 108.8 Ų | 108.8 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.2 | -46.3 | 177.1 | -67 | 167.5 | 0 | 0 | 0 | 110.7 | E127 Q128 S133 V134 V135 | E127-I131 WeakPolarHBondContact O-CG1 3.4Å; E127-I131 PolarHBondContact O-N 3.32Å; Q128-I131 PolarHBondContact O-N 2.88Å; I131-S133 VanDerWaalsContact C-N 3.33Å; I131-S133 PolarHBondContact O-N 3.36Å; I131-V134 PolarHBondContact O-N 3Å; I131-V135 HydrophobicContact CG2-CG2 4.3Å; I131-V135 VanDerWaalsContact O-CG2 3.32Å; I131-V135 WeakPolarHBondContact O-CG2 3.24Å; I131-V135 PolarHBondContact O-N 3.36Å |
| 132 | S | 89 | Confident | 85.2 | Confident | 54 Ų | 54 | 108.2 Ų | 108.2 | 38% | 0.378 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.8 | -46.5 | 177.5 | -162.7 | 0 | 0 | 0 | 0 | 111.3 | Q128 Q129 Y130 V134 V135 E136 | Q128-S132 WeakPolarHBondContact O-CB 3.3Å; Q128-S132 PolarHBondContact O-N 2.85Å; Q129-S132 PolarHBondContact O-N 3.02Å; Y130-S132 VanDerWaalsContact C-N 3.35Å; Y130-S132 PolarHBondContact O-N 3.43Å; S132-V134 VanDerWaalsContact C-N 3.34Å; S132-V134 PolarHBondContact O-N 3.29Å; S132-V135 PolarHBondContact O-N 2.95Å; S132-E136 WeakPolarHBondContact O-CB 3.27Å; S132-E136 VanDerWaalsContact O-CG 3.32Å; S132-E136 WeakPolarHBondContact O-CG 3.35Å; S132-E136 PolarHBondContact O-N 2.99Å; S132-E136 PolarHBondContact OG-OE1 2.82Å |
| 133 | S | 88.1 | Confident | 84.7 | Confident | 64 Ų | 64 | 103.7 Ų | 103.7 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 179.6 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | Q129 Y130 I131 G137 | Q129-S133 WeakPolarHBondContact O-CB 3.32Å; Q129-S133 PolarHBondContact O-N 2.71Å; Q129-S133 PolarHBondContact O-OG 2.93Å; Y130-S133 PolarHBondContact O-N 3.5Å; Y130-S133 PolarHBondContact O-OG 2.89Å; I131-S133 VanDerWaalsContact C-N 3.33Å; I131-S133 PolarHBondContact O-N 3.36Å; S133-G137 PolarHBondContact O-N 3.23Å; S133-G137 VanDerWaalsContact O-N 3.17Å |
| 134 | V | 84.4 | Confident | 84.3 | Confident | 69 Ų | 69 | 104.9 Ų | 104.9 | 42% | 0.418 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | Y130 I131 S132 G137 M138 | Y130-V134 HydrophobicContact CE1-CG2 4.16Å; Y130-V134 HydrophobicContact CE2-CG2 4.2Å; Y130-V134 WeakPolarHBondContact O-CG2 3.42Å; Y130-V134 PolarHBondContact O-N 3.41Å; I131-V134 PolarHBondContact O-N 3Å; S132-V134 VanDerWaalsContact C-N 3.34Å; S132-V134 PolarHBondContact O-N 3.29Å; V134-G137 PolarHBondContact O-N 3.49Å; V134-M138 WeakPolarHBondContact O-CG 3.32Å |
| 135 | V | 82.6 | Confident | 84 | Confident | 88 Ų | 88 | 101 Ų | 101 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | I131 S132 G137 M138 | I131-V135 HydrophobicContact CG2-CG2 4.3Å; I131-V135 VanDerWaalsContact O-CG2 3.32Å; I131-V135 WeakPolarHBondContact O-CG2 3.24Å; I131-V135 PolarHBondContact O-N 3.36Å; S132-V135 PolarHBondContact O-N 2.95Å; V135-G137 PolarHBondContact O-N 3.04Å; V135-M138 WeakPolarHBondContact O-CA 3.5Å; V135-M138 WeakPolarHBondContact O-CB 3.43Å; V135-M138 PolarHBondContact O-N 3.42Å |
| 136 | E | 79.3 | Confident | 83.7 | Confident | 127 Ų | 127 | 96.9 Ų | 96.9 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.5 | -32.1 | 174.3 | -75.3 | 166.3 | -147 | 0 | 0 | 111.7 | S132 M138 | S132-E136 WeakPolarHBondContact O-CB 3.27Å; S132-E136 VanDerWaalsContact O-CG 3.32Å; S132-E136 WeakPolarHBondContact O-CG 3.35Å; S132-E136 PolarHBondContact O-N 2.99Å; S132-E136 PolarHBondContact OG-OE1 2.82Å; E136-M138 PolarHBondContact O-N 3.47Å |
| 137 | G | 66.3 | Low | 83.4 | Confident | 68 Ų | 68 | 94.1 Ų | 94.1 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -8.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115 | S133 V134 V135 | S133-G137 PolarHBondContact O-N 3.23Å; S133-G137 VanDerWaalsContact O-N 3.17Å; V134-G137 PolarHBondContact O-N 3.49Å; V135-G137 PolarHBondContact O-N 3.04Å |
| 138 | M | 67.6 | Low | 83.1 | Confident | 132 Ų | 132 | 90.9 Ų | 90.9 | 65% | 0.65 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 33.5 | 179 | -58.7 | 177.8 | 65.2 | 0 | 0 | 112.4 | V134 V135 E136 E140 | V134-M138 WeakPolarHBondContact O-CG 3.32Å; V135-M138 WeakPolarHBondContact O-CA 3.5Å; V135-M138 WeakPolarHBondContact O-CB 3.43Å; V135-M138 PolarHBondContact O-N 3.42Å; E136-M138 PolarHBondContact O-N 3.47Å; M138-E140 PolarHBondContact O-N 3.24Å |
| 139 | D | 58 | Low | 82.8 | Confident | 157 Ų | 157 | 90.7 Ų | 90.7 | 84% | 0.84 | 48% | 0.479 | S | S | * | . | trans | -59 | 6 | -169.3 | -127.3 | 5.6 | 0 | 0 | 0 | 116.7 | ||||
| 140 | E | 68.2 | Low | 82.6 | Confident | 137 Ų | 137 | 92.8 Ų | 92.8 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -124.1 | 127.2 | 176 | -71.5 | 176.4 | -174.3 | 0 | 0 | 109.4 | M138 H142 | M138-E140 PolarHBondContact O-N 3.24Å; E140-H142 VanDerWaalsContact C-N 3.28Å; E140-H142 WeakPolarHBondContact CB-CE1 3.46Å; E140-H142 PolarHBondContact O-N 3.17Å; E140-H142 PolarHBondContact O-ND1 3.32Å; E140-H142 IonicContact OE2-CE1 2.79Å; E140-H142 PolarHBondContact OE2-CE1 2.94Å; E140-H142 VanDerWaalsContact OE2-CE1 3.31Å; E140-H142 IonicContact OE2-NE2 3.85Å |
| 141 | M | 66.5 | Low | 82.4 | Confident | 165 Ų | 165 | 88.1 Ų | 88.1 | 81% | 0.813 | 48% | 0.477 | S | S | * | . | trans | -64 | 85.2 | 176.1 | -71.5 | -71.9 | -179.5 | 0 | 0 | 110.6 | ||||
| 142 | H | 79.8 | Confident | 82.3 | Confident | 93 Ų | 93 | 86.6 Ų | 86.6 | 43% | 0.431 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 121.5 | 178.3 | -71.2 | 98.9 | 0 | 0 | 0 | 110.6 | E140 I144 N152 | E140-H142 VanDerWaalsContact C-N 3.28Å; E140-H142 WeakPolarHBondContact CB-CE1 3.46Å; E140-H142 PolarHBondContact O-N 3.17Å; E140-H142 PolarHBondContact O-ND1 3.32Å; E140-H142 IonicContact OE2-CE1 2.79Å; E140-H142 PolarHBondContact OE2-CE1 2.94Å; E140-H142 VanDerWaalsContact OE2-CE1 3.31Å; E140-H142 IonicContact OE2-NE2 3.85Å; H142-I144 PolarHBondContact O-N 3.32Å; H142-N152 HydrophobicContact CB-CB 4.2Å; H142-N152 PolarHBondContact CD2-ND2 3.45Å |
| 143 | I | 87.7 | Confident | 82.4 | Confident | 10 Ų | 10 | 84.9 Ų | 84.9 | 5% | 0.051 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 117.1 | 173.4 | -51.2 | -175.7 | 0 | 0 | 0 | 108.7 | N152 L153 I155 S177 L180 L181 L184 | I143-N152 WeakPolarHBondContact O-CA 3.15Å; I143-L153 HydrophobicContact CB-CD1 4.2Å; I143-L153 HydrophobicContact CG2-CD1 3.84Å; I143-L153 PolarHBondContact O-N 2.96Å; I143-I155 HydrophobicContact CB-CD1 4.36Å; I143-I155 HydrophobicContact CD1-CD1 3.55Å; I143-I155 HydrophobicContact CG1-CD1 4.1Å; I143-S177 WeakPolarHBondContact CD1-O 3.32Å; I143-S177 WeakPolarHBondContact CD1-OG 3.35Å; I143-L180 HydrophobicContact CD1-CB 4.07Å; I143-L180 HydrophobicContact CD1-CD2 4.08Å; I143-L180 HydrophobicContact CD1-CG 4.02Å; I143-L181 HydrophobicContact CD1-CB 4.26Å; I143-L181 HydrophobicContact CD1-CD1 3.88Å; I143-L181 HydrophobicContact CD1-CD2 4.46Å; I143-L181 HydrophobicContact CD1-CG 3.51Å; I143-L181 HydrophobicContact CG1-CD1 3.81Å; I143-L181 HydrophobicContact CG1-CD2 4.26Å; I143-L181 HydrophobicContact CG1-CG 3.68Å; I143-L184 HydrophobicContact CG2-CD1 3.88Å |
