| 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 | 43.4 | Very low | 55.8 | Low | 248 Ų | 248 | 106 Ų | 106 | 100% | 1.222 | 64% | 0.638 | S | S | * | * | 0 | 97.8 | 0 | -79.2 | 169.2 | 166.9 | 0 | 0 | 107.6 | |||||
| 2 | A | 45.8 | Very low | 56.1 | Low | 105 Ų | 105 | 108.8 Ų | 108.8 | 87% | 0.868 | 63% | 0.63 | S | S | * | * | trans | -85.8 | 115.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S4 | A2-S4 PolarHBondContact O-N 2.79Š| ||
| 3 | G | 49.3 | Very low | 56.5 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 62% | 0.619 | 62% | 0.623 | S | S | * | * | trans | -65.1 | 128.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | S | 53.8 | Low | 56.6 | Low | 61 Ų | 61 | 108.2 Ų | 108.2 | 43% | 0.427 | 62% | 0.618 | S | S | . | * | trans | -59.5 | 131.1 | -178.5 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | A2 T6 C7 | A2-S4 PolarHBondContact O-N 2.79Å; S4-T6 PolarHBondContact O-N 3.27Å; S4-T6 VanDerWaalsContact O-N 3.08Å; S4-T6 PolarHBondContact OG-OG1 3.18Å; S4-C7 PolarHBondContact O-N 2.89Å; S4-C7 VanDerWaalsContact O-N 3.11Å | ||
| 5 | P | 59.2 | Low | 56.2 | Low | 100 Ų | 100 | 113.4 Ų | 113.4 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.4 | -16.7 | 179.9 | 25.1 | -32.8 | 0 | 0 | 0 | 113.1 | C7 T9 | P5-C7 VanDerWaalsContact C-N 3.31Å; P5-C7 PolarHBondContact O-N 2.89Å; P5-T9 PolarHBondContact O-N 3.06Å |
| 6 | T | 57.8 | Low | 55.8 | Low | 88 Ų | 88 | 113.9 Ų | 113.9 | 54% | 0.54 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69.8 | -23.9 | 176 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | S4 T9 L10 | S4-T6 PolarHBondContact O-N 3.27Å; S4-T6 VanDerWaalsContact O-N 3.08Å; S4-T6 PolarHBondContact OG-OG1 3.18Å; T6-T9 PolarHBondContact O-OG1 2.93Å; T6-T9 VanDerWaalsContact O-OG1 3.06Å; T6-L10 PolarHBondContact O-N 3.02Å |
| 7 | C | 58.4 | Low | 55.4 | Low | 73 Ų | 73 | 115 Ų | 115 | 49% | 0.493 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -75.8 | -39.5 | 178.3 | -164.9 | 0 | 0 | 0 | 0 | 111 | S4 P5 L10 I11 | S4-C7 PolarHBondContact O-N 2.89Å; S4-C7 VanDerWaalsContact O-N 3.11Å; P5-C7 VanDerWaalsContact C-N 3.31Å; P5-C7 PolarHBondContact O-N 2.89Å; C7-L10 PolarHBondContact O-N 3.14Å; C7-I11 WeakPolarHBondContact O-CD1 3.17Å; C7-I11 VanDerWaalsContact O-CG1 3.26Å; C7-I11 WeakPolarHBondContact O-CG1 3.04Å; C7-I11 PolarHBondContact O-N 3.45Å |
| 8 | F | 58.5 | Low | 55 | Low | 142 Ų | 142 | 114.2 Ų | 114.2 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.4 | -35.7 | 178.6 | -69.9 | -75.4 | 0 | 0 | 0 | 112.6 | Y12 | F8-Y12 WeakPolarHBondContact O-CB 3.45Å; F8-Y12 PolarHBondContact O-N 2.89Å |
| 9 | T | 66.9 | Low | 54.3 | Low | 81 Ų | 81 | 111.2 Ų | 111.2 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.5 | -36.1 | 175.9 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | P5 T6 Y12 I13 | P5-T9 PolarHBondContact O-N 3.06Å; T6-T9 PolarHBondContact O-OG1 2.93Å; T6-T9 VanDerWaalsContact O-OG1 3.06Å; T9-Y12 PolarHBondContact O-N 3.4Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.39Å; T9-I13 PolarHBondContact O-N 2.79Å |
| 10 | L | 59.6 | Low | 53.8 | Low | 110 Ų | 110 | 111.4 Ų | 111.4 | 58% | 0.576 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.4 | -38.8 | 176.9 | -129.4 | 126.3 | 0 | 0 | 0 | 112.2 | T6 C7 Y12 I13 L14 | T6-L10 PolarHBondContact O-N 3.02Å; C7-L10 PolarHBondContact O-N 3.14Å; L10-Y12 VanDerWaalsContact C-N 3.33Å; L10-I13 PolarHBondContact O-N 2.8Å; L10-L14 HydrophobicContact CD2-CD1 4.15Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CD1 3.45Å; L10-L14 WeakPolarHBondContact O-CG 3.29Å; L10-L14 PolarHBondContact O-N 2.93Å |
| 11 | I | 61.5 | Low | 53.2 | Low | 98 Ų | 98 | 112.2 Ų | 112.2 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.7 | -40.9 | 172.8 | -67.6 | 163.3 | 0 | 0 | 0 | 110.5 | C7 L14 W15 | C7-I11 WeakPolarHBondContact O-CD1 3.17Å; C7-I11 VanDerWaalsContact O-CG1 3.26Å; C7-I11 WeakPolarHBondContact O-CG1 3.04Å; C7-I11 PolarHBondContact O-N 3.45Å; I11-L14 PolarHBondContact O-N 3.35Å; I11-W15 WeakPolarHBondContact O-CB 3.48Å; I11-W15 PolarHBondContact O-N 2.92Å |
| 12 | Y | 59.2 | Low | 53.1 | Low | 140 Ų | 140 | 104.9 Ų | 104.9 | 55% | 0.549 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66 | -41.9 | 177.8 | -158.7 | -96.3 | 0 | 0 | 0 | 112 | F8 T9 L10 W15 Q16 | F8-Y12 WeakPolarHBondContact O-CB 3.45Å; F8-Y12 PolarHBondContact O-N 2.89Å; T9-Y12 PolarHBondContact O-N 3.4Å; L10-Y12 VanDerWaalsContact C-N 3.33Å; Y12-W15 HydrophobicContact CD2-CE3 4.45Å; Y12-W15 HydrophobicContact CE2-CE3 4.44Å; Y12-W15 PolarHBondContact O-N 3.46Å; Y12-Q16 HydrophobicContact CD1-CG 4.35Å; Y12-Q16 HydrophobicContact CE1-CG 4.34Å; Y12-Q16 WeakPolarHBondContact O-CG 3.39Å; Y12-Q16 PolarHBondContact O-N 2.7Å; Y12-Q16 VanDerWaalsContact O-N 3.07Å |
| 13 | I | 61.1 | Low | 53 | Low | 104 Ų | 104 | 104.8 Ų | 104.8 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.3 | -37.8 | 176.5 | -66.8 | 170.1 | 0 | 0 | 0 | 111.4 | T9 L10 W15 Q16 L17 | T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.39Å; T9-I13 PolarHBondContact O-N 2.79Å; L10-I13 PolarHBondContact O-N 2.8Å; I13-W15 VanDerWaalsContact C-N 3.29Å; I13-W15 PolarHBondContact O-N 2.64Å; I13-Q16 PolarHBondContact O-N 3.02Å; I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 PolarHBondContact O-N 3.23Å |
| 14 | L | 58.3 | Low | 53.5 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 55% | 0.55 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.9 | -33.2 | 172.8 | -78.5 | 162.1 | 0 | 0 | 0 | 112.3 | L10 I11 L17 T18 | L10-L14 HydrophobicContact CD2-CD1 4.15Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CD1 3.45Å; L10-L14 WeakPolarHBondContact O-CG 3.29Å; L10-L14 PolarHBondContact O-N 2.93Å; I11-L14 PolarHBondContact O-N 3.35Å; L14-L17 PolarHBondContact O-N 3.37Å; L14-T18 PolarHBondContact O-N 3.41Å |
| 15 | W | 49.9 | Very low | 54.6 | Low | 186 Ų | 186 | 106.8 Ų | 106.8 | 71% | 0.705 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.3 | -30 | 175.8 | -160.1 | 25.3 | 0 | 0 | 0 | 112.8 | I11 Y12 I13 T18 | I11-W15 WeakPolarHBondContact O-CB 3.48Å; I11-W15 PolarHBondContact O-N 2.92Å; Y12-W15 HydrophobicContact CD2-CE3 4.45Å; Y12-W15 HydrophobicContact CE2-CE3 4.44Å; Y12-W15 PolarHBondContact O-N 3.46Å; I13-W15 VanDerWaalsContact C-N 3.29Å; I13-W15 PolarHBondContact O-N 2.64Å; W15-T18 PolarHBondContact O-OG1 2.99Å |
| 16 | Q | 49.9 | Very low | 56 | Low | 122 Ų | 122 | 105.8 Ų | 105.8 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.7 | -19.6 | 171.2 | -58.8 | -60.6 | -14.2 | 0 | 0 | 113.1 | Y12 I13 | Y12-Q16 HydrophobicContact CD1-CG 4.35Å; Y12-Q16 HydrophobicContact CE1-CG 4.34Å; Y12-Q16 WeakPolarHBondContact O-CG 3.39Å; Y12-Q16 PolarHBondContact O-N 2.7Å; Y12-Q16 VanDerWaalsContact O-N 3.07Å; I13-Q16 PolarHBondContact O-N 3.02Å |
| 17 | L | 48.9 | Very low | 57.6 | Low | 132 Ų | 132 | 106.6 Ų | 106.6 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -89 | -10.5 | 177.5 | -81.9 | 160.4 | 0 | 0 | 0 | 114 | I13 L14 G19 | I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 3.37Å; L17-G19 PolarHBondContact O-N 3.08Å |
| 18 | T | 47.8 | Very low | 59.4 | Low | 101 Ų | 101 | 108.4 Ų | 108.4 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -75.7 | 70.9 | 155.5 | 43.5 | 0 | 0 | 0 | 0 | 108.5 | L14 W15 S20 | L14-T18 PolarHBondContact O-N 3.41Å; W15-T18 PolarHBondContact O-OG1 2.99Å; T18-S20 PolarHBondContact O-N 2.86Å; T18-S20 VanDerWaalsContact O-N 3.15Å |
| 19 | G | 42 | Very low | 61.2 | Low | 56 Ų | 56 | 102.7 Ų | 102.7 | 58% | 0.577 | 59% | 0.588 | S | S | * | * | trans | -47.7 | 123 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L17 T21 | L17-G19 PolarHBondContact O-N 3.08Å; G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.85Å | ||
| 20 | S | 45.2 | Very low | 62.6 | Low | 116 Ų | 116 | 101.9 Ų | 101.9 | 81% | 0.811 | 58% | 0.583 | S | S | * | * | trans | -53.5 | 95.8 | 168.2 | -171.5 | 0 | 0 | 0 | 0 | 107.6 | T18 A22 | T18-S20 PolarHBondContact O-N 2.86Å; T18-S20 VanDerWaalsContact O-N 3.15Å; S20-A22 PolarHBondContact O-N 2.87Å | ||
| 21 | T | 39.9 | Very low | 64.3 | Low | 128 Ų | 128 | 96.9 Ų | 96.9 | 79% | 0.785 | 56% | 0.558 | S | S | * | * | trans | -66.3 | 101.6 | 153.7 | 38.5 | 0 | 0 | 0 | 0 | 103.5 | G19 S23 | G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.85Å; T21-S23 PolarHBondContact O-N 3.3Å | ||
| 22 | A | 41.6 | Very low | 65.9 | Low | 94 Ų | 94 | 93.6 Ų | 93.6 | 78% | 0.777 | 54% | 0.543 | S | S | * | . | trans | -60.9 | 81.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | S20 G24 | S20-A22 PolarHBondContact O-N 2.87Å; A22-G24 PolarHBondContact O-N 3.41Å | ||
| 23 | S | 44.2 | Very low | 67.6 | Low | 104 Ų | 104 | 90.4 Ų | 90.4 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | trans | -68.6 | 91 | 171 | -173.5 | 0 | 0 | 0 | 0 | 105.3 | T21 S25 | T21-S23 PolarHBondContact O-N 3.3Å; S23-S25 PolarHBondContact O-N 3.04Å; S23-S25 VanDerWaalsContact O-N 3.17Å | ||
| 24 | G | 60.4 | Low | 69.3 | Low | 53 Ų | 53 | 88 Ų | 88 | 55% | 0.546 | 54% | 0.537 | S | S | . | . | trans | -49.4 | 125.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A22 V26 | A22-G24 PolarHBondContact O-N 3.41Å; G24-V26 PolarHBondContact O-N 3.47Å | ||
| 25 | S | 75.6 | Confident | 71.1 | Confident | 109 Ų | 109 | 84.1 Ų | 84.1 | 76% | 0.762 | 52% | 0.521 | S | S | * | . | trans | -54.9 | 112.3 | -174.8 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | S23 K27 | S23-S25 PolarHBondContact O-N 3.04Å; S23-S25 VanDerWaalsContact O-N 3.17Å; S25-K27 PolarHBondContact O-N 3.48Å | ||
| 26 | V | 88.8 | Confident | 73.4 | Confident | 80 Ų | 80 | 77.9 Ų | 77.9 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 128.1 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | G24 K119 V121 | G24-V26 PolarHBondContact O-N 3.47Å; V26-K119 HydrophobicContact CG2-CB 4.18Å; V26-V121 HydrophobicContact CG1-CB 4.42Å; V26-V121 HydrophobicContact CG1-CG2 3.51Å |
| 27 | K | 92.6 | Very high | 75.6 | Confident | 105 Ų | 105 | 72.8 Ų | 72.8 | 46% | 0.457 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.2 | -179.8 | -171 | 175.5 | -177.5 | 177.9 | 0 | 111.5 | S25 P40 K119 Y120 V121 | S25-K27 PolarHBondContact O-N 3.48Å; K27-P40 HydrophobicContact CD-CG 4.46Å; K27-K119 PolarHBondContact N-O 3.17Å; K27-Y120 HydrophobicContact CB-CD1 3.87Å; K27-Y120 HydrophobicContact CB-CE1 4.25Å; K27-Y120 HydrophobicContact CD-CD1 4.36Å; K27-Y120 HydrophobicContact CD-CE1 4.13Å; K27-Y120 HydrophobicContact CG-CD1 4.37Å; K27-Y120 CarbonylContact O-C 3.59Å; K27-Y120 WeakPolarHBondContact O-CA 3.4Å; K27-V121 PolarHBondContact O-N 3.06Å |
| 28 | E | 94.8 | Very high | 77.8 | Confident | 111 Ų | 111 | 69.3 Ų | 69.3 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 138.5 | 174.6 | -168.5 | 165.2 | -152.7 | 0 | 0 | 111.3 | V121 R123 | E28-V121 CarbonylContact C-O 3.6Å; E28-V121 WeakPolarHBondContact CA-O 3.26Å; E28-R123 WeakPolarHBondContact OE1-CD 3.22Å; E28-R123 IonicContact OE1-CZ 2.77Å; E28-R123 IonicContact OE1-NE 3.85Å; E28-R123 PolarHBondContact OE1-NE 3.27Å |
| 29 | L | 96.7 | Very high | 80 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 11% | 0.11 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.8 | 174.7 | -63.6 | 176.5 | 0 | 0 | 0 | 108.9 | V37 F39 Y120 V121 L122 R123 | L29-V37 HydrophobicContact CB-CG2 4.09Å; L29-V37 HydrophobicContact CD1-CG2 4.23Å; L29-F39 HydrophobicContact CD1-CB 4.37Å; L29-F39 HydrophobicContact CD1-CD1 3.36Å; L29-F39 HydrophobicContact CD1-CE1 3.76Å; L29-F39 HydrophobicContact CD1-CG 3.94Å; L29-Y120 HydrophobicContact CD1-CD1 3.74Å; L29-Y120 HydrophobicContact CD1-CE1 4.43Å; L29-Y120 HydrophobicContact CD1-CG 4.23Å; L29-Y120 HydrophobicContact CG-CD1 4.16Å; L29-V121 PolarHBondContact N-O 3.2Å; L29-L122 HydrophobicContact CB-CD1 4.11Å; L29-L122 WeakPolarHBondContact O-CA 3.3Å; L29-R123 PolarHBondContact O-N 2.84Å |
| 30 | V | 96.1 | Very high | 82.3 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 39% | 0.394 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.7 | -177.9 | 176 | 0 | 0 | 0 | 0 | 108.4 | R123 Y125 P200 V201 | V30-R123 WeakPolarHBondContact CA-O 3.4Å; V30-Y125 HydrophobicContact CG1-CD2 3.88Å; V30-Y125 HydrophobicContact CG1-CE2 4.11Å; V30-P200 HydrophobicContact CG1-CB 3.62Å; V30-P200 HydrophobicContact CG2-CB 4.16Å; V30-V201 HydrophobicContact CG1-CG1 3.46Å; V30-V201 VanDerWaalsContact CG1-CG1 3.46Å |
| 31 | G | 96.1 | Very high | 84.3 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 157.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R123 V124 Y125 | G31-R123 PolarHBondContact N-O 2.55Å; G31-V124 CarbonylContact O-C 3.57Å; G31-V124 VanDerWaalsContact O-CA 3.31Å; G31-V124 WeakPolarHBondContact O-CA 3.49Å; G31-Y125 PolarHBondContact O-N 2.02Å |
| 32 | S | 95.4 | Very high | 86 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 149.3 | 171.7 | 55.4 | 0 | 0 | 0 | 0 | 111 | G34 G35 L95 Y125 | S32-G34 PolarHBondContact O-N 3.28Å; S32-G35 WeakPolarHBondContact O-CA 3.39Å; S32-G35 PolarHBondContact O-N 2.99Å; S32-L95 WeakPolarHBondContact O-CB 3.46Å; S32-Y125 CarbonylContact C-O 3.57Å; S32-Y125 VanDerWaalsContact CA-O 3.29Å; S32-Y125 WeakPolarHBondContact CA-O 3.31Å |
| 33 | I | 95.1 | Very high | 87.3 | Confident | 73 Ų | 73 | 59 Ų | 59 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 134.5 | 172.3 | -64.6 | 177.8 | 0 | 0 | 0 | 109.7 | G35 K97 V124 Y125 E126 | I33-G35 PolarHBondContact O-N 2.96Å; I33-K97 HydrophobicContact CD1-CB 4.41Å; I33-V124 HydrophobicContact CG1-CG1 3.85Å; I33-Y125 PolarHBondContact N-O 2.88Å; I33-E126 HydrophobicContact CD1-CB 3.88Å; I33-E126 HydrophobicContact CD1-CG 4.18Å |
| 34 | G | 96.4 | Very high | 88.3 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 57% | 0.567 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | -16.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S32 L95 | S32-G34 PolarHBondContact O-N 3.28Å; G34-L95 PolarHBondContact N-O 3.03Å |
| 35 | G | 96.8 | Very high | 88.9 | Confident | 22 Ų | 22 | 62 Ų | 62 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | trans | -75.8 | -163.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S32 I33 S93 K94 L95 | S32-G35 WeakPolarHBondContact O-CA 3.39Å; S32-G35 PolarHBondContact O-N 2.99Å; I33-G35 PolarHBondContact O-N 2.96Å; G35-S93 CarbonylContact O-C 3.6Å; G35-K94 WeakPolarHBondContact O-CA 3.34Å; G35-K94 PolarHBondContact O-N 2.79Å; G35-L95 PolarHBondContact O-N 3.21Å | ||
| 36 | A | 96.8 | Very high | 88.8 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | L92 | A36-L92 CarbonylContact C-O 3.58Å; A36-L92 WeakPolarHBondContact CA-O 3.5Å |
| 37 | V | 96.6 | Very high | 88.5 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.5 | 174.6 | 71.3 | 0 | 0 | 0 | 0 | 109.9 | L29 F39 K91 L92 L95 L122 | L29-V37 HydrophobicContact CB-CG2 4.09Å; L29-V37 HydrophobicContact CD1-CG2 4.23Å; V37-F39 HydrophobicContact CG1-CD2 4.45Å; V37-F39 HydrophobicContact CG1-CE2 3.79Å; V37-F39 HydrophobicContact CG1-CZ 4.08Å; V37-K91 WeakPolarHBondContact O-CA 3.42Å; V37-L92 HydrophobicContact CG1-CB 4.45Å; V37-L92 PolarHBondContact N-O 2.8Å; V37-L92 PolarHBondContact O-N 3.18Å; V37-L95 HydrophobicContact CB-CD1 4.18Å; V37-L95 HydrophobicContact CG1-CD1 4.16Å; V37-L95 HydrophobicContact CG1-CD2 4.26Å; V37-L122 HydrophobicContact CB-CD1 4.4Å; V37-L122 HydrophobicContact CG1-CD1 3.93Å; V37-L122 HydrophobicContact CG1-CD2 4.01Å; V37-L122 HydrophobicContact CG2-CD1 4.3Å |
| 38 | T | 95.4 | Very high | 88.2 | Confident | 58 Ų | 58 | 64 Ų | 64 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.6 | 173.3 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | P40 L90 | T38-P40 WeakPolarHBondContact O-CD 3.14Å; T38-L90 CarbonylContact C-O 3.54Å; T38-L90 WeakPolarHBondContact CA-O 3.45Å |
| 39 | F | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 103.2 | 173.8 | -60.8 | -97.7 | 0 | 0 | 0 | 108.4 | L29 V37 L41 W53 S89 L90 L92 Y103 Y120 L122 | L29-F39 HydrophobicContact CD1-CB 4.37Å; L29-F39 HydrophobicContact CD1-CD1 3.36Å; L29-F39 HydrophobicContact CD1-CE1 3.76Å; L29-F39 HydrophobicContact CD1-CG 3.94Å; V37-F39 HydrophobicContact CG1-CD2 4.45Å; V37-F39 HydrophobicContact CG1-CE2 3.79Å; V37-F39 HydrophobicContact CG1-CZ 4.08Å; F39-L41 PolarHBondContact O-N 2.77Å; F39-W53 HydrophobicContact CB-CH2 3.44Å; F39-W53 VanDerWaalsContact CB-CH2 3.44Å; F39-W53 HydrophobicContact CB-CZ2 4.39Å; F39-W53 HydrophobicContact CB-CZ3 3.72Å; F39-W53 HydrophobicContact CD1-CZ3 4.19Å; F39-W53 HydrophobicContact CG-CH2 4.21Å; F39-W53 AromaticContact CG-CZ3 3.99Å; F39-W53 HydrophobicContact CG-CZ3 3.99Å; F39-S89 WeakPolarHBondContact O-CA 3.29Å; F39-L90 HydrophobicContact CB-CB 4.29Å; F39-L90 HydrophobicContact CD2-CB 4.09Å; F39-L90 HydrophobicContact CD2-CD2 3.9Å; F39-L90 HydrophobicContact CD2-CG 3.94Å; F39-L90 WeakPolarHBondContact CD2-O 3.34Å; F39-L90 HydrophobicContact CE2-CD2 4.12Å; F39-L90 HydrophobicContact CE2-CG 4.43Å; F39-L90 PolarHBondContact N-O 3.3Å; F39-L92 HydrophobicContact CE2-CB 4.05Å; F39-Y103 HydrophobicContact CD1-CG 4.4Å; F39-Y103 AromaticContact CE1-CD1 3.99Å; F39-Y103 HydrophobicContact CE1-CD1 3.99Å; F39-Y103 AromaticContact CE1-CD2 3.66Å; F39-Y103 HydrophobicContact CE1-CD2 3.66Å; F39-Y103 HydrophobicContact CE1-CE2 4.29Å; F39-Y103 AromaticContact CE1-CG 3.49Å; F39-Y103 HydrophobicContact CE1-CG 3.49Å; F39-Y103 VanDerWaalsContact CE1-CG 3.49Å; F39-Y103 HydrophobicContact CE2-CD1 4.4Å; F39-Y103 HydrophobicContact CE2-CE1 4.47Å; F39-Y103 AromaticContact CZ-CD1 3.74Å; F39-Y103 HydrophobicContact CZ-CD1 3.74Å; F39-Y103 AromaticContact CZ-CD2 3.75Å; F39-Y103 HydrophobicContact CZ-CD2 3.75Å; F39-Y103 AromaticContact CZ-CE1 3.91Å; F39-Y103 HydrophobicContact CZ-CE1 3.91Å; F39-Y103 AromaticContact CZ-CE2 3.93Å; F39-Y103 HydrophobicContact CZ-CE2 3.93Å; F39-Y103 AromaticContact CZ-CG 3.65Å; F39-Y103 HydrophobicContact CZ-CG 3.65Å; F39-Y120 HydrophobicContact CB-CE2 4.34Å; F39-Y120 HydrophobicContact CD1-CD1 4.25Å; F39-Y120 AromaticContact CD1-CD2 3.95Å; F39-Y120 HydrophobicContact CD1-CD2 3.95Å; F39-Y120 AromaticContact CD1-CG 3.78Å; F39-Y120 HydrophobicContact CD1-CG 3.78Å; F39-L122 HydrophobicContact CE1-CB 4.47Å; F39-L122 HydrophobicContact CZ-CB 4.46Å; F39-L122 HydrophobicContact CZ-CD2 4.06Å |
| 40 | P | 90.8 | Very high | 87.7 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 26% | 0.26 | 35% | 0.345 | S | S | . | . | trans | -75.6 | 114.4 | -168.2 | 28.7 | -34.5 | 0 | 0 | 0 | 111.1 | K27 T38 R118 Y120 | K27-P40 HydrophobicContact CD-CG 4.46Å; T38-P40 WeakPolarHBondContact O-CD 3.14Å; P40-R118 PolarHBondContact O-NH1 2.94Å; P40-Y120 HydrophobicContact CG-CE1 4.24Å; P40-Y120 PolarHBondContact O-OH 2.88Å | ||
| 41 | L | 87 | Confident | 87.4 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | trans | -103.3 | 111.1 | 175.7 | -157.7 | 59.7 | 0 | 0 | 0 | 109.6 | F39 W53 S89 V105 I107 F116 | F39-L41 PolarHBondContact O-N 2.77Å; L41-W53 HydrophobicContact CD2-CZ2 4.36Å; L41-S89 PolarHBondContact N-OG 3.14Å; L41-V105 HydrophobicContact CD1-CG1 3.72Å; L41-V105 HydrophobicContact CD2-CG2 4.19Å; L41-I107 HydrophobicContact CD1-CD1 4.29Å; L41-I107 HydrophobicContact CD2-CD1 3.75Å; L41-I107 HydrophobicContact CD2-CG1 4.38Å; L41-I107 HydrophobicContact CG-CD1 4.2Å; L41-F116 HydrophobicContact CD1-CE1 4.33Å | ||
| 42 | K | 75.6 | Confident | 87.3 | Confident | 177 Ų | 177 | 59.7 Ų | 59.7 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | trans | -109.5 | 104.2 | 167.1 | -69 | -172.8 | -179.6 | -174.2 | 0 | 105.8 | R118 | K42-R118 PolarHBondContact O-NH2 3Å; K42-R118 VanDerWaalsContact O-NH2 3.08Å | ||
