| 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 | 53.8 | Low | 55.4 | Low | 232 Ų | 232 | 113.7 Ų | 113.7 | 100% | 1.143 | 64% | 0.64 | S | S | * | * | 0 | 43.7 | 0 | -155.8 | -174.5 | -66.4 | 0 | 0 | 110.5 | |||||
| 2 | M | 48.9 | Very low | 55.7 | Low | 157 Ų | 157 | 112.9 Ų | 112.9 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | trans | -129.6 | -17.2 | -175.4 | -64.2 | 169 | 97.7 | 0 | 0 | 112.2 | S5 | M2-S5 WeakPolarHBondContact O-CB 3.22Å; M2-S5 PolarHBondContact O-N 2.96Å | ||
| 3 | D | 51.8 | Low | 55.9 | Low | 138 Ų | 138 | 108.4 Ų | 108.4 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.9 | -30.9 | -179.6 | -51.1 | -81.7 | 0 | 0 | 0 | 113.5 | S5 A7 | D3-S5 VanDerWaalsContact C-N 3.28Å; D3-S5 PolarHBondContact O-N 3Å; D3-A7 PolarHBondContact O-N 2.85Å |
| 4 | L | 49.2 | Very low | 56.1 | Low | 153 Ų | 153 | 105.6 Ų | 105.6 | 80% | 0.801 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.3 | -26.5 | 178.3 | -150.1 | 72.8 | 0 | 0 | 0 | 112.2 | S8 | L4-S8 PolarHBondContact O-N 2.88Å |
| 5 | S | 56.8 | Low | 56.2 | Low | 85 Ų | 85 | 105.5 Ų | 105.5 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.1 | -43.1 | 179.9 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | M2 D3 S8 A9 | M2-S5 WeakPolarHBondContact O-CB 3.22Å; M2-S5 PolarHBondContact O-N 2.96Å; D3-S5 VanDerWaalsContact C-N 3.28Å; D3-S5 PolarHBondContact O-N 3Å; S5-S8 PolarHBondContact O-N 2.95Å; S5-A9 PolarHBondContact O-N 2.96Å; S5-A9 VanDerWaalsContact O-N 3.12Å |
| 6 | M | 56.8 | Low | 56.1 | Low | 127 Ų | 127 | 107.1 Ų | 107.1 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.3 | -38.9 | 176.7 | -74.1 | -58 | -50.9 | 0 | 0 | 112.2 | V10 | M6-V10 WeakPolarHBondContact O-CG2 3.46Å; M6-V10 PolarHBondContact O-N 3.27Å; M6-V10 VanDerWaalsContact O-N 3.14Å |
| 7 | A | 56.3 | Low | 56.1 | Low | 48 Ų | 48 | 106.4 Ų | 106.4 | 40% | 0.397 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.7 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D3 V10 I11 | D3-A7 PolarHBondContact O-N 2.85Å; A7-V10 PolarHBondContact O-N 3.35Å; A7-I11 WeakPolarHBondContact O-CD1 3.29Å; A7-I11 WeakPolarHBondContact O-CG1 3.43Å; A7-I11 PolarHBondContact O-N 3.16Å; A7-I11 VanDerWaalsContact O-N 3.07Å |
| 8 | S | 58.1 | Low | 56 | Low | 66 Ų | 66 | 108.4 Ų | 108.4 | 46% | 0.462 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64 | -44.6 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | L4 S5 V10 I11 L12 | L4-S8 PolarHBondContact O-N 2.88Å; S5-S8 PolarHBondContact O-N 2.95Å; S8-V10 VanDerWaalsContact C-N 3.35Å; S8-V10 PolarHBondContact O-N 2.78Å; S8-I11 PolarHBondContact O-N 3.04Å; S8-L12 PolarHBondContact O-N 3.45Å; S8-L12 VanDerWaalsContact O-N 3.08Å |
| 9 | A | 59.1 | Low | 55.8 | Low | 55 Ų | 55 | 110.9 Ų | 110.9 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.2 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S5 L12 A13 | S5-A9 PolarHBondContact O-N 2.96Å; S5-A9 VanDerWaalsContact O-N 3.12Å; A9-L12 PolarHBondContact O-N 3.47Å; A9-A13 WeakPolarHBondContact O-CB 3.21Å; A9-A13 PolarHBondContact O-N 2.84Å |
| 10 | V | 59.7 | Low | 55.7 | Low | 85 Ų | 85 | 113.1 Ų | 113.1 | 52% | 0.515 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69 | -38.1 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | M6 A7 S8 A13 S14 | M6-V10 WeakPolarHBondContact O-CG2 3.46Å; M6-V10 PolarHBondContact O-N 3.27Å; M6-V10 VanDerWaalsContact O-N 3.14Å; A7-V10 PolarHBondContact O-N 3.35Å; S8-V10 VanDerWaalsContact C-N 3.35Å; S8-V10 PolarHBondContact O-N 2.78Å; V10-A13 PolarHBondContact O-N 3.39Å; V10-S14 WeakPolarHBondContact O-CB 3.29Å; V10-S14 PolarHBondContact O-N 2.93Å; V10-S14 PolarHBondContact O-OG 3.46Å |
| 11 | I | 59.1 | Low | 55.7 | Low | 105 Ų | 105 | 111 Ų | 111 | 54% | 0.538 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.2 | -43.4 | 176.3 | -67 | 162.4 | 0 | 0 | 0 | 110.7 | A7 S8 S14 L15 | A7-I11 WeakPolarHBondContact O-CD1 3.29Å; A7-I11 WeakPolarHBondContact O-CG1 3.43Å; A7-I11 PolarHBondContact O-N 3.16Å; A7-I11 VanDerWaalsContact O-N 3.07Å; S8-I11 PolarHBondContact O-N 3.04Å; I11-S14 PolarHBondContact O-N 3.38Å; I11-L15 HydrophobicContact CG2-CD1 4.13Å; I11-L15 WeakPolarHBondContact O-CG 3.1Å; I11-L15 PolarHBondContact O-N 2.96Å; I11-L15 VanDerWaalsContact O-N 3.11Å |
| 12 | L | 58.9 | Low | 55.7 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.9 | -42 | 176.3 | -81.5 | 158.5 | 0 | 0 | 0 | 112.7 | S8 A9 S14 L15 L16 | S8-L12 PolarHBondContact O-N 3.45Å; S8-L12 VanDerWaalsContact O-N 3.08Å; A9-L12 PolarHBondContact O-N 3.47Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.17Å; L12-L16 WeakPolarHBondContact O-CD1 3.46Å; L12-L16 PolarHBondContact O-N 3.03Å |
| 13 | A | 58.9 | Low | 56.2 | Low | 54 Ų | 54 | 101.7 Ų | 101.7 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.1 | -34 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A9 V10 S17 | A9-A13 WeakPolarHBondContact O-CB 3.21Å; A9-A13 PolarHBondContact O-N 2.84Å; V10-A13 PolarHBondContact O-N 3.39Å; A13-S17 PolarHBondContact O-N 3.44Å; A13-S17 PolarHBondContact O-OG 3.17Å |
