| 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 | 58.8 | Low | 65.9 | Low | 204 Ų | 204 | 122.8 Ų | 122.8 | 100% | 1.005 | 63% | 0.626 | S | S | * | * | 0 | 18.7 | 0 | -57.1 | -142.4 | -83.7 | 0 | 0 | 114.5 | F5 | M1-F5 WeakPolarHBondContact O-CD2 3.23Å; M1-F5 VanDerWaalsContact O-CE2 3.25Å; M1-F5 WeakPolarHBondContact O-CE2 3.28Å | |||
| 2 | K | 59.5 | Low | 65.4 | Low | 178 Ų | 178 | 121.5 Ų | 121.5 | 77% | 0.774 | 62% | 0.62 | S | S | * | * | trans | -103.1 | -26.2 | 178.2 | -96.7 | 170.2 | 161.1 | -179.7 | 0 | 113.8 | F5 L6 | K2-F5 PolarHBondContact O-N 3.03Å; K2-L6 PolarHBondContact O-N 3.11Å | ||
| 3 | S | 60.8 | Low | 65.1 | Low | 71 Ų | 71 | 118.8 Ų | 118.8 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.5 | -38.6 | -179.9 | 46.4 | 0 | 0 | 0 | 0 | 112.8 | F5 L6 F7 | S3-F5 VanDerWaalsContact C-N 3.26Å; S3-F5 PolarHBondContact O-N 3.31Å; S3-L6 PolarHBondContact O-N 3.38Å; S3-L6 VanDerWaalsContact O-N 3.11Å; S3-F7 VanDerWaalsContact O-CD2 3.28Å; S3-F7 WeakPolarHBondContact O-CD2 3.44Å; S3-F7 PolarHBondContact O-N 3.48Å |
| 4 | L | 67.8 | Low | 64.5 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.8 | -38 | 177.7 | -70.5 | 167.5 | 0 | 0 | 0 | 112.3 | F7 L8 | L4-F7 PolarHBondContact O-N 3.14Å; L4-L8 PolarHBondContact O-N 2.84Å |
| 5 | F | 69.4 | Low | 63.8 | Low | 151 Ų | 151 | 117.7 Ų | 117.7 | 66% | 0.662 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.6 | -35.3 | 177.2 | -69.2 | -78.4 | 0 | 0 | 0 | 112.7 | M1 K2 S3 L8 A9 | M1-F5 WeakPolarHBondContact O-CD2 3.23Å; M1-F5 VanDerWaalsContact O-CE2 3.25Å; M1-F5 WeakPolarHBondContact O-CE2 3.28Å; K2-F5 PolarHBondContact O-N 3.03Å; S3-F5 VanDerWaalsContact C-N 3.26Å; S3-F5 PolarHBondContact O-N 3.31Å; F5-L8 PolarHBondContact O-N 3.39Å; F5-A9 WeakPolarHBondContact O-CB 3.36Å; F5-A9 PolarHBondContact O-N 2.98Å |
| 6 | L | 72 | Confident | 62.8 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.2 | -42 | 175.5 | -68.6 | 170.5 | 0 | 0 | 0 | 111.1 | K2 S3 A9 I10 | K2-L6 PolarHBondContact O-N 3.11Å; S3-L6 PolarHBondContact O-N 3.38Å; S3-L6 VanDerWaalsContact O-N 3.11Å; L6-A9 PolarHBondContact O-N 2.98Å; L6-I10 WeakPolarHBondContact O-CD1 3.35Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.41Å; L6-I10 PolarHBondContact O-N 3.32Å |
| 7 | F | 66.4 | Low | 61.9 | Low | 138 Ų | 138 | 115.7 Ų | 115.7 | 61% | 0.605 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.2 | -41.2 | 173.8 | -82.6 | -73.5 | 0 | 0 | 0 | 112.2 | S3 L4 I10 L11 | S3-F7 VanDerWaalsContact O-CD2 3.28Å; S3-F7 WeakPolarHBondContact O-CD2 3.44Å; S3-F7 PolarHBondContact O-N 3.48Å; L4-F7 PolarHBondContact O-N 3.14Å; F7-I10 PolarHBondContact O-N 2.94Å; F7-L11 WeakPolarHBondContact O-CB 3.31Å; F7-L11 WeakPolarHBondContact O-CG 3.45Å; F7-L11 PolarHBondContact O-N 3.45Å |
| 8 | L | 66.6 | Low | 61.2 | Low | 105 Ų | 105 | 116.6 Ų | 116.6 | 55% | 0.55 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.1 | -42.8 | 174.6 | -121.9 | 96.8 | 0 | 0 | 0 | 112.1 | L4 F5 I10 L11 L12 | L4-L8 PolarHBondContact O-N 2.84Å; F5-L8 PolarHBondContact O-N 3.39Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 2.93Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.38Å |
| 9 | A | 69.1 | Low | 60.5 | Low | 54 Ų | 54 | 118 Ų | 118 | 45% | 0.446 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.5 | -37.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F5 L6 A13 | F5-A9 WeakPolarHBondContact O-CB 3.36Å; F5-A9 PolarHBondContact O-N 2.98Å; L6-A9 PolarHBondContact O-N 2.98Å; A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.25Å; A9-A13 PolarHBondContact O-N 2.94Å |
| 10 | I | 69.6 | Low | 60.1 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 52% | 0.518 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.9 | -45.5 | 175.2 | -64.9 | 161.8 | 0 | 0 | 0 | 110.1 | L6 F7 L8 L12 A13 T14 | L6-I10 WeakPolarHBondContact O-CD1 3.35Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.41Å; L6-I10 PolarHBondContact O-N 3.32Å; F7-I10 PolarHBondContact O-N 2.94Å; L8-I10 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 2.97Å; I10-A13 PolarHBondContact O-N 3.44Å; I10-T14 HydrophobicContact CG2-CG2 4.28Å; I10-T14 WeakPolarHBondContact O-CB 3.2Å; I10-T14 WeakPolarHBondContact O-CG2 3.4Å; I10-T14 PolarHBondContact O-N 3.42Å; I10-T14 PolarHBondContact O-OG1 3.45Å |