| 43 | S | 67.2 | Low | 87.3 | Confident | 42 Ų | 42 | 58.3 Ų | 58.3 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -113.4 | 129.9 | 177.1 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | V45 | S43-V45 VanDerWaalsContact OG-CB 3.28Å; S43-V45 WeakPolarHBondContact OG-CB 3.31Å; S43-V45 WeakPolarHBondContact OG-CG2 3.47Å; S43-V45 PolarHBondContact OG-N 3.32Å | ||
| 44 | E | 66.9 | Low | 87.2 | Confident | 192 Ų | 192 | 55.8 Ų | 55.8 | 90% | 0.897 | 31% | 0.31 | S | S | * | . | trans | -88.1 | 5.2 | 170.7 | -63.5 | -178.5 | -176.6 | 0 | 0 | 111.6 | K46 | E44-K46 PolarHBondContact O-N 3.09Š| ||
| 45 | V | 72.1 | Confident | 87.2 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | trans | -71.2 | 117 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | S43 Q47 V48 L112 | S43-V45 VanDerWaalsContact OG-CB 3.28Å; S43-V45 WeakPolarHBondContact OG-CB 3.31Å; S43-V45 WeakPolarHBondContact OG-CG2 3.47Å; S43-V45 PolarHBondContact OG-N 3.32Å; V45-Q47 WeakPolarHBondContact CG1-O 3.41Å; V45-V48 HydrophobicContact CB-CG2 4.29Å; V45-V48 HydrophobicContact CG1-CG2 3.97Å; V45-L112 HydrophobicContact CG1-CD1 4.3Å; V45-L112 HydrophobicContact CG2-CD1 3.77Å | ||
| 46 | K | 72.8 | Confident | 87 | Confident | 211 Ų | 211 | 56.7 Ų | 56.7 | 92% | 0.917 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -73.7 | -37.1 | -173.9 | -65.9 | -175.7 | 179.5 | -179.9 | 0 | 113.5 | E44 | E44-K46 PolarHBondContact O-N 3.09Š|
| 47 | Q | 82.4 | Confident | 86.7 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -124.6 | 118.2 | -178.8 | -173.6 | 172.7 | 12.6 | 0 | 0 | 108.7 | V45 S109 | V45-Q47 WeakPolarHBondContact CG1-O 3.41Å; Q47-S109 WeakPolarHBondContact O-CB 3.47Å; Q47-S109 PolarHBondContact O-OG 3.13Å |
| 48 | V | 87.4 | Confident | 86.5 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | trans | -114.2 | 123.1 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | V45 I51 P65 Y88 I107 | V45-V48 HydrophobicContact CB-CG2 4.29Å; V45-V48 HydrophobicContact CG1-CG2 3.97Å; V48-I51 HydrophobicContact CG1-CD1 3.9Å; V48-I51 HydrophobicContact CG1-CG1 3.53Å; V48-P65 HydrophobicContact CB-CG 4.09Å; V48-P65 HydrophobicContact CG1-CG 3.9Å; V48-P65 VanDerWaalsContact O-CG 3.3Å; V48-P65 WeakPolarHBondContact O-CG 3.37Å; V48-Y88 HydrophobicContact CG2-CE2 4.3Å; V48-I107 HydrophobicContact CB-CG2 4.38Å; V48-I107 HydrophobicContact CG1-CG2 3.63Å; V48-I107 HydrophobicContact CG2-CG2 3.91Å | ||
| 49 | D | 89.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -91.9 | -40.5 | -178.6 | -58 | -18.4 | 0 | 0 | 0 | 110.8 | P65 Y108 S110 | D49-P65 WeakPolarHBondContact O-CD 3.37Å; D49-Y108 PolarHBondContact N-O 2.98Å; D49-S110 WeakPolarHBondContact OD2-CB 3.32Å; D49-S110 PolarHBondContact OD2-N 2.71Å; D49-S110 PolarHBondContact OD2-OG 3.47Å |
| 50 | S | 90.8 | Very high | 86.3 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 154.9 | 173.7 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | I63 Y108 | S50-I63 CarbonylContact C-O 3.6Å; S50-I63 WeakPolarHBondContact CA-O 3.42Å; S50-Y108 PolarHBondContact N-O 2.79Å; S50-Y108 PolarHBondContact O-N 2.95Å; S50-Y108 WeakPolarHBondContact OG-CD2 3.14Å |
| 51 | I | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.3 | 176 | -52.5 | 177.4 | 0 | 0 | 0 | 108.6 | V48 T62 I63 Y88 V105 E106 I107 | V48-I51 HydrophobicContact CG1-CD1 3.9Å; V48-I51 HydrophobicContact CG1-CG1 3.53Å; I51-T62 CarbonylContact O-C 3.57Å; I51-T62 WeakPolarHBondContact O-CA 3.43Å; I51-I63 HydrophobicContact CB-CB 4.22Å; I51-I63 PolarHBondContact N-O 3.05Å; I51-I63 PolarHBondContact O-N 2.93Å; I51-Y88 HydrophobicContact CD1-CD1 3.27Å; I51-Y88 HydrophobicContact CD1-CD2 3.41Å; I51-Y88 VanDerWaalsContact CD1-CD2 3.41Å; I51-Y88 HydrophobicContact CD1-CE1 3.77Å; I51-Y88 HydrophobicContact CD1-CE2 3.91Å; I51-Y88 HydrophobicContact CD1-CG 3.04Å; I51-V105 HydrophobicContact CG2-CG2 3.61Å; I51-E106 WeakPolarHBondContact CA-O 3.31Å; I51-I107 HydrophobicContact CG1-CG1 4.44Å; I51-I107 HydrophobicContact CG1-CG2 4.33Å; I51-I107 HydrophobicContact CG2-CG1 4.39Å |
| 52 | V | 93.3 | Very high | 86.6 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 117.5 | 179.2 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | T59 T62 V105 E106 Y108 | V52-T59 HydrophobicContact CG1-CG2 3.95Å; V52-T62 HydrophobicContact CG2-CG2 4.41Å; V52-V105 WeakPolarHBondContact O-CA 3.48Å; V52-E106 PolarHBondContact N-O 2.63Å; V52-E106 PolarHBondContact O-N 2.93Å; V52-Y108 HydrophobicContact CG2-CD2 4.49Å; V52-Y108 HydrophobicContact CG2-CE2 4.08Å |
| 53 | W | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.3 | 168.5 | -74.8 | 89.8 | 0 | 0 | 0 | 109.3 | F39 L41 L60 V61 L90 N104 V105 Y120 | F39-W53 HydrophobicContact CB-CH2 3.44Å; F39-W53 VanDerWaalsContact CB-CH2 3.44Å; F39-W53 HydrophobicContact CB-CZ2 4.39Å; F39-W53 HydrophobicContact CB-CZ3 3.72Å; F39-W53 HydrophobicContact CD1-CZ3 4.19Å; F39-W53 HydrophobicContact CG-CH2 4.21Å; F39-W53 AromaticContact CG-CZ3 3.99Å; F39-W53 HydrophobicContact CG-CZ3 3.99Å; L41-W53 HydrophobicContact CD2-CZ2 4.36Å; W53-L60 HydrophobicContact CB-CB 4.37Å; W53-L60 WeakPolarHBondContact O-CB 3.38Å; W53-L60 PolarHBondContact O-N 2.82Å; W53-V61 HydrophobicContact CB-CB 4.25Å; W53-V61 PolarHBondContact N-O 2.88Å; W53-V61 PolarHBondContact O-N 2.95Å; W53-L90 HydrophobicContact CD2-CB 3.98Å; W53-L90 HydrophobicContact CD2-CD2 3.75Å; W53-L90 HydrophobicContact CD2-CG 4.47Å; W53-L90 HydrophobicContact CE3-CB 4.3Å; W53-L90 HydrophobicContact CE3-CD2 3.7Å; W53-L90 HydrophobicContact CG-CD2 4.11Å; W53-L90 HydrophobicContact CH2-CB 4.02Å; W53-L90 HydrophobicContact CZ2-CB 3.65Å; W53-L90 HydrophobicContact CZ3-CB 4.32Å; W53-L90 HydrophobicContact CZ3-CD2 4.22Å; W53-N104 CarbonylContact C-O 3.53Å; W53-N104 WeakPolarHBondContact CA-O 3.47Å; W53-V105 HydrophobicContact CD2-CB 3.77Å; W53-V105 HydrophobicContact CD2-CG2 3.89Å; W53-V105 HydrophobicContact CE3-CB 3.76Å; W53-V105 HydrophobicContact CE3-CG2 4.39Å; W53-V105 HydrophobicContact CG-CB 4.48Å; W53-V105 HydrophobicContact CG-CG2 4.3Å; W53-V105 HydrophobicContact CH2-CB 3.82Å; W53-V105 HydrophobicContact CH2-CG1 3.86Å; W53-V105 HydrophobicContact CH2-CG2 4.28Å; W53-V105 HydrophobicContact CZ2-CB 3.84Å; W53-V105 HydrophobicContact CZ2-CG1 4.15Å; W53-V105 HydrophobicContact CZ2-CG2 3.78Å; W53-V105 HydrophobicContact CZ3-CB 3.79Å; W53-V105 HydrophobicContact CZ3-CG1 4.1Å; W53-Y120 HydrophobicContact CH2-CD2 4.46Å; W53-Y120 AromaticContact CH2-CE2 3.85Å; W53-Y120 HydrophobicContact CH2-CE2 3.85Å; W53-Y120 HydrophobicContact CZ3-CD2 4.09Å; W53-Y120 AromaticContact CZ3-CE2 3.91Å; W53-Y120 HydrophobicContact CZ3-CE2 3.91Å |
| 54 | T | 94.9 | Very high | 88.2 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.9 | 179.3 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | T58 Y103 N104 | T54-T58 CarbonylContact C-O 3.59Å; T54-T58 WeakPolarHBondContact CA-O 3.21Å; T54-T58 WeakPolarHBondContact CG2-O 3.42Å; T54-Y103 CarbonylContact O-C 3.48Å; T54-Y103 WeakPolarHBondContact O-CA 3.37Å; T54-N104 PolarHBondContact N-O 3.02Å; T54-N104 PolarHBondContact O-N 2.95Å |
| 55 | F | 95.2 | Very high | 88.8 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.8 | 170.2 | 172.4 | -119.8 | 0 | 0 | 0 | 109.4 | T57 T58 L60 Y103 | F55-T57 PolarHBondContact O-N 2.86Å; F55-T58 PolarHBondContact N-O 2.89Å; F55-T58 PolarHBondContact O-N 2.77Å; F55-T58 PolarHBondContact O-OG1 3.31Å; F55-L60 HydrophobicContact CB-CB 4.47Å; F55-Y103 HydrophobicContact CB-CD1 4.24Å; F55-Y103 HydrophobicContact CB-CE1 3.98Å; F55-Y103 HydrophobicContact CD2-CD1 4.14Å; F55-Y103 AromaticContact CD2-CD2 3.91Å; F55-Y103 HydrophobicContact CD2-CD2 3.91Å; F55-Y103 AromaticContact CD2-CE1 3.68Å; F55-Y103 HydrophobicContact CD2-CE1 3.68Å; F55-Y103 AromaticContact CD2-CE2 3.4Å; F55-Y103 HydrophobicContact CD2-CE2 3.4Å; F55-Y103 VanDerWaalsContact CD2-CE2 3.4Å; F55-Y103 HydrophobicContact CD2-CG 4.24Å; F55-Y103 AromaticContact CD2-CZ 3.28Å; F55-Y103 HydrophobicContact CE2-CD2 4.34Å; F55-Y103 AromaticContact CE2-CE2 3.58Å; F55-Y103 HydrophobicContact CE2-CE2 3.58Å; F55-Y103 AromaticContact CE2-CZ 3.68Å; F55-Y103 HydrophobicContact CG-CE1 4.09Å |
| 56 | N | 93.1 | Very high | 89 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -97.2 | -167.6 | -62.6 | -37.4 | 0 | 0 | 0 | 110.6 | I102 | N56-I102 PolarHBondContact N-O 2.79Å; N56-I102 PolarHBondContact OD1-N 2.58Å |
| 57 | T | 90.6 | Very high | 88.6 | Confident | 132 Ų | 132 | 50 Ų | 50 | 81% | 0.81 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | -3.1 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | F55 | F55-T57 PolarHBondContact O-N 2.86Š|
| 58 | T | 92.2 | Very high | 88.1 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.3 | -173.5 | 58 | 0 | 0 | 0 | 0 | 111.3 | T54 F55 L60 Q74 | T54-T58 CarbonylContact C-O 3.59Å; T54-T58 WeakPolarHBondContact CA-O 3.21Å; T54-T58 WeakPolarHBondContact CG2-O 3.42Å; F55-T58 PolarHBondContact N-O 2.89Å; F55-T58 PolarHBondContact O-N 2.77Å; F55-T58 PolarHBondContact O-OG1 3.31Å; T58-L60 PolarHBondContact O-N 3.43Å; T58-Q74 PolarHBondContact OG1-NE2 2.69Å |
| 59 | T | 93.1 | Very high | 87.5 | Confident | 56 Ų | 56 | 49 Ų | 49 | 34% | 0.344 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 129.4 | 171.7 | -50 | 0 | 0 | 0 | 0 | 109.6 | V52 T73 | V52-T59 HydrophobicContact CG1-CG2 3.95Å; T59-T73 VanDerWaalsContact O-CB 3.31Å; T59-T73 WeakPolarHBondContact O-CB 3.46Å; T59-T73 PolarHBondContact O-OG1 3.28Å |
| 60 | L | 92.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -52.8 | -179.8 | -176.6 | 71.1 | 0 | 0 | 0 | 110.4 | W53 F55 T58 T73 N77 L90 Y103 | W53-L60 HydrophobicContact CB-CB 4.37Å; W53-L60 WeakPolarHBondContact O-CB 3.38Å; W53-L60 PolarHBondContact O-N 2.82Å; F55-L60 HydrophobicContact CB-CB 4.47Å; T58-L60 PolarHBondContact O-N 3.43Å; L60-T73 PolarHBondContact O-N 2.6Å; L60-N77 HydrophobicContact CD1-CB 4.24Å; L60-N77 WeakPolarHBondContact CD1-ND2 3.41Å; L60-L90 HydrophobicContact CD2-CD2 3.76Å; L60-Y103 HydrophobicContact CD2-CD1 4.2Å; L60-Y103 HydrophobicContact CD2-CE1 3.89Å |
| 61 | V | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.4 | -178.6 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | W53 I63 M70 I71 V72 V81 F83 L90 | W53-V61 HydrophobicContact CB-CB 4.25Å; W53-V61 PolarHBondContact N-O 2.88Å; W53-V61 PolarHBondContact O-N 2.95Å; V61-I63 HydrophobicContact CG1-CD1 4.48Å; V61-I63 HydrophobicContact CG1-CG1 3.87Å; V61-M70 HydrophobicContact CG1-CG 4.16Å; V61-I71 WeakPolarHBondContact CA-O 3.44Å; V61-V72 HydrophobicContact CG1-CG2 4.31Å; V61-V72 HydrophobicContact CG2-CG2 4.28Å; V61-V81 HydrophobicContact CG2-CG1 3.84Å; V61-V81 HydrophobicContact CG2-CG2 4.38Å; V61-F83 HydrophobicContact CG1-CE2 4.23Å; V61-F83 HydrophobicContact CG1-CZ 4.05Å; V61-F83 HydrophobicContact CG2-CZ 4.48Å; V61-L90 HydrophobicContact CG2-CD1 4.39Å |
| 62 | T | 91.4 | Very high | 86.2 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 26% | 0.258 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.6 | 165.1 | -57.1 | 0 | 0 | 0 | 0 | 109 | I51 V52 I71 | I51-T62 CarbonylContact O-C 3.57Å; I51-T62 WeakPolarHBondContact O-CA 3.43Å; V52-T62 HydrophobicContact CG2-CG2 4.41Å; T62-I71 PolarHBondContact N-O 3.02Å; T62-I71 PolarHBondContact O-N 2.74Å |
| 63 | I | 88.9 | Confident | 85.6 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126 | -179.7 | -46.3 | 174 | 0 | 0 | 0 | 107.7 | S50 I51 V61 M70 F83 Y88 | S50-I63 CarbonylContact C-O 3.6Å; S50-I63 WeakPolarHBondContact CA-O 3.42Å; I51-I63 HydrophobicContact CB-CB 4.22Å; I51-I63 PolarHBondContact N-O 3.05Å; I51-I63 PolarHBondContact O-N 2.93Å; V61-I63 HydrophobicContact CG1-CD1 4.48Å; V61-I63 HydrophobicContact CG1-CG1 3.87Å; I63-M70 HydrophobicContact CG1-CG 4.33Å; I63-F83 HydrophobicContact CD1-CD1 4.16Å; I63-F83 HydrophobicContact CD1-CE1 3.52Å; I63-F83 HydrophobicContact CD1-CE2 4.15Å; I63-F83 HydrophobicContact CD1-CZ 3.51Å; I63-F83 HydrophobicContact CG1-CZ 4.37Å; I63-Y88 HydrophobicContact CD1-CD1 4.47Å; I63-Y88 HydrophobicContact CG2-CD1 4.5Å; I63-Y88 HydrophobicContact CG2-CE1 4.43Å |
| 64 | Q | 87.6 | Confident | 84.9 | Confident | 98 Ų | 98 | 59.2 Ų | 59.2 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | trans | -108.4 | 113.2 | 166.5 | -78.6 | 178.9 | -22.5 | 0 | 0 | 108.3 | G68 | Q64-G68 CarbonylContact O-C 3.53Å; Q64-G68 WeakPolarHBondContact O-CA 3.31Å | ||
| 65 | P | 80.4 | Confident | 84 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -60.2 | 170.1 | 174.1 | -26.6 | 39.4 | 0 | 0 | 0 | 113 | V48 D49 Y88 | V48-P65 HydrophobicContact CB-CG 4.09Å; V48-P65 HydrophobicContact CG1-CG 3.9Å; V48-P65 VanDerWaalsContact O-CG 3.3Å; V48-P65 WeakPolarHBondContact O-CG 3.37Å; D49-P65 WeakPolarHBondContact O-CD 3.37Å; P65-Y88 WeakPolarHBondContact CB-OH 3.28Å; P65-Y88 HydrophobicContact CG-CE1 4.1Å; P65-Y88 VanDerWaalsContact CG-OH 3.29Å; P65-Y88 WeakPolarHBondContact CG-OH 3.5Å |
| 66 | E | 74.9 | Confident | 83.3 | Confident | 183 Ų | 183 | 70 Ų | 70 | 86% | 0.855 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 41.9 | 174.2 | -53.8 | -172.1 | 170.5 | 0 | 0 | 115.8 | G68 | E66-G68 VanDerWaalsContact C-N 3.33Š|
| 67 | G | 65.6 | Low | 82.9 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 90% | 0.897 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 68 | G | 71.5 | Confident | 82.6 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | trans | -67.9 | 161.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q64 E66 | Q64-G68 CarbonylContact O-C 3.53Å; Q64-G68 WeakPolarHBondContact O-CA 3.31Å; E66-G68 VanDerWaalsContact C-N 3.33Å | ||
| 69 | P | 75.2 | Confident | 82.3 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 47% | 0.468 | 39% | 0.385 | S | S | . | . | trans | -69.3 | 142.1 | -179.6 | 29.4 | -35.5 | 0 | 0 | 0 | 111.9 | I71 | P69-I71 HydrophobicContact CB-CD1 4.23Å; P69-I71 HydrophobicContact CB-CG1 3.97Å; P69-I71 HydrophobicContact CG-CD1 4.1Å; P69-I71 HydrophobicContact CG-CG1 4.32Å | ||
| 70 | M | 81.4 | Confident | 82.4 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 50% | 0.498 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 115.6 | 161.6 | -175.1 | 178.5 | 95.8 | 0 | 0 | 108.9 | V61 I63 V72 F83 | V61-M70 HydrophobicContact CG1-CG 4.16Å; I63-M70 HydrophobicContact CG1-CG 4.33Å; M70-V72 HydrophobicContact CE-CG2 4.34Å; M70-F83 HydrophobicContact CE-CD2 4.16Å; M70-F83 HydrophobicContact CE-CE2 4.05Å; M70-F83 HydrophobicContact SD-CD2 3.52Å; M70-F83 VanDerWaalsContact SD-CD2 3.52Å; M70-F83 HydrophobicContact SD-CE2 3.45Å; M70-F83 WeakPolarHBondContact SD-CE2 3.38Å |
| 71 | I | 80.9 | Confident | 82.4 | Confident | 93 Ų | 93 | 69.7 Ų | 69.7 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 111 | -174.2 | -54.2 | 177.4 | 0 | 0 | 0 | 109.2 | V61 T62 P69 | V61-I71 WeakPolarHBondContact CA-O 3.44Å; T62-I71 PolarHBondContact N-O 3.02Å; T62-I71 PolarHBondContact O-N 2.74Å; P69-I71 HydrophobicContact CB-CD1 4.23Å; P69-I71 HydrophobicContact CB-CG1 3.97Å; P69-I71 HydrophobicContact CG-CD1 4.1Å; P69-I71 HydrophobicContact CG-CG1 4.32Å |
| 72 | V | 81.3 | Confident | 82.3 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 10% | 0.097 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 112.9 | 168.3 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | V61 M70 Q74 N77 K78 V81 | V61-V72 HydrophobicContact CG1-CG2 4.31Å; V61-V72 HydrophobicContact CG2-CG2 4.28Å; M70-V72 HydrophobicContact CE-CG2 4.34Å; V72-Q74 PolarHBondContact O-N 3.2Å; V72-N77 HydrophobicContact CG1-CB 4.17Å; V72-K78 HydrophobicContact CB-CG 3.99Å; V72-K78 HydrophobicContact CG1-CG 4.1Å; V72-V81 HydrophobicContact CG2-CG1 4.22Å |
| 73 | T | 81.4 | Confident | 82.1 | Confident | 80 Ų | 80 | 72.9 Ų | 72.9 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -67.5 | -36.8 | -170.7 | -47.2 | 0 | 0 | 0 | 0 | 112.3 | T59 L60 | T59-T73 VanDerWaalsContact O-CB 3.31Å; T59-T73 WeakPolarHBondContact O-CB 3.46Å; T59-T73 PolarHBondContact O-OG1 3.28Å; L60-T73 PolarHBondContact O-N 2.6Å |
| 74 | Q | 78.5 | Confident | 81.7 | Confident | 37 Ų | 37 | 75 Ų | 75 | 17% | 0.173 | 40% | 0.404 | C | S | . | . | trans | -101.4 | 117.5 | -177.5 | -65.1 | -175.8 | 11.3 | 0 | 0 | 111.4 | T58 V72 R76 N77 | T58-Q74 PolarHBondContact OG1-NE2 2.69Å; V72-Q74 PolarHBondContact O-N 3.2Å; Q74-R76 HydrophobicContact CB-CG 4.2Å; Q74-R76 PolarHBondContact O-N 2.96Å; Q74-R76 VanDerWaalsContact O-N 3.14Å; Q74-R76 VanDerWaalsContact OE1-CZ 3.29Å; Q74-N77 PolarHBondContact O-N 3.27Å; Q74-N77 PolarHBondContact OE1-ND2 2.77Å | ||
| 75 | N | 76.9 | Confident | 80.9 | Confident | 123 Ų | 123 | 76.4 Ų | 76.4 | 66% | 0.658 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -54.7 | -38.1 | -176.9 | -136.3 | 28 | 0 | 0 | 0 | 112.7 | N77 K78 | N75-N77 PolarHBondContact O-N 3.39Å; N75-K78 PolarHBondContact O-N 2.94Å; N75-K78 WeakPolarHBondContact OD1-CD 3.43Å; N75-K78 WeakPolarHBondContact OD1-CE 3.46Å; N75-K78 PolarHBondContact OD1-NZ 2.89Å |
| 76 | R | 80.6 | Confident | 80.2 | Confident | 138 Ų | 138 | 78.9 Ų | 78.9 | 52% | 0.521 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -59.3 | -17.8 | 177.2 | 64.9 | 173.9 | 179.8 | 173.8 | 2.9 | 115 | Q74 R80 | Q74-R76 HydrophobicContact CB-CG 4.2Å; Q74-R76 PolarHBondContact O-N 2.96Å; Q74-R76 VanDerWaalsContact O-N 3.14Å; Q74-R76 VanDerWaalsContact OE1-CZ 3.29Å; R76-R80 VanDerWaalsContact O-CD 3.31Å; R76-R80 WeakPolarHBondContact O-CD 3.37Å |
| 77 | N | 84.9 | Confident | 80.4 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -107.2 | -7.3 | -176.8 | -66.2 | -24.2 | 0 | 0 | 0 | 113.1 | L60 V72 Q74 N75 E79 R80 V81 | L60-N77 HydrophobicContact CD1-CB 4.24Å; L60-N77 WeakPolarHBondContact CD1-ND2 3.41Å; V72-N77 HydrophobicContact CG1-CB 4.17Å; Q74-N77 PolarHBondContact O-N 3.27Å; Q74-N77 PolarHBondContact OE1-ND2 2.77Å; N75-N77 PolarHBondContact O-N 3.39Å; N77-E79 VanDerWaalsContact C-N 3.31Å; N77-E79 PolarHBondContact O-N 2.81Å; N77-R80 PolarHBondContact O-N 2.87Å; N77-R80 PolarHBondContact OD1-NH1 3.17Å; N77-V81 HydrophobicContact CB-CG2 4.21Å; N77-V81 WeakPolarHBondContact O-CG2 3.18Å; N77-V81 PolarHBondContact O-N 3.01Å; N77-V81 VanDerWaalsContact O-N 3.08Å |
| 78 | K | 82.9 | Confident | 81.2 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -42 | -176.7 | -78.6 | -172.4 | -179.6 | 169.8 | 0 | 113.6 | V72 N75 R80 | V72-K78 HydrophobicContact CB-CG 3.99Å; V72-K78 HydrophobicContact CG1-CG 4.1Å; N75-K78 PolarHBondContact O-N 2.94Å; N75-K78 WeakPolarHBondContact OD1-CD 3.43Å; N75-K78 WeakPolarHBondContact OD1-CE 3.46Å; N75-K78 PolarHBondContact OD1-NZ 2.89Å; K78-R80 VanDerWaalsContact C-N 3.33Å |
| 79 | E | 87.2 | Confident | 82.1 | Confident | 172 Ų | 172 | 70.7 Ų | 70.7 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.8 | -179.8 | -60.9 | 179.1 | -174 | 0 | 0 | 113.7 | N77 | N77-E79 VanDerWaalsContact C-N 3.31Å; N77-E79 PolarHBondContact O-N 2.81Å |
| 80 | R | 93.9 | Very high | 83 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 6% | 0.057 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -21.1 | -173.4 | -60.7 | 176.1 | 60.5 | -156 | -3.1 | 112.3 | R76 N77 K78 L92 S93 K94 D99 | R76-R80 VanDerWaalsContact O-CD 3.31Å; R76-R80 WeakPolarHBondContact O-CD 3.37Å; N77-R80 PolarHBondContact O-N 2.87Å; N77-R80 PolarHBondContact OD1-NH1 3.17Å; K78-R80 VanDerWaalsContact C-N 3.33Å; R80-L92 HydrophobicContact CB-CD1 4.05Å; R80-L92 CarbonylContact O-C 3.56Å; R80-L92 WeakPolarHBondContact O-CA 3.47Å; R80-S93 PolarHBondContact NE-O 2.94Å; R80-S93 PolarHBondContact NH2-O 2.96Å; R80-S93 PolarHBondContact O-N 2.94Å; R80-S93 PolarHBondContact O-OG 3.39Å; R80-K94 PolarHBondContact NE-O 3.41Å; R80-K94 PolarHBondContact NH2-O 3.32Å; R80-D99 IonicContact CZ-OD1 3.72Å; R80-D99 IonicContact CZ-OD2 3.45Å; R80-D99 IonicContact NH1-OD1 3.04Å; R80-D99 PolarHBondContact NH1-OD1 2.82Å; R80-D99 IonicContact NH1-OD2 3.41Å; R80-D99 PolarHBondContact NH1-OD2 3.14Å; R80-D99 IonicContact NH2-OD1 3.51Å; R80-D99 IonicContact NH2-OD2 2.63Å; R80-D99 PolarHBondContact NH2-OD2 3.33Å |