| 14 | S | 57.9 | Low | 56.4 | Low | 69 Ų | 69 | 101.6 Ų | 101.6 | 48% | 0.483 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.3 | -37.9 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 112.5 | V10 I11 L12 S17 | V10-S14 WeakPolarHBondContact O-CB 3.29Å; V10-S14 PolarHBondContact O-N 2.93Å; V10-S14 PolarHBondContact O-OG 3.46Å; I11-S14 PolarHBondContact O-N 3.38Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.43Å; S14-S17 PolarHBondContact O-N 3.2Å |
| 15 | L | 57.7 | Low | 56.6 | Low | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.5 | -34.2 | 176.5 | -72.5 | 163 | 0 | 0 | 0 | 113 | I11 L12 S17 L18 H19 | I11-L15 HydrophobicContact CG2-CD1 4.13Å; I11-L15 WeakPolarHBondContact O-CG 3.1Å; I11-L15 PolarHBondContact O-N 2.96Å; I11-L15 VanDerWaalsContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 3.17Å; L15-S17 VanDerWaalsContact C-N 3.33Å; L15-L18 PolarHBondContact O-N 3.32Å; L15-H19 PolarHBondContact O-ND1 3.01Å |
| 16 | L | 54.4 | Low | 56.5 | Low | 132 Ų | 132 | 104.1 Ų | 104.1 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68 | -32.2 | 176.4 | -80.6 | 158.3 | 0 | 0 | 0 | 112.5 | L12 L18 H19 | L12-L16 WeakPolarHBondContact O-CD1 3.46Å; L12-L16 PolarHBondContact O-N 3.03Å; L16-L18 PolarHBondContact O-N 3.01Å; L16-H19 PolarHBondContact O-N 3.42Å |
| 17 | S | 56.3 | Low | 56.4 | Low | 94 Ų | 94 | 103.6 Ų | 103.6 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.9 | -20.2 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | A13 S14 L15 H19 | A13-S17 PolarHBondContact O-N 3.44Å; A13-S17 PolarHBondContact O-OG 3.17Å; S14-S17 PolarHBondContact O-N 3.2Å; L15-S17 VanDerWaalsContact C-N 3.33Å; S17-H19 VanDerWaalsContact C-N 3.34Å |
| 18 | L | 54.2 | Low | 56.5 | Low | 144 Ų | 144 | 108.2 Ų | 108.2 | 75% | 0.754 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -11.9 | 179.6 | -120.8 | 74.1 | 0 | 0 | 0 | 114.1 | L15 L16 | L15-L18 PolarHBondContact O-N 3.32Å; L16-L18 PolarHBondContact O-N 3.01Å |
| 19 | H | 53.5 | Low | 56.6 | Low | 155 Ų | 155 | 111.5 Ų | 111.5 | 72% | 0.718 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -4 | -172.4 | -76.9 | 86.8 | 0 | 0 | 0 | 115.3 | L15 L16 S17 G21 | L15-H19 PolarHBondContact O-ND1 3.01Å; L16-H19 PolarHBondContact O-N 3.42Å; S17-H19 VanDerWaalsContact C-N 3.34Å; H19-G21 VanDerWaalsContact C-N 3.35Å |
| 20 | L | 51.9 | Low | 56.9 | Low | 154 Ų | 154 | 112.4 Ų | 112.4 | 81% | 0.806 | 66% | 0.662 | S | S | * | * | trans | -92.8 | 7.4 | 179.4 | -156.6 | 56.6 | 0 | 0 | 0 | 114.3 | T22 | L20-T22 PolarHBondContact O-N 3.37Å; L20-T22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | G | 57.2 | Low | 57.7 | Low | 69 Ų | 69 | 114.9 Ų | 114.9 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | trans | -81.4 | 55.5 | 167 | 0 | 0 | 0 | 0 | 0 | 112 | H19 A23 | H19-G21 VanDerWaalsContact C-N 3.35Å; G21-A23 PolarHBondContact O-N 3.39Å | ||
| 22 | T | 53.7 | Low | 59.1 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | trans | -70.3 | 81.7 | 160.1 | 49.2 | 0 | 0 | 0 | 0 | 107.1 | L20 T24 | L20-T22 PolarHBondContact O-N 3.37Å; L20-T22 VanDerWaalsContact O-N 3.08Å; T22-T24 VanDerWaalsContact C-N 3.31Å; T22-T24 PolarHBondContact O-N 3.49Å | ||
| 23 | A | 59.3 | Low | 60.8 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -54.3 | 105.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | G21 R25 | G21-A23 PolarHBondContact O-N 3.39Å; A23-R25 PolarHBondContact O-N 3.39Å | ||
| 24 | T | 55.3 | Low | 62.5 | Low | 135 Ų | 135 | 108 Ų | 108 | 83% | 0.828 | 63% | 0.629 | S | S | * | * | trans | -62 | 86.6 | 160.1 | 46 | 0 | 0 | 0 | 0 | 105.1 | T22 G26 | T22-T24 VanDerWaalsContact C-N 3.31Å; T22-T24 PolarHBondContact O-N 3.49Å; T24-G26 PolarHBondContact O-N 3.05Å | ||
| 25 | R | 53.6 | Low | 64.2 | Low | 228 Ų | 228 | 112.5 Ų | 112.5 | 86% | 0.86 | 64% | 0.64 | S | S | * | * | trans | -69 | 66.1 | 158.8 | -72.1 | -169.5 | 173 | -170.5 | -0.5 | 106.3 | A23 T27 | A23-R25 PolarHBondContact O-N 3.39Å; R25-T27 PolarHBondContact O-N 3.49Å | ||
| 26 | G | 54.7 | Low | 65.8 | Low | 63 Ų | 63 | 115.4 Ų | 115.4 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | trans | -57.1 | 103.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 103.8 | T24 D28 | T24-G26 PolarHBondContact O-N 3.05Å; G26-D28 PolarHBondContact O-N 3.31Å | ||
| 27 | T | 55.1 | Low | 67.8 | Low | 116 Ų | 116 | 111.5 Ų | 111.5 | 71% | 0.712 | 63% | 0.629 | S | S | * | * | trans | -61 | 94.3 | 157.4 | 43.6 | 0 | 0 | 0 | 0 | 103.3 | R25 I29 | R25-T27 PolarHBondContact O-N 3.49Å; T27-I29 PolarHBondContact O-N 3.05Å | ||
| 28 | D | 57.5 | Low | 69.6 | Low | 145 Ų | 145 | 109.1 Ų | 109.1 | 78% | 0.775 | 61% | 0.612 | S | S | * | * | trans | -67.6 | 77.8 | 167.9 | -165.4 | -7.4 | 0 | 0 | 0 | 104.7 | G26 A30 | G26-D28 PolarHBondContact O-N 3.31Å; D28-A30 PolarHBondContact O-N 3.12Å | ||