| 11 | L | 64.5 | Low | 59.4 | Low | 111 Ų | 111 | 112.6 Ų | 112.6 | 58% | 0.581 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -57.4 | -48.4 | 176.8 | -76.5 | 165.8 | 0 | 0 | 0 | 111.2 | F7 L8 A13 T14 E15 | F7-L11 WeakPolarHBondContact O-CB 3.31Å; F7-L11 WeakPolarHBondContact O-CG 3.45Å; F7-L11 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 2.93Å; L11-A13 PolarHBondContact O-N 2.95Å; L11-T14 WeakPolarHBondContact CA-OG1 3.35Å; L11-T14 CarbonylContact O-C 3.32Å; L11-T14 VanDerWaalsContact O-C 3.32Å; L11-T14 PolarHBondContact O-N 2.71Å; L11-T14 VanDerWaalsContact O-N 3.14Å; L11-T14 PolarHBondContact O-OG1 2.91Å; L11-E15 WeakPolarHBondContact O-CG 3.43Å; L11-E15 PolarHBondContact O-N 3.45Å |
| 12 | L | 60.2 | Low | 58.9 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 56% | 0.56 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.2 | -37.7 | 175.4 | -77.8 | 163.9 | 0 | 0 | 0 | 113.3 | L8 I10 T14 E15 | L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.38Å; I10-L12 PolarHBondContact O-N 2.97Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-E15 PolarHBondContact O-N 3.18Å |
| 13 | A | 61.8 | Low | 58.9 | Low | 86 Ų | 86 | 112.5 Ų | 112.5 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.7 | -27.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A9 I10 L11 | A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.25Å; A9-A13 PolarHBondContact O-N 2.94Å; I10-A13 PolarHBondContact O-N 3.44Å; L11-A13 PolarHBondContact O-N 2.95Å |
| 14 | T | 57 | Low | 59 | Low | 85 Ų | 85 | 116.9 Ų | 116.9 | 52% | 0.521 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | 6.8 | 174.7 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | I10 L11 L12 V16 | I10-T14 HydrophobicContact CG2-CG2 4.28Å; I10-T14 WeakPolarHBondContact O-CB 3.2Å; I10-T14 WeakPolarHBondContact O-CG2 3.4Å; I10-T14 PolarHBondContact O-N 3.42Å; I10-T14 PolarHBondContact O-OG1 3.45Å; L11-T14 WeakPolarHBondContact CA-OG1 3.35Å; L11-T14 CarbonylContact O-C 3.32Å; L11-T14 VanDerWaalsContact O-C 3.32Å; L11-T14 PolarHBondContact O-N 2.71Å; L11-T14 VanDerWaalsContact O-N 3.14Å; L11-T14 PolarHBondContact O-OG1 2.91Å; L12-T14 VanDerWaalsContact C-N 3.34Å; T14-V16 PolarHBondContact O-N 2.93Å |
| 15 | E | 53.7 | Low | 59.3 | Low | 136 Ų | 136 | 116.2 Ų | 116.2 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | trans | -67.4 | 66.3 | 154.7 | -62.6 | -166.3 | -167.6 | 0 | 0 | 107.6 | L11 L12 P17 | L11-E15 WeakPolarHBondContact O-CG 3.43Å; L11-E15 PolarHBondContact O-N 3.45Å; L12-E15 PolarHBondContact O-N 3.18Å; E15-P17 WeakPolarHBondContact O-CD 3.38Å | ||
| 16 | V | 48.2 | Very low | 60 | Low | 105 Ų | 105 | 113.3 Ų | 113.3 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -40.7 | 118 | 148.2 | 177.6 | 0 | 0 | 0 | 0 | 103.7 | T14 V18 | T14-V16 PolarHBondContact O-N 2.93Å; V16-V18 PolarHBondContact O-N 2.9Å | ||
| 17 | P | 47.9 | Very low | 60.8 | Low | 97 Ų | 97 | 115.1 Ų | 115.1 | 63% | 0.63 | 61% | 0.613 | S | S | * | * | trans | -66.7 | 92.8 | -178 | 27 | -31.6 | 0 | 0 | 0 | 106.1 | E15 I19 | E15-P17 WeakPolarHBondContact O-CD 3.38Å; P17-I19 HydrophobicContact CB-CB 4.22Å; P17-I19 HydrophobicContact CB-CD1 4.37Å; P17-I19 HydrophobicContact CB-CG1 4.16Å; P17-I19 PolarHBondContact O-N 2.96Å; P17-I19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | V | 48.7 | Very low | 61.7 | Low | 132 Ų | 132 | 109.1 Ų | 109.1 | 80% | 0.8 | 59% | 0.588 | S | S | * | * | trans | -73.6 | 24.9 | 153.3 | -163.4 | 0 | 0 | 0 | 0 | 108.3 | V16 S20 | V16-V18 PolarHBondContact O-N 2.9Å; V18-S20 PolarHBondContact O-N 2.78Å | ||
| 19 | I | 48.1 | Very low | 62.6 | Low | 143 Ų | 143 | 107.8 Ų | 107.8 | 73% | 0.733 | 58% | 0.58 | S | S | * | * | trans | -70.9 | 66.2 | 152.5 | -45.9 | 175.3 | 0 | 0 | 0 | 106.8 | P17 G21 | P17-I19 HydrophobicContact CB-CB 4.22Å; P17-I19 HydrophobicContact CB-CD1 4.37Å; P17-I19 HydrophobicContact CB-CG1 4.16Å; P17-I19 PolarHBondContact O-N 2.96Å; P17-I19 VanDerWaalsContact O-N 3.07Å; I19-G21 PolarHBondContact O-N 2.98Å | ||
| 20 | S | 51.8 | Low | 63.2 | Low | 67 Ų | 67 | 108.9 Ų | 108.9 | 47% | 0.469 | 60% | 0.596 | S | S | . | * | trans | -76.3 | 48.8 | 148.8 | -159.7 | 0 | 0 | 0 | 0 | 107.6 | V18 K22 R23 | V18-S20 PolarHBondContact O-N 2.78Å; S20-K22 PolarHBondContact O-N 2.79Å; S20-R23 WeakPolarHBondContact OG-CG 3.45Å | ||
| 21 | G | 46.2 | Very low | 63.8 | Low | 56 Ų | 56 | 109.1 Ų | 109.1 | 58% | 0.577 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 115.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | I19 | I19-G21 PolarHBondContact O-N 2.98Š|