| 81 | V | 92.4 | Very high | 83.6 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133 | -178 | 162.4 | 0 | 0 | 0 | 0 | 109.6 | V61 V72 N77 F83 L90 K91 L92 | V61-V81 HydrophobicContact CG2-CG1 3.84Å; V61-V81 HydrophobicContact CG2-CG2 4.38Å; V72-V81 HydrophobicContact CG2-CG1 4.22Å; N77-V81 HydrophobicContact CB-CG2 4.21Å; N77-V81 WeakPolarHBondContact O-CG2 3.18Å; N77-V81 PolarHBondContact O-N 3.01Å; N77-V81 VanDerWaalsContact O-N 3.08Å; V81-F83 HydrophobicContact CG1-CD2 4.47Å; V81-F83 HydrophobicContact CG1-CE2 3.64Å; V81-F83 HydrophobicContact CG1-CZ 4.12Å; V81-L90 HydrophobicContact CB-CD1 4.34Å; V81-L90 HydrophobicContact CG1-CD1 3.56Å; V81-L90 HydrophobicContact CG2-CD1 4.17Å; V81-K91 WeakPolarHBondContact CA-O 3.2Å; V81-L92 HydrophobicContact CG2-CD1 3.98Å |
| 82 | D | 90.4 | Very high | 84.3 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 161.9 | 179.1 | -172.8 | 23.6 | 0 | 0 | 0 | 111.1 | K91 | D82-K91 HydrophobicContact CB-CB 4.36Å; D82-K91 PolarHBondContact N-O 3.45Å; D82-K91 WeakPolarHBondContact O-CB 3.49Å; D82-K91 PolarHBondContact O-N 3.03Å |
| 83 | F | 87.6 | Confident | 85.1 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | trans | -134 | 79.8 | -178.2 | -64.8 | -84.8 | 0 | 0 | 0 | 110.1 | V61 I63 M70 V81 D85 S89 L90 | V61-F83 HydrophobicContact CG1-CE2 4.23Å; V61-F83 HydrophobicContact CG1-CZ 4.05Å; V61-F83 HydrophobicContact CG2-CZ 4.48Å; I63-F83 HydrophobicContact CD1-CD1 4.16Å; I63-F83 HydrophobicContact CD1-CE1 3.52Å; I63-F83 HydrophobicContact CD1-CE2 4.15Å; I63-F83 HydrophobicContact CD1-CZ 3.51Å; I63-F83 HydrophobicContact CG1-CZ 4.37Å; M70-F83 HydrophobicContact CE-CD2 4.16Å; M70-F83 HydrophobicContact CE-CE2 4.05Å; M70-F83 HydrophobicContact SD-CD2 3.52Å; M70-F83 VanDerWaalsContact SD-CD2 3.52Å; M70-F83 HydrophobicContact SD-CE2 3.45Å; M70-F83 WeakPolarHBondContact SD-CE2 3.38Å; V81-F83 HydrophobicContact CG1-CD2 4.47Å; V81-F83 HydrophobicContact CG1-CE2 3.64Å; V81-F83 HydrophobicContact CG1-CZ 4.12Å; F83-D85 PolarHBondContact O-N 2.86Å; F83-S89 WeakPolarHBondContact CD1-O 2.99Å; F83-L90 HydrophobicContact CE1-CB 4.01Å; F83-L90 HydrophobicContact CE1-CD1 3.96Å; F83-L90 HydrophobicContact CE2-CD1 4.31Å; F83-L90 HydrophobicContact CZ-CB 4.5Å; F83-L90 HydrophobicContact CZ-CD1 3.63Å | ||
| 84 | P | 79.4 | Confident | 85.8 | Confident | 59 Ų | 59 | 64 Ų | 64 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -26.6 | -160.2 | 26 | -35.3 | 0 | 0 | 0 | 115.7 | K91 | P84-K91 HydrophobicContact CG-CB 4.32Å; P84-K91 HydrophobicContact CG-CD 4.22Å |
| 85 | D | 71.9 | Confident | 86.7 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 68% | 0.684 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 14.1 | -166.7 | -57.8 | -38.3 | 0 | 0 | 0 | 113.8 | F83 G87 | F83-D85 PolarHBondContact O-N 2.86Å; D85-G87 PolarHBondContact O-N 2.78Å |
| 86 | G | 65.9 | Low | 87.5 | Confident | 78 Ų | 78 | 62 Ų | 62 | 80% | 0.804 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 65.1 | -6.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 87 | G | 78 | Confident | 88.1 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -89.5 | -161.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D85 | D85-G87 PolarHBondContact O-N 2.78Š|
| 88 | Y | 83.7 | Confident | 88.5 | Confident | 76 Ų | 76 | 64.3 Ų | 64.3 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -110.6 | 17.9 | -171.5 | -52.6 | -65.4 | 0 | 0 | 0 | 113.7 | V48 I51 I63 P65 L90 | V48-Y88 HydrophobicContact CG2-CE2 4.3Å; I51-Y88 HydrophobicContact CD1-CD1 3.27Å; I51-Y88 HydrophobicContact CD1-CD2 3.41Å; I51-Y88 VanDerWaalsContact CD1-CD2 3.41Å; I51-Y88 HydrophobicContact CD1-CE1 3.77Å; I51-Y88 HydrophobicContact CD1-CE2 3.91Å; I51-Y88 HydrophobicContact CD1-CG 3.04Å; I63-Y88 HydrophobicContact CD1-CD1 4.47Å; I63-Y88 HydrophobicContact CG2-CD1 4.5Å; I63-Y88 HydrophobicContact CG2-CE1 4.43Å; P65-Y88 WeakPolarHBondContact CB-OH 3.28Å; P65-Y88 HydrophobicContact CG-CE1 4.1Å; P65-Y88 VanDerWaalsContact CG-OH 3.29Å; P65-Y88 WeakPolarHBondContact CG-OH 3.5Å; Y88-L90 PolarHBondContact O-N 3.08Å |
| 89 | S | 90.2 | Very high | 89.1 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | trans | -70.1 | 116.9 | 172.7 | -67.1 | 0 | 0 | 0 | 0 | 109.4 | F39 L41 F83 | F39-S89 WeakPolarHBondContact O-CA 3.29Å; L41-S89 PolarHBondContact N-OG 3.14Å; F83-S89 WeakPolarHBondContact CD1-O 2.99Å | ||
| 90 | L | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128.7 | 178.4 | 173.4 | 67.2 | 0 | 0 | 0 | 110 | T38 F39 W53 L60 V61 V81 F83 Y88 | T38-L90 CarbonylContact C-O 3.54Å; T38-L90 WeakPolarHBondContact CA-O 3.45Å; F39-L90 HydrophobicContact CB-CB 4.29Å; F39-L90 HydrophobicContact CD2-CB 4.09Å; F39-L90 HydrophobicContact CD2-CD2 3.9Å; F39-L90 HydrophobicContact CD2-CG 3.94Å; F39-L90 WeakPolarHBondContact CD2-O 3.34Å; F39-L90 HydrophobicContact CE2-CD2 4.12Å; F39-L90 HydrophobicContact CE2-CG 4.43Å; F39-L90 PolarHBondContact N-O 3.3Å; W53-L90 HydrophobicContact CD2-CB 3.98Å; W53-L90 HydrophobicContact CD2-CD2 3.75Å; W53-L90 HydrophobicContact CD2-CG 4.47Å; W53-L90 HydrophobicContact CE3-CB 4.3Å; W53-L90 HydrophobicContact CE3-CD2 3.7Å; W53-L90 HydrophobicContact CG-CD2 4.11Å; W53-L90 HydrophobicContact CH2-CB 4.02Å; W53-L90 HydrophobicContact CZ2-CB 3.65Å; W53-L90 HydrophobicContact CZ3-CB 4.32Å; W53-L90 HydrophobicContact CZ3-CD2 4.22Å; L60-L90 HydrophobicContact CD2-CD2 3.76Å; V61-L90 HydrophobicContact CG2-CD1 4.39Å; V81-L90 HydrophobicContact CB-CD1 4.34Å; V81-L90 HydrophobicContact CG1-CD1 3.56Å; V81-L90 HydrophobicContact CG2-CD1 4.17Å; F83-L90 HydrophobicContact CE1-CB 4.01Å; F83-L90 HydrophobicContact CE1-CD1 3.96Å; F83-L90 HydrophobicContact CE2-CD1 4.31Å; F83-L90 HydrophobicContact CZ-CB 4.5Å; F83-L90 HydrophobicContact CZ-CD1 3.63Å; Y88-L90 PolarHBondContact O-N 3.08Å |
| 91 | K | 94.9 | Very high | 89.6 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.6 | 166.3 | -178.4 | -180 | 174 | -172.6 | 0 | 109.4 | V37 V81 D82 P84 | V37-K91 WeakPolarHBondContact O-CA 3.42Å; V81-K91 WeakPolarHBondContact CA-O 3.2Å; D82-K91 HydrophobicContact CB-CB 4.36Å; D82-K91 PolarHBondContact N-O 3.45Å; D82-K91 WeakPolarHBondContact O-CB 3.49Å; D82-K91 PolarHBondContact O-N 3.03Å; P84-K91 HydrophobicContact CG-CB 4.32Å; P84-K91 HydrophobicContact CG-CD 4.22Å |
| 92 | L | 96.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.1 | 174.8 | -175 | 65.9 | 0 | 0 | 0 | 109.8 | A36 V37 F39 R80 V81 L95 D99 Y103 | A36-L92 CarbonylContact C-O 3.58Å; A36-L92 WeakPolarHBondContact CA-O 3.5Å; V37-L92 HydrophobicContact CG1-CB 4.45Å; V37-L92 PolarHBondContact N-O 2.8Å; V37-L92 PolarHBondContact O-N 3.18Å; F39-L92 HydrophobicContact CE2-CB 4.05Å; R80-L92 HydrophobicContact CB-CD1 4.05Å; R80-L92 CarbonylContact O-C 3.56Å; R80-L92 WeakPolarHBondContact O-CA 3.47Å; V81-L92 HydrophobicContact CG2-CD1 3.98Å; L92-L95 HydrophobicContact CB-CD2 4.3Å; L92-L95 HydrophobicContact CD2-CD2 3.72Å; L92-L95 HydrophobicContact CG-CD2 3.82Å; L92-D99 HydrophobicContact CD2-CB 4.27Å; L92-Y103 HydrophobicContact CD2-CE1 4.38Å; L92-Y103 WeakPolarHBondContact CD2-OH 3.39Å |
| 93 | S | 97 | Very high | 90.1 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 166.5 | -173.7 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | G35 R80 L95 | G35-S93 CarbonylContact O-C 3.6Å; R80-S93 PolarHBondContact NE-O 2.94Å; R80-S93 PolarHBondContact NH2-O 2.96Å; R80-S93 PolarHBondContact O-N 2.94Å; R80-S93 PolarHBondContact O-OG 3.39Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 2.8Å |
| 94 | K | 96.5 | Very high | 90.5 | Very high | 129 Ų | 129 | 52.2 Ų | 52.2 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 51.4 | 51.1 | 179.6 | -58.5 | 175.6 | -177.9 | 172.1 | 0 | 110.7 | G35 R80 | G35-K94 WeakPolarHBondContact O-CA 3.34Å; G35-K94 PolarHBondContact O-N 2.79Å; R80-K94 PolarHBondContact NE-O 3.41Å; R80-K94 PolarHBondContact NH2-O 3.32Å |
| 95 | L | 97.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | trans | -57.9 | 143.9 | -173.7 | -69.8 | 174.3 | 0 | 0 | 0 | 112.2 | S32 G34 G35 V37 L92 S93 D99 L122 V124 | S32-L95 WeakPolarHBondContact O-CB 3.46Å; G34-L95 PolarHBondContact N-O 3.03Å; G35-L95 PolarHBondContact O-N 3.21Å; V37-L95 HydrophobicContact CB-CD1 4.18Å; V37-L95 HydrophobicContact CG1-CD1 4.16Å; V37-L95 HydrophobicContact CG1-CD2 4.26Å; L92-L95 HydrophobicContact CB-CD2 4.3Å; L92-L95 HydrophobicContact CD2-CD2 3.72Å; L92-L95 HydrophobicContact CG-CD2 3.82Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 2.8Å; L95-D99 HydrophobicContact CD2-CB 4.44Å; L95-L122 HydrophobicContact CD2-CD2 4.11Å; L95-V124 HydrophobicContact CB-CG1 4.14Å; L95-V124 HydrophobicContact CB-CG2 4.47Å; L95-V124 HydrophobicContact CD1-CG2 4.5Å | ||
| 96 | K | 94.9 | Very high | 92.1 | Very high | 115 Ų | 115 | 45.5 Ų | 45.5 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | trans | -122.9 | 157.4 | 176.1 | -59.5 | 179.6 | -178.2 | -178.1 | 0 | 108.5 | N98 D99 | K96-N98 VanDerWaalsContact CB-OD1 3.31Å; K96-N98 WeakPolarHBondContact CB-OD1 3.33Å; K96-N98 PolarHBondContact O-N 2.85Å; K96-N98 VanDerWaalsContact O-N 3.17Å; K96-D99 WeakPolarHBondContact CA-OD2 3.38Å; K96-D99 WeakPolarHBondContact CB-OD2 3.48Å; K96-D99 PolarHBondContact N-OD2 2.88Å; K96-D99 WeakPolarHBondContact O-CB 3.21Å; K96-D99 PolarHBondContact O-N 2.95Å | ||
| 97 | K | 92.5 | Very high | 93.3 | Very high | 93 Ų | 93 | 41.8 Ų | 41.8 | 40% | 0.404 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -54.7 | -38.6 | -179.5 | -167.7 | 68.7 | 175.5 | -172.4 | 0 | 112.6 | I33 D99 S100 V124 E157 | I33-K97 HydrophobicContact CD1-CB 4.41Å; K97-D99 VanDerWaalsContact C-N 3.26Å; K97-D99 PolarHBondContact O-N 2.91Å; K97-S100 WeakPolarHBondContact O-CB 3.28Å; K97-S100 PolarHBondContact O-N 2.89Å; K97-S100 VanDerWaalsContact O-N 3.14Å; K97-S100 PolarHBondContact O-OG 2.92Å; K97-V124 VanDerWaalsContact CD-O 3.26Å; K97-V124 WeakPolarHBondContact CD-O 3.4Å; K97-V124 WeakPolarHBondContact CE-O 3.26Å; K97-V124 PolarHBondContact NZ-O 2.99Å; K97-E157 IonicContact NZ-OE1 3.88Å; K97-E157 PolarHBondContact NZ-OE1 2.85Å |
| 98 | N | 93.6 | Very high | 94 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 52% | 0.524 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -76.8 | -2.2 | -179.3 | 70.3 | -8.8 | 0 | 0 | 0 | 115.3 | K96 | K96-N98 VanDerWaalsContact CB-OD1 3.31Å; K96-N98 WeakPolarHBondContact CB-OD1 3.33Å; K96-N98 PolarHBondContact O-N 2.85Å; K96-N98 VanDerWaalsContact O-N 3.17Å |
| 99 | D | 95.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -81.3 | -5.5 | 166.7 | -54.9 | -58.8 | 0 | 0 | 0 | 111.2 | R80 L92 L95 K96 K97 G101 Y103 V124 | R80-D99 IonicContact CZ-OD1 3.72Å; R80-D99 IonicContact CZ-OD2 3.45Å; R80-D99 IonicContact NH1-OD1 3.04Å; R80-D99 PolarHBondContact NH1-OD1 2.82Å; R80-D99 IonicContact NH1-OD2 3.41Å; R80-D99 PolarHBondContact NH1-OD2 3.14Å; R80-D99 IonicContact NH2-OD1 3.51Å; R80-D99 IonicContact NH2-OD2 2.63Å; R80-D99 PolarHBondContact NH2-OD2 3.33Å; L92-D99 HydrophobicContact CD2-CB 4.27Å; L95-D99 HydrophobicContact CD2-CB 4.44Å; K96-D99 WeakPolarHBondContact CA-OD2 3.38Å; K96-D99 WeakPolarHBondContact CB-OD2 3.48Å; K96-D99 PolarHBondContact N-OD2 2.88Å; K96-D99 WeakPolarHBondContact O-CB 3.21Å; K96-D99 PolarHBondContact O-N 2.95Å; K97-D99 VanDerWaalsContact C-N 3.26Å; K97-D99 PolarHBondContact O-N 2.91Å; D99-G101 PolarHBondContact O-N 3.04Å; D99-Y103 WeakPolarHBondContact O-CE2 3.32Å; D99-Y103 PolarHBondContact O-OH 3.31Å; D99-V124 HydrophobicContact CB-CG2 4.5Å |
| 100 | S | 95.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 28% | 0.28 | 23% | 0.232 | S | C | . | . | trans | -63.5 | 133.9 | 170.7 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | K97 L122 V124 | K97-S100 WeakPolarHBondContact O-CB 3.28Å; K97-S100 PolarHBondContact O-N 2.89Å; K97-S100 VanDerWaalsContact O-N 3.14Å; K97-S100 PolarHBondContact O-OG 2.92Å; S100-L122 CarbonylContact C-O 3.6Å; S100-L122 WeakPolarHBondContact CA-O 3.36Å; S100-L122 WeakPolarHBondContact CB-O 3.5Å; S100-V124 WeakPolarHBondContact OG-CB 3.36Å; S100-V124 PolarHBondContact OG-N 2.73Å | ||
| 101 | G | 96 | Very high | 93.9 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155 | -166.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D99 L122 | D99-G101 PolarHBondContact O-N 3.04Å; G101-L122 PolarHBondContact N-O 2.94Å; G101-L122 PolarHBondContact O-N 2.81Å |
| 102 | I | 96.9 | Very high | 93.5 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 45% | 0.451 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.2 | -175.8 | -58.2 | 173.3 | 0 | 0 | 0 | 108.9 | N56 Y120 V121 | N56-I102 PolarHBondContact N-O 2.79Å; N56-I102 PolarHBondContact OD1-N 2.58Å; I102-Y120 CarbonylContact C-O 3.58Å; I102-Y120 WeakPolarHBondContact CA-O 3.41Å; I102-V121 HydrophobicContact CG1-CG2 4.37Å |
| 103 | Y | 96.5 | Very high | 93 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.6 | 172 | -70.4 | -103.2 | 0 | 0 | 0 | 108.8 | F39 T54 F55 L60 L92 D99 K119 Y120 L122 | F39-Y103 HydrophobicContact CD1-CG 4.4Å; F39-Y103 AromaticContact CE1-CD1 3.99Å; F39-Y103 HydrophobicContact CE1-CD1 3.99Å; F39-Y103 AromaticContact CE1-CD2 3.66Å; F39-Y103 HydrophobicContact CE1-CD2 3.66Å; F39-Y103 HydrophobicContact CE1-CE2 4.29Å; F39-Y103 AromaticContact CE1-CG 3.49Å; F39-Y103 HydrophobicContact CE1-CG 3.49Å; F39-Y103 VanDerWaalsContact CE1-CG 3.49Å; F39-Y103 HydrophobicContact CE2-CD1 4.4Å; F39-Y103 HydrophobicContact CE2-CE1 4.47Å; F39-Y103 AromaticContact CZ-CD1 3.74Å; F39-Y103 HydrophobicContact CZ-CD1 3.74Å; F39-Y103 AromaticContact CZ-CD2 3.75Å; F39-Y103 HydrophobicContact CZ-CD2 3.75Å; F39-Y103 AromaticContact CZ-CE1 3.91Å; F39-Y103 HydrophobicContact CZ-CE1 3.91Å; F39-Y103 AromaticContact CZ-CE2 3.93Å; F39-Y103 HydrophobicContact CZ-CE2 3.93Å; F39-Y103 AromaticContact CZ-CG 3.65Å; F39-Y103 HydrophobicContact CZ-CG 3.65Å; T54-Y103 CarbonylContact O-C 3.48Å; T54-Y103 WeakPolarHBondContact O-CA 3.37Å; F55-Y103 HydrophobicContact CB-CD1 4.24Å; F55-Y103 HydrophobicContact CB-CE1 3.98Å; F55-Y103 HydrophobicContact CD2-CD1 4.14Å; F55-Y103 AromaticContact CD2-CD2 3.91Å; F55-Y103 HydrophobicContact CD2-CD2 3.91Å; F55-Y103 AromaticContact CD2-CE1 3.68Å; F55-Y103 HydrophobicContact CD2-CE1 3.68Å; F55-Y103 AromaticContact CD2-CE2 3.4Å; F55-Y103 HydrophobicContact CD2-CE2 3.4Å; F55-Y103 VanDerWaalsContact CD2-CE2 3.4Å; F55-Y103 HydrophobicContact CD2-CG 4.24Å; F55-Y103 AromaticContact CD2-CZ 3.28Å; F55-Y103 HydrophobicContact CE2-CD2 4.34Å; F55-Y103 AromaticContact CE2-CE2 3.58Å; F55-Y103 HydrophobicContact CE2-CE2 3.58Å; F55-Y103 AromaticContact CE2-CZ 3.68Å; F55-Y103 HydrophobicContact CG-CE1 4.09Å; L60-Y103 HydrophobicContact CD2-CD1 4.2Å; L60-Y103 HydrophobicContact CD2-CE1 3.89Å; L92-Y103 HydrophobicContact CD2-CE1 4.38Å; L92-Y103 WeakPolarHBondContact CD2-OH 3.39Å; D99-Y103 WeakPolarHBondContact O-CE2 3.32Å; D99-Y103 PolarHBondContact O-OH 3.31Å; Y103-K119 CarbonylContact O-C 3.55Å; Y103-K119 WeakPolarHBondContact O-CA 3.44Å; Y103-Y120 PolarHBondContact N-O 2.89Å; Y103-Y120 PolarHBondContact O-N 2.89Å; Y103-L122 HydrophobicContact CD2-CB 3.99Å; Y103-L122 HydrophobicContact CE2-CB 3.78Å; Y103-L122 HydrophobicContact CE2-CD2 3.91Å; Y103-L122 HydrophobicContact CE2-CG 4.48Å |
| 104 | N | 94.8 | Very high | 92.6 | Very high | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.8 | 175.9 | -169.8 | 51.3 | 0 | 0 | 0 | 109 | W53 T54 E106 I117 R118 K119 | W53-N104 CarbonylContact C-O 3.53Å; W53-N104 WeakPolarHBondContact CA-O 3.47Å; T54-N104 PolarHBondContact N-O 3.02Å; T54-N104 PolarHBondContact O-N 2.95Å; N104-E106 WeakPolarHBondContact ND2-CG 3.29Å; N104-E106 PolarHBondContact ND2-OE1 2.85Å; N104-E106 VanDerWaalsContact ND2-OE1 3.14Å; N104-I117 WeakPolarHBondContact OD1-CG2 3.16Å; N104-R118 PolarHBondContact OD1-O 3.44Å; N104-K119 WeakPolarHBondContact OD1-CG 3.17Å |
| 105 | V | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.9 | 168.6 | 59.6 | 0 | 0 | 0 | 0 | 109.4 | L41 I51 V52 W53 I107 I117 R118 Y120 | L41-V105 HydrophobicContact CD1-CG1 3.72Å; L41-V105 HydrophobicContact CD2-CG2 4.19Å; I51-V105 HydrophobicContact CG2-CG2 3.61Å; V52-V105 WeakPolarHBondContact O-CA 3.48Å; W53-V105 HydrophobicContact CD2-CB 3.77Å; W53-V105 HydrophobicContact CD2-CG2 3.89Å; W53-V105 HydrophobicContact CE3-CB 3.76Å; W53-V105 HydrophobicContact CE3-CG2 4.39Å; W53-V105 HydrophobicContact CG-CB 4.48Å; W53-V105 HydrophobicContact CG-CG2 4.3Å; W53-V105 HydrophobicContact CH2-CB 3.82Å; W53-V105 HydrophobicContact CH2-CG1 3.86Å; W53-V105 HydrophobicContact CH2-CG2 4.28Å; W53-V105 HydrophobicContact CZ2-CB 3.84Å; W53-V105 HydrophobicContact CZ2-CG1 4.15Å; W53-V105 HydrophobicContact CZ2-CG2 3.78Å; W53-V105 HydrophobicContact CZ3-CB 3.79Å; W53-V105 HydrophobicContact CZ3-CG1 4.1Å; V105-I107 HydrophobicContact CG2-CG1 4.39Å; V105-I117 WeakPolarHBondContact O-CA 3.48Å; V105-R118 HydrophobicContact CG1-CB 3.76Å; V105-R118 WeakPolarHBondContact CG1-O 3.26Å; V105-R118 PolarHBondContact N-O 2.98Å; V105-R118 PolarHBondContact O-N 3.2Å; V105-Y120 HydrophobicContact CG1-CE2 4.09Å |
| 106 | E | 93.1 | Very high | 91.9 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 22% | 0.22 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125 | 177.3 | -61.8 | 177.8 | 151.8 | 0 | 0 | 108 | I51 V52 N104 Y108 F116 I117 | I51-E106 WeakPolarHBondContact CA-O 3.31Å; V52-E106 PolarHBondContact N-O 2.63Å; V52-E106 PolarHBondContact O-N 2.93Å; N104-E106 WeakPolarHBondContact ND2-CG 3.29Å; N104-E106 PolarHBondContact ND2-OE1 2.85Å; N104-E106 VanDerWaalsContact ND2-OE1 3.14Å; E106-Y108 HydrophobicContact CB-CE2 3.93Å; E106-Y108 PolarHBondContact OE2-OH 2.95Å; E106-F116 CarbonylContact C-O 3.52Å; E106-F116 WeakPolarHBondContact CA-O 3.39Å; E106-I117 HydrophobicContact CG-CG1 4.25Å; E106-I117 HydrophobicContact CG-CG2 4.44Å |
| 107 | I | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.9 | 177.7 | -52.8 | 177.7 | 0 | 0 | 0 | 107.4 | L41 V48 I51 V105 P115 F116 | L41-I107 HydrophobicContact CD1-CD1 4.29Å; L41-I107 HydrophobicContact CD2-CD1 3.75Å; L41-I107 HydrophobicContact CD2-CG1 4.38Å; L41-I107 HydrophobicContact CG-CD1 4.2Å; V48-I107 HydrophobicContact CB-CG2 4.38Å; V48-I107 HydrophobicContact CG1-CG2 3.63Å; V48-I107 HydrophobicContact CG2-CG2 3.91Å; I51-I107 HydrophobicContact CG1-CG1 4.44Å; I51-I107 HydrophobicContact CG1-CG2 4.33Å; I51-I107 HydrophobicContact CG2-CG1 4.39Å; V105-I107 HydrophobicContact CG2-CG1 4.39Å; I107-P115 CarbonylContact O-C 3.6Å; I107-P115 VanDerWaalsContact O-CA 3.28Å; I107-P115 WeakPolarHBondContact O-CA 3.41Å; I107-F116 HydrophobicContact CB-CB 4.2Å; I107-F116 HydrophobicContact CB-CD1 4.49Å; I107-F116 HydrophobicContact CD1-CD1 3.69Å; I107-F116 HydrophobicContact CD1-CE1 4.32Å; I107-F116 HydrophobicContact CG1-CD1 4.1Å; I107-F116 PolarHBondContact N-O 2.77Å; I107-F116 PolarHBondContact O-N 3.16Å |
| 108 | Y | 91.3 | Very high | 91.7 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 137.5 | 175 | -62.3 | -89.9 | 0 | 0 | 0 | 110 | D49 S50 V52 E106 P115 | D49-Y108 PolarHBondContact N-O 2.98Å; S50-Y108 PolarHBondContact N-O 2.79Å; S50-Y108 PolarHBondContact O-N 2.95Å; S50-Y108 WeakPolarHBondContact OG-CD2 3.14Å; V52-Y108 HydrophobicContact CG2-CD2 4.49Å; V52-Y108 HydrophobicContact CG2-CE2 4.08Å; E106-Y108 HydrophobicContact CB-CE2 3.93Å; E106-Y108 PolarHBondContact OE2-OH 2.95Å; Y108-P115 HydrophobicContact CD1-CB 3.81Å; Y108-P115 HydrophobicContact CD1-CG 4.34Å; Y108-P115 HydrophobicContact CE1-CB 3.71Å; Y108-P115 HydrophobicContact CE1-CG 3.83Å; Y108-P115 HydrophobicContact CG-CB 4.3Å |