| 29 | I | 60.1 | Low | 71.3 | Confident | 135 Ų | 135 | 111.3 Ų | 111.3 | 69% | 0.692 | 62% | 0.619 | S | S | * | * | trans | -64.1 | 93.6 | 168.9 | -61.2 | 175.6 | 0 | 0 | 0 | 102.4 | T27 K31 | T27-I29 PolarHBondContact O-N 3.05Å; I29-K31 PolarHBondContact O-N 3.17Å | ||
| 30 | A | 66.9 | Low | 73.2 | Confident | 75 Ų | 75 | 112 Ų | 112 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | trans | -46 | 107.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108 | D28 T32 | D28-A30 PolarHBondContact O-N 3.12Å; A30-T32 PolarHBondContact O-N 3.21Å | ||
| 31 | K | 76.3 | Confident | 75.2 | Confident | 137 Ų | 137 | 108.3 Ų | 108.3 | 60% | 0.596 | 61% | 0.607 | S | S | * | * | trans | -66.5 | 111.3 | -175 | -68.6 | -176.6 | -178.3 | 173.4 | 0 | 107.1 | I29 C33 S56 | I29-K31 PolarHBondContact O-N 3.17Å; K31-C33 PolarHBondContact O-N 2.82Å; K31-C33 VanDerWaalsContact O-N 3.16Å; K31-S56 VanDerWaalsContact CD-OG 3.3Å; K31-S56 WeakPolarHBondContact CD-OG 3.38Å; K31-S56 PolarHBondContact NZ-OG 3.35Å | ||
| 32 | T | 88.3 | Confident | 77 | Confident | 69 Ų | 69 | 106.2 Ų | 106.2 | 42% | 0.423 | 58% | 0.579 | S | S | . | * | trans | -75.6 | 109 | -178.6 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | A30 I63 | A30-T32 PolarHBondContact O-N 3.21Å; T32-I63 HydrophobicContact CG2-CD1 3.75Å | ||
| 33 | C | 94.3 | Very high | 79.1 | Confident | 43 Ų | 43 | 103.1 Ų | 103.1 | 29% | 0.291 | 56% | 0.561 | S | S | . | * | trans | -100.1 | 150.6 | 170.1 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | K31 F35 C57 | K31-C33 PolarHBondContact O-N 2.82Å; K31-C33 VanDerWaalsContact O-N 3.16Å; C33-F35 HydrophobicContact CB-CE2 4.47Å; C33-F35 HydrophobicContact CB-CZ 4.32Å; C33-C57 WeakPolarHBondContact CA-SG 3.28Å; C33-C57 HydrophobicContact CB-CB 3.84Å; C33-C57 WeakPolarHBondContact CB-SG 3.38Å; C33-C57 VanDerWaalsContact SG-CA 3.55Å; C33-C57 WeakPolarHBondContact SG-CB 3.28Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 2.98Å | ||
| 34 | C | 95.5 | Very high | 80.8 | Confident | 5 Ų | 5 | 104.1 Ų | 104.1 | 3% | 0.034 | 55% | 0.548 | C | S | . | . | trans | -108.1 | 117.7 | 177.4 | -68.5 | 0 | 0 | 0 | 0 | 109.8 | T53 A61 I63 C73 | C34-T53 HydrophobicContact CB-CG2 4.27Å; C34-A61 HydrophobicContact CB-CB 3.58Å; C34-I63 VanDerWaalsContact SG-CG1 3.59Å; C34-C73 HydrophobicContact CB-CB 3.58Å; C34-C73 WeakPolarHBondContact CB-SG 2.98Å; C34-C73 WeakPolarHBondContact SG-CB 3.03Å; C34-C73 CovalentContact SG-SG 2.04Å; C34-C73 PolarHBondContact SG-SG 3.16Å | ||
| 35 | F | 92.2 | Very high | 82.8 | Confident | 164 Ų | 164 | 102.5 Ų | 102.5 | 72% | 0.719 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -94.8 | -18.5 | 174.5 | -57.8 | -76.9 | 0 | 0 | 0 | 112.6 | C33 | C33-F35 HydrophobicContact CB-CE2 4.47Å; C33-F35 HydrophobicContact CB-CZ 4.32Å |
| 36 | Q | 92.5 | Very high | 84.9 | Confident | 165 Ų | 165 | 99.1 Ų | 99.1 | 77% | 0.771 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -137 | 151.7 | 179.6 | -67.1 | -177.2 | -15.1 | 0 | 0 | 110.2 | C73 | Q36-C73 WeakPolarHBondContact O-CB 3.14Š|
| 37 | H | 95.6 | Very high | 86.9 | Confident | 50 Ų | 50 | 96.5 Ų | 96.5 | 23% | 0.231 | 50% | 0.497 | C | S | . | . | trans | -116.2 | 143.8 | 180 | -59.7 | 121.1 | 0 | 0 | 0 | 110.5 | H39 T74 N75 | H37-H39 PolarHBondContact O-N 3.49Å; H37-T74 PolarHBondContact CD2-O 3.02Å; H37-N75 HydrophobicContact CB-CB 4.23Å | ||
| 38 | S | 93.4 | Very high | 88.9 | Confident | 44 Ų | 44 | 96.5 Ų | 96.5 | 31% | 0.308 | 49% | 0.489 | S | S | . | . | trans | -60.8 | 125.7 | 170.1 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | K40 C73 | S38-K40 PolarHBondContact OG-N 2.83Å; S38-K40 PolarHBondContact OG-O 3.28Å; S38-C73 PolarHBondContact N-O 2.05Å | ||
| 39 | H | 90.4 | Very high | 90.8 | Very high | 191 Ų | 191 | 91.4 Ų | 91.4 | 88% | 0.884 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -73.9 | -30.8 | 172.7 | -66.4 | -88.1 | 0 | 0 | 0 | 112.1 | H37 | H37-H39 PolarHBondContact O-N 3.49Š|
| 40 | K | 93.2 | Very high | 92.6 | Very high | 170 Ų | 170 | 86.8 Ų | 86.8 | 74% | 0.739 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -91.7 | 142.7 | -179.3 | -62.5 | -172.6 | -178.8 | -177.3 | 0 | 110.6 | S38 | S38-K40 PolarHBondContact OG-N 2.83Å; S38-K40 PolarHBondContact OG-O 3.28Å |
| 41 | S | 94 | Very high | 94 | Very high | 76 Ų | 76 | 86.8 Ų | 86.8 | 53% | 0.531 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 147 | 170 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 42 | L | 95.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 85.4 Ų | 85.4 | 13% | 0.131 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 139.7 | 170.9 | -65.5 | 170.9 | 0 | 0 | 0 | 108.9 | W44 V47 F64 V72 W80 Y84 | L42-W44 PolarHBondContact O-N 2.87Å; L42-V47 HydrophobicContact CB-CG2 3.96Å; L42-V47 HydrophobicContact CD1-CG2 4.27Å; L42-F64 HydrophobicContact CD1-CB 3.77Å; L42-F64 HydrophobicContact CD1-CD2 4.2Å; L42-F64 HydrophobicContact CD1-CG 4.3Å; L42-V72 HydrophobicContact CD1-CB 3.97Å; L42-V72 HydrophobicContact CD1-CG1 4.11Å; L42-V72 HydrophobicContact CD1-CG2 4.18Å; L42-V72 HydrophobicContact CD2-CG1 4.33Å; L42-V72 HydrophobicContact CD2-CG2 4.14Å; L42-V72 HydrophobicContact CG-CG1 4.46Å; L42-W80 HydrophobicContact CB-CZ3 4.44Å; L42-W80 HydrophobicContact CG-CH2 4.37Å; L42-Y84 WeakPolarHBondContact O-CE2 3.36Å; L42-Y84 PolarHBondContact O-OH 3.47Å |