| 144 | I | 90.1 | Very high | 82.4 | Confident | 105 Ų | 105 | 85.2 Ų | 85.2 | 54% | 0.538 | 46% | 0.459 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 134.9 | 172.8 | -59.2 | 173.9 | 0 | 0 | 0 | 109 | H142 P146 | H142-I144 PolarHBondContact O-N 3.32Å; I144-P146 WeakPolarHBondContact O-CD 3.5Å |
| 145 | C | 91.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 121 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | I147 Q149 N151 L153 C162 | C145-I147 PolarHBondContact O-N 2.8Å; C145-Q149 VanDerWaalsContact O-CA 3.27Å; C145-Q149 WeakPolarHBondContact O-CA 3.2Å; C145-Q149 PolarHBondContact O-N 2.88Å; C145-N151 WeakPolarHBondContact CB-O 3.48Å; C145-N151 PolarHBondContact N-O 3.19Å; C145-L153 HydrophobicContact CB-CD2 3.61Å; C145-L153 HydrophobicContact CB-CG 4.12Å; C145-C162 HydrophobicContact CB-CB 4.2Å; C145-C162 WeakPolarHBondContact CB-SG 3.45Å |
| 146 | P | 90.7 | Very high | 82.6 | Confident | 17 Ų | 17 | 83.7 Ų | 83.7 | 11% | 0.11 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.3 | -175.5 | 29 | -36 | 0 | 0 | 0 | 113.6 | I144 L184 F201 L213 | I144-P146 WeakPolarHBondContact O-CD 3.5Å; P146-L184 HydrophobicContact CB-CD2 4.45Å; P146-L184 HydrophobicContact CG-CD2 4.29Å; P146-F201 HydrophobicContact CB-CB 4.05Å; P146-F201 HydrophobicContact CB-CD1 3.89Å; P146-F201 HydrophobicContact CB-CD2 3.59Å; P146-F201 HydrophobicContact CB-CE1 4.16Å; P146-F201 HydrophobicContact CB-CE2 3.89Å; P146-F201 HydrophobicContact CB-CG 3.57Å; P146-F201 HydrophobicContact CB-CZ 4.16Å; P146-F201 HydrophobicContact CG-CD1 4.29Å; P146-F201 HydrophobicContact CG-CG 4.28Å; P146-L213 HydrophobicContact CG-CD1 4.47Å; P146-L213 HydrophobicContact CG-CD2 4.13Å |
| 147 | I | 90.3 | Very high | 82.7 | Confident | 69 Ų | 69 | 79.8 Ų | 79.8 | 35% | 0.354 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -50.4 | 179.4 | -57.3 | -178.3 | 0 | 0 | 0 | 111.3 | C145 L166 F201 V203 L213 | C145-I147 PolarHBondContact O-N 2.8Å; I147-L166 HydrophobicContact CD1-CB 4.13Å; I147-L166 HydrophobicContact CD1-CD1 3.48Å; I147-L166 VanDerWaalsContact CD1-CD1 3.48Å; I147-L166 HydrophobicContact CD1-CD2 3.87Å; I147-L166 HydrophobicContact CD1-CG 4.02Å; I147-L166 HydrophobicContact CG1-CD2 4.35Å; I147-F201 HydrophobicContact CG1-CB 4.4Å; I147-V203 HydrophobicContact CD1-CG2 3.6Å; I147-L213 HydrophobicContact CD1-CD1 4.45Å; I147-L213 HydrophobicContact CG1-CD1 4.49Å |
| 148 | C | 91.3 | Very high | 83.5 | Confident | 35 Ų | 35 | 82.9 Ų | 82.9 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -16.8 | -177.4 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | M150 C162 C164 | C148-M150 WeakPolarHBondContact O-CG 3.48Å; C148-M150 PolarHBondContact O-N 3.4Å; C148-C162 VanDerWaalsContact SG-SG 3.7Å; C148-C164 HydrophobicContact CB-CB 3.51Å |
| 149 | Q | 89.4 | Confident | 84.5 | Confident | 129 Ų | 129 | 79.6 Ų | 79.6 | 60% | 0.603 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 56.9 | 15.1 | -179.6 | -55.6 | 178.9 | -2.3 | 0 | 0 | 114.8 | C145 | C145-Q149 VanDerWaalsContact O-CA 3.27Å; C145-Q149 WeakPolarHBondContact O-CA 3.2Å; C145-Q149 PolarHBondContact O-N 2.88Å |
| 150 | M | 87.8 | Confident | 86 | Confident | 161 Ų | 161 | 72.2 Ų | 72.2 | 79% | 0.793 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -124.5 | -29.2 | -170.7 | -69.5 | -68 | -125.1 | 0 | 0 | 114.1 | C148 | C148-M150 WeakPolarHBondContact O-CG 3.48Å; C148-M150 PolarHBondContact O-N 3.4Å |
| 151 | N | 89.9 | Confident | 87.1 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -120.7 | 150.5 | -173.4 | -63.3 | -51.1 | 0 | 0 | 0 | 110.7 | C145 | C145-N151 WeakPolarHBondContact CB-O 3.48Å; C145-N151 PolarHBondContact N-O 3.19Å |
| 152 | N | 90.3 | Very high | 88.3 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 143.4 | 172.4 | -63 | -26.4 | 0 | 0 | 0 | 111.2 | H142 I143 | H142-N152 HydrophobicContact CB-CB 4.2Å; H142-N152 PolarHBondContact CD2-ND2 3.45Å; I143-N152 WeakPolarHBondContact O-CA 3.15Å |
| 153 | L | 90.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | trans | -74.3 | 133.5 | 174.5 | -66.6 | 178 | 0 | 0 | 0 | 110.8 | I143 C145 I155 I160 C162 L166 L180 | I143-L153 HydrophobicContact CB-CD1 4.2Å; I143-L153 HydrophobicContact CG2-CD1 3.84Å; I143-L153 PolarHBondContact O-N 2.96Å; C145-L153 HydrophobicContact CB-CD2 3.61Å; C145-L153 HydrophobicContact CB-CG 4.12Å; L153-I155 HydrophobicContact CB-CD1 4.16Å; L153-I155 HydrophobicContact CB-CG1 3.97Å; L153-I160 HydrophobicContact CB-CG2 4.39Å; L153-I160 HydrophobicContact CD1-CG2 4.18Å; L153-I160 HydrophobicContact CD2-CG2 4.19Å; L153-C162 HydrophobicContact CD2-CB 3.99Å; L153-L166 HydrophobicContact CD2-CD2 3.7Å; L153-L180 HydrophobicContact CD1-CD2 3.91Å | ||
| 154 | S | 89.5 | Confident | 88.9 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 109.3 | 166.2 | -54.6 | 0 | 0 | 0 | 0 | 109 | I160 S161 | S154-I160 WeakPolarHBondContact O-CA 3.4Å; S154-S161 PolarHBondContact N-O 2.85Å; S154-S161 PolarHBondContact O-N 2.74Å |
| 155 | I | 88 | Confident | 88.7 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.3 | -174 | -57.8 | 164.1 | 0 | 0 | 0 | 109 | I143 L153 I160 L180 | I143-I155 HydrophobicContact CB-CD1 4.36Å; I143-I155 HydrophobicContact CD1-CD1 3.55Å; I143-I155 HydrophobicContact CG1-CD1 4.1Å; L153-I155 HydrophobicContact CB-CD1 4.16Å; L153-I155 HydrophobicContact CB-CG1 3.97Å; I155-I160 HydrophobicContact CG1-CG1 4.35Å; I155-I160 HydrophobicContact CG1-CG2 4.22Å; I155-I160 HydrophobicContact CG2-CG1 4.26Å; I155-L180 HydrophobicContact CD1-CD2 3.85Å; I155-L180 HydrophobicContact CG1-CD2 4.38Å |
| 156 | N | 83.1 | Confident | 88.6 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | trans | -132.9 | 169.1 | 173.2 | -163.6 | -6.1 | 0 | 0 | 0 | 109.4 | Y158 F159 | N156-Y158 PolarHBondContact O-N 2.99Å; N156-F159 PolarHBondContact N-O 2.92Å; N156-F159 PolarHBondContact O-N 3.41Å | ||