| 109 | S | 89.9 | Confident | 91.7 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | trans | -148 | 136 | 179 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | Q47 S111 L112 | Q47-S109 WeakPolarHBondContact O-CB 3.47Å; Q47-S109 PolarHBondContact O-OG 3.13Å; S109-S111 PolarHBondContact O-N 3.22Å; S109-S111 VanDerWaalsContact O-N 3.13Å; S109-S111 PolarHBondContact OG-N 3.13Å; S109-S111 VanDerWaalsContact OG-N 3.09Å; S109-S111 PolarHBondContact OG-OG 2.86Å; S109-L112 PolarHBondContact O-N 2.81Å; S109-L112 VanDerWaalsContact O-O 3.05Å | ||
| 110 | S | 89.2 | Confident | 91.8 | Very high | 101 Ų | 101 | 58.9 Ų | 58.9 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.1 | 171.1 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | D49 | D49-S110 WeakPolarHBondContact OD2-CB 3.32Å; D49-S110 PolarHBondContact OD2-N 2.71Å; D49-S110 PolarHBondContact OD2-OG 3.47Å |
| 111 | S | 86.8 | Confident | 91.8 | Very high | 76 Ų | 76 | 58.6 Ų | 58.6 | 53% | 0.531 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.8 | 174.4 | 72.8 | 0 | 0 | 0 | 0 | 114.3 | S109 | S109-S111 PolarHBondContact O-N 3.22Å; S109-S111 VanDerWaalsContact O-N 3.13Å; S109-S111 PolarHBondContact OG-N 3.13Å; S109-S111 VanDerWaalsContact OG-N 3.09Å; S109-S111 PolarHBondContact OG-OG 2.86Å |
| 112 | L | 84.6 | Confident | 91.9 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | trans | -116.7 | 141.5 | -179.4 | -62.3 | 177.1 | 0 | 0 | 0 | 110.3 | V45 S109 D114 F116 | V45-L112 HydrophobicContact CG1-CD1 4.3Å; V45-L112 HydrophobicContact CG2-CD1 3.77Å; S109-L112 PolarHBondContact O-N 2.81Å; S109-L112 VanDerWaalsContact O-O 3.05Å; L112-D114 WeakPolarHBondContact CB-O 3.41Å; L112-F116 HydrophobicContact CD1-CB 4.28Å | ||
| 113 | Q | 87.1 | Confident | 91.9 | Very high | 195 Ų | 195 | 58.5 Ų | 58.5 | 91% | 0.911 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -74.5 | -37.9 | 174.4 | -172 | 161.7 | 40.5 | 0 | 0 | 111.8 | ||
| 114 | D | 88.1 | Confident | 91.8 | Very high | 122 Ų | 122 | 58.4 Ų | 58.4 | 65% | 0.652 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -119.7 | 148.7 | 176.5 | -67.6 | -67.8 | 0 | 0 | 0 | 110.2 | L112 | L112-D114 WeakPolarHBondContact CB-O 3.41Š|
| 115 | P | 90.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 58 Ų | 58 | 24% | 0.24 | 29% | 0.291 | C | S | . | . | trans | -62.5 | 144.6 | 176.3 | 26.2 | -33.2 | 0 | 0 | 0 | 110.9 | I107 Y108 I117 | I107-P115 CarbonylContact O-C 3.6Å; I107-P115 VanDerWaalsContact O-CA 3.28Å; I107-P115 WeakPolarHBondContact O-CA 3.41Å; Y108-P115 HydrophobicContact CD1-CB 3.81Å; Y108-P115 HydrophobicContact CD1-CG 4.34Å; Y108-P115 HydrophobicContact CE1-CB 3.71Å; Y108-P115 HydrophobicContact CE1-CG 3.83Å; Y108-P115 HydrophobicContact CG-CB 4.3Å; P115-I117 HydrophobicContact CG-CD1 4.46Å; P115-I117 HydrophobicContact CG-CG1 4.39Å; P115-I117 WeakPolarHBondContact O-CG1 3.15Å; P115-I117 PolarHBondContact O-N 3.38Å | ||
| 116 | F | 89.5 | Confident | 91.7 | Very high | 62 Ų | 62 | 62.6 Ų | 62.6 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.2 | 168 | 171.9 | -88.2 | 0 | 0 | 0 | 109 | L41 E106 I107 L112 R118 | L41-F116 HydrophobicContact CD1-CE1 4.33Å; E106-F116 CarbonylContact C-O 3.52Å; E106-F116 WeakPolarHBondContact CA-O 3.39Å; I107-F116 HydrophobicContact CB-CB 4.2Å; I107-F116 HydrophobicContact CB-CD1 4.49Å; I107-F116 HydrophobicContact CD1-CD1 3.69Å; I107-F116 HydrophobicContact CD1-CE1 4.32Å; I107-F116 HydrophobicContact CG1-CD1 4.1Å; I107-F116 PolarHBondContact N-O 2.77Å; I107-F116 PolarHBondContact O-N 3.16Å; L112-F116 HydrophobicContact CD1-CB 4.28Å; F116-R118 HydrophobicContact CE1-CB 3.95Å; F116-R118 HydrophobicContact CZ-CB 4.33Å |
| 117 | I | 90.5 | Very high | 91.6 | Very high | 84 Ų | 84 | 65.9 Ų | 65.9 | 43% | 0.431 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.3 | -175.8 | -51.6 | -176.3 | 0 | 0 | 0 | 110.2 | N104 V105 E106 P115 | N104-I117 WeakPolarHBondContact OD1-CG2 3.16Å; V105-I117 WeakPolarHBondContact O-CA 3.48Å; E106-I117 HydrophobicContact CG-CG1 4.25Å; E106-I117 HydrophobicContact CG-CG2 4.44Å; P115-I117 HydrophobicContact CG-CD1 4.46Å; P115-I117 HydrophobicContact CG-CG1 4.39Å; P115-I117 WeakPolarHBondContact O-CG1 3.15Å; P115-I117 PolarHBondContact O-N 3.38Å |
| 118 | R | 91.7 | Very high | 91.7 | Very high | 70 Ų | 70 | 66.7 Ų | 66.7 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.1 | 169.6 | -172.8 | 173.5 | -73.2 | 177.5 | 4.8 | 111.5 | P40 K42 N104 V105 F116 Y120 | P40-R118 PolarHBondContact O-NH1 2.94Å; K42-R118 PolarHBondContact O-NH2 3Å; K42-R118 VanDerWaalsContact O-NH2 3.08Å; N104-R118 PolarHBondContact OD1-O 3.44Å; V105-R118 HydrophobicContact CG1-CB 3.76Å; V105-R118 WeakPolarHBondContact CG1-O 3.26Å; V105-R118 PolarHBondContact N-O 2.98Å; V105-R118 PolarHBondContact O-N 3.2Å; F116-R118 HydrophobicContact CE1-CB 3.95Å; F116-R118 HydrophobicContact CZ-CB 4.33Å; R118-Y120 HydrophobicContact CB-CE2 4.36Å; R118-Y120 WeakPolarHBondContact CD-OH 3.43Å; R118-Y120 HydrophobicContact CG-CE2 3.82Å |
| 119 | K | 94.7 | Very high | 91.7 | Very high | 105 Ų | 105 | 64.8 Ų | 64.8 | 46% | 0.457 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.7 | -178 | -68.7 | 178.3 | -176.6 | 177.4 | 0 | 111.5 | V26 K27 Y103 N104 | V26-K119 HydrophobicContact CG2-CB 4.18Å; K27-K119 PolarHBondContact N-O 3.17Å; Y103-K119 CarbonylContact O-C 3.55Å; Y103-K119 WeakPolarHBondContact O-CA 3.44Å; N104-K119 WeakPolarHBondContact OD1-CG 3.17Å |
| 120 | Y | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.5 | 174.1 | -54 | -94.9 | 0 | 0 | 0 | 110.6 | K27 L29 F39 P40 W53 I102 Y103 V105 R118 | K27-Y120 HydrophobicContact CB-CD1 3.87Å; K27-Y120 HydrophobicContact CB-CE1 4.25Å; K27-Y120 HydrophobicContact CD-CD1 4.36Å; K27-Y120 HydrophobicContact CD-CE1 4.13Å; K27-Y120 HydrophobicContact CG-CD1 4.37Å; K27-Y120 CarbonylContact O-C 3.59Å; K27-Y120 WeakPolarHBondContact O-CA 3.4Å; L29-Y120 HydrophobicContact CD1-CD1 3.74Å; L29-Y120 HydrophobicContact CD1-CE1 4.43Å; L29-Y120 HydrophobicContact CD1-CG 4.23Å; L29-Y120 HydrophobicContact CG-CD1 4.16Å; F39-Y120 HydrophobicContact CB-CE2 4.34Å; F39-Y120 HydrophobicContact CD1-CD1 4.25Å; F39-Y120 AromaticContact CD1-CD2 3.95Å; F39-Y120 HydrophobicContact CD1-CD2 3.95Å; F39-Y120 AromaticContact CD1-CG 3.78Å; F39-Y120 HydrophobicContact CD1-CG 3.78Å; P40-Y120 HydrophobicContact CG-CE1 4.24Å; P40-Y120 PolarHBondContact O-OH 2.88Å; W53-Y120 HydrophobicContact CH2-CD2 4.46Å; W53-Y120 AromaticContact CH2-CE2 3.85Å; W53-Y120 HydrophobicContact CH2-CE2 3.85Å; W53-Y120 HydrophobicContact CZ3-CD2 4.09Å; W53-Y120 AromaticContact CZ3-CE2 3.91Å; W53-Y120 HydrophobicContact CZ3-CE2 3.91Å; I102-Y120 CarbonylContact C-O 3.58Å; I102-Y120 WeakPolarHBondContact CA-O 3.41Å; Y103-Y120 PolarHBondContact N-O 2.89Å; Y103-Y120 PolarHBondContact O-N 2.89Å; V105-Y120 HydrophobicContact CG1-CE2 4.09Å; R118-Y120 HydrophobicContact CB-CE2 4.36Å; R118-Y120 WeakPolarHBondContact CD-OH 3.43Å; R118-Y120 HydrophobicContact CG-CE2 3.82Å |
| 121 | V | 97.1 | Very high | 92.2 | Very high | 35 Ų | 35 | 64.9 Ų | 64.9 | 21% | 0.212 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.2 | 168 | 174.7 | 0 | 0 | 0 | 0 | 107.3 | V26 K27 E28 L29 I102 R123 | V26-V121 HydrophobicContact CG1-CB 4.42Å; V26-V121 HydrophobicContact CG1-CG2 3.51Å; K27-V121 PolarHBondContact O-N 3.06Å; E28-V121 CarbonylContact C-O 3.6Å; E28-V121 WeakPolarHBondContact CA-O 3.26Å; L29-V121 PolarHBondContact N-O 3.2Å; I102-V121 HydrophobicContact CG1-CG2 4.37Å; V121-R123 HydrophobicContact CG1-CG 4.47Å |
| 122 | L | 97.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.8 | 174.2 | 178 | 59.8 | 0 | 0 | 0 | 109.3 | L29 V37 F39 L95 S100 G101 Y103 V124 | L29-L122 HydrophobicContact CB-CD1 4.11Å; L29-L122 WeakPolarHBondContact O-CA 3.3Å; V37-L122 HydrophobicContact CB-CD1 4.4Å; V37-L122 HydrophobicContact CG1-CD1 3.93Å; V37-L122 HydrophobicContact CG1-CD2 4.01Å; V37-L122 HydrophobicContact CG2-CD1 4.3Å; F39-L122 HydrophobicContact CE1-CB 4.47Å; F39-L122 HydrophobicContact CZ-CB 4.46Å; F39-L122 HydrophobicContact CZ-CD2 4.06Å; L95-L122 HydrophobicContact CD2-CD2 4.11Å; S100-L122 CarbonylContact C-O 3.6Å; S100-L122 WeakPolarHBondContact CA-O 3.36Å; S100-L122 WeakPolarHBondContact CB-O 3.5Å; G101-L122 PolarHBondContact N-O 2.94Å; G101-L122 PolarHBondContact O-N 2.81Å; Y103-L122 HydrophobicContact CD2-CB 3.99Å; Y103-L122 HydrophobicContact CE2-CB 3.78Å; Y103-L122 HydrophobicContact CE2-CD2 3.91Å; Y103-L122 HydrophobicContact CE2-CG 4.48Å; L122-V124 HydrophobicContact CD1-CG2 4.37Å; L122-V124 HydrophobicContact CD2-CG2 4.01Å; L122-V124 HydrophobicContact CG-CG2 3.93Å |
| 123 | R | 95.8 | Very high | 93.1 | Very high | 102 Ų | 102 | 65 Ų | 65 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122 | 166.3 | -62.4 | -170.1 | -173.8 | -92.9 | -6.1 | 110 | E28 L29 V30 G31 V121 Y125 D159 | E28-R123 WeakPolarHBondContact OE1-CD 3.22Å; E28-R123 IonicContact OE1-CZ 2.77Å; E28-R123 IonicContact OE1-NE 3.85Å; E28-R123 PolarHBondContact OE1-NE 3.27Å; L29-R123 PolarHBondContact O-N 2.84Å; V30-R123 WeakPolarHBondContact CA-O 3.4Å; G31-R123 PolarHBondContact N-O 2.55Å; V121-R123 HydrophobicContact CG1-CG 4.47Å; R123-Y125 HydrophobicContact CB-CD2 4.34Å; R123-Y125 HydrophobicContact CB-CE2 3.53Å; R123-Y125 WeakPolarHBondContact CD-OH 3.5Å; R123-D159 IonicContact NH1-OD2 3.62Å |
| 124 | V | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.9 | 177 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | G31 I33 L95 K97 D99 S100 L122 | G31-V124 CarbonylContact O-C 3.57Å; G31-V124 VanDerWaalsContact O-CA 3.31Å; G31-V124 WeakPolarHBondContact O-CA 3.49Å; I33-V124 HydrophobicContact CG1-CG1 3.85Å; L95-V124 HydrophobicContact CB-CG1 4.14Å; L95-V124 HydrophobicContact CB-CG2 4.47Å; L95-V124 HydrophobicContact CD1-CG2 4.5Å; K97-V124 VanDerWaalsContact CD-O 3.26Å; K97-V124 WeakPolarHBondContact CD-O 3.4Å; K97-V124 WeakPolarHBondContact CE-O 3.26Å; K97-V124 PolarHBondContact NZ-O 2.99Å; D99-V124 HydrophobicContact CB-CG2 4.5Å; S100-V124 WeakPolarHBondContact OG-CB 3.36Å; S100-V124 PolarHBondContact OG-N 2.73Å; L122-V124 HydrophobicContact CD1-CG2 4.37Å; L122-V124 HydrophobicContact CD2-CG2 4.01Å; L122-V124 HydrophobicContact CG-CG2 3.93Å |
| 125 | Y | 93.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 147.1 | -177.3 | -68 | -79.2 | 0 | 0 | 0 | 111.9 | V30 G31 S32 I33 R123 D159 N199 P200 V201 | V30-Y125 HydrophobicContact CG1-CD2 3.88Å; V30-Y125 HydrophobicContact CG1-CE2 4.11Å; G31-Y125 PolarHBondContact O-N 2.02Å; S32-Y125 CarbonylContact C-O 3.57Å; S32-Y125 VanDerWaalsContact CA-O 3.29Å; S32-Y125 WeakPolarHBondContact CA-O 3.31Å; I33-Y125 PolarHBondContact N-O 2.88Å; R123-Y125 HydrophobicContact CB-CD2 4.34Å; R123-Y125 HydrophobicContact CB-CE2 3.53Å; R123-Y125 WeakPolarHBondContact CD-OH 3.5Å; Y125-D159 HydrophobicContact CE1-CB 3.98Å; Y125-D159 PolarHBondContact OH-OD2 2.9Å; Y125-N199 HydrophobicContact CD1-CB 4.24Å; Y125-P200 HydrophobicContact CD2-CB 4.2Å; Y125-P200 HydrophobicContact CD2-CG 4.18Å; Y125-P200 HydrophobicContact CE1-CG 4.4Å; Y125-P200 HydrophobicContact CE2-CB 3.97Å; Y125-P200 HydrophobicContact CE2-CG 3.59Å; Y125-V201 VanDerWaalsContact CB-CG2 3.5Å; Y125-V201 HydrophobicContact CD2-CG1 4.27Å; Y125-V201 HydrophobicContact CG-CG2 4.5Å |
| 126 | E | 91.9 | Very high | 93.5 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 156.5 | 166.5 | -165.9 | 169 | -171.8 | 0 | 0 | 110.6 | I33 E157 N199 | I33-E126 HydrophobicContact CD1-CB 3.88Å; I33-E126 HydrophobicContact CD1-CG 4.18Å; E126-E157 VanDerWaalsContact CB-OE1 3.26Å; E126-E157 WeakPolarHBondContact CB-OE1 3.27Å; E126-E157 PolarHBondContact N-OE1 2.87Å; E126-E157 PolarHBondContact N-OE2 2.87Å; E126-N199 PolarHBondContact O-ND2 2.67Å |
| 127 | H | 91.7 | Very high | 93.4 | Very high | 117 Ų | 117 | 61 Ų | 61 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 128.9 | 169.3 | -82.8 | 81.3 | 0 | 0 | 0 | 109.9 | S129 | H127-S129 PolarHBondContact O-N 2.86Š|
| 128 | L | 92.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 126.2 | -178 | -61.6 | 177.4 | 0 | 0 | 0 | 111.2 | M153 V160 V197 N199 S202 N204 | L128-M153 HydrophobicContact CB-CE 3.98Å; L128-M153 HydrophobicContact CD2-CE 4.05Å; L128-V160 HydrophobicContact CD1-CG1 4.13Å; L128-V160 HydrophobicContact CD2-CG2 3.82Å; L128-V197 HydrophobicContact CB-CG2 4.24Å; L128-V197 HydrophobicContact CD1-CB 4.14Å; L128-V197 HydrophobicContact CD1-CG2 3.96Å; L128-N199 HydrophobicContact CD1-CB 4.02Å; L128-N199 HydrophobicContact CG-CB 4.4Å; L128-S202 WeakPolarHBondContact CG-OG 3.31Å; L128-S202 PolarHBondContact N-OG 3.17Å; L128-N204 PolarHBondContact O-ND2 3.04Å |
| 129 | S | 92.6 | Very high | 92.9 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 171.6 | 168.7 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | H127 M153 | H127-S129 PolarHBondContact O-N 2.86Å; S129-M153 VanDerWaalsContact O-CE 3.27Å; S129-M153 WeakPolarHBondContact O-CE 3.17Å |
| 130 | K | 94.3 | Very high | 92.4 | Very high | 108 Ų | 108 | 56.5 Ų | 56.5 | 47% | 0.47 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 124.3 | 179.5 | -175 | 169.3 | 179.4 | 175.6 | 0 | 109.8 | N204 S205 S207 | K130-N204 PolarHBondContact N-ND2 2.88Å; K130-S205 WeakPolarHBondContact CE-O 3.2Å; K130-S205 WeakPolarHBondContact CG-O 3.18Å; K130-S207 VanDerWaalsContact CE-N 3.29Å; K130-S207 WeakPolarHBondContact CE-OG 3.38Å; K130-S207 PolarHBondContact NZ-OG 3.03Å |
| 131 | P | 95.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.032 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 146.9 | -179.4 | 28.3 | -34.8 | 0 | 0 | 0 | 111.1 | C151 M153 V197 | P131-C151 VanDerWaalsContact CB-SG 3.6Å; P131-M153 HydrophobicContact CB-SD 3.75Å; P131-V197 HydrophobicContact CB-CG1 3.91Å; P131-V197 HydrophobicContact CB-CG2 4.24Å; P131-V197 HydrophobicContact CG-CG1 4.15Å; P131-V197 HydrophobicContact CG-CG2 3.95Å |
| 132 | K | 94.4 | Very high | 90.9 | Very high | 108 Ų | 108 | 69 Ų | 69 | 47% | 0.47 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.9 | 172.4 | -70.2 | -178.9 | 173.7 | 178 | 0 | 109.2 | R152 E154 | K132-R152 HydrophobicContact CB-CG 4.26Å; K132-R152 PolarHBondContact N-O 3.36Å; K132-R152 WeakPolarHBondContact O-CG 3.34Å; K132-R152 PolarHBondContact O-N 2.84Å; K132-E154 HydrophobicContact CD-CG 4.36Å; K132-E154 WeakPolarHBondContact CE-OE1 3.45Å; K132-E154 IonicContact NZ-OE1 2.79Å; K132-E154 PolarHBondContact NZ-OE1 2.85Å |
| 133 | V | 95.4 | Very high | 90.1 | Very high | 40 Ų | 40 | 69.8 Ų | 69.8 | 24% | 0.242 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.2 | 174.2 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | L149 T150 W164 C195 I209 | V133-L149 HydrophobicContact CG1-CB 4.16Å; V133-L149 HydrophobicContact CG1-CD2 4.44Å; V133-T150 CarbonylContact C-O 3.58Å; V133-T150 WeakPolarHBondContact CA-O 3.37Å; V133-W164 HydrophobicContact CB-CH2 4.32Å; V133-W164 HydrophobicContact CG1-CH2 3.68Å; V133-W164 HydrophobicContact CG2-CH2 3.65Å; V133-W164 HydrophobicContact CG2-CZ3 4.22Å; V133-C195 HydrophobicContact CG2-CB 4.14Å; V133-I209 HydrophobicContact CB-CD1 3.57Å; V133-I209 HydrophobicContact CG1-CD1 3.53Å; V133-I209 HydrophobicContact CG2-CD1 3.69Å |
| 134 | T | 93.6 | Very high | 89.8 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.4 | 169.5 | 41.4 | 0 | 0 | 0 | 0 | 111.3 | L149 T150 | T134-L149 CarbonylContact O-C 3.55Å; T134-L149 WeakPolarHBondContact O-CA 3.38Å; T134-T150 PolarHBondContact N-O 2.91Å; T134-T150 PolarHBondContact O-N 3.15Å; T134-T150 PolarHBondContact OG1-O 3.27Å |
| 135 | M | 91.2 | Very high | 89.6 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 137.2 | 172.4 | -170 | 171.2 | 68 | 0 | 0 | 109.4 | T147 L149 L214 | M135-T147 HydrophobicContact CG-CG2 3.84Å; M135-T147 WeakPolarHBondContact CG-OG1 3.39Å; M135-T147 HydrophobicContact SD-CG2 3.95Å; M135-L149 HydrophobicContact CB-CD2 4.26Å; M135-L149 HydrophobicContact CG-CD2 4.2Å; M135-L214 HydrophobicContact SD-CB 4.14Å; M135-L214 HydrophobicContact SD-CD2 3.83Å |
| 136 | G | 88.3 | Confident | 89.5 | Confident | 34 Ų | 34 | 69.1 Ų | 69.1 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | trans | -78.3 | -167.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q138 T147 N148 | G136-Q138 PolarHBondContact O-N 3.02Å; G136-T147 PolarHBondContact O-OG1 2.94Å; G136-N148 PolarHBondContact N-O 2.82Å | ||
| 137 | L | 87.1 | Confident | 89.6 | Confident | 172 Ų | 172 | 64.8 Ų | 64.8 | 90% | 0.901 | 35% | 0.347 | S | S | * | . | trans | -58.3 | 136.3 | 172.4 | -72.5 | 164.1 | 0 | 0 | 0 | 110.1 | T147 | L137-T147 PolarHBondContact O-OG1 2.79Š| ||
| 138 | Q | 87.3 | Confident | 89.7 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | trans | -102 | 136.1 | 178.1 | -178.1 | -179.6 | 78.9 | 0 | 0 | 109.5 | G136 N140 C145 L214 | G136-Q138 PolarHBondContact O-N 3.02Å; Q138-N140 WeakPolarHBondContact CG-OD1 3.4Å; Q138-N140 PolarHBondContact OE1-ND2 2.82Å; Q138-C145 PolarHBondContact NE2-SG 2.78Å; Q138-L214 PolarHBondContact NE2-O 3.32Å | ||
| 139 | S | 86.4 | Confident | 89.9 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.8 | 171.8 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | V146 | S139-V146 PolarHBondContact N-O 3.32Å; S139-V146 PolarHBondContact O-N 3Å |
| 140 | N | 84.1 | Confident | 90 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 115.9 | 179.6 | -61.9 | -34.8 | 0 | 0 | 0 | 108.3 | Q138 T144 C145 A218 | Q138-N140 WeakPolarHBondContact CG-OD1 3.4Å; Q138-N140 PolarHBondContact OE1-ND2 2.82Å; N140-T144 WeakPolarHBondContact CA-O 3.38Å; N140-C145 WeakPolarHBondContact OD1-CA 3.02Å; N140-A218 HydrophobicContact CB-CB 3.92Å; N140-A218 WeakPolarHBondContact ND2-CA 3.47Å; N140-A218 VanDerWaalsContact ND2-CB 3.34Å; N140-A218 WeakPolarHBondContact ND2-CB 3.41Å; N140-A218 WeakPolarHBondContact OD1-CB 3.35Å |
| 141 | K | 79.4 | Confident | 90.1 | Very high | 151 Ų | 151 | 56.9 Ų | 56.9 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 125.4 | 176.3 | -67.5 | -173.7 | 179.6 | -178.3 | 0 | 109.1 | G143 T144 | K141-G143 PolarHBondContact O-N 2.95Å; K141-T144 PolarHBondContact N-O 3.12Å; K141-T144 WeakPolarHBondContact O-CB 2.92Å; K141-T144 PolarHBondContact O-N 2.86Å |
| 142 | N | 81.2 | Confident | 89.9 | Confident | 148 Ų | 148 | 62.9 Ų | 62.9 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36.3 | 176.6 | -56.5 | -11.6 | 0 | 0 | 0 | 114.3 | T144 | N142-T144 VanDerWaalsContact C-N 3.25Å; N142-T144 PolarHBondContact O-N 2.77Å |
| 143 | G | 81 | Confident | 89.7 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K141 W186 | K141-G143 PolarHBondContact O-N 2.95Å; G143-W186 PolarHBondContact O-N 2.93Å |
| 144 | T | 89.8 | Confident | 88.9 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.5 | 170.7 | -54.9 | 0 | 0 | 0 | 0 | 110 | N140 K141 N142 V146 | N140-T144 WeakPolarHBondContact CA-O 3.38Å; K141-T144 PolarHBondContact N-O 3.12Å; K141-T144 WeakPolarHBondContact O-CB 2.92Å; K141-T144 PolarHBondContact O-N 2.86Å; N142-T144 VanDerWaalsContact C-N 3.25Å; N142-T144 PolarHBondContact O-N 2.77Å; T144-V146 HydrophobicContact CG2-CG2 4.07Å |
| 145 | C | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 118.2 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 109.5 | Q138 N140 S183 W184 C215 A218 | Q138-C145 PolarHBondContact NE2-SG 2.78Å; N140-C145 WeakPolarHBondContact OD1-CA 3.02Å; C145-S183 WeakPolarHBondContact O-CA 3.3Å; C145-W184 WeakPolarHBondContact CB-O 3.47Å; C145-W184 PolarHBondContact N-O 2.04Å; C145-W184 PolarHBondContact O-N 3.5Å; C145-C215 HydrophobicContact CB-CB 3.49Å; C145-C215 VanDerWaalsContact CB-CB 3.49Å; C145-C215 WeakPolarHBondContact CB-SG 3.29Å; C145-C215 WeakPolarHBondContact SG-CB 3.42Å; C145-C215 CovalentContact SG-SG 2.04Å; C145-C215 PolarHBondContact SG-SG 3.46Å; C145-A218 HydrophobicContact CB-CB 4.25Å |