| 22 | K | 48.1 | Very low | 64.8 | Low | 178 Ų | 178 | 105.9 Ų | 105.9 | 77% | 0.774 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.7 | 84.8 | -166.7 | -83.5 | 174.8 | 169.5 | 173.4 | 0 | 112.4 | S20 H24 | S20-K22 PolarHBondContact O-N 2.79Å; K22-H24 PolarHBondContact O-N 2.66Å |
| 23 | R | 58.7 | Low | 66.1 | Low | 201 Ų | 201 | 100.9 Ų | 100.9 | 76% | 0.758 | 56% | 0.56 | S | S | * | * | trans | -58 | 93.2 | 153.3 | -70.2 | 178.7 | -171.7 | 148 | 0.7 | 107.5 | S20 I25 | S20-R23 WeakPolarHBondContact OG-CG 3.45Å; R23-I25 PolarHBondContact O-N 3.07Å | ||
| 24 | H | 63 | Low | 67.5 | Low | 164 Ų | 164 | 99.1 Ų | 99.1 | 76% | 0.759 | 54% | 0.538 | S | S | * | . | trans | -53.8 | 117.6 | 164.1 | -81 | -90.3 | 0 | 0 | 0 | 105.9 | K22 L26 | K22-H24 PolarHBondContact O-N 2.66Å; H24-L26 PolarHBondContact O-N 2.9Å | ||
| 25 | I | 73.8 | Confident | 69.1 | Low | 106 Ų | 106 | 95.7 Ų | 95.7 | 54% | 0.544 | 52% | 0.517 | S | S | . | . | trans | -66.6 | 94.2 | -179.8 | -62.8 | 177.4 | 0 | 0 | 0 | 105.6 | R23 R27 I34 | R23-I25 PolarHBondContact O-N 3.07Å; I25-R27 HydrophobicContact CG2-CG 4.27Å; I25-R27 PolarHBondContact O-N 3.44Å; I25-R27 VanDerWaalsContact O-N 3.13Å; I25-I34 HydrophobicContact CG2-CB 4.34Å; I25-I34 HydrophobicContact CG2-CD1 3.94Å; I25-I34 HydrophobicContact CG2-CG1 3.85Å; I25-I34 HydrophobicContact CG2-CG2 3.62Å | ||
| 26 | L | 85.7 | Confident | 70.8 | Confident | 90 Ų | 90 | 93.1 Ų | 93.1 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | trans | -72.1 | 110.1 | 175.1 | -170.8 | 74.5 | 0 | 0 | 0 | 106.4 | H24 C35 C49 | H24-L26 PolarHBondContact O-N 2.9Å; L26-C35 HydrophobicContact CB-CB 4.02Å; L26-C35 HydrophobicContact CD2-CB 4.15Å; L26-C35 HydrophobicContact CG-CB 4.39Å; L26-C35 WeakPolarHBondContact O-CB 3.41Å; L26-C35 PolarHBondContact O-N 2.05Å; L26-C35 PolarHBondContact O-SG 2.88Å; L26-C35 VanDerWaalsContact O-SG 3.4Å; L26-C49 HydrophobicContact CD2-CB 4.43Å | ||
| 27 | R | 88 | Confident | 72.8 | Confident | 155 Ų | 155 | 92.5 Ų | 92.5 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 148.3 | 178.8 | -67.8 | -176.9 | 179.9 | -175.3 | -2.2 | 109.6 | I25 N31 G33 | I25-R27 HydrophobicContact CG2-CG 4.27Å; I25-R27 PolarHBondContact O-N 3.44Å; I25-R27 VanDerWaalsContact O-N 3.13Å; R27-N31 VanDerWaalsContact CB-OD1 3.31Å; R27-N31 WeakPolarHBondContact CB-OD1 3.4Å; R27-N31 WeakPolarHBondContact CD-OD1 3.28Å; R27-G33 WeakPolarHBondContact CA-O 3.01Å |
| 28 | C | 86.1 | Confident | 74.7 | Confident | 13 Ų | 13 | 92.4 Ų | 92.4 | 9% | 0.088 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 165.9 | 176.8 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | G30 N31 S32 G33 I34 C55 | C28-G30 PolarHBondContact O-N 3.4Å; C28-N31 PolarHBondContact O-N 3.01Å; C28-N31 VanDerWaalsContact O-N 3.16Å; C28-S32 PolarHBondContact O-N 3.35Å; C28-G33 PolarHBondContact N-O 3.22Å; C28-G33 PolarHBondContact O-N 2.92Å; C28-I34 PolarHBondContact SG-N 2.02Å; C28-C55 HydrophobicContact CB-CB 3.83Å; C28-C55 WeakPolarHBondContact CB-SG 3.31Å; C28-C55 VanDerWaalsContact SG-CA 3.53Å; C28-C55 WeakPolarHBondContact SG-CB 3.45Å; C28-C55 CovalentContact SG-SG 2.02Å; C28-C55 PolarHBondContact SG-SG 2.8Å |
| 29 | M | 84.1 | Confident | 76.7 | Confident | 76 Ų | 76 | 87.5 Ų | 87.5 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 49.9 | 171.6 | -161.2 | 137.1 | -171.7 | 0 | 0 | 113.5 | N31 S32 L47 L57 I63 | M29-N31 VanDerWaalsContact C-N 3.34Å; M29-N31 PolarHBondContact O-N 3.3Å; M29-S32 WeakPolarHBondContact CB-OG 3.49Å; M29-S32 PolarHBondContact O-N 2.02Å; M29-S32 PolarHBondContact O-OG 2.86Å; M29-L47 HydrophobicContact SD-CD2 3.82Å; M29-L57 HydrophobicContact CB-CD1 4.43Å; M29-L57 HydrophobicContact CG-CD1 4.29Å; M29-L57 HydrophobicContact SD-CD1 3.55Å; M29-L57 VanDerWaalsContact SD-CD1 3.55Å; M29-I63 HydrophobicContact CE-CB 4.09Å; M29-I63 HydrophobicContact CE-CD1 3.79Å; M29-I63 HydrophobicContact CE-CG1 3.95Å; M29-I63 HydrophobicContact CE-CG2 3.15Å; M29-I63 HydrophobicContact SD-CD1 3.97Å |
| 30 | G | 82.1 | Confident | 78.7 | Confident | 77 Ų | 77 | 86.6 Ų | 86.6 | 79% | 0.794 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C28 S32 | C28-G30 PolarHBondContact O-N 3.4Å; G30-S32 VanDerWaalsContact C-N 3.29Å; G30-S32 PolarHBondContact O-N 2.84Å |
| 31 | N | 82.8 | Confident | 80.4 | Confident | 106 Ų | 106 | 93.3 Ų | 93.3 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 1.5 | -176.7 | -55.1 | -51.3 | 0 | 0 | 0 | 116.7 | R27 C28 M29 G33 | R27-N31 VanDerWaalsContact CB-OD1 3.31Å; R27-N31 WeakPolarHBondContact CB-OD1 3.4Å; R27-N31 WeakPolarHBondContact CD-OD1 3.28Å; C28-N31 PolarHBondContact O-N 3.01Å; C28-N31 VanDerWaalsContact O-N 3.16Å; M29-N31 VanDerWaalsContact C-N 3.34Å; M29-N31 PolarHBondContact O-N 3.3Å; N31-G33 VanDerWaalsContact C-N 3.28Å; N31-G33 PolarHBondContact O-N 3.35Å |