| 157 | S | 81 | Confident | 88.5 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -59.8 | -13.9 | 179.3 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 158 | Y | 83.4 | Confident | 88.4 | Confident | 133 Ų | 133 | 63.2 Ų | 63.2 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -114.8 | -26.2 | -175.4 | -55 | -63.5 | 0 | 0 | 0 | 114.8 | N156 N169 T170 K171 | N156-Y158 PolarHBondContact O-N 2.99Å; Y158-N169 PolarHBondContact O-OD1 3.41Å; Y158-T170 PolarHBondContact O-N 2.78Å; Y158-T170 PolarHBondContact O-OG1 2.79Å; Y158-K171 HydrophobicContact CD1-CG 3.92Å; Y158-K171 HydrophobicContact CG-CG 4.35Å; Y158-K171 PolarHBondContact O-N 3.48Å |
| 159 | F | 87.3 | Confident | 88.1 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 160.1 | -179 | 66.6 | -89.2 | 0 | 0 | 0 | 112.6 | N156 S161 Y167 I168 T170 | N156-F159 PolarHBondContact N-O 2.92Å; N156-F159 PolarHBondContact O-N 3.41Å; F159-S161 WeakPolarHBondContact CE2-OG 3.21Å; F159-Y167 HydrophobicContact CB-CE2 3.92Å; F159-Y167 HydrophobicContact CD2-CD2 4.31Å; F159-Y167 AromaticContact CD2-CE2 3.73Å; F159-Y167 HydrophobicContact CD2-CE2 3.73Å; F159-Y167 HydrophobicContact CE2-CE2 4.42Å; F159-Y167 AromaticContact CG-CE2 3.85Å; F159-Y167 HydrophobicContact CG-CE2 3.85Å; F159-I168 CarbonylContact C-O 3.51Å; F159-I168 WeakPolarHBondContact CA-O 3.27Å; F159-I168 WeakPolarHBondContact CB-O 3.28Å; F159-T170 WeakPolarHBondContact CA-OG1 3.33Å; F159-T170 PolarHBondContact N-OG1 3.17Å; F159-T170 VanDerWaalsContact N-OG1 3.08Å |
| 160 | I | 90.1 | Very high | 87.8 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.7 | 169 | -59.9 | 158.4 | 0 | 0 | 0 | 107 | L153 S154 I155 Y167 I168 T170 I175 L180 L227 | L153-I160 HydrophobicContact CB-CG2 4.39Å; L153-I160 HydrophobicContact CD1-CG2 4.18Å; L153-I160 HydrophobicContact CD2-CG2 4.19Å; S154-I160 WeakPolarHBondContact O-CA 3.4Å; I155-I160 HydrophobicContact CG1-CG1 4.35Å; I155-I160 HydrophobicContact CG1-CG2 4.22Å; I155-I160 HydrophobicContact CG2-CG1 4.26Å; I160-Y167 CarbonylContact O-C 3.54Å; I160-Y167 WeakPolarHBondContact O-CA 3.29Å; I160-I168 HydrophobicContact CB-CB 4.34Å; I160-I168 PolarHBondContact N-O 3.17Å; I160-I168 PolarHBondContact O-N 2.86Å; I160-T170 HydrophobicContact CD1-CG2 3.7Å; I160-T170 HydrophobicContact CG1-CG2 3.99Å; I160-I175 HydrophobicContact CD1-CG2 4.36Å; I160-L180 HydrophobicContact CD1-CD2 3.9Å; I160-L180 HydrophobicContact CG2-CD2 4.45Å; I160-L227 HydrophobicContact CD1-CD1 3.68Å |
| 161 | S | 91.1 | Very high | 87.2 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 157.3 | -179.4 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | S154 F159 L166 | S154-S161 PolarHBondContact N-O 2.85Å; S154-S161 PolarHBondContact O-N 2.74Å; F159-S161 WeakPolarHBondContact CE2-OG 3.21Å; S161-L166 CarbonylContact C-O 3.23Å; S161-L166 WeakPolarHBondContact CA-O 3.4Å |
| 162 | C | 92 | Very high | 86.2 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | trans | -139.5 | 145.9 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | C145 C148 L153 C164 G165 L166 | C145-C162 HydrophobicContact CB-CB 4.2Å; C145-C162 WeakPolarHBondContact CB-SG 3.45Å; C148-C162 VanDerWaalsContact SG-SG 3.7Å; L153-C162 HydrophobicContact CD2-CB 3.99Å; C162-C164 VanDerWaalsContact CB-SG 3.58Å; C162-C164 PolarHBondContact O-N 3.49Å; C162-C164 PolarHBondContact SG-SG 3.38Å; C162-G165 PolarHBondContact O-N 3.33Å; C162-L166 HydrophobicContact CB-CB 3.74Å; C162-L166 HydrophobicContact CB-CD2 4.43Å; C162-L166 PolarHBondContact N-O 3Å | ||
| 163 | P | 91.3 | Very high | 85.2 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 69% | 0.688 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -17.3 | 172.6 | -26.9 | 35.2 | 0 | 0 | 0 | 115.2 | G165 | P163-G165 PolarHBondContact O-N 3.43Š|
| 164 | C | 89.2 | Confident | 84.2 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -4.3 | 174.4 | 71.9 | 0 | 0 | 0 | 0 | 114.4 | C148 C162 | C148-C164 HydrophobicContact CB-CB 3.51Å; C162-C164 VanDerWaalsContact CB-SG 3.58Å; C162-C164 PolarHBondContact O-N 3.49Å; C162-C164 PolarHBondContact SG-SG 3.38Å |
| 165 | G | 86.3 | Confident | 83.8 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 70% | 0.701 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 101.7 | 1.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C162 P163 Y167 | C162-G165 PolarHBondContact O-N 3.33Å; P163-G165 PolarHBondContact O-N 3.43Å; G165-Y167 PolarHBondContact O-N 3.27Å |
| 166 | L | 88.5 | Confident | 83.6 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | trans | -65.3 | 127.9 | 170.6 | 176.3 | 55.5 | 0 | 0 | 0 | 110.2 | I147 L153 S161 C162 I168 V203 | I147-L166 HydrophobicContact CD1-CB 4.13Å; I147-L166 HydrophobicContact CD1-CD1 3.48Å; I147-L166 VanDerWaalsContact CD1-CD1 3.48Å; I147-L166 HydrophobicContact CD1-CD2 3.87Å; I147-L166 HydrophobicContact CD1-CG 4.02Å; I147-L166 HydrophobicContact CG1-CD2 4.35Å; L153-L166 HydrophobicContact CD2-CD2 3.7Å; S161-L166 CarbonylContact C-O 3.23Å; S161-L166 WeakPolarHBondContact CA-O 3.4Å; C162-L166 HydrophobicContact CB-CB 3.74Å; C162-L166 HydrophobicContact CB-CD2 4.43Å; C162-L166 PolarHBondContact N-O 3Å; L166-I168 HydrophobicContact CD1-CD1 3.85Å; L166-I168 HydrophobicContact CD1-CG1 3.84Å; L166-V203 HydrophobicContact CD1-CG2 3.47Å; L166-V203 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 167 | Y | 88.3 | Confident | 83.7 | Confident | 127 Ų | 127 | 64 Ų | 64 | 50% | 0.498 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 119.7 | 171.3 | -173.9 | -91.8 | 0 | 0 | 0 | 110.8 | F159 I160 G165 N169 | F159-Y167 HydrophobicContact CB-CE2 3.92Å; F159-Y167 HydrophobicContact CD2-CD2 4.31Å; F159-Y167 AromaticContact CD2-CE2 3.73Å; F159-Y167 HydrophobicContact CD2-CE2 3.73Å; F159-Y167 HydrophobicContact CE2-CE2 4.42Å; F159-Y167 AromaticContact CG-CE2 3.85Å; F159-Y167 HydrophobicContact CG-CE2 3.85Å; I160-Y167 CarbonylContact O-C 3.54Å; I160-Y167 WeakPolarHBondContact O-CA 3.29Å; G165-Y167 PolarHBondContact O-N 3.27Å; Y167-N169 HydrophobicContact CE1-CB 4.49Å |
| 168 | I | 87.8 | Confident | 84 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.1 | 179.6 | -62.4 | 169.9 | 0 | 0 | 0 | 108.6 | F159 I160 L166 T170 V203 L213 L227 | F159-I168 CarbonylContact C-O 3.51Å; F159-I168 WeakPolarHBondContact CA-O 3.27Å; F159-I168 WeakPolarHBondContact CB-O 3.28Å; I160-I168 HydrophobicContact CB-CB 4.34Å; I160-I168 PolarHBondContact N-O 3.17Å; I160-I168 PolarHBondContact O-N 2.86Å; L166-I168 HydrophobicContact CD1-CD1 3.85Å; L166-I168 HydrophobicContact CD1-CG1 3.84Å; I168-T170 HydrophobicContact CG2-CG2 4.09Å; I168-V203 HydrophobicContact CD1-CG2 4.5Å; I168-L213 HydrophobicContact CD1-CB 3.89Å; I168-L227 HydrophobicContact CD1-CD1 4.42Å |