| 43 | P | 96.8 | Very high | 95.2 | Very high | 53 Ų | 53 | 82.4 Ų | 82.4 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 128.9 | 167.3 | -23.3 | 34.6 | 0 | 0 | 0 | 110.4 | T45 R46 | P43-T45 PolarHBondContact O-N 2.92Å; P43-T45 VanDerWaalsContact O-N 3.16Å; P43-R46 HydrophobicContact CB-CG 4.3Å; P43-R46 WeakPolarHBondContact O-CB 3.46Å; P43-R46 PolarHBondContact O-N 3.19Å |
| 44 | W | 96.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 82.2 Ų | 82.2 | 37% | 0.367 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -51.6 | -42.6 | -176.7 | 173.8 | -118.7 | 0 | 0 | 0 | 112.3 | L42 R46 V47 Y84 L87 L88 | L42-W44 PolarHBondContact O-N 2.87Å; W44-R46 PolarHBondContact O-N 2.9Å; W44-V47 HydrophobicContact CE3-CB 4.4Å; W44-V47 PolarHBondContact O-N 2.84Å; W44-Y84 WeakPolarHBondContact CA-OH 3.38Å; W44-Y84 HydrophobicContact CB-CE1 4.12Å; W44-Y84 HydrophobicContact CB-CE2 4.39Å; W44-Y84 VanDerWaalsContact CB-OH 3.29Å; W44-Y84 WeakPolarHBondContact CB-OH 3.49Å; W44-Y84 HydrophobicContact CD2-CE1 4.27Å; W44-Y84 AromaticContact CE3-CD1 3.56Å; W44-Y84 HydrophobicContact CE3-CD1 3.56Å; W44-Y84 AromaticContact CE3-CD2 3.71Å; W44-Y84 HydrophobicContact CE3-CD2 3.71Å; W44-Y84 AromaticContact CE3-CE1 3.63Å; W44-Y84 HydrophobicContact CE3-CE1 3.63Å; W44-Y84 AromaticContact CE3-CE2 3.78Å; W44-Y84 HydrophobicContact CE3-CE2 3.78Å; W44-Y84 AromaticContact CE3-CG 3.61Å; W44-Y84 HydrophobicContact CE3-CG 3.61Å; W44-Y84 AromaticContact CE3-CZ 3.75Å; W44-Y84 HydrophobicContact CG-CE1 4.5Å; W44-Y84 AromaticContact CZ3-CD1 3.93Å; W44-Y84 HydrophobicContact CZ3-CD1 3.93Å; W44-Y84 HydrophobicContact CZ3-CD2 4.07Å; W44-Y84 HydrophobicContact CZ3-CE1 4.45Å; W44-Y84 AromaticContact CZ3-CG 3.72Å; W44-Y84 HydrophobicContact CZ3-CG 3.72Å; W44-Y84 PolarHBondContact N-OH 2.8Å; W44-L87 HydrophobicContact CD2-CD1 4.29Å; W44-L87 HydrophobicContact CE3-CD1 4.27Å; W44-L87 HydrophobicContact CH2-CB 3.35Å; W44-L87 HydrophobicContact CH2-CD1 3.88Å; W44-L87 HydrophobicContact CH2-CG 4.26Å; W44-L87 HydrophobicContact CZ2-CB 3.78Å; W44-L87 HydrophobicContact CZ2-CD1 3.89Å; W44-L87 HydrophobicContact CZ2-CG 4.42Å; W44-L87 HydrophobicContact CZ3-CB 4.04Å; W44-L87 HydrophobicContact CZ3-CD1 4.07Å; W44-L88 HydrophobicContact CH2-CD2 3.88Å; W44-L88 HydrophobicContact CH2-CG 3.82Å; W44-L88 HydrophobicContact CZ3-CD1 4.47Å; W44-L88 HydrophobicContact CZ3-CD2 4.32Å; W44-L88 HydrophobicContact CZ3-CG 4.03Å |
| 45 | T | 96.8 | Very high | 94.9 | Very high | 102 Ų | 102 | 87.4 Ų | 87.4 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -58.3 | -20.2 | -179.2 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | P43 K67 | P43-T45 PolarHBondContact O-N 2.92Å; P43-T45 VanDerWaalsContact O-N 3.16Å; T45-K67 WeakPolarHBondContact O-CD 3.43Å; T45-K67 WeakPolarHBondContact O-CE 3.39Å; T45-K67 PolarHBondContact O-NZ 2.91Å |
| 46 | R | 97.1 | Very high | 94.8 | Very high | 156 Ų | 156 | 83 Ų | 83 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -94.4 | -15.7 | 178.6 | -61.8 | -177.5 | -175.2 | 157.3 | 2.5 | 113.4 | P43 W44 T66 K67 | P43-R46 HydrophobicContact CB-CG 4.3Å; P43-R46 WeakPolarHBondContact O-CB 3.46Å; P43-R46 PolarHBondContact O-N 3.19Å; W44-R46 PolarHBondContact O-N 2.9Å; R46-T66 CarbonylContact O-C 3.42Å; R46-T66 WeakPolarHBondContact O-CA 3.47Å; R46-T66 VanDerWaalsContact O-CB 3.29Å; R46-T66 WeakPolarHBondContact O-CB 3.35Å; R46-K67 PolarHBondContact O-N 2.92Å |
| 47 | V | 97.5 | Very high | 94.8 | Very high | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.055 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 135.6 | -178.2 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | L42 W44 F64 Y84 L88 | L42-V47 HydrophobicContact CB-CG2 3.96Å; L42-V47 HydrophobicContact CD1-CG2 4.27Å; W44-V47 HydrophobicContact CE3-CB 4.4Å; W44-V47 PolarHBondContact O-N 2.84Å; V47-F64 HydrophobicContact CG1-CB 4.44Å; V47-F64 HydrophobicContact CG1-CD1 3.73Å; V47-F64 HydrophobicContact CG1-CE1 4.37Å; V47-F64 HydrophobicContact CG1-CG 4.3Å; V47-Y84 HydrophobicContact CB-CD2 4.45Å; V47-Y84 HydrophobicContact CG1-CD2 4.46Å; V47-Y84 HydrophobicContact CG2-CD2 3.8Å; V47-Y84 HydrophobicContact CG2-CE2 3.64Å; V47-L88 HydrophobicContact CG1-CD1 3.81Å |
| 48 | Q | 97.3 | Very high | 94.6 | Very high | 115 Ų | 115 | 78.7 Ų | 78.7 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -46.4 | 180 | -175.6 | 178.9 | 30.6 | 0 | 0 | 111.4 | T65 T66 K67 | Q48-T65 WeakPolarHBondContact CB-O 3.49Å; Q48-T65 PolarHBondContact N-O 3.48Å; Q48-T66 PolarHBondContact OE1-O 2.04Å; Q48-K67 HydrophobicContact CB-CG 3.97Å |
| 49 | S | 97.5 | Very high | 94.5 | Very high | 38 Ų | 38 | 81.3 Ų | 81.3 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 172.3 | -178.6 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | F64 T65 | S49-F64 WeakPolarHBondContact O-CA 3.34Å; S49-T65 PolarHBondContact N-O 3.29Å; S49-T65 PolarHBondContact O-N 3.41Å; S49-T65 WeakPolarHBondContact OG-CB 3.38Å |