| 32 | S | 84.6 | Confident | 82.2 | Confident | 44 Ų | 44 | 96.1 Ų | 96.1 | 31% | 0.308 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -24.5 | 174 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | C28 M29 G30 L57 | C28-S32 PolarHBondContact O-N 3.35Å; M29-S32 WeakPolarHBondContact CB-OG 3.49Å; M29-S32 PolarHBondContact O-N 2.02Å; M29-S32 PolarHBondContact O-OG 2.86Å; G30-S32 VanDerWaalsContact C-N 3.29Å; G30-S32 PolarHBondContact O-N 2.84Å; S32-L57 VanDerWaalsContact O-CD2 3.28Å; S32-L57 WeakPolarHBondContact O-CD2 2.97Å; S32-L57 VanDerWaalsContact OG-CD2 3.25Å; S32-L57 WeakPolarHBondContact OG-CD2 3.02Å |
| 33 | G | 88.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 89.5 Ų | 89.5 | 2% | 0.021 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 168.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R27 C28 N31 C56 L57 | R27-G33 WeakPolarHBondContact CA-O 3.01Å; C28-G33 PolarHBondContact N-O 3.22Å; C28-G33 PolarHBondContact O-N 2.92Å; N31-G33 VanDerWaalsContact C-N 3.28Å; N31-G33 PolarHBondContact O-N 3.35Å; G33-C56 WeakPolarHBondContact CA-O 3.03Å; G33-L57 VanDerWaalsContact N-CD2 3.32Å |
| 34 | I | 90.9 | Very high | 85.6 | Confident | 48 Ų | 48 | 84.4 Ų | 84.4 | 25% | 0.246 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.8 | 178.5 | -57.9 | 173.8 | 0 | 0 | 0 | 109.9 | I25 C28 R36 C56 | I25-I34 HydrophobicContact CG2-CB 4.34Å; I25-I34 HydrophobicContact CG2-CD1 3.94Å; I25-I34 HydrophobicContact CG2-CG1 3.85Å; I25-I34 HydrophobicContact CG2-CG2 3.62Å; C28-I34 PolarHBondContact SG-N 2.02Å; I34-R36 HydrophobicContact CG2-CG 3.87Å; I34-R36 PolarHBondContact O-N 3.41Å; I34-C56 PolarHBondContact N-O 3.03Å; I34-C56 PolarHBondContact O-N 3.03Å |
| 35 | C | 90.6 | Very high | 86.8 | Confident | 13 Ų | 13 | 80.9 Ų | 80.9 | 9% | 0.088 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.1 | 171.7 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | L26 C49 Q53 A54 | L26-C35 HydrophobicContact CB-CB 4.02Å; L26-C35 HydrophobicContact CD2-CB 4.15Å; L26-C35 HydrophobicContact CG-CB 4.39Å; L26-C35 WeakPolarHBondContact O-CB 3.41Å; L26-C35 PolarHBondContact O-N 2.05Å; L26-C35 PolarHBondContact O-SG 2.88Å; L26-C35 VanDerWaalsContact O-SG 3.4Å; C35-C49 HydrophobicContact CB-CB 3.74Å; C35-C49 WeakPolarHBondContact CB-SG 3.36Å; C35-C49 WeakPolarHBondContact SG-CB 3.19Å; C35-C49 CovalentContact SG-SG 2.02Å; C35-C49 PolarHBondContact SG-SG 3.48Å; C35-Q53 HydrophobicContact CB-CB 4.46Å; C35-A54 WeakPolarHBondContact CA-O 3.02Å |
| 36 | R | 89.4 | Confident | 87.3 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 31% | 0.309 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.9 | 178 | -57.6 | 179.6 | -179.4 | -110.5 | -4.4 | 109.6 | I34 S38 Q53 A54 | I34-R36 HydrophobicContact CG2-CG 3.87Å; I34-R36 PolarHBondContact O-N 3.41Å; R36-S38 VanDerWaalsContact C-N 3.26Å; R36-S38 WeakPolarHBondContact CB-O 3.4Å; R36-S38 PolarHBondContact O-N 2.79Å; R36-Q53 WeakPolarHBondContact O-CB 3.04Å; R36-A54 PolarHBondContact N-O 3.06Å; R36-A54 PolarHBondContact O-N 3.49Å; R36-A54 VanDerWaalsContact O-O 3.07Å |
| 37 | A | 89 | Confident | 87.3 | Confident | 93 Ų | 93 | 79.4 Ų | 79.4 | 77% | 0.769 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -65.1 | -32.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 38 | S | 88.9 | Confident | 87.3 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 66% | 0.664 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -142.4 | 143.1 | 175 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | R36 | R36-S38 VanDerWaalsContact C-N 3.26Å; R36-S38 WeakPolarHBondContact CB-O 3.4Å; R36-S38 PolarHBondContact O-N 2.79Å |
| 39 | C | 89.7 | Confident | 87.3 | Confident | 28 Ų | 28 | 80.7 Ų | 80.7 | 19% | 0.189 | 44% | 0.436 | C | S | . | . | trans | -80.7 | 153.7 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | E43 C56 | C39-E43 HydrophobicContact CB-CB 3.85Å; C39-C56 WeakPolarHBondContact CA-SG 3.35Å; C39-C56 HydrophobicContact CB-CB 3.74Å; C39-C56 WeakPolarHBondContact CB-SG 3.28Å; C39-C56 WeakPolarHBondContact SG-CA 3.35Å; C39-C56 WeakPolarHBondContact SG-CB 3.45Å; C39-C56 CovalentContact SG-SG 2.05Å; C39-C56 PolarHBondContact SG-SG 3.17Å | ||