| 169 | N | 85.6 | Confident | 84.2 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.5 | 179 | -174.8 | -27.9 | 0 | 0 | 0 | 110.8 | Y158 Y167 K171 | Y158-N169 PolarHBondContact O-OD1 3.41Å; Y167-N169 HydrophobicContact CE1-CB 4.49Å; N169-K171 WeakPolarHBondContact OD1-CB 3.31Å; N169-K171 VanDerWaalsContact OD1-CG 3.23Å; N169-K171 WeakPolarHBondContact OD1-CG 3.41Å; N169-K171 PolarHBondContact OD1-N 2.99Å; N169-K171 VanDerWaalsContact OD1-N 3.16Å |
| 170 | T | 82.3 | Confident | 84.3 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | trans | -108.7 | 8.7 | -174.4 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | Y158 F159 I160 I168 K172 R173 N174 I175 | Y158-T170 PolarHBondContact O-N 2.78Å; Y158-T170 PolarHBondContact O-OG1 2.79Å; F159-T170 WeakPolarHBondContact CA-OG1 3.33Å; F159-T170 PolarHBondContact N-OG1 3.17Å; F159-T170 VanDerWaalsContact N-OG1 3.08Å; I160-T170 HydrophobicContact CD1-CG2 3.7Å; I160-T170 HydrophobicContact CG1-CG2 3.99Å; I168-T170 HydrophobicContact CG2-CG2 4.09Å; T170-K172 PolarHBondContact O-N 3.35Å; T170-R173 PolarHBondContact O-N 3.22Å; T170-N174 PolarHBondContact O-N 3.31Å; T170-I175 HydrophobicContact CG2-CB 4.38Å; T170-I175 HydrophobicContact CG2-CD1 3.43Å; T170-I175 VanDerWaalsContact CG2-CD1 3.43Å; T170-I175 HydrophobicContact CG2-CG1 4.47Å | ||
| 171 | K | 75.3 | Confident | 84.3 | Confident | 139 Ų | 139 | 61.3 Ų | 61.3 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -28.5 | -175.6 | -73.1 | -175 | 177.8 | -175.1 | 0 | 115.6 | Y158 N169 | Y158-K171 HydrophobicContact CD1-CG 3.92Å; Y158-K171 HydrophobicContact CG-CG 4.35Å; Y158-K171 PolarHBondContact O-N 3.48Å; N169-K171 WeakPolarHBondContact OD1-CB 3.31Å; N169-K171 VanDerWaalsContact OD1-CG 3.23Å; N169-K171 WeakPolarHBondContact OD1-CG 3.41Å; N169-K171 PolarHBondContact OD1-N 2.99Å; N169-K171 VanDerWaalsContact OD1-N 3.16Å |
| 172 | K | 68.8 | Low | 84.2 | Confident | 160 Ų | 160 | 67.6 Ų | 67.6 | 70% | 0.696 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -7.5 | -179 | -63.1 | -176.6 | -171.5 | 158.4 | 0 | 114.4 | T170 H210 | T170-K172 PolarHBondContact O-N 3.35Å; K172-H210 PolarHBondContact NZ-NE2 3.05Å; K172-H210 VanDerWaalsContact NZ-NE2 3.16Å |
| 173 | R | 70.8 | Confident | 84.2 | Confident | 117 Ų | 117 | 70 Ų | 70 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -6.7 | -167.9 | -68.5 | -178.4 | 178.5 | 172.6 | -8.2 | 114.4 | T170 I175 L227 | T170-R173 PolarHBondContact O-N 3.22Å; R173-I175 VanDerWaalsContact C-N 3.34Å; R173-I175 HydrophobicContact CB-CD1 3.62Å; R173-I175 HydrophobicContact CB-CG1 3.94Å; R173-I175 PolarHBondContact O-N 2.77Å; R173-L227 PolarHBondContact NH1-OXT 3.16Å |
| 174 | N | 69.2 | Low | 84.2 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | trans | 39.3 | 58 | 179 | -162.5 | 20.4 | 0 | 0 | 0 | 113.5 | T170 | T170-N174 PolarHBondContact O-N 3.31Š| ||
| 175 | I | 80.6 | Confident | 84.4 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | trans | -86.6 | 117.5 | -176.6 | -66 | 148.8 | 0 | 0 | 0 | 108.6 | I160 T170 R173 L180 L227 | I160-I175 HydrophobicContact CD1-CG2 4.36Å; T170-I175 HydrophobicContact CG2-CB 4.38Å; T170-I175 HydrophobicContact CG2-CD1 3.43Å; T170-I175 VanDerWaalsContact CG2-CD1 3.43Å; T170-I175 HydrophobicContact CG2-CG1 4.47Å; R173-I175 VanDerWaalsContact C-N 3.34Å; R173-I175 HydrophobicContact CB-CD1 3.62Å; R173-I175 HydrophobicContact CB-CG1 3.94Å; R173-I175 PolarHBondContact O-N 2.77Å; I175-L180 HydrophobicContact CG2-CB 4.15Å; I175-L227 HydrophobicContact CD1-CD2 3.55Å; I175-L227 HydrophobicContact CG1-CD2 4.07Å; I175-L227 HydrophobicContact CG2-CD2 4.12Å | ||
| 176 | S | 84.8 | Confident | 84.7 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -84.9 | 165.5 | 168.8 | 72 | 0 | 0 | 0 | 0 | 111.3 | D178 V179 L180 | S176-D178 VanDerWaalsContact C-N 3.31Å; S176-D178 PolarHBondContact O-N 2.94Å; S176-V179 PolarHBondContact O-N 2.75Å; S176-V179 WeakPolarHBondContact OG-CG2 3.46Å; S176-V179 PolarHBondContact OG-N 2.85Å; S176-L180 PolarHBondContact O-N 2.81Å; S176-L180 VanDerWaalsContact O-N 3.14Å | ||
| 177 | S | 85.4 | Confident | 85 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.7 | -46.9 | 174.4 | -164.7 | 0 | 0 | 0 | 0 | 111.4 | I143 V179 L180 L181 | I143-S177 WeakPolarHBondContact CD1-O 3.32Å; I143-S177 WeakPolarHBondContact CD1-OG 3.35Å; S177-V179 VanDerWaalsContact C-N 3.33Å; S177-V179 PolarHBondContact O-N 2.87Å; S177-L180 WeakPolarHBondContact O-CB 3.42Å; S177-L180 PolarHBondContact O-N 2.99Å; S177-L180 VanDerWaalsContact O-N 3.15Å; S177-L181 PolarHBondContact O-N 3.07Å |
| 178 | D | 86.4 | Confident | 85.1 | Confident | 94 Ų | 94 | 67 Ų | 67 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | -179.1 | -47.7 | -67.7 | 0 | 0 | 0 | 113.3 | S176 L181 R182 | S176-D178 VanDerWaalsContact C-N 3.31Å; S176-D178 PolarHBondContact O-N 2.94Å; D178-L181 PolarHBondContact O-N 2.95Å; D178-R182 WeakPolarHBondContact O-CG 3.33Å; D178-R182 PolarHBondContact O-N 3.38Å |
| 179 | V | 88.1 | Confident | 85.3 | Confident | 47 Ų | 47 | 70 Ų | 70 | 29% | 0.285 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 110 | S176 S177 R182 L183 | S176-V179 PolarHBondContact O-N 2.75Å; S176-V179 WeakPolarHBondContact OG-CG2 3.46Å; S176-V179 PolarHBondContact OG-N 2.85Å; S177-V179 VanDerWaalsContact C-N 3.33Å; S177-V179 PolarHBondContact O-N 2.87Å; V179-R182 PolarHBondContact O-N 2.94Å; V179-L183 HydrophobicContact CG1-CD1 3.93Å; V179-L183 HydrophobicContact CG1-CG 4.48Å; V179-L183 WeakPolarHBondContact O-CB 3.44Å; V179-L183 VanDerWaalsContact O-CG 3.24Å; V179-L183 WeakPolarHBondContact O-CG 3.43Å; V179-L183 PolarHBondContact O-N 2.84Å |
| 180 | L | 88.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 175.9 | 178.5 | 53.1 | 0 | 0 | 0 | 111.9 | I143 L153 I155 I160 I175 S176 S177 L183 L184 L227 | I143-L180 HydrophobicContact CD1-CB 4.07Å; I143-L180 HydrophobicContact CD1-CD2 4.08Å; I143-L180 HydrophobicContact CD1-CG 4.02Å; L153-L180 HydrophobicContact CD1-CD2 3.91Å; I155-L180 HydrophobicContact CD1-CD2 3.85Å; I155-L180 HydrophobicContact CG1-CD2 4.38Å; I160-L180 HydrophobicContact CD1-CD2 3.9Å; I160-L180 HydrophobicContact CG2-CD2 4.45Å; I175-L180 HydrophobicContact CG2-CB 4.15Å; S176-L180 PolarHBondContact O-N 2.81Å; S176-L180 VanDerWaalsContact O-N 3.14Å; S177-L180 WeakPolarHBondContact O-CB 3.42Å; S177-L180 PolarHBondContact O-N 2.99Å; S177-L180 VanDerWaalsContact O-N 3.15Å; L180-L183 PolarHBondContact O-N 3.42Å; L180-L184 HydrophobicContact CD1-CD1 3.95Å; L180-L184 HydrophobicContact CD1-CG 4.06Å; L180-L184 HydrophobicContact CG-CD1 3.96Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.48Å; L180-L227 HydrophobicContact CD1-CD1 3.32Å; L180-L227 HydrophobicContact CD1-CD2 4.24Å; L180-L227 HydrophobicContact CD1-CG 3.84Å; L180-L227 HydrophobicContact CD2-CD1 4.5Å; L180-L227 HydrophobicContact CG-CD1 4.47Å |