| 50 | Y | 97.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 76.3 Ų | 76.3 | 15% | 0.153 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153 | 173.5 | 78.9 | -83.3 | 0 | 0 | 0 | 110.6 | F52 V62 I63 F64 I85 L88 | Y50-F52 HydrophobicContact CD2-CE2 4.42Å; Y50-F52 HydrophobicContact CE2-CD2 4.15Å; Y50-F52 AromaticContact CE2-CE2 3.74Å; Y50-F52 HydrophobicContact CE2-CE2 3.74Å; Y50-F52 HydrophobicContact CE2-CZ 4.44Å; Y50-V62 HydrophobicContact CD2-CG1 4.34Å; Y50-I63 CarbonylContact C-O 3.55Å; Y50-I63 VanDerWaalsContact CA-O 3.25Å; Y50-I63 WeakPolarHBondContact CA-O 3.28Å; Y50-F64 HydrophobicContact CG-CE1 4.45Å; Y50-I85 HydrophobicContact CD2-CG1 4.09Å; Y50-I85 HydrophobicContact CE1-CG2 4.33Å; Y50-I85 HydrophobicContact CE2-CG1 4.26Å; Y50-I85 HydrophobicContact CE2-CG2 3.92Å; Y50-I85 HydrophobicContact CG-CG1 4.38Å; Y50-L88 HydrophobicContact CD1-CB 3.64Å; Y50-L88 HydrophobicContact CD1-CD1 3.61Å; Y50-L88 HydrophobicContact CD1-CG 4.27Å; Y50-L88 HydrophobicContact CE1-CB 3.78Å; Y50-L88 HydrophobicContact CG-CD1 4.28Å |
| 51 | E | 96.2 | Very high | 94.8 | Very high | 74 Ų | 74 | 68.2 Ų | 68.2 | 35% | 0.346 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 148 | 170.7 | 61.7 | -167.5 | -176.5 | 0 | 0 | 109.3 | I63 K71 | E51-I63 HydrophobicContact CG-CB 3.7Å; E51-I63 HydrophobicContact CG-CD1 4.27Å; E51-I63 HydrophobicContact CG-CG1 4.47Å; E51-I63 HydrophobicContact CG-CG2 4.2Å; E51-I63 PolarHBondContact N-O 3.24Å; E51-I63 PolarHBondContact O-N 2.83Å; E51-K71 IonicContact OE1-NZ 2.8Å; E51-K71 PolarHBondContact OE1-NZ 3.4Å; E51-K71 IonicContact OE2-NZ 3.98Å |
| 52 | F | 95.8 | Very high | 95 | Very high | 108 Ų | 108 | 64.6 Ų | 64.6 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 145.7 | 169.5 | -75.3 | -77.9 | 0 | 0 | 0 | 109.1 | Y50 V62 I85 | Y50-F52 HydrophobicContact CD2-CE2 4.42Å; Y50-F52 HydrophobicContact CE2-CD2 4.15Å; Y50-F52 AromaticContact CE2-CE2 3.74Å; Y50-F52 HydrophobicContact CE2-CE2 3.74Å; Y50-F52 HydrophobicContact CE2-CZ 4.44Å; F52-V62 HydrophobicContact CD1-CG2 3.7Å; F52-V62 HydrophobicContact CE1-CG2 3.43Å; F52-V62 VanDerWaalsContact CE1-CG2 3.43Å; F52-V62 HydrophobicContact CZ-CG2 4.27Å; F52-I85 HydrophobicContact CE1-CD1 4.33Å; F52-I85 HydrophobicContact CZ-CD1 4Å |
| 53 | T | 95 | Very high | 95.1 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -61 | 157.5 | 170 | 52.5 | 0 | 0 | 0 | 0 | 111 | C34 Q60 A61 I63 | C34-T53 HydrophobicContact CB-CG2 4.27Å; T53-Q60 PolarHBondContact O-NE2 3.12Å; T53-Q60 PolarHBondContact OG1-NE2 3.09Å; T53-A61 HydrophobicContact CG2-CB 3.79Å; T53-A61 PolarHBondContact N-O 3.39Å; T53-A61 PolarHBondContact OG1-N 2.88Å; T53-A61 PolarHBondContact OG1-O 2.99Å; T53-I63 HydrophobicContact CG2-CD1 4.02Å; T53-I63 HydrophobicContact CG2-CG1 4.2Å |
| 54 | S | 92.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 61 Ų | 61 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 146.3 | 174 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | S56 C57 | S54-S56 PolarHBondContact O-N 3.04Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact OG-N 3.47Å; S54-S56 PolarHBondContact OG-OG 2.8Å; S54-C57 WeakPolarHBondContact O-CB 3.49Å; S54-C57 PolarHBondContact O-N 3.42Å; S54-C57 PolarHBondContact O-SG 3.44Å |
| 55 | S | 90.4 | Very high | 95.2 | Very high | 115 Ų | 115 | 57.3 Ų | 57.3 | 80% | 0.804 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.7 | 171.6 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | C57 | S55-C57 VanDerWaalsContact C-N 3.28Š|
| 56 | S | 91 | Very high | 95.2 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.9 | 174.2 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | K31 S54 | K31-S56 VanDerWaalsContact CD-OG 3.3Å; K31-S56 WeakPolarHBondContact CD-OG 3.38Å; K31-S56 PolarHBondContact NZ-OG 3.35Å; S54-S56 PolarHBondContact O-N 3.04Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact OG-N 3.47Å; S54-S56 PolarHBondContact OG-OG 2.8Å |
| 57 | C | 92.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 8% | 0.081 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -74.5 | 139.4 | 173.5 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | C33 S54 S55 Q59 | C33-C57 WeakPolarHBondContact CA-SG 3.28Å; C33-C57 HydrophobicContact CB-CB 3.84Å; C33-C57 WeakPolarHBondContact CB-SG 3.38Å; C33-C57 VanDerWaalsContact SG-CA 3.55Å; C33-C57 WeakPolarHBondContact SG-CB 3.28Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 2.98Å; S54-C57 WeakPolarHBondContact O-CB 3.49Å; S54-C57 PolarHBondContact O-N 3.42Å; S54-C57 PolarHBondContact O-SG 3.44Å; S55-C57 VanDerWaalsContact C-N 3.28Å; C57-Q59 PolarHBondContact O-N 3.47Å; C57-Q59 VanDerWaalsContact O-N 3.17Å |