| 40 | K | 90.1 | Very high | 87.1 | Confident | 124 Ų | 124 | 88.3 Ų | 88.3 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | trans | -71.4 | 165.7 | 172.5 | -64.2 | 179.4 | -179.1 | 175.8 | 0 | 110.7 | N42 E43 | K40-N42 PolarHBondContact O-N 3.05Å; K40-E43 HydrophobicContact CB-CB 4.42Å; K40-E43 HydrophobicContact CB-CG 4.11Å; K40-E43 PolarHBondContact N-OE2 2.91Å; K40-E43 PolarHBondContact O-N 3.1Å | ||
| 41 | K | 87.8 | Confident | 87.1 | Confident | 208 Ų | 208 | 90.1 Ų | 90.1 | 90% | 0.904 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.4 | -179.4 | -165.5 | 178.2 | -179 | -177.2 | 0 | 114.6 | ||
| 42 | N | 85.2 | Confident | 87.1 | Confident | 115 Ų | 115 | 94.9 Ų | 94.9 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 12.8 | -178.5 | -56.9 | -18.4 | 0 | 0 | 0 | 112.7 | K40 S59 | K40-N42 PolarHBondContact O-N 3.05Å; N42-S59 PolarHBondContact O-N 2.94Å; N42-S59 PolarHBondContact O-OG 2.71Å |
| 43 | E | 90 | Very high | 87.2 | Confident | 40 Ų | 40 | 96 Ų | 96 | 19% | 0.187 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150.4 | 177.1 | -69.3 | 168.8 | 179.1 | 0 | 0 | 109.3 | C39 K40 C56 L57 | C39-E43 HydrophobicContact CB-CB 3.85Å; K40-E43 HydrophobicContact CB-CB 4.42Å; K40-E43 HydrophobicContact CB-CG 4.11Å; K40-E43 PolarHBondContact N-OE2 2.91Å; K40-E43 PolarHBondContact O-N 3.1Å; E43-C56 HydrophobicContact CB-CB 4.16Å; E43-C56 HydrophobicContact CG-CB 4.5Å; E43-C56 WeakPolarHBondContact OE2-CB 3.25Å; E43-L57 CarbonylContact C-O 3.42Å; E43-L57 WeakPolarHBondContact CA-O 3.43Å; E43-L57 WeakPolarHBondContact CB-O 3.12Å |
| 44 | Q | 87.1 | Confident | 87.2 | Confident | 94 Ų | 94 | 96.6 Ų | 96.6 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.2 | 172.9 | -76.1 | -178.6 | -14.2 | 0 | 0 | 110.4 | Y46 L57 | Q44-Y46 HydrophobicContact CB-CD2 4.11Å; Q44-Y46 HydrophobicContact CB-CE2 3.6Å; Q44-Y46 VanDerWaalsContact O-CD2 3.29Å; Q44-Y46 WeakPolarHBondContact O-CD2 3.14Å; Q44-Y46 PolarHBondContact OE1-OH 3.35Å; Q44-L57 PolarHBondContact N-O 3.35Å; Q44-L57 PolarHBondContact O-N 3.13Å |
| 45 | P | 89.1 | Confident | 87.2 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 58% | 0.584 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 128 | 170.4 | 31.9 | -31.7 | 0 | 0 | 0 | 109.6 | A54 | P45-A54 HydrophobicContact CB-CB 3.98Å |
| 46 | Y | 84 | Confident | 87.3 | Confident | 92 Ų | 92 | 93.8 Ų | 93.8 | 36% | 0.361 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | -35.5 | -179.7 | -77.1 | -88.6 | 0 | 0 | 0 | 114.4 | Q44 C55 L57 I63 | Q44-Y46 HydrophobicContact CB-CD2 4.11Å; Q44-Y46 HydrophobicContact CB-CE2 3.6Å; Q44-Y46 VanDerWaalsContact O-CD2 3.29Å; Q44-Y46 WeakPolarHBondContact O-CD2 3.14Å; Q44-Y46 PolarHBondContact OE1-OH 3.35Å; Y46-C55 PolarHBondContact N-O 3.02Å; Y46-L57 HydrophobicContact CD2-CB 3.68Å; Y46-L57 HydrophobicContact CD2-CD1 3.59Å; Y46-L57 HydrophobicContact CD2-CG 4.12Å; Y46-L57 HydrophobicContact CE2-CB 3.74Å; Y46-L57 HydrophobicContact CE2-CD1 4.2Å; Y46-L57 HydrophobicContact CG-CD1 3.98Å; Y46-I63 HydrophobicContact CD1-CD1 3.12Å; Y46-I63 HydrophobicContact CD1-CG1 4.32Å; Y46-I63 HydrophobicContact CD2-CD1 3.67Å; Y46-I63 HydrophobicContact CE1-CD1 3.24Å; Y46-I63 HydrophobicContact CE1-CG1 4.03Å; Y46-I63 HydrophobicContact CE2-CD1 3.78Å; Y46-I63 HydrophobicContact CG-CD1 3.28Å |
| 47 | L | 85.2 | Confident | 87.3 | Confident | 73 Ų | 73 | 90 Ų | 90 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 168.9 | 179.7 | 61.7 | 88.2 | 0 | 0 | 0 | 110.8 | M29 C55 | M29-L47 HydrophobicContact SD-CD2 3.82Å; L47-C55 HydrophobicContact CD1-CB 3.5Å; L47-C55 HydrophobicContact CG-CB 3.7Å; L47-C55 VanDerWaalsContact O-CB 3.28Å; L47-C55 WeakPolarHBondContact O-CB 3.29Å; L47-C55 PolarHBondContact O-N 3.23Å |
| 48 | Y | 87.2 | Confident | 87.1 | Confident | 178 Ų | 178 | 90.2 Ų | 90.2 | 70% | 0.698 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.4 | 176.4 | -66 | -75.7 | 0 | 0 | 0 | 111.8 | Y52 Q53 | Y48-Y52 WeakPolarHBondContact CD1-O 3.04Å; Y48-Q53 CarbonylContact C-O 3.57Å; Y48-Q53 WeakPolarHBondContact CA-O 3.49Å |
| 49 | C | 87.8 | Confident | 86.6 | Confident | 16 Ų | 16 | 88.8 Ų | 88.8 | 11% | 0.108 | 41% | 0.414 | C | S | . | . | trans | -79.8 | 171.5 | 169.8 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | L26 C35 N51 Y52 Q53 | L26-C49 HydrophobicContact CD2-CB 4.43Å; C35-C49 HydrophobicContact CB-CB 3.74Å; C35-C49 WeakPolarHBondContact CB-SG 3.36Å; C35-C49 WeakPolarHBondContact SG-CB 3.19Å; C35-C49 CovalentContact SG-SG 2.02Å; C35-C49 PolarHBondContact SG-SG 3.48Å; C49-N51 PolarHBondContact O-N 2.65Å; C49-Y52 PolarHBondContact O-N 3.18Å; C49-Q53 HydrophobicContact CB-CB 4.43Å; C49-Q53 PolarHBondContact N-O 3.5Å | ||