| 181 | L | 89.7 | Confident | 86.2 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.2 | -54.5 | 175.1 | -98.3 | 156.7 | 0 | 0 | 0 | 111.4 | I143 S177 D178 L183 L184 E185 | I143-L181 HydrophobicContact CD1-CB 4.26Å; I143-L181 HydrophobicContact CD1-CD1 3.88Å; I143-L181 HydrophobicContact CD1-CD2 4.46Å; I143-L181 HydrophobicContact CD1-CG 3.51Å; I143-L181 HydrophobicContact CG1-CD1 3.81Å; I143-L181 HydrophobicContact CG1-CD2 4.26Å; I143-L181 HydrophobicContact CG1-CG 3.68Å; S177-L181 PolarHBondContact O-N 3.07Å; D178-L181 PolarHBondContact O-N 2.95Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 2.82Å; L181-L184 PolarHBondContact O-N 3.21Å; L181-L184 VanDerWaalsContact O-N 3.14Å; L181-E185 WeakPolarHBondContact O-CB 3.3Å; L181-E185 WeakPolarHBondContact O-CG 3.38Å; L181-E185 PolarHBondContact O-N 2.8Å |
| 182 | R | 90.3 | Very high | 87 | Confident | 157 Ų | 157 | 71.4 Ų | 71.4 | 59% | 0.592 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.7 | -35.9 | -179.9 | -71 | -167.4 | -57.5 | -118.1 | 0.8 | 113.1 | D178 V179 A186 | D178-R182 WeakPolarHBondContact O-CG 3.33Å; D178-R182 PolarHBondContact O-N 3.38Å; V179-R182 PolarHBondContact O-N 2.94Å; R182-A186 WeakPolarHBondContact O-CB 3.36Å; R182-A186 PolarHBondContact O-N 2.92Å |
| 183 | L | 91.3 | Very high | 88.1 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 177.1 | -72.6 | 169.3 | 0 | 0 | 0 | 111.6 | V179 L180 L181 R187 V226 L227 | V179-L183 HydrophobicContact CG1-CD1 3.93Å; V179-L183 HydrophobicContact CG1-CG 4.48Å; V179-L183 WeakPolarHBondContact O-CB 3.44Å; V179-L183 VanDerWaalsContact O-CG 3.24Å; V179-L183 WeakPolarHBondContact O-CG 3.43Å; V179-L183 PolarHBondContact O-N 2.84Å; L180-L183 PolarHBondContact O-N 3.42Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 2.82Å; L183-R187 VanDerWaalsContact O-CG 3.27Å; L183-R187 WeakPolarHBondContact O-CG 3.36Å; L183-R187 PolarHBondContact O-N 3.21Å; L183-V226 HydrophobicContact CB-CG1 4.12Å; L183-L227 HydrophobicContact CD1-CD2 3.92Å |
| 184 | L | 92.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 175.2 | -73.6 | 166.1 | 0 | 0 | 0 | 111 | I143 P146 L180 L181 R187 L188 F201 L213 V226 | I143-L184 HydrophobicContact CG2-CD1 3.88Å; P146-L184 HydrophobicContact CB-CD2 4.45Å; P146-L184 HydrophobicContact CG-CD2 4.29Å; L180-L184 HydrophobicContact CD1-CD1 3.95Å; L180-L184 HydrophobicContact CD1-CG 4.06Å; L180-L184 HydrophobicContact CG-CD1 3.96Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.48Å; L181-L184 PolarHBondContact O-N 3.21Å; L181-L184 VanDerWaalsContact O-N 3.14Å; L184-R187 PolarHBondContact O-N 3.28Å; L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.09Å; L184-F201 HydrophobicContact CD2-CD1 4.37Å; L184-F201 HydrophobicContact CD2-CE1 3.58Å; L184-F201 HydrophobicContact CD2-CZ 4.03Å; L184-L213 HydrophobicContact CD2-CD2 4.2Å; L184-V226 HydrophobicContact CD2-CG1 3.76Å; L184-V226 HydrophobicContact CG-CG1 4.09Å |
| 185 | E | 92.5 | Very high | 90 | Very high | 106 Ų | 106 | 67.3 Ų | 67.3 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.4 | -51 | 177.9 | -73.9 | 171.9 | 178.7 | 0 | 0 | 111.3 | L181 R187 L188 S189 | L181-E185 WeakPolarHBondContact O-CB 3.3Å; L181-E185 WeakPolarHBondContact O-CG 3.38Å; L181-E185 PolarHBondContact O-N 2.8Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 2.89Å; E185-L188 PolarHBondContact O-N 2.87Å; E185-S189 WeakPolarHBondContact O-CB 3.4Å; E185-S189 PolarHBondContact O-N 3.26Å; E185-S189 PolarHBondContact O-OG 2.96Å; E185-S189 VanDerWaalsContact O-OG 3.09Å |
| 186 | A | 93.5 | Very high | 90.5 | Very high | 55 Ų | 55 | 74.7 Ų | 74.7 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R182 E190 | R182-A186 WeakPolarHBondContact O-CB 3.36Å; R182-A186 PolarHBondContact O-N 2.92Å; A186-E190 VanDerWaalsContact O-CB 3.24Å; A186-E190 WeakPolarHBondContact O-CB 3.43Å; A186-E190 PolarHBondContact O-N 2.75Å |
| 187 | R | 93 | Very high | 90.9 | Very high | 77 Ų | 77 | 78 Ų | 78 | 29% | 0.291 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.3 | -35.9 | 179.5 | -65.1 | -58.3 | -178.8 | -148.6 | -5 | 113.1 | L183 L184 E185 E190 H191 I215 S224 I225 V226 | L183-R187 VanDerWaalsContact O-CG 3.27Å; L183-R187 WeakPolarHBondContact O-CG 3.36Å; L183-R187 PolarHBondContact O-N 3.21Å; L184-R187 PolarHBondContact O-N 3.28Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 2.89Å; R187-E190 IonicContact CZ-OE2 2.8Å; R187-E190 IonicContact NH1-OE2 3.51Å; R187-E190 PolarHBondContact NH1-OE2 3.06Å; R187-H191 PolarHBondContact O-N 3.28Å; R187-I215 HydrophobicContact CB-CD1 4.47Å; R187-I215 HydrophobicContact CB-CG2 4.18Å; R187-S224 WeakPolarHBondContact CD-OG 3.17Å; R187-S224 PolarHBondContact NE-OG 3.23Å; R187-S224 VanDerWaalsContact NE-OG 3.15Å; R187-I225 PolarHBondContact NE-O 3.41Å; R187-V226 HydrophobicContact CG-CG2 4.35Å |
| 188 | L | 91.3 | Very high | 91 | Very high | 56 Ų | 56 | 80.8 Ų | 80.8 | 29% | 0.293 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.1 | -46.4 | 174.6 | -75.3 | 168.5 | 0 | 0 | 0 | 111.1 | L184 E185 H191 M192 P199 F201 I215 | L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.09Å; E185-L188 PolarHBondContact O-N 2.87Å; L188-H191 PolarHBondContact O-N 3.08Å; L188-M192 WeakPolarHBondContact O-CB 3.4Å; L188-M192 VanDerWaalsContact O-CG 3.28Å; L188-M192 WeakPolarHBondContact O-CG 3.35Å; L188-M192 PolarHBondContact O-N 3.44Å; L188-P199 HydrophobicContact CD2-CG 3.59Å; L188-F201 HydrophobicContact CD1-CZ 4.33Å; L188-F201 HydrophobicContact CD2-CE2 4.15Å; L188-F201 HydrophobicContact CD2-CZ 3.91Å; L188-F201 HydrophobicContact CG-CZ 4.14Å; L188-I215 HydrophobicContact CD2-CD1 3.8Å; L188-I215 HydrophobicContact CG-CD1 4.28Å |
| 189 | S | 92.6 | Very high | 91.3 | Very high | 65 Ų | 65 | 76.9 Ų | 76.9 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.5 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | E185 H191 M192 E193 | E185-S189 WeakPolarHBondContact O-CB 3.4Å; E185-S189 PolarHBondContact O-N 3.26Å; E185-S189 PolarHBondContact O-OG 2.96Å; E185-S189 VanDerWaalsContact O-OG 3.09Å; S189-H191 VanDerWaalsContact C-N 3.26Å; S189-H191 PolarHBondContact O-N 2.96Å; S189-M192 PolarHBondContact O-N 3.48Å; S189-E193 PolarHBondContact O-N 3.14Å |
| 190 | E | 93.1 | Very high | 91.5 | Very high | 92 Ų | 92 | 78.1 Ų | 78.1 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.4 | -41.5 | 176.3 | -176.6 | 179.9 | -164.9 | 0 | 0 | 112 | A186 R187 Y222 | A186-E190 VanDerWaalsContact O-CB 3.24Å; A186-E190 WeakPolarHBondContact O-CB 3.43Å; A186-E190 PolarHBondContact O-N 2.75Å; R187-E190 IonicContact CZ-OE2 2.8Å; R187-E190 IonicContact NH1-OE2 3.51Å; R187-E190 PolarHBondContact NH1-OE2 3.06Å; E190-Y222 HydrophobicContact CG-CE2 4.08Å; E190-Y222 PolarHBondContact OE2-OH 3.16Å |