| 58 | S | 90.7 | Very high | 95.2 | Very high | 112 Ų | 112 | 63.5 Ų | 63.5 | 78% | 0.783 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -61.9 | -24 | 177.3 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 59 | Q | 90.6 | Very high | 95.2 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -128.2 | 126.3 | 177 | -64.3 | -175.3 | -8 | 0 | 0 | 110.5 | C57 | C57-Q59 PolarHBondContact O-N 3.47Å; C57-Q59 VanDerWaalsContact O-N 3.17Å |
| 60 | Q | 93.9 | Very high | 95.1 | Very high | 86 Ų | 86 | 65.4 Ų | 65.4 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | trans | -77.3 | 124.9 | 174.4 | -163.4 | 63.7 | 26.6 | 0 | 0 | 110.4 | T53 | T53-Q60 PolarHBondContact O-NE2 3.12Å; T53-Q60 PolarHBondContact OG1-NE2 3.09Å | ||
| 61 | A | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -133.3 | 166.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C34 T53 | C34-A61 HydrophobicContact CB-CB 3.58Å; T53-A61 HydrophobicContact CG2-CB 3.79Å; T53-A61 PolarHBondContact N-O 3.39Å; T53-A61 PolarHBondContact OG1-N 2.88Å; T53-A61 PolarHBondContact OG1-O 2.99Å | ||
| 62 | V | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.3 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 108 | Y50 F52 F64 T74 P76 V81 I85 | Y50-V62 HydrophobicContact CD2-CG1 4.34Å; F52-V62 HydrophobicContact CD1-CG2 3.7Å; F52-V62 HydrophobicContact CE1-CG2 3.43Å; F52-V62 VanDerWaalsContact CE1-CG2 3.43Å; F52-V62 HydrophobicContact CZ-CG2 4.27Å; V62-F64 HydrophobicContact CG1-CD2 4.46Å; V62-F64 HydrophobicContact CG1-CE1 4.19Å; V62-F64 HydrophobicContact CG1-CE2 4.09Å; V62-F64 HydrophobicContact CG1-CZ 3.94Å; V62-T74 PolarHBondContact N-O 3.48Å; V62-T74 PolarHBondContact O-N 2.82Å; V62-T74 PolarHBondContact O-OG1 3.3Å; V62-P76 HydrophobicContact CG2-CB 4.06Å; V62-V81 HydrophobicContact CB-CG1 4.02Å; V62-V81 HydrophobicContact CG1-CG1 4.25Å; V62-V81 HydrophobicContact CG2-CG1 4.09Å; V62-I85 HydrophobicContact CG1-CD1 4.15Å; V62-I85 HydrophobicContact CG1-CG1 4.27Å; V62-I85 HydrophobicContact CG2-CD1 3.68Å |
| 63 | I | 97.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.4 | 173.8 | -58.3 | 169.9 | 0 | 0 | 0 | 107.3 | T32 C34 Y50 E51 T53 K71 V72 | T32-I63 HydrophobicContact CG2-CD1 3.75Å; C34-I63 VanDerWaalsContact SG-CG1 3.59Å; Y50-I63 CarbonylContact C-O 3.55Å; Y50-I63 VanDerWaalsContact CA-O 3.25Å; Y50-I63 WeakPolarHBondContact CA-O 3.28Å; E51-I63 HydrophobicContact CG-CB 3.7Å; E51-I63 HydrophobicContact CG-CD1 4.27Å; E51-I63 HydrophobicContact CG-CG1 4.47Å; E51-I63 HydrophobicContact CG-CG2 4.2Å; E51-I63 PolarHBondContact N-O 3.24Å; E51-I63 PolarHBondContact O-N 2.83Å; T53-I63 HydrophobicContact CG2-CD1 4.02Å; T53-I63 HydrophobicContact CG2-CG1 4.2Å; I63-K71 HydrophobicContact CG2-CB 3.82Å; I63-K71 HydrophobicContact CG2-CD 4.19Å; I63-K71 HydrophobicContact CG2-CG 4.17Å; I63-V72 WeakPolarHBondContact CA-O 3.46Å |
| 64 | F | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.9 | 167.3 | -71.7 | -65.3 | 0 | 0 | 0 | 110 | L42 V47 S49 Y50 V62 K71 V72 T74 W80 V81 Y84 I85 L88 | L42-F64 HydrophobicContact CD1-CB 3.77Å; L42-F64 HydrophobicContact CD1-CD2 4.2Å; L42-F64 HydrophobicContact CD1-CG 4.3Å; V47-F64 HydrophobicContact CG1-CB 4.44Å; V47-F64 HydrophobicContact CG1-CD1 3.73Å; V47-F64 HydrophobicContact CG1-CE1 4.37Å; V47-F64 HydrophobicContact CG1-CG 4.3Å; S49-F64 WeakPolarHBondContact O-CA 3.34Å; Y50-F64 HydrophobicContact CG-CE1 4.45Å; V62-F64 HydrophobicContact CG1-CD2 4.46Å; V62-F64 HydrophobicContact CG1-CE1 4.19Å; V62-F64 HydrophobicContact CG1-CE2 4.09Å; V62-F64 HydrophobicContact CG1-CZ 3.94Å; F64-K71 CarbonylContact O-C 3.55Å; F64-K71 WeakPolarHBondContact O-CA 3.43Å; F64-V72 PolarHBondContact N-O 2.99Å; F64-V72 PolarHBondContact O-N 2.84Å; F64-T74 HydrophobicContact CD2-CG2 3.76Å; F64-T74 HydrophobicContact CE2-CG2 4.19Å; F64-T74 WeakPolarHBondContact CE2-OG1 3.25Å; F64-W80 HydrophobicContact CD2-CH2 4.27Å; F64-W80 HydrophobicContact CD2-CZ3 4.12Å; F64-W80 HydrophobicContact CE2-CH2 4.13Å; F64-W80 AromaticContact CE2-CZ3 3.74Å; F64-W80 HydrophobicContact CE2-CZ3 3.74Å; F64-V81 HydrophobicContact CE2-CB 4.33Å; F64-V81 HydrophobicContact CE2-CG1 3.9Å; F64-V81 HydrophobicContact CE2-CG2 4.21Å; F64-V81 HydrophobicContact CZ-CG1 4.04Å; F64-Y84 HydrophobicContact CE1-CD2 4.49Å; F64-Y84 HydrophobicContact CZ-CD2 4.31Å; F64-Y84 HydrophobicContact CZ-CG 4.43Å; F64-I85 HydrophobicContact CZ-CG1 4.36Å; F64-L88 HydrophobicContact CD1-CD1 4.18Å; F64-L88 HydrophobicContact CE1-CD1 3.95Å |
| 65 | T | 97.6 | Very high | 95.5 | Very high | 19 Ų | 19 | 62.7 Ų | 62.7 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.3 | 169 | -57.1 | 0 | 0 | 0 | 0 | 108.2 | Q48 S49 | Q48-T65 WeakPolarHBondContact CB-O 3.49Å; Q48-T65 PolarHBondContact N-O 3.48Å; S49-T65 PolarHBondContact N-O 3.29Å; S49-T65 PolarHBondContact O-N 3.41Å; S49-T65 WeakPolarHBondContact OG-CB 3.38Å |