| 50 | R | 79.6 | Confident | 85.9 | Confident | 236 Ų | 236 | 95.1 Ų | 95.1 | 89% | 0.891 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.2 | -175.6 | -164.5 | 174.8 | -178.6 | -177.3 | 0.3 | 115 | ||
| 51 | N | 81.8 | Confident | 84.8 | Confident | 115 Ų | 115 | 91.8 Ų | 91.8 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 24.4 | 177.6 | -68.1 | -3.3 | 0 | 0 | 0 | 113.2 | C49 Q53 | C49-N51 PolarHBondContact O-N 2.65Å; N51-Q53 HydrophobicContact CB-CG 4.33Å; N51-Q53 PolarHBondContact O-N 3.33Å |
| 52 | Y | 81.6 | Confident | 83.7 | Confident | 206 Ų | 206 | 93.5 Ų | 93.5 | 81% | 0.808 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 57.7 | 14.4 | -174.8 | -57.5 | -84.5 | 0 | 0 | 0 | 114.7 | Y48 C49 | Y48-Y52 WeakPolarHBondContact CD1-O 3.04Å; C49-Y52 PolarHBondContact O-N 3.18Å |
| 53 | Q | 87.3 | Confident | 82.6 | Confident | 68 Ų | 68 | 90.3 Ų | 90.3 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | trans | -74.8 | 145.9 | 172.4 | -70.6 | -178.2 | -9.1 | 0 | 0 | 109.9 | C35 R36 Y48 C49 N51 | C35-Q53 HydrophobicContact CB-CB 4.46Å; R36-Q53 WeakPolarHBondContact O-CB 3.04Å; Y48-Q53 CarbonylContact C-O 3.57Å; Y48-Q53 WeakPolarHBondContact CA-O 3.49Å; C49-Q53 HydrophobicContact CB-CB 4.43Å; C49-Q53 PolarHBondContact N-O 3.5Å; N51-Q53 HydrophobicContact CB-CG 4.33Å; N51-Q53 PolarHBondContact O-N 3.33Å | ||
| 54 | A | 89.5 | Confident | 81.1 | Confident | 14 Ų | 14 | 92.4 Ų | 92.4 | 12% | 0.116 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | C35 R36 P45 C56 | C35-A54 WeakPolarHBondContact CA-O 3.02Å; R36-A54 PolarHBondContact N-O 3.06Å; R36-A54 PolarHBondContact O-N 3.49Å; R36-A54 VanDerWaalsContact O-O 3.07Å; P45-A54 HydrophobicContact CB-CB 3.98Å; A54-C56 PolarHBondContact O-N 2.76Å |
| 55 | C | 90.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 95.9 Ų | 95.9 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 107.1 | 163.5 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | C28 Y46 L47 | C28-C55 HydrophobicContact CB-CB 3.83Å; C28-C55 WeakPolarHBondContact CB-SG 3.31Å; C28-C55 VanDerWaalsContact SG-CA 3.53Å; C28-C55 WeakPolarHBondContact SG-CB 3.45Å; C28-C55 CovalentContact SG-SG 2.02Å; C28-C55 PolarHBondContact SG-SG 2.8Å; Y46-C55 PolarHBondContact N-O 3.02Å; L47-C55 HydrophobicContact CD1-CB 3.5Å; L47-C55 HydrophobicContact CG-CB 3.7Å; L47-C55 VanDerWaalsContact O-CB 3.28Å; L47-C55 WeakPolarHBondContact O-CB 3.29Å; L47-C55 PolarHBondContact O-N 3.23Å |
| 56 | C | 91.6 | Very high | 77.8 | Confident | 3 Ų | 3 | 96 Ų | 96 | 2% | 0.02 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.1 | -177.9 | -58.6 | 0 | 0 | 0 | 0 | 109.8 | G33 I34 C39 E43 A54 | G33-C56 WeakPolarHBondContact CA-O 3.03Å; I34-C56 PolarHBondContact N-O 3.03Å; I34-C56 PolarHBondContact O-N 3.03Å; C39-C56 WeakPolarHBondContact CA-SG 3.35Å; C39-C56 HydrophobicContact CB-CB 3.74Å; C39-C56 WeakPolarHBondContact CB-SG 3.28Å; C39-C56 WeakPolarHBondContact SG-CA 3.35Å; C39-C56 WeakPolarHBondContact SG-CB 3.45Å; C39-C56 CovalentContact SG-SG 2.05Å; C39-C56 PolarHBondContact SG-SG 3.17Å; E43-C56 HydrophobicContact CB-CB 4.16Å; E43-C56 HydrophobicContact CG-CB 4.5Å; E43-C56 WeakPolarHBondContact OE2-CB 3.25Å; A54-C56 PolarHBondContact O-N 2.76Å |
| 57 | L | 89.4 | Confident | 76.1 | Confident | 2 Ų | 2 | 95.9 Ų | 95.9 | 1% | 0.01 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.2 | 178.6 | -70.5 | 161.4 | 0 | 0 | 0 | 109.8 | M29 S32 G33 E43 Q44 Y46 I63 | M29-L57 HydrophobicContact CB-CD1 4.43Å; M29-L57 HydrophobicContact CG-CD1 4.29Å; M29-L57 HydrophobicContact SD-CD1 3.55Å; M29-L57 VanDerWaalsContact SD-CD1 3.55Å; S32-L57 VanDerWaalsContact O-CD2 3.28Å; S32-L57 WeakPolarHBondContact O-CD2 2.97Å; S32-L57 VanDerWaalsContact OG-CD2 3.25Å; S32-L57 WeakPolarHBondContact OG-CD2 3.02Å; G33-L57 VanDerWaalsContact N-CD2 3.32Å; E43-L57 CarbonylContact C-O 3.42Å; E43-L57 WeakPolarHBondContact CA-O 3.43Å; E43-L57 WeakPolarHBondContact CB-O 3.12Å; Q44-L57 PolarHBondContact N-O 3.35Å; Q44-L57 PolarHBondContact O-N 3.13Å; Y46-L57 HydrophobicContact CD2-CB 3.68Å; Y46-L57 HydrophobicContact CD2-CD1 3.59Å; Y46-L57 HydrophobicContact CD2-CG 4.12Å; Y46-L57 HydrophobicContact CE2-CB 3.74Å; Y46-L57 HydrophobicContact CE2-CD1 4.2Å; Y46-L57 HydrophobicContact CG-CD1 3.98Å; L57-I63 HydrophobicContact CD1-CD1 3.41Å; L57-I63 VanDerWaalsContact CD1-CD1 3.41Å; L57-I63 HydrophobicContact CD1-CG1 4.3Å |