| 191 | H | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 79.1 Ų | 79.1 | 1% | 0.014 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 175.4 | 170.3 | -85.7 | 0 | 0 | 0 | 113 | R187 L188 S189 E193 D194 C195 H197 C217 C220 Y222 | R187-H191 PolarHBondContact O-N 3.28Å; L188-H191 PolarHBondContact O-N 3.08Å; S189-H191 VanDerWaalsContact C-N 3.26Å; S189-H191 PolarHBondContact O-N 2.96Å; H191-E193 VanDerWaalsContact C-N 3.26Å; H191-E193 PolarHBondContact O-N 3.14Å; H191-D194 PolarHBondContact O-N 3.15Å; H191-C195 PolarHBondContact CE1-O 3.49Å; H191-C195 WeakPolarHBondContact NE2-CB 3.48Å; H191-C195 PolarHBondContact O-N 3.04Å; H191-H197 PolarHBondContact CE1-O 2.59Å; H191-C217 VanDerWaalsContact NE2-CB 3.29Å; H191-C217 WeakPolarHBondContact NE2-CB 3.17Å; H191-C217 PolarHBondContact NE2-SG 3.28Å; H191-C220 PolarHBondContact NE2-SG 2.93Å; H191-C220 VanDerWaalsContact NE2-SG 3.38Å; H191-Y222 HydrophobicContact CB-CD1 4.03Å; H191-Y222 HydrophobicContact CB-CE1 4.03Å; H191-Y222 HydrophobicContact CB-CG 4.4Å; H191-Y222 AromaticContact CD2-CD1 3.89Å; H191-Y222 AromaticContact CD2-CG 3.91Å |
| 192 | M | 91.3 | Very high | 91.7 | Very high | 122 Ų | 122 | 79 Ų | 79 | 60% | 0.601 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.1 | -21.4 | -175.1 | -78.6 | -173.9 | 67.8 | 0 | 0 | 114.1 | L188 S189 D194 | L188-M192 WeakPolarHBondContact O-CB 3.4Å; L188-M192 VanDerWaalsContact O-CG 3.28Å; L188-M192 WeakPolarHBondContact O-CG 3.35Å; L188-M192 PolarHBondContact O-N 3.44Å; S189-M192 PolarHBondContact O-N 3.48Å; M192-D194 VanDerWaalsContact C-N 3.3Å; M192-D194 PolarHBondContact O-N 3.32Å |
| 193 | E | 91.1 | Very high | 91.7 | Very high | 158 Ų | 158 | 73.9 Ų | 73.9 | 74% | 0.738 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.6 | -39.5 | 173.5 | -65.7 | -59.8 | 142.6 | 0 | 0 | 111.9 | S189 H191 | S189-E193 PolarHBondContact O-N 3.14Å; H191-E193 VanDerWaalsContact C-N 3.26Å; H191-E193 PolarHBondContact O-N 3.14Å |
| 194 | D | 89.3 | Confident | 91.2 | Very high | 153 Ų | 153 | 73.1 Ų | 73.1 | 82% | 0.818 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -107.1 | -13.7 | -173 | -66.6 | -42.4 | 0 | 0 | 0 | 113.4 | H191 M192 | H191-D194 PolarHBondContact O-N 3.15Å; M192-D194 VanDerWaalsContact C-N 3.3Å; M192-D194 PolarHBondContact O-N 3.32Å |
| 195 | C | 92.6 | Very high | 90 | Very high | 14 Ų | 14 | 78.2 Ų | 78.2 | 10% | 0.095 | 43% | 0.429 | C | S | . | . | trans | -150.9 | 132.5 | -174.5 | -167.1 | 0 | 0 | 0 | 0 | 114.8 | H191 H197 C220 | H191-C195 PolarHBondContact CE1-O 3.49Å; H191-C195 WeakPolarHBondContact NE2-CB 3.48Å; H191-C195 PolarHBondContact O-N 3.04Å; C195-H197 PolarHBondContact SG-ND1 2.74Å; C195-C220 HydrophobicContact CB-CB 4.08Å | ||
| 196 | L | 91 | Very high | 88.4 | Confident | 166 Ų | 166 | 78.1 Ų | 78.1 | 87% | 0.869 | 43% | 0.432 | S | S | * | . | trans | -90.1 | -0.5 | 177.1 | -59.4 | 177.6 | 0 | 0 | 0 | 114.3 | ||||
| 197 | H | 91.8 | Very high | 86.6 | Confident | 119 Ų | 119 | 81.6 Ų | 81.6 | 55% | 0.551 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -77.6 | 149.5 | 178.9 | -68.4 | 81.3 | 0 | 0 | 0 | 110.9 | H191 C195 P199 A219 | H191-H197 PolarHBondContact CE1-O 2.59Å; C195-H197 PolarHBondContact SG-ND1 2.74Å; H197-P199 WeakPolarHBondContact O-CD 3.22Å; H197-A219 HydrophobicContact CB-CB 3.95Å; H197-A219 WeakPolarHBondContact ND1-CB 3.37Å |
| 198 | S | 88.8 | Confident | 84.7 | Confident | 94 Ų | 94 | 84.5 Ų | 84.5 | 66% | 0.657 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 120.9 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 199 | P | 91.9 | Very high | 83.1 | Confident | 11 Ų | 11 | 85.4 Ų | 85.4 | 7% | 0.071 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 150.6 | 177 | 31.1 | -33.8 | 0 | 0 | 0 | 111.1 | L188 H197 I215 S216 C217 | L188-P199 HydrophobicContact CD2-CG 3.59Å; H197-P199 WeakPolarHBondContact O-CD 3.22Å; P199-I215 HydrophobicContact CB-CD1 3.82Å; P199-I215 HydrophobicContact CB-CG1 3.64Å; P199-I215 HydrophobicContact CG-CD1 3.69Å; P199-I215 HydrophobicContact CG-CG1 4.07Å; P199-S216 CarbonylContact C-O 3.59Å; P199-C217 HydrophobicContact CB-CB 4.39Å |
| 200 | V | 92.4 | Very high | 81.8 | Confident | 74 Ų | 74 | 84 Ų | 84 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.1 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | S216 | V200-S216 PolarHBondContact N-O 3.2Å; V200-S216 PolarHBondContact O-N 2.94Å; V200-S216 PolarHBondContact O-OG 3.25Å |
| 201 | F | 92.9 | Very high | 81 | Confident | 22 Ų | 22 | 80.8 Ų | 80.8 | 10% | 0.096 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.3 | 173.9 | -67.8 | -95.8 | 0 | 0 | 0 | 111.5 | P146 I147 L184 L188 L213 M214 I215 V226 | P146-F201 HydrophobicContact CB-CB 4.05Å; P146-F201 HydrophobicContact CB-CD1 3.89Å; P146-F201 HydrophobicContact CB-CD2 3.59Å; P146-F201 HydrophobicContact CB-CE1 4.16Å; P146-F201 HydrophobicContact CB-CE2 3.89Å; P146-F201 HydrophobicContact CB-CG 3.57Å; P146-F201 HydrophobicContact CB-CZ 4.16Å; P146-F201 HydrophobicContact CG-CD1 4.29Å; P146-F201 HydrophobicContact CG-CG 4.28Å; I147-F201 HydrophobicContact CG1-CB 4.4Å; L184-F201 HydrophobicContact CD2-CD1 4.37Å; L184-F201 HydrophobicContact CD2-CE1 3.58Å; L184-F201 HydrophobicContact CD2-CZ 4.03Å; L188-F201 HydrophobicContact CD1-CZ 4.33Å; L188-F201 HydrophobicContact CD2-CE2 4.15Å; L188-F201 HydrophobicContact CD2-CZ 3.91Å; L188-F201 HydrophobicContact CG-CZ 4.14Å; F201-L213 HydrophobicContact CB-CD1 4.39Å; F201-L213 HydrophobicContact CD1-CD1 4.43Å; F201-L213 HydrophobicContact CD1-CG 4.43Å; F201-M214 CarbonylContact C-O 3.45Å; F201-M214 VanDerWaalsContact CA-O 3.27Å; F201-M214 WeakPolarHBondContact CA-O 3.09Å; F201-I215 HydrophobicContact CD1-CB 4.04Å; F201-I215 HydrophobicContact CD1-CG1 4.35Å; F201-I215 HydrophobicContact CE1-CB 3.84Å; F201-I215 HydrophobicContact CE1-CD1 3.93Å; F201-I215 HydrophobicContact CE1-CG1 3.97Å; F201-I215 HydrophobicContact CE2-CD1 4.3Å; F201-I215 HydrophobicContact CE2-CG1 4.44Å; F201-I215 HydrophobicContact CZ-CB 4.4Å; F201-I215 HydrophobicContact CZ-CD1 3.67Å; F201-I215 HydrophobicContact CZ-CG1 4.03Å; F201-V226 HydrophobicContact CD1-CG2 4.4Å; F201-V226 HydrophobicContact CE1-CG2 4.06Å |
| 202 | S | 90.2 | Very high | 80.6 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 30% | 0.301 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.7 | 178.4 | 62.9 | 0 | 0 | 0 | 0 | 111 | M214 | S202-M214 PolarHBondContact N-O 2.86Å; S202-M214 PolarHBondContact O-N 2.79Å |