| 146 | V | 92.6 | Very high | 86.4 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.2 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | S139 T144 I182 | S139-V146 PolarHBondContact N-O 3.32Å; S139-V146 PolarHBondContact O-N 3Å; T144-V146 HydrophobicContact CG2-CG2 4.07Å; V146-I182 WeakPolarHBondContact CA-O 3.49Å |
| 147 | T | 92.1 | Very high | 85.2 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 173.4 | 176.8 | -169.1 | 0 | 0 | 0 | 0 | 110.9 | M135 G136 L137 I182 | M135-T147 HydrophobicContact CG-CG2 3.84Å; M135-T147 WeakPolarHBondContact CG-OG1 3.39Å; M135-T147 HydrophobicContact SD-CG2 3.95Å; G136-T147 PolarHBondContact O-OG1 2.94Å; L137-T147 PolarHBondContact O-OG1 2.79Å; T147-I182 HydrophobicContact CG2-CD1 3.52Å; T147-I182 HydrophobicContact CG2-CG1 3.46Å; T147-I182 VanDerWaalsContact CG2-CG1 3.46Å; T147-I182 PolarHBondContact N-O 3.41Å; T147-I182 VanDerWaalsContact N-O 3.09Å; T147-I182 VanDerWaalsContact O-CG1 3.3Å; T147-I182 WeakPolarHBondContact O-CG1 3.38Å; T147-I182 PolarHBondContact O-N 3.35Å |
| 148 | N | 94.8 | Very high | 84.3 | Confident | 78 Ų | 78 | 66.6 Ų | 66.6 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.7 | 175.2 | -67.4 | -22.3 | 0 | 0 | 0 | 109.6 | G136 I179 P181 | G136-N148 PolarHBondContact N-O 2.82Å; N148-I179 HydrophobicContact CB-CG2 4.08Å; N148-P181 VanDerWaalsContact OD1-CA 3.31Å; N148-P181 WeakPolarHBondContact OD1-CA 3.36Å; N148-P181 WeakPolarHBondContact OD1-CB 3.33Å |
| 149 | L | 95.8 | Very high | 84 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.2 | 168.2 | -57.6 | -177.5 | 0 | 0 | 0 | 109 | V133 T134 M135 W164 I179 L180 I182 F193 L214 | V133-L149 HydrophobicContact CG1-CB 4.16Å; V133-L149 HydrophobicContact CG1-CD2 4.44Å; T134-L149 CarbonylContact O-C 3.55Å; T134-L149 WeakPolarHBondContact O-CA 3.38Å; M135-L149 HydrophobicContact CB-CD2 4.26Å; M135-L149 HydrophobicContact CG-CD2 4.2Å; L149-W164 HydrophobicContact CB-CH2 3.65Å; L149-W164 HydrophobicContact CB-CZ2 3.94Å; L149-W164 HydrophobicContact CB-CZ3 4.34Å; L149-W164 HydrophobicContact CD1-CH2 4.26Å; L149-W164 HydrophobicContact CD1-CZ3 4.17Å; L149-I179 CarbonylContact O-C 3.58Å; L149-I179 VanDerWaalsContact O-CA 3.29Å; L149-I179 WeakPolarHBondContact O-CA 3.45Å; L149-L180 HydrophobicContact CB-CB 4.41Å; L149-L180 PolarHBondContact N-O 3.1Å; L149-L180 PolarHBondContact O-N 2.8Å; L149-I182 HydrophobicContact CD1-CD1 4.38Å; L149-I182 HydrophobicContact CD1-CG2 4.13Å; L149-I182 HydrophobicContact CD2-CD1 4.39Å; L149-I182 HydrophobicContact CG-CD1 4.24Å; L149-I182 HydrophobicContact CG-CG2 4.22Å; L149-F193 HydrophobicContact CD1-CB 3.92Å; L149-F193 HydrophobicContact CD1-CD2 3.85Å; L149-F193 HydrophobicContact CD1-CG 3.92Å; L149-L214 HydrophobicContact CD1-CD1 4.1Å; L149-L214 HydrophobicContact CD2-CD1 3.84Å; L149-L214 HydrophobicContact CD2-CD2 4.4Å |
| 150 | T | 95.9 | Very high | 84.2 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 27% | 0.27 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.9 | 175.7 | -54 | 0 | 0 | 0 | 0 | 109.2 | V133 T134 I179 | V133-T150 CarbonylContact C-O 3.58Å; V133-T150 WeakPolarHBondContact CA-O 3.37Å; T134-T150 PolarHBondContact N-O 2.91Å; T134-T150 PolarHBondContact O-N 3.15Å; T134-T150 PolarHBondContact OG1-O 3.27Å; T150-I179 HydrophobicContact CG2-CG1 4.18Å |
| 151 | C | 95.4 | Very high | 84.7 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.6 | 174.3 | -172 | 0 | 0 | 0 | 0 | 109.5 | P131 Y162 W164 S178 C195 | P131-C151 VanDerWaalsContact CB-SG 3.6Å; C151-Y162 HydrophobicContact CB-CD1 4.09Å; C151-Y162 HydrophobicContact CB-CE1 4.48Å; C151-Y162 WeakPolarHBondContact O-CE1 3.4Å; C151-W164 HydrophobicContact CB-CH2 4.19Å; C151-W164 HydrophobicContact CB-CZ2 3.49Å; C151-W164 VanDerWaalsContact CB-CZ2 3.49Å; C151-S178 PolarHBondContact N-O 2.9Å; C151-C195 HydrophobicContact CB-CB 3.64Å; C151-C195 WeakPolarHBondContact CB-SG 3.05Å; C151-C195 WeakPolarHBondContact SG-CB 3.36Å; C151-C195 CovalentContact SG-SG 2.02Å; C151-C195 PolarHBondContact SG-SG 2.91Å |
| 152 | R | 92.1 | Very high | 85.4 | Confident | 132 Ų | 132 | 64.3 Ų | 64.3 | 50% | 0.498 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.4 | -175.9 | 58.9 | -179.8 | -178.5 | -178.4 | 4.1 | 111.6 | K132 | K132-R152 HydrophobicContact CB-CG 4.26Å; K132-R152 PolarHBondContact N-O 3.36Å; K132-R152 WeakPolarHBondContact O-CG 3.34Å; K132-R152 PolarHBondContact O-N 2.84Å |
| 153 | M | 90.1 | Very high | 86.2 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | trans | -93.5 | 150.2 | 168.2 | -63.7 | -62.5 | -69.5 | 0 | 0 | 109.5 | L128 S129 P131 H155 Y162 V197 | L128-M153 HydrophobicContact CB-CE 3.98Å; L128-M153 HydrophobicContact CD2-CE 4.05Å; S129-M153 VanDerWaalsContact O-CE 3.27Å; S129-M153 WeakPolarHBondContact O-CE 3.17Å; P131-M153 HydrophobicContact CB-SD 3.75Å; M153-H155 WeakPolarHBondContact CB-O 3.44Å; M153-Y162 HydrophobicContact CG-CE1 4.44Å; M153-V197 HydrophobicContact CE-CG2 4.34Å; M153-V197 HydrophobicContact CG-CG1 4.33Å; M153-V197 HydrophobicContact SD-CB 4.22Å; M153-V197 HydrophobicContact SD-CG1 3.94Å; M153-V197 HydrophobicContact SD-CG2 3.7Å | ||
| 154 | E | 79.3 | Confident | 87 | Confident | 119 Ų | 119 | 58.3 Ų | 58.3 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -70.7 | -38.6 | 172.9 | -72.3 | -174.4 | 156.2 | 0 | 0 | 111.9 | K132 | K132-E154 HydrophobicContact CD-CG 4.36Å; K132-E154 WeakPolarHBondContact CE-OE1 3.45Å; K132-E154 IonicContact NZ-OE1 2.79Å; K132-E154 PolarHBondContact NZ-OE1 2.85Å |
| 155 | H | 71.7 | Confident | 87.2 | Confident | 133 Ų | 133 | 62.1 Ų | 62.1 | 62% | 0.616 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -117.5 | 117.8 | 175.4 | -57.1 | 93.2 | 0 | 0 | 0 | 106.9 | M153 | M153-H155 WeakPolarHBondContact CB-O 3.44Š|
| 156 | G | 59.2 | Low | 87.4 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 74% | 0.742 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 118.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 157 | E | 64.6 | Low | 87.3 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 148.5 | 164.3 | -64.5 | -160.5 | 118.7 | 0 | 0 | 110.2 | K97 E126 V160 N199 | K97-E157 IonicContact NZ-OE1 3.88Å; K97-E157 PolarHBondContact NZ-OE1 2.85Å; E126-E157 VanDerWaalsContact CB-OE1 3.26Å; E126-E157 WeakPolarHBondContact CB-OE1 3.27Å; E126-E157 PolarHBondContact N-OE1 2.87Å; E126-E157 PolarHBondContact N-OE2 2.87Å; E157-V160 HydrophobicContact CB-CG2 4.01Å; E157-N199 PolarHBondContact OE2-ND2 3.46Å |
| 158 | E | 66.8 | Low | 86.8 | Confident | 173 Ų | 173 | 63.5 Ų | 63.5 | 81% | 0.808 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 145.8 | 158.6 | -70.5 | 173.3 | 167.8 | 0 | 0 | 108.9 | ||
| 159 | D | 81.3 | Confident | 85.8 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 26.3 | -179.1 | -46.8 | -32.6 | 0 | 0 | 0 | 117.8 | R123 Y125 | R123-D159 IonicContact NH1-OD2 3.62Å; Y125-D159 HydrophobicContact CE1-CB 3.98Å; Y125-D159 PolarHBondContact OH-OD2 2.9Å |
| 160 | V | 90.6 | Very high | 84.5 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | trans | -87.9 | 126.1 | 169.8 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | L128 E157 Y162 V197 | L128-V160 HydrophobicContact CD1-CG1 4.13Å; L128-V160 HydrophobicContact CD2-CG2 3.82Å; E157-V160 HydrophobicContact CB-CG2 4.01Å; V160-Y162 HydrophobicContact CB-CE2 4.11Å; V160-Y162 HydrophobicContact CG1-CD2 4.33Å; V160-Y162 HydrophobicContact CG1-CE2 3.84Å; V160-V197 HydrophobicContact CG1-CB 3.98Å; V160-V197 HydrophobicContact CG1-CG1 4.35Å | ||
| 161 | I | 94.1 | Very high | 83.6 | Confident | 106 Ų | 106 | 72.2 Ų | 72.2 | 54% | 0.544 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.3 | 175.1 | -57.9 | 173.5 | 0 | 0 | 0 | 109.4 | V197 R198 | I161-V197 CarbonylContact O-C 3.53Å; I161-V197 WeakPolarHBondContact O-CA 3.3Å; I161-R198 PolarHBondContact N-O 3.28Å; I161-R198 PolarHBondContact O-N 3.44Å |
| 162 | Y | 95.6 | Very high | 83 | Confident | 50 Ų | 50 | 77.3 Ų | 77.3 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.2 | 176.9 | -65.1 | -102.6 | 0 | 0 | 0 | 110.2 | C151 M153 V160 G177 V197 | C151-Y162 HydrophobicContact CB-CD1 4.09Å; C151-Y162 HydrophobicContact CB-CE1 4.48Å; C151-Y162 WeakPolarHBondContact O-CE1 3.4Å; M153-Y162 HydrophobicContact CG-CE1 4.44Å; V160-Y162 HydrophobicContact CB-CE2 4.11Å; V160-Y162 HydrophobicContact CG1-CD2 4.33Å; V160-Y162 HydrophobicContact CG1-CE2 3.84Å; Y162-G177 VanDerWaalsContact CB-C 3.44Å; Y162-G177 VanDerWaalsContact CB-O 3.31Å; Y162-G177 WeakPolarHBondContact CB-O 3.29Å; Y162-G177 PolarHBondContact O-N 3.11Å; Y162-V197 HydrophobicContact CD1-CG1 3.55Å; Y162-V197 HydrophobicContact CE1-CG1 3.53Å; Y162-V197 HydrophobicContact CG-CG1 4.32Å |
| 163 | T | 97 | Very high | 82.8 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 24% | 0.239 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 133.2 | 176.3 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | H175 C195 T196 | T163-H175 CarbonylContact C-O 3.6Å; T163-H175 WeakPolarHBondContact CA-O 3.31Å; T163-C195 CarbonylContact O-C 3.54Å; T163-T196 PolarHBondContact N-O 3.28Å; T163-T196 PolarHBondContact O-N 3.07Å |
| 164 | W | 97.4 | Very high | 83 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 144.1 | 173.2 | -71.6 | 92.8 | 0 | 0 | 0 | 111.1 | V133 L149 C151 S174 H175 G177 S178 L180 F193 I194 C195 | V133-W164 HydrophobicContact CB-CH2 4.32Å; V133-W164 HydrophobicContact CG1-CH2 3.68Å; V133-W164 HydrophobicContact CG2-CH2 3.65Å; V133-W164 HydrophobicContact CG2-CZ3 4.22Å; L149-W164 HydrophobicContact CB-CH2 3.65Å; L149-W164 HydrophobicContact CB-CZ2 3.94Å; L149-W164 HydrophobicContact CB-CZ3 4.34Å; L149-W164 HydrophobicContact CD1-CH2 4.26Å; L149-W164 HydrophobicContact CD1-CZ3 4.17Å; C151-W164 HydrophobicContact CB-CH2 4.19Å; C151-W164 HydrophobicContact CB-CZ2 3.49Å; C151-W164 VanDerWaalsContact CB-CZ2 3.49Å; W164-S174 VanDerWaalsContact O-CA 3.27Å; W164-S174 WeakPolarHBondContact O-CA 3.38Å; W164-H175 HydrophobicContact CB-CB 4.28Å; W164-H175 PolarHBondContact N-O 3.21Å; W164-H175 PolarHBondContact O-N 3.23Å; W164-G177 VanDerWaalsContact CD1-O 3.22Å; W164-G177 PolarHBondContact NE1-O 3.3Å; W164-S178 PolarHBondContact NE1-O 3.43Å; W164-L180 HydrophobicContact CB-CB 4.47Å; W164-L180 HydrophobicContact CB-CD1 4.3Å; W164-L180 HydrophobicContact CB-CD2 4.07Å; W164-L180 HydrophobicContact CD2-CB 3.74Å; W164-L180 HydrophobicContact CD2-CD2 3.89Å; W164-L180 HydrophobicContact CD2-CG 4.41Å; W164-L180 HydrophobicContact CE3-CB 4.36Å; W164-L180 HydrophobicContact CE3-CD2 3.82Å; W164-L180 HydrophobicContact CG-CB 3.78Å; W164-L180 HydrophobicContact CG-CD1 4.46Å; W164-L180 HydrophobicContact CG-CD2 4.04Å; W164-L180 HydrophobicContact CG-CG 4.32Å; W164-L180 HydrophobicContact CZ2-CB 4.24Å; W164-L180 HydrophobicContact CZ3-CD2 4.49Å; W164-F193 HydrophobicContact CE3-CB 4.34Å; W164-F193 HydrophobicContact CZ3-CB 4.19Å; W164-I194 WeakPolarHBondContact CA-O 2.94Å; W164-C195 HydrophobicContact CD2-CB 3.92Å; W164-C195 HydrophobicContact CE3-CB 3.77Å; W164-C195 HydrophobicContact CH2-CB 3.77Å; W164-C195 HydrophobicContact CZ2-CB 3.94Å; W164-C195 HydrophobicContact CZ3-CB 3.68Å |
| 165 | K | 95.5 | Very high | 83.6 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 50% | 0.496 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.5 | 164.4 | -68.8 | -174.5 | 176.7 | -178.7 | 0 | 109 | F193 I194 | K165-F193 WeakPolarHBondContact O-CA 3.19Å; K165-I194 PolarHBondContact N-O 2.82Å; K165-I194 PolarHBondContact O-N 2.82Å |
| 166 | A | 93.3 | Very high | 84.8 | Confident | 4 Ų | 4 | 75.5 Ų | 75.5 | 3% | 0.033 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | E173 M191 F193 | A166-E173 PolarHBondContact N-O 3.37Å; A166-E173 PolarHBondContact O-N 2.92Å; A166-M191 HydrophobicContact CB-CE 4.29Å; A166-F193 HydrophobicContact CB-CD1 3.89Å; A166-F193 HydrophobicContact CB-CE1 3.93Å |
| 167 | L | 91.6 | Very high | 86.4 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 29% | 0.293 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 146.7 | -178.3 | -51.4 | 174.8 | 0 | 0 | 0 | 109.3 | N172 M191 T192 I194 | L167-N172 HydrophobicContact CD2-CB 4.22Å; L167-M191 CarbonylContact O-C 3.58Å; L167-M191 VanDerWaalsContact O-CA 3.3Å; L167-M191 WeakPolarHBondContact O-CA 3.46Å; L167-T192 PolarHBondContact N-O 3.1Å; L167-T192 PolarHBondContact O-N 2.81Å; L167-I194 HydrophobicContact CD1-CD1 4.01Å |
| 168 | G | 81.1 | Confident | 87.8 | Confident | 39 Ų | 39 | 74.1 Ų | 74.1 | 40% | 0.402 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 109.4 | 1.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S189 | G168-S189 PolarHBondContact O-OG 2.94Š|
| 169 | Q | 73 | Confident | 89.2 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -97.8 | 164.3 | 167.5 | -161.7 | 170 | -9.6 | 0 | 0 | 109.5 | V171 E173 | Q169-V171 PolarHBondContact O-N 3.24Å; Q169-E173 PolarHBondContact NE2-OE1 2.85Å; Q169-E173 VanDerWaalsContact NE2-OE1 3.13Å; Q169-E173 PolarHBondContact OE1-OE1 2.95Å |
| 170 | A | 70 | Confident | 89.9 | Confident | 111 Ų | 111 | 66.2 Ų | 66.2 | 92% | 0.917 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -56 | -24.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 171 | V | 76.4 | Confident | 90.1 | Very high | 102 Ų | 102 | 69.5 Ų | 69.5 | 62% | 0.618 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -128 | 132.6 | 171.9 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | Q169 E173 | Q169-V171 PolarHBondContact O-N 3.24Å; V171-E173 PolarHBondContact O-N 3.02Å |
| 172 | N | 83.5 | Confident | 90 | Very high | 110 Ų | 110 | 64.9 Ų | 64.9 | 59% | 0.588 | 38% | 0.382 | S | S | * | . | trans | -70.1 | 124.3 | 172.7 | -67.7 | -31.6 | 0 | 0 | 0 | 109.3 | L167 | L167-N172 HydrophobicContact CD2-CB 4.22Š| ||
| 173 | E | 87.8 | Confident | 89.8 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 34% | 0.341 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142.3 | -177.6 | -62.5 | -174.6 | -179.1 | 0 | 0 | 110.8 | A166 Q169 V171 H175 | A166-E173 PolarHBondContact N-O 3.37Å; A166-E173 PolarHBondContact O-N 2.92Å; Q169-E173 PolarHBondContact NE2-OE1 2.85Å; Q169-E173 VanDerWaalsContact NE2-OE1 3.13Å; Q169-E173 PolarHBondContact OE1-OE1 2.95Å; V171-E173 PolarHBondContact O-N 3.02Å; E173-H175 IonicContact OE2-NE2 3.05Å |
| 174 | S | 92.4 | Very high | 89.5 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 62% | 0.622 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.3 | 176 | 64.8 | 0 | 0 | 0 | 0 | 110.9 | W164 | W164-S174 VanDerWaalsContact O-CA 3.27Å; W164-S174 WeakPolarHBondContact O-CA 3.38Å |
| 175 | H | 93.6 | Very high | 89 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 32% | 0.324 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136 | 179 | -59.4 | -91.7 | 0 | 0 | 0 | 110.9 | T163 W164 E173 L180 | T163-H175 CarbonylContact C-O 3.6Å; T163-H175 WeakPolarHBondContact CA-O 3.31Å; W164-H175 HydrophobicContact CB-CB 4.28Å; W164-H175 PolarHBondContact N-O 3.21Å; W164-H175 PolarHBondContact O-N 3.23Å; E173-H175 IonicContact OE2-NE2 3.05Å; H175-L180 HydrophobicContact CB-CD1 3.89Å |
| 176 | N | 95.2 | Very high | 88.5 | Confident | 137 Ų | 137 | 69.5 Ų | 69.5 | 73% | 0.733 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 144 | 175.4 | -67.8 | -27.8 | 0 | 0 | 0 | 110.5 | ||
| 177 | G | 93.9 | Very high | 87.8 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 33% | 0.33 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 112.5 | 165.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y162 W164 | Y162-G177 VanDerWaalsContact CB-C 3.44Å; Y162-G177 VanDerWaalsContact CB-O 3.31Å; Y162-G177 WeakPolarHBondContact CB-O 3.29Å; Y162-G177 PolarHBondContact O-N 3.11Å; W164-G177 VanDerWaalsContact CD1-O 3.22Å; W164-G177 PolarHBondContact NE1-O 3.3Å |
| 178 | S | 94.4 | Very high | 87.5 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -78.9 | -19.4 | -177.2 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | C151 W164 | C151-S178 PolarHBondContact N-O 2.9Å; W164-S178 PolarHBondContact NE1-O 3.43Å |
| 179 | I | 95.7 | Very high | 87.8 | Confident | 91 Ų | 91 | 77.4 Ų | 77.4 | 47% | 0.467 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.8 | -176.7 | -58.1 | 173.8 | 0 | 0 | 0 | 109.8 | N148 L149 T150 | N148-I179 HydrophobicContact CB-CG2 4.08Å; L149-I179 CarbonylContact O-C 3.58Å; L149-I179 VanDerWaalsContact O-CA 3.29Å; L149-I179 WeakPolarHBondContact O-CA 3.45Å; T150-I179 HydrophobicContact CG2-CG1 4.18Å |
| 180 | L | 95.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 111.8 | 173 | 179.3 | 68.7 | 0 | 0 | 0 | 109.6 | L149 W164 H175 I182 F193 | L149-L180 HydrophobicContact CB-CB 4.41Å; L149-L180 PolarHBondContact N-O 3.1Å; L149-L180 PolarHBondContact O-N 2.8Å; W164-L180 HydrophobicContact CB-CB 4.47Å; W164-L180 HydrophobicContact CB-CD1 4.3Å; W164-L180 HydrophobicContact CB-CD2 4.07Å; W164-L180 HydrophobicContact CD2-CB 3.74Å; W164-L180 HydrophobicContact CD2-CD2 3.89Å; W164-L180 HydrophobicContact CD2-CG 4.41Å; W164-L180 HydrophobicContact CE3-CB 4.36Å; W164-L180 HydrophobicContact CE3-CD2 3.82Å; W164-L180 HydrophobicContact CG-CB 3.78Å; W164-L180 HydrophobicContact CG-CD1 4.46Å; W164-L180 HydrophobicContact CG-CD2 4.04Å; W164-L180 HydrophobicContact CG-CG 4.32Å; W164-L180 HydrophobicContact CZ2-CB 4.24Å; W164-L180 HydrophobicContact CZ3-CD2 4.49Å; H175-L180 HydrophobicContact CB-CD1 3.89Å; L180-I182 HydrophobicContact CD2-CG2 3.99Å; L180-I182 HydrophobicContact CG-CG2 3.97Å; L180-F193 HydrophobicContact CD2-CB 4.44Å; L180-F193 HydrophobicContact CD2-CD1 3.6Å; L180-F193 HydrophobicContact CD2-CE1 4.19Å; L180-F193 HydrophobicContact CD2-CG 4.23Å |
| 181 | P | 93.7 | Very high | 89.6 | Confident | 93 Ų | 93 | 71.2 Ų | 71.2 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 133.3 | 167.8 | 29.7 | -32.3 | 0 | 0 | 0 | 109.9 | N148 | N148-P181 VanDerWaalsContact OD1-CA 3.31Å; N148-P181 WeakPolarHBondContact OD1-CA 3.36Å; N148-P181 WeakPolarHBondContact OD1-CB 3.33Å |
| 182 | I | 92.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.046 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.8 | 177.3 | 67.5 | 165.2 | 0 | 0 | 0 | 110.4 | V146 T147 L149 L180 F193 L214 | V146-I182 WeakPolarHBondContact CA-O 3.49Å; T147-I182 HydrophobicContact CG2-CD1 3.52Å; T147-I182 HydrophobicContact CG2-CG1 3.46Å; T147-I182 VanDerWaalsContact CG2-CG1 3.46Å; T147-I182 PolarHBondContact N-O 3.41Å; T147-I182 VanDerWaalsContact N-O 3.09Å; T147-I182 VanDerWaalsContact O-CG1 3.3Å; T147-I182 WeakPolarHBondContact O-CG1 3.38Å; T147-I182 PolarHBondContact O-N 3.35Å; L149-I182 HydrophobicContact CD1-CD1 4.38Å; L149-I182 HydrophobicContact CD1-CG2 4.13Å; L149-I182 HydrophobicContact CD2-CD1 4.39Å; L149-I182 HydrophobicContact CG-CD1 4.24Å; L149-I182 HydrophobicContact CG-CG2 4.22Å; L180-I182 HydrophobicContact CD2-CG2 3.99Å; L180-I182 HydrophobicContact CG-CG2 3.97Å; I182-F193 HydrophobicContact CB-CZ 4.17Å; I182-F193 HydrophobicContact CD1-CE2 4.1Å; I182-F193 HydrophobicContact CG2-CD1 4.31Å; I182-F193 HydrophobicContact CG2-CE1 3.84Å; I182-F193 HydrophobicContact CG2-CE2 4.08Å; I182-F193 HydrophobicContact CG2-CZ 3.71Å; I182-L214 HydrophobicContact CD1-CD1 3.95Å |
| 183 | S | 91.2 | Very high | 91.1 | Very high | 80 Ų | 80 | 63 Ų | 63 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 112.2 | 171.4 | 172.8 | 0 | 0 | 0 | 0 | 106.9 | C145 | C145-S183 WeakPolarHBondContact O-CA 3.3Å |