| 58 | Q | 85.1 | Confident | 74.2 | Confident | 97 Ų | 97 | 101 Ų | 101 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.9 | 177.7 | -147 | 153.8 | -16.5 | 0 | 0 | 110.5 | Y60 M61 | Q58-Y60 HydrophobicContact CB-CD1 4.34Å; Q58-Y60 HydrophobicContact CB-CE1 4.06Å; Q58-Y60 HydrophobicContact CB-CE2 4.32Å; Q58-Y60 HydrophobicContact CG-CD1 3.75Å; Q58-Y60 HydrophobicContact CG-CE1 3.37Å; Q58-Y60 HydrophobicContact CG-CE2 4.49Å; Q58-Y60 PolarHBondContact NE2-OH 2.98Å; Q58-Y60 PolarHBondContact O-N 3.24Å; Q58-Y60 VanDerWaalsContact O-N 3.14Å; Q58-Y60 PolarHBondContact OE1-OH 3.14Å; Q58-M61 VanDerWaalsContact O-CB 3.22Å; Q58-M61 WeakPolarHBondContact O-CB 3.22Å; Q58-M61 PolarHBondContact O-N 3.18Å |
| 59 | S | 79.2 | Confident | 72.3 | Confident | 66 Ų | 66 | 101.3 Ų | 101.3 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.8 | -172.6 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | N42 M61 | N42-S59 PolarHBondContact O-N 2.94Å; N42-S59 PolarHBondContact O-OG 2.71Å; S59-M61 VanDerWaalsContact C-N 3.31Å |
| 60 | Y | 73.9 | Confident | 70.6 | Confident | 160 Ų | 160 | 106.6 Ų | 106.6 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8.4 | 176.1 | 62.1 | -113.8 | 0 | 0 | 0 | 113.7 | Q58 R62 | Q58-Y60 HydrophobicContact CB-CD1 4.34Å; Q58-Y60 HydrophobicContact CB-CE1 4.06Å; Q58-Y60 HydrophobicContact CB-CE2 4.32Å; Q58-Y60 HydrophobicContact CG-CD1 3.75Å; Q58-Y60 HydrophobicContact CG-CE1 3.37Å; Q58-Y60 HydrophobicContact CG-CE2 4.49Å; Q58-Y60 PolarHBondContact NE2-OH 2.98Å; Q58-Y60 PolarHBondContact O-N 3.24Å; Q58-Y60 VanDerWaalsContact O-N 3.14Å; Q58-Y60 PolarHBondContact OE1-OH 3.14Å; Y60-R62 PolarHBondContact O-N 3.46Å; Y60-R62 VanDerWaalsContact O-N 3.15Å |
| 61 | M | 67.9 | Low | 68.9 | Low | 55 Ų | 55 | 102 Ų | 102 | 27% | 0.271 | 52% | 0.517 | S | S | . | . | trans | -69.9 | 112.6 | -176.6 | -152.8 | 87.5 | 178.4 | 0 | 0 | 108.9 | Q58 S59 I63 | Q58-M61 VanDerWaalsContact O-CB 3.22Å; Q58-M61 WeakPolarHBondContact O-CB 3.22Å; Q58-M61 PolarHBondContact O-N 3.18Å; S59-M61 VanDerWaalsContact C-N 3.31Å; M61-I63 PolarHBondContact O-N 3.26Å | ||
| 62 | R | 64.9 | Low | 67.5 | Low | 244 Ų | 244 | 101.6 Ų | 101.6 | 92% | 0.921 | 52% | 0.519 | S | S | * | . | trans | -80.9 | 97.4 | 175.5 | -73.7 | -174.2 | 171.1 | -179.7 | -1.7 | 109 | Y60 S64 | Y60-R62 PolarHBondContact O-N 3.46Å; Y60-R62 VanDerWaalsContact O-N 3.15Å; R62-S64 PolarHBondContact O-N 2.8Å | ||
| 63 | I | 62.7 | Low | 66 | Low | 47 Ų | 47 | 98.3 Ų | 98.3 | 24% | 0.241 | 52% | 0.515 | C | S | . | . | trans | -75.7 | 108.9 | 175.2 | -58.9 | -177.3 | 0 | 0 | 0 | 108.9 | M29 Y46 L57 M61 I65 | M29-I63 HydrophobicContact CE-CB 4.09Å; M29-I63 HydrophobicContact CE-CD1 3.79Å; M29-I63 HydrophobicContact CE-CG1 3.95Å; M29-I63 HydrophobicContact CE-CG2 3.15Å; M29-I63 HydrophobicContact SD-CD1 3.97Å; Y46-I63 HydrophobicContact CD1-CD1 3.12Å; Y46-I63 HydrophobicContact CD1-CG1 4.32Å; Y46-I63 HydrophobicContact CD2-CD1 3.67Å; Y46-I63 HydrophobicContact CE1-CD1 3.24Å; Y46-I63 HydrophobicContact CE1-CG1 4.03Å; Y46-I63 HydrophobicContact CE2-CD1 3.78Å; Y46-I63 HydrophobicContact CG-CD1 3.28Å; L57-I63 HydrophobicContact CD1-CD1 3.41Å; L57-I63 VanDerWaalsContact CD1-CD1 3.41Å; L57-I63 HydrophobicContact CD1-CG1 4.3Å; M61-I63 PolarHBondContact O-N 3.26Å; I63-I65 PolarHBondContact O-N 3.39Å | ||
| 64 | S | 56.9 | Low | 64.2 | Low | 84 Ų | 84 | 104.9 Ų | 104.9 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | trans | -75.3 | 112.5 | 164.2 | 58.4 | 0 | 0 | 0 | 0 | 108.7 | R62 S66 | R62-S64 PolarHBondContact O-N 2.8Å; S64-S66 PolarHBondContact O-N 3.42Å; S64-S66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | I | 55.3 | Low | 62.4 | Low | 168 Ų | 168 | 107.4 Ų | 107.4 | 86% | 0.862 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -64 | -13.5 | 177 | -61.4 | 170.3 | 0 | 0 | 0 | 111.7 | I63 G67 | I63-I65 PolarHBondContact O-N 3.39Å; I65-G67 PolarHBondContact O-N 3.16Å |
| 66 | S | 51.4 | Low | 60.5 | Low | 93 Ų | 93 | 118 Ų | 118 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -77.5 | 109.1 | 168.5 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | S64 K68 | S64-S66 PolarHBondContact O-N 3.42Å; S64-S66 VanDerWaalsContact O-N 3.1Å; S66-K68 PolarHBondContact O-N 3.15Å |
| 67 | G | 48.3 | Very low | 58.8 | Low | 88 Ų | 88 | 126.2 Ų | 126.2 | 91% | 0.907 | 63% | 0.634 | S | S | * | * | trans | -64.4 | 63.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I65 | I65-G67 PolarHBondContact O-N 3.16Š| ||