| 203 | V | 89 | Confident | 80.5 | Confident | 48 Ų | 48 | 75.7 Ų | 75.7 | 29% | 0.291 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.1 | 176 | 175.8 | 0 | 0 | 0 | 0 | 109.4 | I147 L166 I168 A211 S212 L213 | I147-V203 HydrophobicContact CD1-CG2 3.6Å; L166-V203 HydrophobicContact CD1-CG2 3.47Å; L166-V203 VanDerWaalsContact CD1-CG2 3.47Å; I168-V203 HydrophobicContact CD1-CG2 4.5Å; V203-A211 HydrophobicContact CG1-CB 3.74Å; V203-S212 WeakPolarHBondContact CA-O 3.27Å; V203-L213 HydrophobicContact CG2-CD1 3.91Å |
| 204 | T | 82 | Confident | 80.5 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 27% | 0.27 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.9 | 174.6 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | N206 A211 S212 M214 | T204-N206 VanDerWaalsContact C-N 3.31Å; T204-N206 PolarHBondContact O-N 3.14Å; T204-A211 WeakPolarHBondContact O-CA 3.09Å; T204-S212 PolarHBondContact N-O 2.91Å; T204-S212 VanDerWaalsContact N-O 3.07Å; T204-S212 PolarHBondContact O-N 3.22Å; T204-S212 PolarHBondContact OG1-O 3.5Å; T204-M214 HydrophobicContact CG2-CE 3.24Å; T204-M214 HydrophobicContact CG2-SD 3.66Å |
| 205 | P | 66.6 | Low | 80.7 | Confident | 120 Ų | 120 | 62.6 Ų | 62.6 | 78% | 0.779 | 37% | 0.366 | S | S | * | . | trans | -75.4 | 88.9 | 169.4 | 30.3 | -30.7 | 0 | 0 | 0 | 107.8 | ||||
| 206 | N | 59.3 | Low | 80.8 | Confident | 104 Ų | 104 | 63.6 Ų | 63.6 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | trans | -74.5 | 130.7 | 179.4 | -139.9 | -1 | 0 | 0 | 0 | 109.7 | T204 D208 H210 | T204-N206 VanDerWaalsContact C-N 3.31Å; T204-N206 PolarHBondContact O-N 3.14Å; N206-D208 PolarHBondContact O-N 3.27Å; N206-D208 VanDerWaalsContact O-N 3.14Å; N206-H210 WeakPolarHBondContact CB-O 3.47Å | ||
| 207 | T | 54.4 | Low | 80.9 | Confident | 128 Ų | 128 | 56 Ų | 56 | 79% | 0.785 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.5 | -171.9 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 208 | D | 54.4 | Low | 80.8 | Confident | 139 Ų | 139 | 58.9 Ų | 58.9 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 38.1 | -172.6 | -64.3 | -33 | 0 | 0 | 0 | 114.4 | N206 | N206-D208 PolarHBondContact O-N 3.27Å; N206-D208 VanDerWaalsContact O-N 3.14Å |
| 209 | S | 56.2 | Low | 81 | Confident | 75 Ų | 75 | 57 Ų | 57 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 108.8 | -2 | 153.9 | 78.5 | 0 | 0 | 0 | 0 | 120.7 | ||
| 210 | H | 65.2 | Low | 81 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 17% | 0.167 | 35% | 0.353 | C | S | . | . | trans | -140.4 | 116.6 | 176 | -61.1 | -71.5 | 0 | 0 | 0 | 111.9 | K172 N206 | K172-H210 PolarHBondContact NZ-NE2 3.05Å; K172-H210 VanDerWaalsContact NZ-NE2 3.16Å; N206-H210 WeakPolarHBondContact CB-O 3.47Å | ||
| 211 | A | 77.4 | Confident | 80.7 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 19% | 0.19 | 37% | 0.368 | C | S | . | . | trans | -68.7 | 132.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V203 T204 | V203-A211 HydrophobicContact CG1-CB 3.74Å; T204-A211 WeakPolarHBondContact O-CA 3.09Å | ||
| 212 | S | 84.6 | Confident | 80.7 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.1 | -179 | -96.4 | 0 | 0 | 0 | 0 | 111.3 | V203 T204 L227 | V203-S212 WeakPolarHBondContact CA-O 3.27Å; T204-S212 PolarHBondContact N-O 2.91Å; T204-S212 VanDerWaalsContact N-O 3.07Å; T204-S212 PolarHBondContact O-N 3.22Å; T204-S212 PolarHBondContact OG1-O 3.5Å; S212-L227 CarbonylContact C-O 3.45Å; S212-L227 WeakPolarHBondContact CA-O 3.5Å; S212-L227 WeakPolarHBondContact CB-O 3.24Å; S212-L227 PolarHBondContact OG-O 3.28Å |
| 213 | L | 90 | Very high | 80.8 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.6 | 175.2 | -176.5 | 65.8 | 0 | 0 | 0 | 108.5 | P146 I147 I168 L184 F201 V203 V226 L227 | P146-L213 HydrophobicContact CG-CD1 4.47Å; P146-L213 HydrophobicContact CG-CD2 4.13Å; I147-L213 HydrophobicContact CD1-CD1 4.45Å; I147-L213 HydrophobicContact CG1-CD1 4.49Å; I168-L213 HydrophobicContact CD1-CB 3.89Å; L184-L213 HydrophobicContact CD2-CD2 4.2Å; F201-L213 HydrophobicContact CB-CD1 4.39Å; F201-L213 HydrophobicContact CD1-CD1 4.43Å; F201-L213 HydrophobicContact CD1-CG 4.43Å; V203-L213 HydrophobicContact CG2-CD1 3.91Å; L213-V226 HydrophobicContact CB-CB 4.3Å; L213-V226 HydrophobicContact CD2-CB 4.15Å; L213-V226 HydrophobicContact CD2-CG1 4.12Å; L213-V226 HydrophobicContact CG-CB 4.15Å; L213-V226 HydrophobicContact CG-CG2 4.45Å; L213-V226 WeakPolarHBondContact O-CB 3.41Å; L213-V226 PolarHBondContact O-N 2.97Å; L213-L227 HydrophobicContact CB-CB 3.99Å; L213-L227 HydrophobicContact CB-CD1 4.35Å; L213-L227 HydrophobicContact CD2-CD1 4.23Å; L213-L227 PolarHBondContact N-O 3.15Å; L213-L227 PolarHBondContact O-N 3.25Å |
| 214 | M | 91.3 | Very high | 80.9 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 152.5 | -179.7 | -54.9 | -168.4 | -43.3 | 0 | 0 | 110.6 | F201 S202 T204 L223 S224 I225 | F201-M214 CarbonylContact C-O 3.45Å; F201-M214 VanDerWaalsContact CA-O 3.27Å; F201-M214 WeakPolarHBondContact CA-O 3.09Å; S202-M214 PolarHBondContact N-O 2.86Å; S202-M214 PolarHBondContact O-N 2.79Å; T204-M214 HydrophobicContact CG2-CE 3.24Å; T204-M214 HydrophobicContact CG2-SD 3.66Å; M214-L223 HydrophobicContact CE-CD1 4.43Å; M214-S224 WeakPolarHBondContact CA-O 3.37Å; M214-I225 HydrophobicContact CG-CG1 4.42Å |
| 215 | I | 93.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.8 | 172.7 | -174.5 | 174.3 | 0 | 0 | 0 | 108.2 | R187 L188 P199 F201 Y222 L223 S224 V226 | R187-I215 HydrophobicContact CB-CD1 4.47Å; R187-I215 HydrophobicContact CB-CG2 4.18Å; L188-I215 HydrophobicContact CD2-CD1 3.8Å; L188-I215 HydrophobicContact CG-CD1 4.28Å; P199-I215 HydrophobicContact CB-CD1 3.82Å; P199-I215 HydrophobicContact CB-CG1 3.64Å; P199-I215 HydrophobicContact CG-CD1 3.69Å; P199-I215 HydrophobicContact CG-CG1 4.07Å; F201-I215 HydrophobicContact CD1-CB 4.04Å; F201-I215 HydrophobicContact CD1-CG1 4.35Å; F201-I215 HydrophobicContact CE1-CB 3.84Å; F201-I215 HydrophobicContact CE1-CD1 3.93Å; F201-I215 HydrophobicContact CE1-CG1 3.97Å; F201-I215 HydrophobicContact CE2-CD1 4.3Å; F201-I215 HydrophobicContact CE2-CG1 4.44Å; F201-I215 HydrophobicContact CZ-CB 4.4Å; F201-I215 HydrophobicContact CZ-CD1 3.67Å; F201-I215 HydrophobicContact CZ-CG1 4.03Å; I215-Y222 HydrophobicContact CG2-CE1 3.85Å; I215-L223 WeakPolarHBondContact O-CA 3.24Å; I215-S224 WeakPolarHBondContact CG2-O 3.39Å; I215-S224 PolarHBondContact N-O 2.88Å; I215-S224 PolarHBondContact O-N 2.85Å; I215-V226 HydrophobicContact CB-CG2 4.05Å; I215-V226 HydrophobicContact CG2-CG2 3.93Å |