| 184 | W | 91.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.7 | -175.8 | -178.9 | 79.2 | 0 | 0 | 0 | 110.3 | C145 W186 S189 A211 R212 C215 | C145-W184 WeakPolarHBondContact CB-O 3.47Å; C145-W184 PolarHBondContact N-O 2.04Å; C145-W184 PolarHBondContact O-N 3.5Å; W184-W186 AromaticContact CH2-CD2 3.94Å; W184-W186 HydrophobicContact CH2-CD2 3.94Å; W184-W186 AromaticContact CH2-CE3 3.5Å; W184-W186 HydrophobicContact CH2-CE3 3.5Å; W184-W186 VanDerWaalsContact CH2-CE3 3.5Å; W184-W186 HydrophobicContact CH2-CH2 4.46Å; W184-W186 AromaticContact CH2-CZ3 3.78Å; W184-W186 HydrophobicContact CH2-CZ3 3.78Å; W184-W186 AromaticContact CZ3-CD2 3.66Å; W184-W186 HydrophobicContact CZ3-CD2 3.66Å; W184-W186 AromaticContact CZ3-CE2 3.98Å; W184-W186 AromaticContact CZ3-CE3 3.71Å; W184-W186 HydrophobicContact CZ3-CE3 3.71Å; W184-W186 HydrophobicContact CZ3-CG 4.16Å; W184-W186 HydrophobicContact CZ3-CH2 4.36Å; W184-W186 HydrophobicContact CZ3-CZ2 4.34Å; W184-W186 HydrophobicContact CZ3-CZ3 4.06Å; W184-S189 PolarHBondContact NE1-O 3.25Å; W184-S189 VanDerWaalsContact NE1-O 3.17Å; W184-A211 HydrophobicContact CB-CB 4.21Å; W184-A211 HydrophobicContact CD2-CB 3.83Å; W184-A211 HydrophobicContact CG-CB 3.64Å; W184-R212 HydrophobicContact CH2-CB 4.13Å; W184-R212 HydrophobicContact CH2-CG 4.35Å; W184-R212 HydrophobicContact CZ2-CB 4.41Å; W184-C215 HydrophobicContact CE3-CB 3.78Å; W184-C215 HydrophobicContact CZ3-CB 3.96Å |
| 185 | R | 88.5 | Confident | 91.7 | Very high | 139 Ų | 139 | 56.9 Ų | 56.9 | 53% | 0.525 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.7 | -177.5 | -171.1 | 179.4 | -179.5 | 174.2 | 0.1 | 111.2 | G187 E188 | R185-G187 PolarHBondContact O-N 3.03Å; R185-E188 HydrophobicContact CB-CG 4.22Å; R185-E188 WeakPolarHBondContact O-CB 3.27Å; R185-E188 PolarHBondContact O-N 3.05Å |
| 186 | W | 83.4 | Confident | 91.9 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 30% | 0.303 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 131.5 | 171.6 | -79.3 | 112.2 | 0 | 0 | 0 | 111.6 | G143 W184 R212 C215 A219 | G143-W186 PolarHBondContact O-N 2.93Å; W184-W186 AromaticContact CH2-CD2 3.94Å; W184-W186 HydrophobicContact CH2-CD2 3.94Å; W184-W186 AromaticContact CH2-CE3 3.5Å; W184-W186 HydrophobicContact CH2-CE3 3.5Å; W184-W186 VanDerWaalsContact CH2-CE3 3.5Å; W184-W186 HydrophobicContact CH2-CH2 4.46Å; W184-W186 AromaticContact CH2-CZ3 3.78Å; W184-W186 HydrophobicContact CH2-CZ3 3.78Å; W184-W186 AromaticContact CZ3-CD2 3.66Å; W184-W186 HydrophobicContact CZ3-CD2 3.66Å; W184-W186 AromaticContact CZ3-CE2 3.98Å; W184-W186 AromaticContact CZ3-CE3 3.71Å; W184-W186 HydrophobicContact CZ3-CE3 3.71Å; W184-W186 HydrophobicContact CZ3-CG 4.16Å; W184-W186 HydrophobicContact CZ3-CH2 4.36Å; W184-W186 HydrophobicContact CZ3-CZ2 4.34Å; W184-W186 HydrophobicContact CZ3-CZ3 4.06Å; W186-R212 HydrophobicContact CH2-CG 4.12Å; W186-R212 HydrophobicContact CZ3-CG 3.93Å; W186-C215 WeakPolarHBondContact CZ2-O 3.39Å; W186-A219 HydrophobicContact CZ2-CB 4.04Å |
| 187 | G | 79.9 | Confident | 91.9 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 84% | 0.835 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -11.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R185 | R185-G187 PolarHBondContact O-N 3.03Š|
| 188 | E | 84.6 | Confident | 92 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -79.9 | 166.1 | 170.8 | -66.8 | 178.9 | 172 | 0 | 0 | 111.8 | R185 | R185-E188 HydrophobicContact CB-CG 4.22Å; R185-E188 WeakPolarHBondContact O-CB 3.27Å; R185-E188 PolarHBondContact O-N 3.05Å |
| 189 | S | 87.1 | Confident | 91.9 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 58% | 0.58 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 142.6 | 171.9 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | G168 W184 | G168-S189 PolarHBondContact O-OG 2.94Å; W184-S189 PolarHBondContact NE1-O 3.25Å; W184-S189 VanDerWaalsContact NE1-O 3.17Å |
| 190 | D | 89.6 | Confident | 91.8 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 140.1 | 179.9 | -158.1 | 1.5 | 0 | 0 | 0 | 110 | A211 R212 | D190-A211 PolarHBondContact OD1-N 3.28Å; D190-R212 PolarHBondContact OD1-N 3.06Å; D190-R212 WeakPolarHBondContact OD2-CB 3.12Å |
| 191 | M | 92.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 53.4 Ų | 53.4 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | trans | -108.9 | 142.5 | 179.8 | -63.7 | 177.9 | 74.4 | 0 | 0 | 109.9 | A166 L167 F193 L210 A211 | A166-M191 HydrophobicContact CB-CE 4.29Å; L167-M191 CarbonylContact O-C 3.58Å; L167-M191 VanDerWaalsContact O-CA 3.3Å; L167-M191 WeakPolarHBondContact O-CA 3.46Å; M191-F193 HydrophobicContact CB-CE1 4.34Å; M191-F193 HydrophobicContact CB-CE2 4.23Å; M191-F193 HydrophobicContact CB-CZ 3.84Å; M191-F193 HydrophobicContact CE-CE1 4.02Å; M191-F193 HydrophobicContact CE-CZ 4.21Å; M191-F193 HydrophobicContact SD-CZ 4.28Å; M191-L210 CarbonylContact O-C 3.57Å; M191-L210 WeakPolarHBondContact O-CA 3.44Å; M191-A211 HydrophobicContact CB-CB 4.05Å; M191-A211 PolarHBondContact O-N 2.96Å | ||
| 192 | T | 94.9 | Very high | 91.7 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 20% | 0.202 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.5 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | L167 I194 P208 I209 L210 | L167-T192 PolarHBondContact N-O 3.1Å; L167-T192 PolarHBondContact O-N 2.81Å; T192-I194 HydrophobicContact CG2-CG1 4.26Å; T192-P208 HydrophobicContact CG2-CB 3.63Å; T192-I209 CarbonylContact C-O 3.58Å; T192-I209 WeakPolarHBondContact CA-O 3.48Å; T192-L210 WeakPolarHBondContact OG1-CD2 3.44Å |
| 193 | F | 95.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.6 | 177.3 | -51.8 | -71.8 | 0 | 0 | 0 | 110.6 | L149 W164 K165 A166 L180 I182 M191 I209 A211 L214 | L149-F193 HydrophobicContact CD1-CB 3.92Å; L149-F193 HydrophobicContact CD1-CD2 3.85Å; L149-F193 HydrophobicContact CD1-CG 3.92Å; W164-F193 HydrophobicContact CE3-CB 4.34Å; W164-F193 HydrophobicContact CZ3-CB 4.19Å; K165-F193 WeakPolarHBondContact O-CA 3.19Å; A166-F193 HydrophobicContact CB-CD1 3.89Å; A166-F193 HydrophobicContact CB-CE1 3.93Å; L180-F193 HydrophobicContact CD2-CB 4.44Å; L180-F193 HydrophobicContact CD2-CD1 3.6Å; L180-F193 HydrophobicContact CD2-CE1 4.19Å; L180-F193 HydrophobicContact CD2-CG 4.23Å; I182-F193 HydrophobicContact CB-CZ 4.17Å; I182-F193 HydrophobicContact CD1-CE2 4.1Å; I182-F193 HydrophobicContact CG2-CD1 4.31Å; I182-F193 HydrophobicContact CG2-CE1 3.84Å; I182-F193 HydrophobicContact CG2-CE2 4.08Å; I182-F193 HydrophobicContact CG2-CZ 3.71Å; M191-F193 HydrophobicContact CB-CE1 4.34Å; M191-F193 HydrophobicContact CB-CE2 4.23Å; M191-F193 HydrophobicContact CB-CZ 3.84Å; M191-F193 HydrophobicContact CE-CE1 4.02Å; M191-F193 HydrophobicContact CE-CZ 4.21Å; M191-F193 HydrophobicContact SD-CZ 4.28Å; F193-I209 PolarHBondContact N-O 3.09Å; F193-I209 PolarHBondContact O-N 3.35Å; F193-A211 HydrophobicContact CE2-CB 3.86Å; F193-A211 HydrophobicContact CZ-CB 4.47Å; F193-L214 HydrophobicContact CD2-CD1 4.32Å |
| 194 | I | 97 | Very high | 92.1 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 119.3 | 176.5 | -55.6 | 174.3 | 0 | 0 | 0 | 108.2 | W164 K165 L167 T192 P208 | W164-I194 WeakPolarHBondContact CA-O 2.94Å; K165-I194 PolarHBondContact N-O 2.82Å; K165-I194 PolarHBondContact O-N 2.82Å; L167-I194 HydrophobicContact CD1-CD1 4.01Å; T192-I194 HydrophobicContact CG2-CG1 4.26Å; I194-P208 HydrophobicContact CD1-CG 4.46Å; I194-P208 HydrophobicContact CG1-CB 4.27Å |
| 195 | C | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 136.7 | 168.3 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | V133 C151 T163 W164 S205 S206 | V133-C195 HydrophobicContact CG2-CB 4.14Å; C151-C195 HydrophobicContact CB-CB 3.64Å; C151-C195 WeakPolarHBondContact CB-SG 3.05Å; C151-C195 WeakPolarHBondContact SG-CB 3.36Å; C151-C195 CovalentContact SG-SG 2.02Å; C151-C195 PolarHBondContact SG-SG 2.91Å; T163-C195 CarbonylContact O-C 3.54Å; W164-C195 HydrophobicContact CD2-CB 3.92Å; W164-C195 HydrophobicContact CE3-CB 3.77Å; W164-C195 HydrophobicContact CH2-CB 3.77Å; W164-C195 HydrophobicContact CZ2-CB 3.94Å; W164-C195 HydrophobicContact CZ3-CB 3.68Å; C195-S205 CarbonylContact O-C 3.55Å; C195-S205 WeakPolarHBondContact O-CA 3.18Å; C195-S206 PolarHBondContact N-OG 3.22Å; C195-S206 PolarHBondContact O-N 2.9Å |
| 196 | T | 96.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.2 | 170.9 | -57.1 | 0 | 0 | 0 | 0 | 109.1 | T163 S203 N204 S205 | T163-T196 PolarHBondContact N-O 3.28Å; T163-T196 PolarHBondContact O-N 3.07Å; T196-S203 WeakPolarHBondContact CG2-OG 3.5Å; T196-N204 CarbonylContact C-O 3.57Å; T196-N204 WeakPolarHBondContact CA-O 3.4Å; T196-S205 PolarHBondContact OG1-OG 3.09Å |
| 197 | V | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 144.3 | 170.9 | -65.2 | 0 | 0 | 0 | 0 | 109.3 | L128 P131 M153 V160 I161 Y162 S203 N204 | L128-V197 HydrophobicContact CB-CG2 4.24Å; L128-V197 HydrophobicContact CD1-CB 4.14Å; L128-V197 HydrophobicContact CD1-CG2 3.96Å; P131-V197 HydrophobicContact CB-CG1 3.91Å; P131-V197 HydrophobicContact CB-CG2 4.24Å; P131-V197 HydrophobicContact CG-CG1 4.15Å; P131-V197 HydrophobicContact CG-CG2 3.95Å; M153-V197 HydrophobicContact CE-CG2 4.34Å; M153-V197 HydrophobicContact CG-CG1 4.33Å; M153-V197 HydrophobicContact SD-CB 4.22Å; M153-V197 HydrophobicContact SD-CG1 3.94Å; M153-V197 HydrophobicContact SD-CG2 3.7Å; V160-V197 HydrophobicContact CG1-CB 3.98Å; V160-V197 HydrophobicContact CG1-CG1 4.35Å; I161-V197 CarbonylContact O-C 3.53Å; I161-V197 WeakPolarHBondContact O-CA 3.3Å; Y162-V197 HydrophobicContact CD1-CG1 3.55Å; Y162-V197 HydrophobicContact CE1-CG1 3.53Å; Y162-V197 HydrophobicContact CG-CG1 4.32Å; V197-S203 VanDerWaalsContact O-CA 3.26Å; V197-S203 WeakPolarHBondContact O-CA 3.36Å; V197-S203 PolarHBondContact O-OG 3.28Å; V197-N204 HydrophobicContact CG2-CB 4.2Å; V197-N204 WeakPolarHBondContact CG2-O 3.34Å; V197-N204 PolarHBondContact N-O 2.91Å; V197-N204 PolarHBondContact O-N 2.8Å |
| 198 | R | 94.5 | Very high | 94 | Very high | 159 Ų | 159 | 47.2 Ų | 47.2 | 60% | 0.6 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 138.6 | -177.9 | -176.8 | 175.5 | 178 | -175.5 | -0.2 | 111.4 | I161 | I161-R198 PolarHBondContact N-O 3.28Å; I161-R198 PolarHBondContact O-N 3.44Å |
| 199 | N | 93.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | trans | -126 | 177 | 161.5 | 71.8 | 5.5 | 0 | 0 | 0 | 108.7 | Y125 E126 L128 E157 V201 S202 | Y125-N199 HydrophobicContact CD1-CB 4.24Å; E126-N199 PolarHBondContact O-ND2 2.67Å; L128-N199 HydrophobicContact CD1-CB 4.02Å; L128-N199 HydrophobicContact CG-CB 4.4Å; E157-N199 PolarHBondContact OE2-ND2 3.46Å; N199-V201 PolarHBondContact O-N 3.06Å; N199-V201 VanDerWaalsContact O-N 3.13Å; N199-V201 VanDerWaalsContact OD1-CG2 3.29Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.4Å; N199-V201 PolarHBondContact OD1-N 2.94Å; N199-S202 PolarHBondContact N-O 3.02Å; N199-S202 PolarHBondContact O-N 3.41Å; N199-S202 VanDerWaalsContact O-O 3.05Å; N199-S202 WeakPolarHBondContact OD1-CA 3.42Å; N199-S202 PolarHBondContact OD1-N 2.94Å; N199-S202 PolarHBondContact OD1-O 3.31Å; N199-S202 PolarHBondContact OD1-OG 3.39Å | ||
| 200 | P | 93.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 43.4 Ų | 43.4 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -60 | -21.6 | -177.2 | -31.6 | 40.7 | 0 | 0 | 0 | 115.7 | V30 Y125 | V30-P200 HydrophobicContact CG1-CB 3.62Å; V30-P200 HydrophobicContact CG2-CB 4.16Å; Y125-P200 HydrophobicContact CD2-CB 4.2Å; Y125-P200 HydrophobicContact CD2-CG 4.18Å; Y125-P200 HydrophobicContact CE1-CG 4.4Å; Y125-P200 HydrophobicContact CE2-CB 3.97Å; Y125-P200 HydrophobicContact CE2-CG 3.59Å |
| 201 | V | 93.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -105.5 | -19.2 | -176.4 | -59.1 | 0 | 0 | 0 | 0 | 114.1 | V30 Y125 N199 | V30-V201 HydrophobicContact CG1-CG1 3.46Å; V30-V201 VanDerWaalsContact CG1-CG1 3.46Å; Y125-V201 VanDerWaalsContact CB-CG2 3.5Å; Y125-V201 HydrophobicContact CD2-CG1 4.27Å; Y125-V201 HydrophobicContact CG-CG2 4.5Å; N199-V201 PolarHBondContact O-N 3.06Å; N199-V201 VanDerWaalsContact O-N 3.13Å; N199-V201 VanDerWaalsContact OD1-CG2 3.29Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.4Å; N199-V201 PolarHBondContact OD1-N 2.94Å |
| 202 | S | 93.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | trans | -154.2 | 157.5 | -170.9 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | L128 N199 | L128-S202 WeakPolarHBondContact CG-OG 3.31Å; L128-S202 PolarHBondContact N-OG 3.17Å; N199-S202 PolarHBondContact N-O 3.02Å; N199-S202 PolarHBondContact O-N 3.41Å; N199-S202 VanDerWaalsContact O-O 3.05Å; N199-S202 WeakPolarHBondContact OD1-CA 3.42Å; N199-S202 PolarHBondContact OD1-N 2.94Å; N199-S202 PolarHBondContact OD1-O 3.31Å; N199-S202 PolarHBondContact OD1-OG 3.39Å | ||
| 203 | S | 95.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 52.4 Ų | 52.4 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 141.7 | 172.3 | -172.9 | 0 | 0 | 0 | 0 | 110 | T196 V197 | T196-S203 WeakPolarHBondContact CG2-OG 3.5Å; V197-S203 VanDerWaalsContact O-CA 3.26Å; V197-S203 WeakPolarHBondContact O-CA 3.36Å; V197-S203 PolarHBondContact O-OG 3.28Å |
| 204 | N | 95.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153.9 | -178.7 | -150.4 | -27.4 | 0 | 0 | 0 | 110.6 | L128 K130 T196 V197 | L128-N204 PolarHBondContact O-ND2 3.04Å; K130-N204 PolarHBondContact N-ND2 2.88Å; T196-N204 CarbonylContact C-O 3.57Å; T196-N204 WeakPolarHBondContact CA-O 3.4Å; V197-N204 HydrophobicContact CG2-CB 4.2Å; V197-N204 WeakPolarHBondContact CG2-O 3.34Å; V197-N204 PolarHBondContact N-O 2.91Å; V197-N204 PolarHBondContact O-N 2.8Å |
| 205 | S | 96.8 | Very high | 93.6 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.2 | -174.8 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | K130 C195 T196 | K130-S205 WeakPolarHBondContact CE-O 3.2Å; K130-S205 WeakPolarHBondContact CG-O 3.18Å; C195-S205 CarbonylContact O-C 3.55Å; C195-S205 WeakPolarHBondContact O-CA 3.18Å; T196-S205 PolarHBondContact OG1-OG 3.09Å |
| 206 | S | 97.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 164.6 | 174.6 | 70 | 0 | 0 | 0 | 0 | 110.9 | C195 | C195-S206 PolarHBondContact N-OG 3.22Å; C195-S206 PolarHBondContact O-N 2.9Å |
| 207 | S | 95.5 | Very high | 91 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 47% | 0.469 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 147.9 | 161.2 | -62.5 | 0 | 0 | 0 | 0 | 109.5 | K130 | K130-S207 VanDerWaalsContact CE-N 3.29Å; K130-S207 WeakPolarHBondContact CE-OG 3.38Å; K130-S207 PolarHBondContact NZ-OG 3.03Å |
| 208 | P | 95.1 | Very high | 89.1 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 59% | 0.591 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 141.7 | 174.1 | -19.8 | 31.6 | 0 | 0 | 0 | 111.4 | T192 I194 | T192-P208 HydrophobicContact CG2-CB 3.63Å; I194-P208 HydrophobicContact CD1-CG 4.46Å; I194-P208 HydrophobicContact CG1-CB 4.27Å |
| 209 | I | 94.3 | Very high | 87.2 | Confident | 30 Ų | 30 | 56 Ų | 56 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.9 | -177.3 | -57.8 | 150.4 | 0 | 0 | 0 | 108.8 | V133 T192 F193 L214 | V133-I209 HydrophobicContact CB-CD1 3.57Å; V133-I209 HydrophobicContact CG1-CD1 3.53Å; V133-I209 HydrophobicContact CG2-CD1 3.69Å; T192-I209 CarbonylContact C-O 3.58Å; T192-I209 WeakPolarHBondContact CA-O 3.48Å; F193-I209 PolarHBondContact N-O 3.09Å; F193-I209 PolarHBondContact O-N 3.35Å; I209-L214 HydrophobicContact CG2-CD1 3.36Å; I209-L214 HydrophobicContact CG2-CD2 3.63Å; I209-L214 HydrophobicContact CG2-CG 3.47Å; I209-L214 VanDerWaalsContact CG2-CG 3.47Å |
| 210 | L | 93.3 | Very high | 85.2 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.3 | -178.8 | -68.3 | 160.4 | 0 | 0 | 0 | 110.7 | M191 T192 R212 K213 L214 | M191-L210 CarbonylContact O-C 3.57Å; M191-L210 WeakPolarHBondContact O-CA 3.44Å; T192-L210 WeakPolarHBondContact OG1-CD2 3.44Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.36Å; L210-K213 HydrophobicContact CB-CB 4.21Å; L210-K213 PolarHBondContact O-N 3.13Å; L210-L214 WeakPolarHBondContact O-CG 3.41Å; L210-L214 PolarHBondContact O-N 3.43Å; L210-L214 VanDerWaalsContact O-N 3.1Å |
| 211 | A | 91.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W184 D190 M191 F193 K213 L214 C215 | W184-A211 HydrophobicContact CB-CB 4.21Å; W184-A211 HydrophobicContact CD2-CB 3.83Å; W184-A211 HydrophobicContact CG-CB 3.64Å; D190-A211 PolarHBondContact OD1-N 3.28Å; M191-A211 HydrophobicContact CB-CB 4.05Å; M191-A211 PolarHBondContact O-N 2.96Å; F193-A211 HydrophobicContact CE2-CB 3.86Å; F193-A211 HydrophobicContact CZ-CB 4.47Å; A211-K213 VanDerWaalsContact C-N 3.3Å; A211-K213 PolarHBondContact O-N 2.95Å; A211-L214 PolarHBondContact O-N 3.07Å; A211-L214 VanDerWaalsContact O-N 3.12Å; A211-C215 WeakPolarHBondContact O-CB 3.35Å; A211-C215 PolarHBondContact O-N 3.3Å; A211-C215 PolarHBondContact O-SG 3.48Å |
| 212 | R | 88.9 | Confident | 81.4 | Confident | 134 Ų | 134 | 64.8 Ų | 64.8 | 51% | 0.506 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 177.4 | -174.4 | -178.7 | -63.6 | -165 | -1.3 | 112.8 | W184 W186 D190 L210 C215 E216 | W184-R212 HydrophobicContact CH2-CB 4.13Å; W184-R212 HydrophobicContact CH2-CG 4.35Å; W184-R212 HydrophobicContact CZ2-CB 4.41Å; W186-R212 HydrophobicContact CH2-CG 4.12Å; W186-R212 HydrophobicContact CZ3-CG 3.93Å; D190-R212 PolarHBondContact OD1-N 3.06Å; D190-R212 WeakPolarHBondContact OD2-CB 3.12Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.36Å; R212-C215 PolarHBondContact O-N 3.2Å; R212-E216 PolarHBondContact O-N 2.64Å; R212-E216 VanDerWaalsContact O-N 3.11Å |
| 213 | K | 88.7 | Confident | 79.7 | Confident | 161 Ų | 161 | 69.5 Ų | 69.5 | 70% | 0.7 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.3 | -34.9 | 179.2 | -173.8 | 176.2 | -179.7 | 176.2 | 0 | 112.2 | L210 A211 C215 | L210-K213 HydrophobicContact CB-CB 4.21Å; L210-K213 PolarHBondContact O-N 3.13Å; A211-K213 VanDerWaalsContact C-N 3.3Å; A211-K213 PolarHBondContact O-N 2.95Å; K213-C215 VanDerWaalsContact C-N 3.34Å |
| 214 | L | 87.4 | Confident | 78.1 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 175.1 | -70.7 | 172.1 | 0 | 0 | 0 | 112.3 | M135 Q138 L149 I182 F193 I209 L210 A211 | M135-L214 HydrophobicContact SD-CB 4.14Å; M135-L214 HydrophobicContact SD-CD2 3.83Å; Q138-L214 PolarHBondContact NE2-O 3.32Å; L149-L214 HydrophobicContact CD1-CD1 4.1Å; L149-L214 HydrophobicContact CD2-CD1 3.84Å; L149-L214 HydrophobicContact CD2-CD2 4.4Å; I182-L214 HydrophobicContact CD1-CD1 3.95Å; F193-L214 HydrophobicContact CD2-CD1 4.32Å; I209-L214 HydrophobicContact CG2-CD1 3.36Å; I209-L214 HydrophobicContact CG2-CD2 3.63Å; I209-L214 HydrophobicContact CG2-CG 3.47Å; I209-L214 VanDerWaalsContact CG2-CG 3.47Å; L210-L214 WeakPolarHBondContact O-CG 3.41Å; L210-L214 PolarHBondContact O-N 3.43Å; L210-L214 VanDerWaalsContact O-N 3.1Å; A211-L214 PolarHBondContact O-N 3.07Å; A211-L214 VanDerWaalsContact O-N 3.12Å |
| 215 | C | 86.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -103.1 | 11.2 | -171.1 | -63.6 | 0 | 0 | 0 | 0 | 114 | C145 W184 W186 A211 R212 K213 G217 A218 | C145-C215 HydrophobicContact CB-CB 3.49Å; C145-C215 VanDerWaalsContact CB-CB 3.49Å; C145-C215 WeakPolarHBondContact CB-SG 3.29Å; C145-C215 WeakPolarHBondContact SG-CB 3.42Å; C145-C215 CovalentContact SG-SG 2.04Å; C145-C215 PolarHBondContact SG-SG 3.46Å; W184-C215 HydrophobicContact CE3-CB 3.78Å; W184-C215 HydrophobicContact CZ3-CB 3.96Å; W186-C215 WeakPolarHBondContact CZ2-O 3.39Å; A211-C215 WeakPolarHBondContact O-CB 3.35Å; A211-C215 PolarHBondContact O-N 3.3Å; A211-C215 PolarHBondContact O-SG 3.48Å; R212-C215 PolarHBondContact O-N 3.2Å; K213-C215 VanDerWaalsContact C-N 3.34Å; C215-G217 PolarHBondContact O-N 2.96Å; C215-G217 VanDerWaalsContact O-N 3.1Å; C215-A218 WeakPolarHBondContact O-CB 3.47Å; C215-A218 PolarHBondContact O-N 2.93Å |