| 66 | T | 97.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 161.9 | 175.3 | 67.3 | 0 | 0 | 0 | 0 | 111 | R46 Q48 R68 G69 K70 | R46-T66 CarbonylContact O-C 3.42Å; R46-T66 WeakPolarHBondContact O-CA 3.47Å; R46-T66 VanDerWaalsContact O-CB 3.29Å; R46-T66 WeakPolarHBondContact O-CB 3.35Å; Q48-T66 PolarHBondContact OE1-O 2.04Å; T66-R68 PolarHBondContact O-N 3.44Å; T66-R68 PolarHBondContact OG1-N 3.07Å; T66-G69 WeakPolarHBondContact O-CA 3.25Å; T66-G69 PolarHBondContact O-N 2.81Å; T66-K70 HydrophobicContact CG2-CB 4.42Å; T66-K70 PolarHBondContact N-O 2.91Å; T66-K70 WeakPolarHBondContact OG1-CB 3.39Å; T66-K70 PolarHBondContact OG1-N 3.03Å; T66-K70 PolarHBondContact OG1-O 3.17Å |
| 67 | K | 97.3 | Very high | 96 | Very high | 139 Ų | 139 | 63.9 Ų | 63.9 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -17.3 | 174 | -66.4 | 178.5 | 177.7 | 172.4 | 0 | 114.3 | T45 R46 Q48 | T45-K67 WeakPolarHBondContact O-CD 3.43Å; T45-K67 WeakPolarHBondContact O-CE 3.39Å; T45-K67 PolarHBondContact O-NZ 2.91Å; R46-K67 PolarHBondContact O-N 2.92Å; Q48-K67 HydrophobicContact CB-CG 3.97Å |
| 68 | R | 97.3 | Very high | 96.2 | Very high | 243 Ų | 243 | 68.9 Ų | 68.9 | 92% | 0.917 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 12 | 174.2 | -65 | -174.2 | 176.7 | 179.7 | -2.8 | 113 | T66 K70 | T66-R68 PolarHBondContact O-N 3.44Å; T66-R68 PolarHBondContact OG1-N 3.07Å; R68-K70 PolarHBondContact O-N 2.8Å |
| 69 | G | 96.3 | Very high | 96.5 | Very high | 49 Ų | 49 | 72.5 Ų | 72.5 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 76.6 | -5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T66 K71 | T66-G69 WeakPolarHBondContact O-CA 3.25Å; T66-G69 PolarHBondContact O-N 2.81Å; G69-K71 PolarHBondContact O-N 3.4Å |
| 70 | K | 96.1 | Very high | 96.8 | Very high | 145 Ų | 145 | 70.4 Ų | 70.4 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | trans | -66.1 | 124.7 | 177.7 | -174.9 | 177.6 | -177.1 | 173.1 | 0 | 110.7 | T66 R68 V72 | T66-K70 HydrophobicContact CG2-CB 4.42Å; T66-K70 PolarHBondContact N-O 2.91Å; T66-K70 WeakPolarHBondContact OG1-CB 3.39Å; T66-K70 PolarHBondContact OG1-N 3.03Å; T66-K70 PolarHBondContact OG1-O 3.17Å; R68-K70 PolarHBondContact O-N 2.8Å; K70-V72 HydrophobicContact CD-CG2 4.39Å; K70-V72 HydrophobicContact CG-CG2 4.2Å | ||
| 71 | K | 96.1 | Very high | 97 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 47% | 0.474 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.1 | 170.7 | -65.6 | -168.3 | 175.7 | -153.7 | 0 | 110.9 | E51 I63 F64 G69 | E51-K71 IonicContact OE1-NZ 2.8Å; E51-K71 PolarHBondContact OE1-NZ 3.4Å; E51-K71 IonicContact OE2-NZ 3.98Å; I63-K71 HydrophobicContact CG2-CB 3.82Å; I63-K71 HydrophobicContact CG2-CD 4.19Å; I63-K71 HydrophobicContact CG2-CG 4.17Å; F64-K71 CarbonylContact O-C 3.55Å; F64-K71 WeakPolarHBondContact O-CA 3.43Å; G69-K71 PolarHBondContact O-N 3.4Å |
| 72 | V | 96.9 | Very high | 97 | Very high | 18 Ų | 18 | 71.4 Ų | 71.4 | 11% | 0.109 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 115.3 | -178.4 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | L42 I63 F64 K70 T74 | L42-V72 HydrophobicContact CD1-CB 3.97Å; L42-V72 HydrophobicContact CD1-CG1 4.11Å; L42-V72 HydrophobicContact CD1-CG2 4.18Å; L42-V72 HydrophobicContact CD2-CG1 4.33Å; L42-V72 HydrophobicContact CD2-CG2 4.14Å; L42-V72 HydrophobicContact CG-CG1 4.46Å; I63-V72 WeakPolarHBondContact CA-O 3.46Å; F64-V72 PolarHBondContact N-O 2.99Å; F64-V72 PolarHBondContact O-N 2.84Å; K70-V72 HydrophobicContact CD-CG2 4.39Å; K70-V72 HydrophobicContact CG-CG2 4.2Å; V72-T74 HydrophobicContact CG1-CG2 4.12Å |
| 73 | C | 97.4 | Very high | 97 | Very high | 34 Ų | 34 | 80 Ų | 80 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.9 | 173.1 | -70.8 | 0 | 0 | 0 | 0 | 111.4 | C34 Q36 S38 | C34-C73 HydrophobicContact CB-CB 3.58Å; C34-C73 WeakPolarHBondContact CB-SG 2.98Å; C34-C73 WeakPolarHBondContact SG-CB 3.03Å; C34-C73 CovalentContact SG-SG 2.04Å; C34-C73 PolarHBondContact SG-SG 3.16Å; Q36-C73 WeakPolarHBondContact O-CB 3.14Å; S38-C73 PolarHBondContact N-O 2.05Å |
| 74 | T | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.7 | -178.1 | 65.9 | 0 | 0 | 0 | 0 | 112 | H37 V62 F64 V72 W80 | H37-T74 PolarHBondContact CD2-O 3.02Å; V62-T74 PolarHBondContact N-O 3.48Å; V62-T74 PolarHBondContact O-N 2.82Å; V62-T74 PolarHBondContact O-OG1 3.3Å; F64-T74 HydrophobicContact CD2-CG2 3.76Å; F64-T74 HydrophobicContact CE2-CG2 4.19Å; F64-T74 WeakPolarHBondContact CE2-OG1 3.25Å; V72-T74 HydrophobicContact CG1-CG2 4.12Å; T74-W80 HydrophobicContact CG2-CH2 3.63Å; T74-W80 HydrophobicContact CG2-CZ2 4.02Å |
| 75 | N | 96.9 | Very high | 97 | Very high | 48 Ų | 48 | 82.5 Ų | 82.5 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | trans | -80.2 | 121.3 | -178.8 | -179.8 | -21.8 | 0 | 0 | 0 | 110.4 | H37 K77 K78 V81 | H37-N75 HydrophobicContact CB-CB 4.23Å; N75-K77 PolarHBondContact O-N 3.15Å; N75-K77 VanDerWaalsContact O-N 3.09Å; N75-K77 VanDerWaalsContact OD1-CB 3.28Å; N75-K77 WeakPolarHBondContact OD1-CB 3.08Å; N75-K77 PolarHBondContact OD1-N 2.71Å; N75-K78 HydrophobicContact CB-CG 4.08Å; N75-K78 PolarHBondContact O-N 2.84Å; N75-K78 VanDerWaalsContact O-N 3.12Å; N75-V81 WeakPolarHBondContact O-CG2 3.37Å | ||