| 216 | S | 93.7 | Very high | 82.3 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 141.2 | -178.9 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | P199 V200 Y222 | P199-S216 CarbonylContact C-O 3.59Å; V200-S216 PolarHBondContact N-O 3.2Å; V200-S216 PolarHBondContact O-N 2.94Å; V200-S216 PolarHBondContact O-OG 3.25Å; S216-Y222 CarbonylContact C-O 3.59Å; S216-Y222 WeakPolarHBondContact CA-O 3.34Å |
| 217 | C | 94.2 | Very high | 83.4 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.054 | 33% | 0.334 | C | S | . | . | trans | -120.2 | 128.1 | 174.7 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | H191 P199 A219 C220 D221 Y222 | H191-C217 VanDerWaalsContact NE2-CB 3.29Å; H191-C217 WeakPolarHBondContact NE2-CB 3.17Å; H191-C217 PolarHBondContact NE2-SG 3.28Å; P199-C217 HydrophobicContact CB-CB 4.39Å; C217-A219 VanDerWaalsContact C-N 3.26Å; C217-A219 PolarHBondContact O-N 2.89Å; C217-A219 PolarHBondContact SG-N 3.23Å; C217-C220 VanDerWaalsContact SG-SG 3.66Å; C217-D221 WeakPolarHBondContact O-CA 3.46Å; C217-D221 PolarHBondContact O-N 3.45Å; C217-Y222 PolarHBondContact N-O 3.41Å | ||
| 218 | Q | 89.8 | Confident | 84.8 | Confident | 178 Ų | 178 | 55.4 Ų | 55.4 | 83% | 0.832 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.6 | 179.6 | -63.6 | 179.9 | 11.5 | 0 | 0 | 113.2 | ||
| 219 | A | 91.7 | Very high | 86.4 | Confident | 56 Ų | 56 | 51 Ų | 51 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -35.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | H197 C217 | H197-A219 HydrophobicContact CB-CB 3.95Å; H197-A219 WeakPolarHBondContact ND1-CB 3.37Å; C217-A219 VanDerWaalsContact C-N 3.26Å; C217-A219 PolarHBondContact O-N 2.89Å; C217-A219 PolarHBondContact SG-N 3.23Å |
| 220 | C | 91.3 | Very high | 88.1 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 37% | 0.365 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 8.3 | -178.3 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | H191 C195 C217 Y222 | H191-C220 PolarHBondContact NE2-SG 2.93Å; H191-C220 VanDerWaalsContact NE2-SG 3.38Å; C195-C220 HydrophobicContact CB-CB 4.08Å; C217-C220 VanDerWaalsContact SG-SG 3.66Å; C220-Y222 PolarHBondContact O-N 3.37Å; C220-Y222 VanDerWaalsContact SG-CB 3.52Å |
| 221 | D | 87.9 | Confident | 89.5 | Confident | 144 Ų | 144 | 50.5 Ų | 50.5 | 77% | 0.77 | 28% | 0.282 | S | S | * | . | trans | 54.1 | 18.8 | -176.4 | -62.6 | -38.1 | 0 | 0 | 0 | 114.7 | C217 L223 | C217-D221 WeakPolarHBondContact O-CA 3.46Å; C217-D221 PolarHBondContact O-N 3.45Å; D221-L223 PolarHBondContact O-N 2.98Å | ||
| 222 | Y | 91.9 | Very high | 90.2 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | -63.7 | 128.5 | 174.9 | -179.4 | -95.2 | 0 | 0 | 0 | 109.7 | E190 H191 I215 S216 C217 C220 S224 | E190-Y222 HydrophobicContact CG-CE2 4.08Å; E190-Y222 PolarHBondContact OE2-OH 3.16Å; H191-Y222 HydrophobicContact CB-CD1 4.03Å; H191-Y222 HydrophobicContact CB-CE1 4.03Å; H191-Y222 HydrophobicContact CB-CG 4.4Å; H191-Y222 AromaticContact CD2-CD1 3.89Å; H191-Y222 AromaticContact CD2-CG 3.91Å; I215-Y222 HydrophobicContact CG2-CE1 3.85Å; S216-Y222 CarbonylContact C-O 3.59Å; S216-Y222 WeakPolarHBondContact CA-O 3.34Å; C217-Y222 PolarHBondContact N-O 3.41Å; C220-Y222 PolarHBondContact O-N 3.37Å; C220-Y222 VanDerWaalsContact SG-CB 3.52Å; Y222-S224 WeakPolarHBondContact OH-CB 3.23Å | ||
| 223 | L | 92.1 | Very high | 90.6 | Very high | 115 Ų | 115 | 54.7 Ų | 54.7 | 60% | 0.602 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 125.5 | 177.1 | 176.4 | 68.3 | 0 | 0 | 0 | 108.9 | M214 I215 D221 | M214-L223 HydrophobicContact CE-CD1 4.43Å; I215-L223 WeakPolarHBondContact O-CA 3.24Å; D221-L223 PolarHBondContact O-N 2.98Å |
| 224 | S | 91.3 | Very high | 90.6 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 155 | 178.4 | -165.8 | 0 | 0 | 0 | 0 | 112.3 | R187 M214 I215 Y222 | R187-S224 WeakPolarHBondContact CD-OG 3.17Å; R187-S224 PolarHBondContact NE-OG 3.23Å; R187-S224 VanDerWaalsContact NE-OG 3.15Å; M214-S224 WeakPolarHBondContact CA-O 3.37Å; I215-S224 WeakPolarHBondContact CG2-O 3.39Å; I215-S224 PolarHBondContact N-O 2.88Å; I215-S224 PolarHBondContact O-N 2.85Å; Y222-S224 WeakPolarHBondContact OH-CB 3.23Å |
| 225 | I | 89.3 | Confident | 90.6 | Very high | 101 Ų | 101 | 60 Ų | 60 | 52% | 0.518 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.6 | 174.9 | -58.1 | 172.6 | 0 | 0 | 0 | 107.8 | R187 M214 | R187-I225 PolarHBondContact NE-O 3.41Å; M214-I225 HydrophobicContact CG-CG1 4.42Å |
| 226 | V | 87.8 | Confident | 90.3 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | trans | -91.2 | -46.2 | 176.2 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | L183 L184 R187 F201 L213 I215 | L183-V226 HydrophobicContact CB-CG1 4.12Å; L184-V226 HydrophobicContact CD2-CG1 3.76Å; L184-V226 HydrophobicContact CG-CG1 4.09Å; R187-V226 HydrophobicContact CG-CG2 4.35Å; F201-V226 HydrophobicContact CD1-CG2 4.4Å; F201-V226 HydrophobicContact CE1-CG2 4.06Å; L213-V226 HydrophobicContact CB-CB 4.3Å; L213-V226 HydrophobicContact CD2-CB 4.15Å; L213-V226 HydrophobicContact CD2-CG1 4.12Å; L213-V226 HydrophobicContact CG-CB 4.15Å; L213-V226 HydrophobicContact CG-CG2 4.45Å; L213-V226 WeakPolarHBondContact O-CB 3.41Å; L213-V226 PolarHBondContact O-N 2.97Å; I215-V226 HydrophobicContact CB-CG2 4.05Å; I215-V226 HydrophobicContact CG2-CG2 3.93Å | ||
| 227 | L | 83.1 | Confident | 90 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | trans | -136 | 0 | -179.7 | -73.7 | 167.8 | 0 | 0 | 0 | 111.7 | I160 I168 R173 I175 L180 L183 S212 L213 | I160-L227 HydrophobicContact CD1-CD1 3.68Å; I168-L227 HydrophobicContact CD1-CD1 4.42Å; R173-L227 PolarHBondContact NH1-OXT 3.16Å; I175-L227 HydrophobicContact CD1-CD2 3.55Å; I175-L227 HydrophobicContact CG1-CD2 4.07Å; I175-L227 HydrophobicContact CG2-CD2 4.12Å; L180-L227 HydrophobicContact CD1-CD1 3.32Å; L180-L227 HydrophobicContact CD1-CD2 4.24Å; L180-L227 HydrophobicContact CD1-CG 3.84Å; L180-L227 HydrophobicContact CD2-CD1 4.5Å; L180-L227 HydrophobicContact CG-CD1 4.47Å; L183-L227 HydrophobicContact CD1-CD2 3.92Å; S212-L227 CarbonylContact C-O 3.45Å; S212-L227 WeakPolarHBondContact CA-O 3.5Å; S212-L227 WeakPolarHBondContact CB-O 3.24Å; S212-L227 PolarHBondContact OG-O 3.28Å; L213-L227 HydrophobicContact CB-CB 3.99Å; L213-L227 HydrophobicContact CB-CD1 4.35Å; L213-L227 HydrophobicContact CD2-CD1 4.23Å; L213-L227 PolarHBondContact N-O 3.15Å; L213-L227 PolarHBondContact O-N 3.25Å |
Retrieved 227 of 227 residues in 35.8 ms
(Link to these results)