| 216 | E | 77.6 | Confident | 75.4 | Confident | 139 Ų | 139 | 75.1 Ų | 75.1 | 65% | 0.65 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -54.6 | -32.9 | -174.2 | -161.8 | 165.4 | -172 | 0 | 0 | 113.5 | R212 A218 | R212-E216 PolarHBondContact O-N 2.64Å; R212-E216 VanDerWaalsContact O-N 3.11Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 3.2Å |
| 217 | G | 63.9 | Low | 74.3 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 58% | 0.577 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -78.2 | -2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | C215 | C215-G217 PolarHBondContact O-N 2.96Å; C215-G217 VanDerWaalsContact O-N 3.1Å |
| 218 | A | 55.1 | Low | 73.5 | Confident | 2 Ų | 2 | 80.7 Ų | 80.7 | 2% | 0.017 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -85.9 | -6.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N140 C145 C215 E216 | N140-A218 HydrophobicContact CB-CB 3.92Å; N140-A218 WeakPolarHBondContact ND2-CA 3.47Å; N140-A218 VanDerWaalsContact ND2-CB 3.34Å; N140-A218 WeakPolarHBondContact ND2-CB 3.41Å; N140-A218 WeakPolarHBondContact OD1-CB 3.35Å; C145-A218 HydrophobicContact CB-CB 4.25Å; C215-A218 WeakPolarHBondContact O-CB 3.47Å; C215-A218 PolarHBondContact O-N 2.93Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 3.2Å |
| 219 | A | 55.1 | Low | 72.9 | Confident | 66 Ų | 66 | 81 Ų | 81 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -81.6 | -18.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | W186 N221 | W186-A219 HydrophobicContact CZ2-CB 4.04Å; A219-N221 PolarHBondContact O-N 2.94Å |
| 220 | D | 51.8 | Low | 72.5 | Confident | 157 Ų | 157 | 86.4 Ų | 86.4 | 84% | 0.84 | 47% | 0.473 | S | S | * | . | trans | -85.5 | 41.4 | -175.4 | -104.6 | -7.9 | 0 | 0 | 0 | 113.3 | S222 | D220-S222 PolarHBondContact O-N 3.06Å; D220-S222 VanDerWaalsContact O-N 3.09Å | ||
| 221 | N | 50.9 | Low | 72.1 | Confident | 66 Ų | 66 | 88.3 Ų | 88.3 | 35% | 0.353 | 48% | 0.483 | S | S | . | . | trans | -73 | 105.4 | 168.2 | -84.9 | -9.4 | 0 | 0 | 0 | 108.9 | A219 D223 | A219-N221 PolarHBondContact O-N 2.94Å; N221-D223 PolarHBondContact O-N 3.39Å | ||
| 222 | S | 55.5 | Low | 72 | Confident | 84 Ų | 84 | 93.9 Ų | 93.9 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 10.2 | -27 | 152.7 | 54.8 | 0 | 0 | 0 | 0 | 122 | D220 M226 | D220-S222 PolarHBondContact O-N 3.06Å; D220-S222 VanDerWaalsContact O-N 3.09Å; S222-M226 PolarHBondContact O-N 3.06Å |
| 223 | D | 57.5 | Low | 72.1 | Confident | 119 Ų | 119 | 91.5 Ų | 91.5 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.8 | -37.1 | -178.4 | -73.5 | -15.5 | 0 | 0 | 0 | 112.3 | N221 S225 M226 V227 | N221-D223 PolarHBondContact O-N 3.39Å; D223-S225 PolarHBondContact O-N 3.35Å; D223-M226 PolarHBondContact O-N 3.26Å; D223-V227 WeakPolarHBondContact O-CB 3.47Å; D223-V227 WeakPolarHBondContact O-CG2 3.34Å; D223-V227 PolarHBondContact O-N 3.4Å |
| 224 | S | 61.8 | Low | 72.3 | Confident | 95 Ų | 95 | 87.2 Ų | 87.2 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.3 | -38.1 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | V227 L228 | S224-V227 PolarHBondContact O-N 3.39Å; S224-L228 WeakPolarHBondContact O-CB 3.42Å; S224-L228 PolarHBondContact O-N 3.11Å |
| 225 | S | 66.2 | Low | 72.6 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 177 | -176.8 | 0 | 0 | 0 | 0 | 112 | D223 L229 | D223-S225 PolarHBondContact O-N 3.35Å; S225-L229 WeakPolarHBondContact O-CB 3.26Å; S225-L229 PolarHBondContact O-N 2.86Å |
| 226 | M | 69.3 | Low | 73 | Confident | 102 Ų | 102 | 93.2 Ų | 93.2 | 50% | 0.502 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 173.1 | -92.3 | -81.9 | -91.6 | 0 | 0 | 112 | S222 D223 L229 Y230 | S222-M226 PolarHBondContact O-N 3.06Å; D223-M226 PolarHBondContact O-N 3.26Å; M226-L229 PolarHBondContact O-N 3.38Å; M226-Y230 HydrophobicContact CE-CE2 3.91Å; M226-Y230 VanDerWaalsContact O-CD2 3.25Å; M226-Y230 WeakPolarHBondContact O-CD2 3.07Å; M226-Y230 PolarHBondContact O-N 3.41Å; M226-Y230 HydrophobicContact SD-CE2 4.06Å |
| 227 | V | 75.5 | Confident | 73.8 | Confident | 87 Ų | 87 | 91.4 Ų | 91.4 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | D223 S224 Y230 L231 | D223-V227 WeakPolarHBondContact O-CB 3.47Å; D223-V227 WeakPolarHBondContact O-CG2 3.34Å; D223-V227 PolarHBondContact O-N 3.4Å; S224-V227 PolarHBondContact O-N 3.39Å; V227-Y230 PolarHBondContact O-N 3.46Å; V227-L231 HydrophobicContact CG1-CD1 4.06Å; V227-L231 HydrophobicContact CG1-CG 4.45Å; V227-L231 WeakPolarHBondContact O-CB 2.99Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.3Å |
| 228 | L | 77.6 | Confident | 75.3 | Confident | 105 Ų | 105 | 93.7 Ų | 93.7 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 175.9 | -171.7 | 69.6 | 0 | 0 | 0 | 111.6 | S224 L231 L232 | S224-L228 WeakPolarHBondContact O-CB 3.42Å; S224-L228 PolarHBondContact O-N 3.11Å; L228-L231 PolarHBondContact O-N 3.32Å; L228-L232 HydrophobicContact CG-CD1 4.39Å; L228-L232 WeakPolarHBondContact O-CG 3.22Å; L228-L232 PolarHBondContact O-N 2.72Å; L228-L232 VanDerWaalsContact O-N 3.07Å |
| 229 | L | 82.7 | Confident | 77.1 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.5 | -176.9 | 64.9 | 0 | 0 | 0 | 111.3 | S225 M226 L232 L233 | S225-L229 WeakPolarHBondContact O-CB 3.26Å; S225-L229 PolarHBondContact O-N 2.86Å; M226-L229 PolarHBondContact O-N 3.38Å; L229-L232 PolarHBondContact O-N 3.31Å; L229-L233 WeakPolarHBondContact O-CB 3.33Å; L229-L233 PolarHBondContact O-N 3.07Å |
| 230 | Y | 85.8 | Confident | 79 | Confident | 143 Ų | 143 | 98.1 Ų | 98.1 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 174.8 | -89.5 | -75.6 | 0 | 0 | 0 | 112.3 | M226 V227 L232 L233 V234 | M226-Y230 HydrophobicContact CE-CE2 3.91Å; M226-Y230 VanDerWaalsContact O-CD2 3.25Å; M226-Y230 WeakPolarHBondContact O-CD2 3.07Å; M226-Y230 PolarHBondContact O-N 3.41Å; M226-Y230 HydrophobicContact SD-CE2 4.06Å; V227-Y230 PolarHBondContact O-N 3.46Å; Y230-L232 PolarHBondContact O-N 2.88Å; Y230-L233 PolarHBondContact O-N 3.41Å; Y230-V234 HydrophobicContact CD1-CG2 4.06Å; Y230-V234 WeakPolarHBondContact O-CB 3.34Å; Y230-V234 VanDerWaalsContact O-CG2 3.22Å; Y230-V234 WeakPolarHBondContact O-CG2 3.42Å; Y230-V234 PolarHBondContact O-N 3.4Å |
| 231 | L | 85.4 | Confident | 81.1 | Confident | 115 Ų | 115 | 97 Ų | 97 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -28.3 | 177.6 | -78.3 | 171.6 | 0 | 0 | 0 | 113.2 | V227 L228 P235 | V227-L231 HydrophobicContact CG1-CD1 4.06Å; V227-L231 HydrophobicContact CG1-CG 4.45Å; V227-L231 WeakPolarHBondContact O-CB 2.99Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.3Å; L228-L231 PolarHBondContact O-N 3.32Å; L231-P235 WeakPolarHBondContact O-CD 3.19Å; L231-P235 WeakPolarHBondContact O-CG 3.4Å |
| 232 | L | 88.7 | Confident | 83.2 | Confident | 117 Ų | 117 | 98.3 Ų | 98.3 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -90.7 | -40.5 | 176.8 | -66.7 | 173.4 | 0 | 0 | 0 | 112.4 | L228 L229 Y230 L236 | L228-L232 HydrophobicContact CG-CD1 4.39Å; L228-L232 WeakPolarHBondContact O-CG 3.22Å; L228-L232 PolarHBondContact O-N 2.72Å; L228-L232 VanDerWaalsContact O-N 3.07Å; L229-L232 PolarHBondContact O-N 3.31Å; Y230-L232 PolarHBondContact O-N 2.88Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 PolarHBondContact O-N 3.44Å |
| 233 | L | 92 | Very high | 85.1 | Confident | 84 Ų | 84 | 98.7 Ų | 98.7 | 44% | 0.44 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.9 | -40.2 | -172.9 | -163.9 | 74.2 | 0 | 0 | 0 | 112.5 | L229 Y230 L236 L237 | L229-L233 WeakPolarHBondContact O-CB 3.33Å; L229-L233 PolarHBondContact O-N 3.07Å; Y230-L233 PolarHBondContact O-N 3.41Å; L233-L236 PolarHBondContact O-N 3.04Å; L233-L237 HydrophobicContact CG-CD1 4.27Å; L233-L237 WeakPolarHBondContact O-CG 3.27Å; L233-L237 PolarHBondContact O-N 2.85Å |
| 234 | V | 93.3 | Very high | 86.8 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 42% | 0.424 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -51.6 | -179.3 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | Y230 L236 L237 L238 | Y230-V234 HydrophobicContact CD1-CG2 4.06Å; Y230-V234 WeakPolarHBondContact O-CB 3.34Å; Y230-V234 VanDerWaalsContact O-CG2 3.22Å; Y230-V234 WeakPolarHBondContact O-CG2 3.42Å; Y230-V234 PolarHBondContact O-N 3.4Å; V234-L236 VanDerWaalsContact C-N 3.3Å; V234-L236 PolarHBondContact O-N 2.98Å; V234-L237 PolarHBondContact O-N 3.47Å; V234-L238 HydrophobicContact CG1-CD1 4.03Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.32Å |
| 235 | P | 93 | Very high | 88.3 | Confident | 68 Ų | 68 | 93.3 Ų | 93.3 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -32.6 | 177.5 | 23.2 | -31.2 | 0 | 0 | 0 | 112.6 | L231 L238 S239 | L231-P235 WeakPolarHBondContact O-CD 3.19Å; L231-P235 WeakPolarHBondContact O-CG 3.4Å; P235-L238 PolarHBondContact O-N 2.92Å; P235-S239 WeakPolarHBondContact O-CB 3.33Å; P235-S239 PolarHBondContact O-N 3.45Å; P235-S239 PolarHBondContact O-OG 2.93Å |
| 236 | L | 94.4 | Very high | 89.6 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 174 | -177 | 64.4 | 0 | 0 | 0 | 111.1 | L232 L233 V234 L238 S239 L240 | L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 PolarHBondContact O-N 3.44Å; L233-L236 PolarHBondContact O-N 3.04Å; V234-L236 VanDerWaalsContact C-N 3.3Å; V234-L236 PolarHBondContact O-N 2.98Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-L238 PolarHBondContact O-N 3.44Å; L236-S239 PolarHBondContact O-N 2.89Å; L236-S239 PolarHBondContact O-OG 3.25Å; L236-L240 HydrophobicContact CG-CD1 4.43Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.48Å |
| 237 | L | 94.5 | Very high | 90.7 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 177.3 | -68.6 | 175.2 | 0 | 0 | 0 | 112.3 | L233 V234 L240 F241 | L233-L237 HydrophobicContact CG-CD1 4.27Å; L233-L237 WeakPolarHBondContact O-CG 3.27Å; L233-L237 PolarHBondContact O-N 2.85Å; V234-L237 PolarHBondContact O-N 3.47Å; L237-L240 PolarHBondContact O-N 3.01Å; L237-F241 WeakPolarHBondContact O-CB 3.4Å; L237-F241 PolarHBondContact O-N 3.33Å |
| 238 | L | 94.7 | Very high | 91.5 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.8 | -72.7 | 171.5 | 0 | 0 | 0 | 112 | V234 P235 L236 L240 F241 V242 | V234-L238 HydrophobicContact CG1-CD1 4.03Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.32Å; P235-L238 PolarHBondContact O-N 2.92Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-L238 PolarHBondContact O-N 3.44Å; L238-L240 PolarHBondContact O-N 2.9Å; L238-F241 PolarHBondContact O-N 3.08Å; L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 2.74Å |
| 239 | S | 93.9 | Very high | 91.9 | Very high | 61 Ų | 61 | 97.6 Ų | 97.6 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 177.3 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | P235 L236 F241 V242 L243 | P235-S239 WeakPolarHBondContact O-CB 3.33Å; P235-S239 PolarHBondContact O-N 3.45Å; P235-S239 PolarHBondContact O-OG 2.93Å; L236-S239 PolarHBondContact O-N 2.89Å; L236-S239 PolarHBondContact O-OG 3.25Å; S239-F241 VanDerWaalsContact C-N 3.33Å; S239-F241 PolarHBondContact O-N 3.42Å; S239-V242 PolarHBondContact O-N 3.5Å; S239-L243 VanDerWaalsContact O-CB 3.3Å; S239-L243 WeakPolarHBondContact O-CB 3.15Å; S239-L243 PolarHBondContact O-N 3.3Å |
| 240 | L | 95.2 | Very high | 92.1 | Very high | 100 Ų | 100 | 96.4 Ų | 96.4 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 175.4 | -70.2 | 174.2 | 0 | 0 | 0 | 111.6 | L236 L237 L238 G244 | L236-L240 HydrophobicContact CG-CD1 4.43Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.48Å; L237-L240 PolarHBondContact O-N 3.01Å; L238-L240 PolarHBondContact O-N 2.9Å; L240-G244 PolarHBondContact O-N 3.4Å |
| 241 | F | 94.8 | Very high | 92.1 | Very high | 133 Ų | 133 | 96.7 Ų | 96.7 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 176.1 | -176.8 | -105.3 | 0 | 0 | 0 | 111.9 | L237 L238 S239 L243 G244 L245 | L237-F241 WeakPolarHBondContact O-CB 3.4Å; L237-F241 PolarHBondContact O-N 3.33Å; L238-F241 PolarHBondContact O-N 3.08Å; S239-F241 VanDerWaalsContact C-N 3.33Å; S239-F241 PolarHBondContact O-N 3.42Å; F241-L243 PolarHBondContact O-N 2.94Å; F241-G244 PolarHBondContact O-N 3.4Å; F241-L245 HydrophobicContact CD1-CD1 4Å; F241-L245 HydrophobicContact CD1-CG 4.48Å; F241-L245 HydrophobicContact CE1-CD1 3.51Å; F241-L245 HydrophobicContact CE1-CG 4.16Å; F241-L245 HydrophobicContact CZ-CD1 3.96Å; F241-L245 HydrophobicContact CZ-CD2 4.37Å; F241-L245 HydrophobicContact CZ-CG 4.26Å; F241-L245 WeakPolarHBondContact O-CG 3.35Å; F241-L245 PolarHBondContact O-N 3.11Å |
| 242 | V | 95.4 | Very high | 91.9 | Very high | 93 Ų | 93 | 96.3 Ų | 96.3 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 176.6 | 174 | 0 | 0 | 0 | 0 | 111.1 | L238 S239 G244 L245 F246 | L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 2.74Å; S239-V242 PolarHBondContact O-N 3.5Å; V242-G244 VanDerWaalsContact C-N 3.33Å; V242-G244 PolarHBondContact O-N 2.97Å; V242-L245 PolarHBondContact O-N 3.34Å; V242-F246 WeakPolarHBondContact O-CB 3.35Å; V242-F246 PolarHBondContact O-N 3.42Å |
| 243 | L | 95.1 | Very high | 91.1 | Very high | 92 Ų | 92 | 96.5 Ų | 96.5 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.1 | -175.9 | 65.1 | 0 | 0 | 0 | 111.4 | S239 F241 F246 L247 | S239-L243 VanDerWaalsContact O-CB 3.3Å; S239-L243 WeakPolarHBondContact O-CB 3.15Å; S239-L243 PolarHBondContact O-N 3.3Å; F241-L243 PolarHBondContact O-N 2.94Å; L243-F246 PolarHBondContact O-N 3.42Å; L243-L247 HydrophobicContact CD1-CG 4.43Å; L243-L247 HydrophobicContact CG-CD1 4.17Å; L243-L247 HydrophobicContact CG-CG 4.46Å; L243-L247 WeakPolarHBondContact O-CB 3.49Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.45Å; L243-L247 PolarHBondContact O-N 2.94Å |
| 244 | G | 94.2 | Very high | 89.9 | Confident | 39 Ų | 39 | 96.7 Ų | 96.7 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L240 F241 V242 W248 | L240-G244 PolarHBondContact O-N 3.4Å; F241-G244 PolarHBondContact O-N 3.4Å; V242-G244 VanDerWaalsContact C-N 3.33Å; V242-G244 PolarHBondContact O-N 2.97Å; G244-W248 VanDerWaalsContact O-CB 3.3Å; G244-W248 WeakPolarHBondContact O-CB 3.36Å; G244-W248 PolarHBondContact O-N 3.22Å |
| 245 | L | 93.7 | Very high | 88.4 | Confident | 63 Ų | 63 | 98.7 Ų | 98.7 | 33% | 0.33 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 173.9 | -69.8 | 178.9 | 0 | 0 | 0 | 111.4 | F241 V242 W248 F249 | F241-L245 HydrophobicContact CD1-CD1 4Å; F241-L245 HydrophobicContact CD1-CG 4.48Å; F241-L245 HydrophobicContact CE1-CD1 3.51Å; F241-L245 HydrophobicContact CE1-CG 4.16Å; F241-L245 HydrophobicContact CZ-CD1 3.96Å; F241-L245 HydrophobicContact CZ-CD2 4.37Å; F241-L245 HydrophobicContact CZ-CG 4.26Å; F241-L245 WeakPolarHBondContact O-CG 3.35Å; F241-L245 PolarHBondContact O-N 3.11Å; V242-L245 PolarHBondContact O-N 3.34Å; L245-W248 HydrophobicContact CD2-CE3 4.24Å; L245-W248 WeakPolarHBondContact O-CB 3.43Å; L245-W248 PolarHBondContact O-N 2.87Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 2.86Å |
| 246 | F | 93.6 | Very high | 86.9 | Confident | 121 Ų | 121 | 100.7 Ų | 100.7 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 178.9 | -176.8 | -105.6 | 0 | 0 | 0 | 112.1 | V242 L243 W248 F249 L250 | V242-F246 WeakPolarHBondContact O-CB 3.35Å; V242-F246 PolarHBondContact O-N 3.42Å; L243-F246 PolarHBondContact O-N 3.42Å; F246-W248 VanDerWaalsContact C-N 3.3Å; F246-W248 PolarHBondContact O-N 3.27Å; F246-F249 WeakPolarHBondContact O-CB 3.46Å; F246-F249 PolarHBondContact O-N 3.19Å; F246-L250 HydrophobicContact CD1-CD1 3.89Å; F246-L250 HydrophobicContact CD1-CG 4.45Å; F246-L250 HydrophobicContact CE1-CD1 3.43Å; F246-L250 VanDerWaalsContact CE1-CD1 3.43Å; F246-L250 HydrophobicContact CE1-CG 4.14Å; F246-L250 HydrophobicContact CZ-CD1 3.9Å; F246-L250 HydrophobicContact CZ-CD2 4.33Å; F246-L250 HydrophobicContact CZ-CG 4.23Å; F246-L250 WeakPolarHBondContact O-CG 3.18Å; F246-L250 PolarHBondContact O-N 2.93Å |
| 247 | L | 92.4 | Very high | 85.3 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -35.9 | 175.1 | -67.9 | 174.8 | 0 | 0 | 0 | 112.1 | L243 K251 | L243-L247 HydrophobicContact CD1-CG 4.43Å; L243-L247 HydrophobicContact CG-CD1 4.17Å; L243-L247 HydrophobicContact CG-CG 4.46Å; L243-L247 WeakPolarHBondContact O-CB 3.49Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.45Å; L243-L247 PolarHBondContact O-N 2.94Å; L247-K251 WeakPolarHBondContact O-CB 3.3Å; L247-K251 PolarHBondContact O-N 2.87Å |
| 248 | W | 90.7 | Very high | 83.7 | Confident | 147 Ų | 147 | 100.3 Ų | 100.3 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 174 | 179.6 | 53.4 | 0 | 0 | 0 | 112.1 | G244 L245 F246 K251 R252 | G244-W248 VanDerWaalsContact O-CB 3.3Å; G244-W248 WeakPolarHBondContact O-CB 3.36Å; G244-W248 PolarHBondContact O-N 3.22Å; L245-W248 HydrophobicContact CD2-CE3 4.24Å; L245-W248 WeakPolarHBondContact O-CB 3.43Å; L245-W248 PolarHBondContact O-N 2.87Å; F246-W248 VanDerWaalsContact C-N 3.3Å; F246-W248 PolarHBondContact O-N 3.27Å; W248-K251 PolarHBondContact O-N 3.49Å; W248-R252 WeakPolarHBondContact O-CB 3.46Å; W248-R252 PolarHBondContact O-N 3.46Å |
| 249 | F | 87.6 | Confident | 82.2 | Confident | 105 Ų | 105 | 100.1 Ų | 100.1 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 173.7 | -89.6 | -73.5 | 0 | 0 | 0 | 111.8 | L245 F246 K251 R252 E253 | L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 2.86Å; F246-F249 WeakPolarHBondContact O-CB 3.46Å; F246-F249 PolarHBondContact O-N 3.19Å; F249-K251 VanDerWaalsContact C-N 3.32Å; F249-K251 PolarHBondContact O-N 3Å; F249-R252 WeakPolarHBondContact O-CB 3.46Å; F249-R252 PolarHBondContact O-N 3.3Å; F249-R252 VanDerWaalsContact O-N 3.1Å; F249-E253 PolarHBondContact O-N 3.05Å |
| 250 | L | 86.4 | Confident | 80.5 | Confident | 74 Ų | 74 | 104.1 Ų | 104.1 | 39% | 0.387 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 176.4 | -69.4 | 177.3 | 0 | 0 | 0 | 111.6 | F246 R252 E253 T254 | F246-L250 HydrophobicContact CD1-CD1 3.89Å; F246-L250 HydrophobicContact CD1-CG 4.45Å; F246-L250 HydrophobicContact CE1-CD1 3.43Å; F246-L250 VanDerWaalsContact CE1-CD1 3.43Å; F246-L250 HydrophobicContact CE1-CG 4.14Å; F246-L250 HydrophobicContact CZ-CD1 3.9Å; F246-L250 HydrophobicContact CZ-CD2 4.33Å; F246-L250 HydrophobicContact CZ-CG 4.23Å; F246-L250 WeakPolarHBondContact O-CG 3.18Å; F246-L250 PolarHBondContact O-N 2.93Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.92Å; L250-E253 PolarHBondContact O-N 3.49Å; L250-T254 PolarHBondContact O-N 3.22Å; L250-T254 VanDerWaalsContact O-N 3.11Å; L250-T254 PolarHBondContact O-OG1 3.04Å |
| 251 | K | 85.2 | Confident | 78.9 | Confident | 149 Ų | 149 | 106.2 Ų | 106.2 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -36.5 | 176.4 | -175.2 | 177 | 178.2 | -179.2 | 0 | 112.3 | L247 W248 F249 Q255 | L247-K251 WeakPolarHBondContact O-CB 3.3Å; L247-K251 PolarHBondContact O-N 2.87Å; W248-K251 PolarHBondContact O-N 3.49Å; F249-K251 VanDerWaalsContact C-N 3.32Å; F249-K251 PolarHBondContact O-N 3Å; K251-Q255 WeakPolarHBondContact O-CB 3.47Å; K251-Q255 PolarHBondContact O-N 3.1Å |
| 252 | R | 80.4 | Confident | 77.2 | Confident | 106 Ų | 106 | 106.8 Ų | 106.8 | 40% | 0.4 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 177.9 | -166.3 | 178.2 | 94.7 | -163.7 | 4.3 | 111.2 | W248 F249 L250 Q255 E256 | W248-R252 WeakPolarHBondContact O-CB 3.46Å; W248-R252 PolarHBondContact O-N 3.46Å; F249-R252 WeakPolarHBondContact O-CB 3.46Å; F249-R252 PolarHBondContact O-N 3.3Å; F249-R252 VanDerWaalsContact O-N 3.1Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.92Å; R252-Q255 PolarHBondContact O-N 2.83Å; R252-E256 IonicContact NE-OE1 3.79Å; R252-E256 PolarHBondContact O-N 3.25Å |