| 68 | K | 45.4 | Very low | 57 | Low | 181 Ų | 181 | 134.7 Ų | 134.7 | 79% | 0.787 | 67% | 0.671 | S | S | * | * | trans | -99.5 | 113.6 | 164.8 | -128.1 | 177.4 | -179.5 | 174.1 | 0 | 106.9 | S66 E70 | S66-K68 PolarHBondContact O-N 3.15Å; K68-E70 PolarHBondContact O-N 3.4Å | ||
| 69 | E | 48.7 | Very low | 55.4 | Low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | trans | -36.4 | 123.7 | 164.3 | -169.1 | 161.6 | -169 | 0 | 0 | 109.6 | N71 | E69-N71 PolarHBondContact O-N 2.97Š| ||
| 70 | E | 50.5 | Low | 53.6 | Low | 127 Ų | 127 | 144.4 Ų | 144.4 | 59% | 0.593 | 70% | 0.7 | S | S | * | * | trans | -62.9 | 92.1 | 176.7 | -175.9 | -179 | -176.9 | 0 | 0 | 107.2 | K68 T72 | K68-E70 PolarHBondContact O-N 3.4Å; E70-T72 HydrophobicContact CG-CG2 4.49Å; E70-T72 PolarHBondContact O-N 2.82Å | ||
| 71 | N | 45.5 | Very low | 52.6 | Low | 139 Ų | 139 | 141.2 Ų | 141.2 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | trans | -67.5 | 101.8 | 171.2 | -144.2 | -18.2 | 0 | 0 | 0 | 105.4 | E69 D73 | E69-N71 PolarHBondContact O-N 2.97Å; N71-D73 PolarHBondContact O-N 2.99Å | ||
| 72 | T | 51.4 | Low | 52 | Low | 107 Ų | 107 | 148.4 Ų | 148.4 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | trans | -68.4 | 26.3 | 179.4 | 50.1 | 0 | 0 | 0 | 0 | 113 | E70 W74 | E70-T72 HydrophobicContact CG-CG2 4.49Å; E70-T72 PolarHBondContact O-N 2.82Å; T72-W74 VanDerWaalsContact C-N 3.29Å; T72-W74 PolarHBondContact O-N 2.81Å | ||
| 73 | D | 49.4 | Very low | 51.4 | Low | 138 Ų | 138 | 143.7 Ų | 143.7 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | -87.5 | 77.7 | 172.2 | -138.3 | 12 | 0 | 0 | 0 | 107.1 | N71 S75 | N71-D73 PolarHBondContact O-N 2.99Å; D73-S75 PolarHBondContact O-N 3.17Å | ||
| 74 | W | 50 | Low | 50.9 | Low | 206 Ų | 206 | 151 Ų | 151 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -66.4 | 81.7 | 172.7 | -75.4 | 97.2 | 0 | 0 | 0 | 109.2 | T72 Y76 | T72-W74 VanDerWaalsContact C-N 3.29Å; T72-W74 PolarHBondContact O-N 2.81Å; W74-Y76 PolarHBondContact O-N 3.1Å | ||
| 75 | S | 51.8 | Low | 50.6 | Low | 66 Ų | 66 | 154.4 Ų | 154.4 | 46% | 0.462 | 78% | 0.775 | S | S | . | * | trans | -68.4 | 117.4 | 162.5 | 66.5 | 0 | 0 | 0 | 0 | 107.5 | D73 E77 | D73-S75 PolarHBondContact O-N 3.17Å; S75-E77 PolarHBondContact O-N 2.79Å | ||
| 76 | Y | 51.8 | Low | 50.4 | Low | 222 Ų | 222 | 153.6 Ų | 153.6 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -57.3 | 6.4 | 174.5 | -81.4 | -92.6 | 0 | 0 | 0 | 114.7 | W74 | W74-Y76 PolarHBondContact O-N 3.1Š|
| 77 | E | 54.6 | Low | 50.3 | Low | 176 Ų | 176 | 157 Ų | 157 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -86 | -6 | -169.6 | -119.8 | 179.2 | 163.8 | 0 | 0 | 115.3 | S75 | S75-E77 PolarHBondContact O-N 2.79Š|
| 78 | K | 51.6 | Low | 50.5 | Low | 181 Ų | 181 | 161.1 Ų | 161.1 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -114 | 20.4 | -176 | -59.6 | -167.6 | -170.8 | 178.4 | 0 | 115.1 | W80 | K78-W80 PolarHBondContact O-N 3.13Å; K78-W80 VanDerWaalsContact O-N 3.1Å |
| 79 | Q | 51.4 | Low | 50.8 | Low | 167 Ų | 167 | 159.8 Ų | 159.8 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -74.5 | 101.1 | 174.2 | -164.6 | 107.7 | -12.1 | 0 | 0 | 110.3 | ||||
| 80 | W | 42.2 | Very low | 50.9 | Low | 200 Ų | 200 | 158.2 Ų | 158.2 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | trans | -96.1 | 151.2 | 155.4 | -84.2 | 92.7 | 0 | 0 | 0 | 109.2 | K78 R82 | K78-W80 PolarHBondContact O-N 3.13Å; K78-W80 VanDerWaalsContact O-N 3.1Å; W80-R82 HydrophobicContact CZ3-CB 4.48Å | ||
| 81 | P | 52.6 | Low | 50.9 | Low | 93 Ų | 93 | 160.4 Ų | 160.4 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | cis | -89.5 | 148.5 | 3 | 33.2 | -31.2 | 0 | 0 | 0 | 113.5 | L83 | P81-L83 PolarHBondContact O-N 3.29Å; P81-L83 VanDerWaalsContact O-N 3.13Å | ||
| 82 | R | 56.3 | Low | 51.3 | Low | 205 Ų | 205 | 162.1 Ų | 162.1 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | trans | -72 | 101.2 | 160.3 | -60.7 | -169.6 | -169.2 | -172.3 | 2.7 | 107 | W80 | W80-R82 HydrophobicContact CZ3-CB 4.48Š| ||
| 83 | L | 50.7 | Low | 51.3 | Low | 146 Ų | 146 | 166.7 Ų | 166.7 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -69.2 | 143.2 | 165 | -66.1 | 168 | 0 | 0 | 0 | 107.6 | P81 | P81-L83 PolarHBondContact O-N 3.29Å; P81-L83 VanDerWaalsContact O-N 3.13Å | ||
| 84 | P | 53.7 | Low | 51.5 | Low | 200 Ų | 200 | 169.3 Ų | 169.3 | 100% | 1.299 | 79% | 0.791 | S | S | * | * | trans | -60.1 | 0 | -171.5 | 25.3 | -34.5 | 0 | 0 | 0 | 113.7 |
Retrieved 84 of 84 residues in 203.7 ms
(Link to these results)