| 253 | E | 73.1 | Confident | 75.5 | Confident | 122 Ų | 122 | 109.8 Ų | 109.8 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 179.2 | -155.1 | 167.2 | -157.5 | 0 | 0 | 111.3 | F249 L250 Q255 E256 E257 | F249-E253 PolarHBondContact O-N 3.05Å; L250-E253 PolarHBondContact O-N 3.49Å; E253-Q255 VanDerWaalsContact C-N 3.27Å; E253-Q255 PolarHBondContact O-N 3.24Å; E253-E256 PolarHBondContact O-N 3.33Å; E253-E257 PolarHBondContact O-N 2.9Å |
| 254 | T | 66.1 | Low | 73.6 | Confident | 87 Ų | 87 | 114.7 Ų | 114.7 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -30.1 | 173.4 | -36.6 | 0 | 0 | 0 | 0 | 112.7 | L250 S258 | L250-T254 PolarHBondContact O-N 3.22Å; L250-T254 VanDerWaalsContact O-N 3.11Å; L250-T254 PolarHBondContact O-OG1 3.04Å; T254-S258 WeakPolarHBondContact O-CB 3.43Å; T254-S258 PolarHBondContact O-N 3.3Å; T254-S258 PolarHBondContact O-OG 3.47Å |
| 255 | Q | 61.3 | Low | 71.8 | Confident | 112 Ų | 112 | 115.5 Ų | 115.5 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.4 | -35.8 | 176.5 | -160.7 | -179.7 | 6.3 | 0 | 0 | 111.6 | K251 R252 E253 S258 I259 | K251-Q255 WeakPolarHBondContact O-CB 3.47Å; K251-Q255 PolarHBondContact O-N 3.1Å; R252-Q255 PolarHBondContact O-N 2.83Å; E253-Q255 VanDerWaalsContact C-N 3.27Å; E253-Q255 PolarHBondContact O-N 3.24Å; Q255-S258 WeakPolarHBondContact CA-OG 3.39Å; Q255-S258 PolarHBondContact O-OG 3.02Å; Q255-S258 VanDerWaalsContact O-OG 3.1Å; Q255-I259 HydrophobicContact CG-CD1 4.1Å; Q255-I259 WeakPolarHBondContact O-CB 3.44Å; Q255-I259 WeakPolarHBondContact O-CD1 3.2Å; Q255-I259 WeakPolarHBondContact O-CG1 3.4Å; Q255-I259 PolarHBondContact O-N 3.32Å |
| 256 | E | 62.1 | Low | 69.9 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 173.2 | -75.7 | 177.1 | -173.2 | 0 | 0 | 111.4 | R252 E253 I259 E260 | R252-E256 IonicContact NE-OE1 3.79Å; R252-E256 PolarHBondContact O-N 3.25Å; E253-E256 PolarHBondContact O-N 3.33Å; E256-I259 PolarHBondContact O-N 3.1Å; E256-E260 PolarHBondContact O-N 3.06Å |
| 257 | E | 61.6 | Low | 68.1 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.7 | -44.5 | 174.4 | -73 | -177.5 | 158.6 | 0 | 0 | 112.6 | E253 I259 E260 E261 | E253-E257 PolarHBondContact O-N 2.9Å; E257-I259 PolarHBondContact O-N 3.01Å; E257-E260 PolarHBondContact O-N 3.47Å; E257-E261 WeakPolarHBondContact O-CB 3.34Å; E257-E261 PolarHBondContact O-N 2.89Å |
| 258 | S | 60 | Low | 66.1 | Low | 60 Ų | 60 | 117.6 Ų | 117.6 | 42% | 0.42 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.1 | -27 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | T254 Q255 K262 | T254-S258 WeakPolarHBondContact O-CB 3.43Å; T254-S258 PolarHBondContact O-N 3.3Å; T254-S258 PolarHBondContact O-OG 3.47Å; Q255-S258 WeakPolarHBondContact CA-OG 3.39Å; Q255-S258 PolarHBondContact O-OG 3.02Å; Q255-S258 VanDerWaalsContact O-OG 3.1Å; S258-K262 WeakPolarHBondContact O-CB 3.47Å; S258-K262 PolarHBondContact O-N 2.92Å |
| 259 | I | 63.2 | Low | 64.1 | Low | 100 Ų | 100 | 120.4 Ų | 120.4 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.1 | -40.1 | 171.8 | -71.8 | 166 | 0 | 0 | 0 | 110.3 | Q255 E256 E257 K262 K263 | Q255-I259 HydrophobicContact CG-CD1 4.1Å; Q255-I259 WeakPolarHBondContact O-CB 3.44Å; Q255-I259 WeakPolarHBondContact O-CD1 3.2Å; Q255-I259 WeakPolarHBondContact O-CG1 3.4Å; Q255-I259 PolarHBondContact O-N 3.32Å; E256-I259 PolarHBondContact O-N 3.1Å; E257-I259 PolarHBondContact O-N 3.01Å; I259-K262 PolarHBondContact O-N 3.46Å; I259-K263 WeakPolarHBondContact O-CB 3.46Å; I259-K263 PolarHBondContact O-N 2.97Å |
| 260 | E | 59.3 | Low | 62.2 | Low | 145 Ų | 145 | 123.6 Ų | 123.6 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.7 | -41 | 176.5 | -168.4 | 167 | -171.8 | 0 | 0 | 111.9 | E256 E257 K263 R264 | E256-E260 PolarHBondContact O-N 3.06Å; E257-E260 PolarHBondContact O-N 3.47Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.93Å; E260-R264 PolarHBondContact O-N 2.98Å |
| 261 | E | 60.2 | Low | 59.8 | Low | 144 Ų | 144 | 125.9 Ų | 125.9 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.4 | -39.1 | 174.7 | -161 | 179.3 | -161.2 | 0 | 0 | 112 | E257 R264 A265 | E257-E261 WeakPolarHBondContact O-CB 3.34Å; E257-E261 PolarHBondContact O-N 2.89Å; E261-R264 WeakPolarHBondContact O-CB 3.13Å; E261-R264 PolarHBondContact O-N 3.2Å; E261-A265 WeakPolarHBondContact O-CB 3.33Å; E261-A265 PolarHBondContact O-N 3.03Å |
| 262 | K | 59.7 | Low | 57.6 | Low | 146 Ų | 146 | 124.5 Ų | 124.5 | 64% | 0.635 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.8 | -36.8 | 173.6 | -172.5 | 172.2 | -177.6 | 177.4 | 0 | 112.4 | S258 I259 R264 A265 D266 | S258-K262 WeakPolarHBondContact O-CB 3.47Å; S258-K262 PolarHBondContact O-N 2.92Å; I259-K262 PolarHBondContact O-N 3.46Å; K262-R264 VanDerWaalsContact C-N 3.33Å; K262-A265 PolarHBondContact O-N 2.98Å; K262-D266 PolarHBondContact O-N 2.97Å |
| 263 | K | 58.8 | Low | 55.4 | Low | 155 Ų | 155 | 127.2 Ų | 127.2 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.8 | -36.6 | 173.8 | -138.3 | 177.7 | -175.1 | -177.8 | 0 | 111.5 | I259 E260 I267 | I259-K263 WeakPolarHBondContact O-CB 3.46Å; I259-K263 PolarHBondContact O-N 2.97Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.93Å; K263-I267 WeakPolarHBondContact O-CD1 3.3Å; K263-I267 VanDerWaalsContact O-CG1 3.3Å; K263-I267 WeakPolarHBondContact O-CG1 3.44Å; K263-I267 PolarHBondContact O-N 3.13Å |
| 264 | R | 56.5 | Low | 53.5 | Low | 196 Ų | 196 | 129.7 Ų | 129.7 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.2 | -35.7 | 174.7 | -158.4 | -174.3 | -132.4 | -151.1 | 4.7 | 112.7 | E260 E261 K262 C268 | E260-R264 PolarHBondContact O-N 2.98Å; E261-R264 WeakPolarHBondContact O-CB 3.13Å; E261-R264 PolarHBondContact O-N 3.2Å; K262-R264 VanDerWaalsContact C-N 3.33Å; R264-C268 PolarHBondContact O-N 3.3Å |
| 265 | A | 55.4 | Low | 52 | Low | 55 Ų | 55 | 136.9 Ų | 136.9 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -73.1 | -33.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E261 K262 C268 | E261-A265 WeakPolarHBondContact O-CB 3.33Å; E261-A265 PolarHBondContact O-N 3.03Å; K262-A265 PolarHBondContact O-N 2.98Å; A265-C268 PolarHBondContact O-N 3.47Å |
| 266 | D | 54.2 | Low | 51.2 | Low | 92 Ų | 92 | 136.7 Ų | 136.7 | 49% | 0.492 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -69.7 | -35.7 | 173.9 | -96.3 | -16.3 | 0 | 0 | 0 | 112.3 | K262 C268 R269 | K262-D266 PolarHBondContact O-N 2.97Å; D266-C268 PolarHBondContact O-N 3.32Å; D266-R269 PolarHBondContact O-N 3.41Å; D266-R269 VanDerWaalsContact O-N 3.13Å |
| 267 | I | 55.8 | Low | 49.6 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 66% | 0.662 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -63.8 | -30.2 | 174.9 | -66.3 | 165.6 | 0 | 0 | 0 | 111.7 | K263 R269 | K263-I267 WeakPolarHBondContact O-CD1 3.3Å; K263-I267 VanDerWaalsContact O-CG1 3.3Å; K263-I267 WeakPolarHBondContact O-CG1 3.44Å; K263-I267 PolarHBondContact O-N 3.13Å; I267-R269 VanDerWaalsContact C-N 3.33Å; I267-R269 PolarHBondContact O-N 3.39Å |
| 268 | C | 51.2 | Low | 48.3 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 72% | 0.723 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -5.7 | 176.8 | -73.2 | 0 | 0 | 0 | 0 | 114.6 | R264 A265 D266 | R264-C268 PolarHBondContact O-N 3.3Å; A265-C268 PolarHBondContact O-N 3.47Å; D266-C268 PolarHBondContact O-N 3.32Å |
| 269 | R | 48.2 | Very low | 47 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -11 | 177.9 | -87.8 | -177.1 | 172.2 | 147.5 | -1.6 | 114.4 | D266 I267 | D266-R269 PolarHBondContact O-N 3.41Å; D266-R269 VanDerWaalsContact O-N 3.13Å; I267-R269 VanDerWaalsContact C-N 3.33Å; I267-R269 PolarHBondContact O-N 3.39Å |
| 270 | E | 46.4 | Very low | 45.6 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -96.9 | 26.5 | -174.8 | -88.9 | -166.9 | 166.9 | 0 | 0 | 115.7 | ||
| 271 | T | 36.7 | Very low | 44.3 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | -132.2 | 110.2 | 168.2 | -45.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 272 | P | 38.8 | Very low | 43.1 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -75.9 | 136.8 | 174.4 | -9.4 | 25.6 | 0 | 0 | 0 | 112.1 | ||||
| 273 | N | 35.6 | Very low | 41.8 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -50.4 | 130.5 | 172.5 | -72.9 | -66.6 | 0 | 0 | 0 | 114.8 | ||||
| 274 | I | 32.3 | Very low | 40.5 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | trans | -136.9 | 138.3 | 144.1 | -61.8 | -176.5 | 0 | 0 | 0 | 109.7 | ||||
| 275 | R | 33.9 | Very low | 39.4 | Very low | 238 Ų | 238 | 147.1 Ų | 147.1 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -65.8 | 162.7 | -168.7 | -101.7 | -176.7 | -94.9 | -171.5 | -7.8 | 115.8 | ||||
| 276 | P | 45.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -88.8 | 149.4 | -174 | 36.4 | -31.7 | 0 | 0 | 0 | 112.3 | ||||
| 277 | Y | 27.5 | Very low | 38.2 | Very low | 234 Ų | 234 | 152.8 Ų | 152.8 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | trans | -164.1 | 131.2 | 151.8 | -115.4 | -79.4 | 0 | 0 | 0 | 113.1 | ||||
| 278 | S | 35.6 | Very low | 37.6 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 77.2 | 128.9 | 145.8 | -147.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 279 | G | 32.8 | Very low | 36.8 | Very low | 67 Ų | 67 | 157 Ų | 157 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | 108.4 | 89.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 280 | E | 32.4 | Very low | 36.2 | Very low | 173 Ų | 173 | 152.2 Ų | 152.2 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | 81.3 | 123.4 | 95.5 | -111.9 | -156.6 | 156 | 0 | 0 | 115.2 | |||||
| 281 | N | 31.8 | Very low | 35.8 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 60% | 0.604 | 80% | 0.798 | S | S | * | * | trans | 107.9 | 108.5 | 141 | -54.5 | -16.7 | 0 | 0 | 0 | 119.4 | ||||
| 282 | T | 35.7 | Very low | 35.7 | Very low | 128 Ų | 128 | 155.7 Ų | 155.7 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 56.5 | 121.6 | 133.6 | 58.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 283 | E | 32.7 | Very low | 35.5 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | 177.4 | 140 | 104.3 | -167.8 | 158.3 | -170.6 | 0 | 0 | 109.7 | |||||
| 284 | Y | 31.2 | Very low | 36 | Very low | 217 Ų | 217 | 155 Ų | 155 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -77 | 146.4 | -176.5 | -71.6 | -97.3 | 0 | 0 | 0 | 111 | ||||
| 285 | D | 34.7 | Very low | 36.4 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -144.7 | 136.6 | 136.1 | -146.6 | -7.9 | 0 | 0 | 0 | 111.5 | ||||
| 286 | T | 37.9 | Very low | 36.5 | Very low | 109 Ų | 109 | 149 Ų | 149 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -133 | 107.9 | -170.6 | -64.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 287 | I | 45.1 | Very low | 36.1 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -157.3 | 162.8 | 145.8 | 4.8 | -175.9 | 0 | 0 | 0 | 112.1 | ||||
| 288 | P | 43.2 | Very low | 36.4 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -125.8 | 178.7 | -120.5 | 34 | -10.9 | 0 | 0 | 0 | 114.3 | |||||
| 289 | Y | 35 | Very low | 36.8 | Very low | 209 Ų | 209 | 146.7 Ų | 146.7 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -42.5 | 142.9 | 169.3 | -114.3 | -103 | 0 | 0 | 0 | 115.7 | N291 | Y289-N291 HydrophobicContact CD1-CB 3.92Å; Y289-N291 HydrophobicContact CE1-CB 4Å | ||
| 290 | A | 35.2 | Very low | 37.2 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -136.6 | 105.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 291 | N | 38 | Very low | 37.4 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -96 | 134.2 | 167.2 | -160.3 | 4.1 | 0 | 0 | 0 | 107.5 | Y289 | Y289-N291 HydrophobicContact CD1-CB 3.92Å; Y289-N291 HydrophobicContact CE1-CB 4Å | ||
| 292 | R | 34.2 | Very low | 37.8 | Very low | 235 Ų | 235 | 148.6 Ų | 148.6 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -146.6 | 94.7 | 164.8 | -125.8 | -179.1 | -160.4 | 177.7 | 5.8 | 111.1 | ||||
| 293 | T | 35.3 | Very low | 38 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | 35.1 | 119.4 | 128.6 | -11.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 294 | I | 45.3 | Very low | 38 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -62.5 | 152.2 | 157.6 | -57.5 | 162.8 | 0 | 0 | 0 | 110.2 | ||||
| 295 | P | 40.9 | Very low | 38.3 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | -133.3 | 160.7 | 120.3 | 10.9 | 11.6 | 0 | 0 | 0 | 114.9 | |||||
| 296 | M | 37.3 | Very low | 38.8 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -85.3 | 176.2 | -169.3 | -159.4 | 170.1 | 88.9 | 0 | 0 | 113.8 | ||||
| 297 | E | 36 | Very low | 39.1 | Very low | 163 Ų | 163 | 147 Ų | 147 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 84.7 | 118.2 | 161.7 | -68.9 | -176.8 | 154.9 | 0 | 0 | 118.2 | ||||
| 298 | D | 34.8 | Very low | 38.8 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | -159.9 | 145.7 | 95.8 | -139 | -16.9 | 0 | 0 | 0 | 112.4 | |||||
| 299 | A | 42.9 | Very low | 38.9 | Very low | 90 Ų | 90 | 150.3 Ų | 150.3 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -117 | 130.2 | 179 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 300 | A | 40.9 | Very low | 39.4 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -153.1 | 103 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 301 | N | 36.9 | Very low | 39.6 | Very low | 154 Ų | 154 | 150.8 Ų | 150.8 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | 24.2 | 133 | 136.2 | -64.5 | -8.2 | 0 | 0 | 0 | 121.8 | ||||
| 302 | T | 39.9 | Very low | 39.5 | Very low | 142 Ų | 142 | 152 Ų | 152 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | 165.3 | 155 | 114 | 31.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 303 | L | 40.2 | Very low | 39.9 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | cis | -174.4 | 125.1 | -26.1 | 176.1 | 90.4 | 0 | 0 | 0 | 103.2 | ||||
| 304 | Y | 33.6 | Very low | 40.1 | Very low | 232 Ų | 232 | 149.9 Ų | 149.9 | 91% | 0.91 | 81% | 0.807 | S | S | * | * | trans | -77.6 | 147.5 | 177 | -75.7 | -96.1 | 0 | 0 | 0 | 111.6 | ||||
| 305 | S | 38.2 | Very low | 39.8 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -124.4 | 113.4 | 162.6 | -175 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 306 | T | 44 | Very low | 40.2 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 137.6 | 173.5 | -54.4 | 0 | 0 | 0 | 0 | 110 | ||
| 307 | V | 45.2 | Very low | 40.2 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 122.9 | 173.2 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 308 | E | 38.5 | Very low | 40.2 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 140 | 175.6 | -76.7 | 179.4 | 135.1 | 0 | 0 | 112.5 | ||
| 309 | I | 45.4 | Very low | 40.3 | Very low | 158 Ų | 158 | 147 Ų | 147 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 127.8 | 170.7 | -58.5 | 168.8 | 0 | 0 | 0 | 108.3 | ||
| 310 | P | 45.3 | Very low | 40 | Very low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 138.2 | 174.7 | -13.3 | 27.6 | 0 | 0 | 0 | 112.3 | ||
| 311 | K | 38.5 | Very low | 39.6 | Very low | 204 Ų | 204 | 152.1 Ų | 152.1 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 141 | 178.1 | -75.3 | 175.5 | 176.9 | 173.4 | 0 | 112.7 | ||
| 312 | K | 37.3 | Very low | 39.6 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 126.6 | 162.8 | -176 | -172.8 | 177.9 | -151.3 | 0 | 110.7 | E314 | K312-E314 WeakPolarHBondContact CE-OE1 3.4Å; K312-E314 IonicContact NZ-OE1 2.58Å; K312-E314 PolarHBondContact NZ-OE1 3.05Å; K312-E314 IonicContact NZ-OE2 2.74Å; K312-E314 PolarHBondContact NZ-OE2 3.36Å |
| 313 | I | 42 | Very low | 40.1 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 131.9 | 164.6 | -98.3 | 170.1 | 0 | 0 | 0 | 108.6 | ||
| 314 | E | 39.2 | Very low | 39.9 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -133.3 | 148.7 | 174.8 | -152.8 | 159 | -137.9 | 0 | 0 | 107.4 | K312 | K312-E314 WeakPolarHBondContact CE-OE1 3.4Å; K312-E314 IonicContact NZ-OE1 2.58Å; K312-E314 PolarHBondContact NZ-OE1 3.05Å; K312-E314 IonicContact NZ-OE2 2.74Å; K312-E314 PolarHBondContact NZ-OE2 3.36Å | ||
| 315 | N | 38 | Very low | 40.5 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 89 | 162.1 | 167.7 | -103.2 | -5.6 | 0 | 0 | 0 | 120.5 | ||||
| 316 | P | 49.4 | Very low | 41 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -136.7 | -178.4 | -31.9 | 28.5 | -6.3 | 0 | 0 | 0 | 115.3 | ||||
| 317 | H | 38.3 | Very low | 40.7 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -43.9 | 157.3 | 177.2 | -65.3 | -77.2 | 0 | 0 | 0 | 122.6 | ||||
| 318 | S | 36.4 | Very low | 40.5 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | -166.8 | 111.8 | 127.1 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 319 | L | 36.7 | Very low | 40.5 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | 70.3 | 112.4 | 91.3 | -98 | 164.2 | 0 | 0 | 0 | 115.6 | |||||
| 320 | L | 36.3 | Very low | 40.3 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -149.9 | 129.4 | 148.9 | -125.4 | 147 | 0 | 0 | 0 | 110.7 | ||||
| 321 | T | 32.8 | Very low | 40.2 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | -85.9 | 148.5 | -166.7 | -48 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 322 | M | 37.3 | Very low | 40.8 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -57.7 | 166.4 | 168.6 | -66.7 | -73.8 | -67.1 | 0 | 0 | 113 | ||||
| 323 | P | 50.8 | Low | 41.1 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | -147.1 | 179.7 | 81.2 | 28.4 | -4.2 | 0 | 0 | 0 | 112.1 | |||||
| 324 | D | 35.7 | Very low | 41.2 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | cis | -162.6 | 160.7 | -7 | -113.6 | -33.4 | 0 | 0 | 0 | 107.2 | ||||
| 325 | T | 45.8 | Very low | 41.7 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -84.9 | 158.5 | 174.3 | -41.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 326 | P | 47.8 | Very low | 41.8 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -124.4 | 117.3 | 148.8 | 28.6 | -13.1 | 0 | 0 | 0 | 114.1 | ||||
| 327 | R | 38.2 | Very low | 41.4 | Very low | 210 Ų | 210 | 155.7 Ų | 155.7 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | 25.9 | 123.4 | 138 | -72.8 | -178.2 | 174.5 | 172.9 | -1.9 | 121 | F329 | R327-F329 HydrophobicContact CB-CD2 4.42Å; R327-F329 HydrophobicContact CB-CE2 4.17Å | ||
| 328 | L | 40.6 | Very low | 41.6 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -53.7 | 137.3 | 142.1 | -100 | 85.4 | 0 | 0 | 0 | 111.1 | ||||
| 329 | F | 39.8 | Very low | 41.9 | Very low | 152 Ų | 152 | 156.9 Ų | 156.9 | 67% | 0.667 | 82% | 0.824 | S | S | * | * | trans | -120.1 | 118 | 155.4 | -84.9 | -83.4 | 0 | 0 | 0 | 109.4 | R327 | R327-F329 HydrophobicContact CB-CD2 4.42Å; R327-F329 HydrophobicContact CB-CE2 4.17Å | ||
| 330 | A | 40.3 | Very low | 42.3 | Very low | 91 Ų | 91 | 157 Ų | 157 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -75 | 146.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 331 | Y | 44.5 | Very low | 42.7 | Very low | 214 Ų | 214 | 155.7 Ų | 155.7 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -126 | 125.4 | 160.2 | -93.2 | -86.4 | 0 | 0 | 0 | 109.1 | ||||
| 332 | E | 50.2 | Low | 43.4 | Very low | 188 Ų | 188 | 158.4 Ų | 158.4 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -74.2 | 154.7 | 170.3 | -83.1 | 170.2 | 130.5 | 0 | 0 | 112.1 | ||||
| 333 | N | 42.5 | Very low | 43.8 | Very low | 161 Ų | 161 | 158.8 Ų | 158.8 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -77.7 | 132 | 164.1 | -67.4 | -35.9 | 0 | 0 | 0 | 111.3 | ||||
| 334 | V | 44.1 | Very low | 43.2 | Very low | 140 Ų | 140 | 163 Ų | 163 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | trans | -167.1 | 120.1 | 140 | -162.3 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 335 | I | 49.7 | Very low | 43.9 | Very low | 237 Ų | 237 | 164.5 Ų | 164.5 | 100% | 1.215 | 85% | 0.845 | S | S | * | * | -149.1 | 0 | 55.9 | -71.3 | 167.7 | 0 | 0 | 0 | 108.5 |
Retrieved 335 of 335 residues in 342 ms
(Link to these results)