| 76 | P | 96.3 | Very high | 97 | Very high | 35 Ų | 35 | 85 Ų | 85 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.6 | -177.2 | 25.1 | -34 | 0 | 0 | 0 | 113.9 | V62 K78 Q82 | V62-P76 HydrophobicContact CG2-CB 4.06Å; P76-K78 VanDerWaalsContact C-N 3.3Å; P76-K78 PolarHBondContact O-N 3.45Å; P76-Q82 WeakPolarHBondContact O-CG 3.3Å; P76-Q82 PolarHBondContact O-NE2 2.78Å |
| 77 | K | 95.7 | Very high | 97 | Very high | 177 Ų | 177 | 87.4 Ų | 87.4 | 77% | 0.77 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8 | 179.4 | -57.5 | -178 | 177.7 | -178.3 | 0 | 113.3 | N75 | N75-K77 PolarHBondContact O-N 3.15Å; N75-K77 VanDerWaalsContact O-N 3.09Å; N75-K77 VanDerWaalsContact OD1-CB 3.28Å; N75-K77 WeakPolarHBondContact OD1-CB 3.08Å; N75-K77 PolarHBondContact OD1-N 2.71Å |
| 78 | K | 97 | Very high | 97 | Very high | 117 Ų | 117 | 81.5 Ų | 81.5 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -80.4 | 130 | 179.6 | -66.6 | -68.6 | -175.1 | -179.6 | 0 | 110.4 | N75 P76 W80 V81 Q82 | N75-K78 HydrophobicContact CB-CG 4.08Å; N75-K78 PolarHBondContact O-N 2.84Å; N75-K78 VanDerWaalsContact O-N 3.12Å; P76-K78 VanDerWaalsContact C-N 3.3Å; P76-K78 PolarHBondContact O-N 3.45Å; K78-W80 VanDerWaalsContact C-N 3.27Å; K78-W80 PolarHBondContact O-N 2.93Å; K78-V81 HydrophobicContact CB-CB 4.3Å; K78-V81 HydrophobicContact CB-CG2 3.83Å; K78-V81 WeakPolarHBondContact O-CB 3.33Å; K78-V81 PolarHBondContact O-N 2.86Å; K78-Q82 PolarHBondContact O-N 3.08Å |
| 79 | K | 96.9 | Very high | 96.9 | Very high | 188 Ų | 188 | 75.4 Ų | 75.4 | 82% | 0.817 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -51.9 | -41.6 | -178.9 | -66.8 | -173.1 | 178.2 | -177.2 | 0 | 113.5 | V81 Q82 R83 | K79-V81 VanDerWaalsContact C-N 3.33Å; K79-V81 PolarHBondContact O-N 2.8Å; K79-Q82 PolarHBondContact O-N 3.35Å; K79-R83 PolarHBondContact O-N 2.8Å |
| 80 | W | 96.8 | Very high | 96.7 | Very high | 55 Ų | 55 | 76.6 Ų | 76.6 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.3 | -33.4 | 179.5 | 73.9 | -97.7 | 0 | 0 | 0 | 112.9 | L42 F64 T74 K78 R83 Y84 | L42-W80 HydrophobicContact CB-CZ3 4.44Å; L42-W80 HydrophobicContact CG-CH2 4.37Å; F64-W80 HydrophobicContact CD2-CH2 4.27Å; F64-W80 HydrophobicContact CD2-CZ3 4.12Å; F64-W80 HydrophobicContact CE2-CH2 4.13Å; F64-W80 AromaticContact CE2-CZ3 3.74Å; F64-W80 HydrophobicContact CE2-CZ3 3.74Å; T74-W80 HydrophobicContact CG2-CH2 3.63Å; T74-W80 HydrophobicContact CG2-CZ2 4.02Å; K78-W80 VanDerWaalsContact C-N 3.27Å; K78-W80 PolarHBondContact O-N 2.93Å; W80-R83 PolarHBondContact O-N 2.75Å; W80-Y84 AromaticContact CE3-CD2 4Å; W80-Y84 HydrophobicContact CE3-CD2 4Å; W80-Y84 HydrophobicContact CE3-CE2 4.06Å; W80-Y84 HydrophobicContact CE3-CG 4.34Å; W80-Y84 AromaticContact CZ3-CD2 3.94Å; W80-Y84 HydrophobicContact CZ3-CD2 3.94Å; W80-Y84 HydrophobicContact CZ3-CE2 4.05Å; W80-Y84 WeakPolarHBondContact O-CD1 3.07Å; W80-Y84 PolarHBondContact O-N 2.72Å |
| 81 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | V62 F64 N75 K78 K79 R83 Y84 I85 | V62-V81 HydrophobicContact CB-CG1 4.02Å; V62-V81 HydrophobicContact CG1-CG1 4.25Å; V62-V81 HydrophobicContact CG2-CG1 4.09Å; F64-V81 HydrophobicContact CE2-CB 4.33Å; F64-V81 HydrophobicContact CE2-CG1 3.9Å; F64-V81 HydrophobicContact CE2-CG2 4.21Å; F64-V81 HydrophobicContact CZ-CG1 4.04Å; N75-V81 WeakPolarHBondContact O-CG2 3.37Å; K78-V81 HydrophobicContact CB-CB 4.3Å; K78-V81 HydrophobicContact CB-CG2 3.83Å; K78-V81 WeakPolarHBondContact O-CB 3.33Å; K78-V81 PolarHBondContact O-N 2.86Å; K79-V81 VanDerWaalsContact C-N 3.33Å; K79-V81 PolarHBondContact O-N 2.8Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.37Å; V81-Y84 PolarHBondContact O-N 3.26Å; V81-I85 HydrophobicContact CG1-CD1 4.13Å; V81-I85 WeakPolarHBondContact O-CG1 3.33Å; V81-I85 PolarHBondContact O-N 3.31Å |
| 82 | Q | 97.8 | Very high | 95.5 | Very high | 107 Ų | 107 | 77.2 Ų | 77.2 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.6 | -64.8 | 176.7 | -24.5 | 0 | 0 | 112 | P76 K78 K79 Y84 I85 S86 | P76-Q82 WeakPolarHBondContact O-CG 3.3Å; P76-Q82 PolarHBondContact O-NE2 2.78Å; K78-Q82 PolarHBondContact O-N 3.08Å; K79-Q82 PolarHBondContact O-N 3.35Å; Q82-Y84 VanDerWaalsContact C-N 3.34Å; Q82-Y84 PolarHBondContact O-N 2.97Å; Q82-I85 PolarHBondContact O-N 3.45Å; Q82-S86 PolarHBondContact O-N 3.29Å |
| 83 | R | 97.5 | Very high | 94.2 | Very high | 179 Ų | 179 | 83.2 Ų | 83.2 | 68% | 0.675 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.7 | -44.8 | 174.7 | -176 | 175.9 | 179.6 | 171.2 | 0.6 | 111.7 | K79 W80 V81 S86 L87 | K79-R83 PolarHBondContact O-N 2.8Å; W80-R83 PolarHBondContact O-N 2.75Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.37Å; R83-S86 PolarHBondContact O-N 3.34Å; R83-L87 HydrophobicContact CG-CD1 4.2Å; R83-L87 WeakPolarHBondContact O-CG 3.44Å; R83-L87 PolarHBondContact O-N 3.22Å |
| 84 | Y | 97.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 90.3 Ų | 90.3 | 12% | 0.118 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.7 | -40 | -179.1 | -79.8 | 20.3 | 0 | 0 | 0 | 112 | L42 W44 V47 F64 W80 V81 Q82 S86 L87 L88 | L42-Y84 WeakPolarHBondContact O-CE2 3.36Å; L42-Y84 PolarHBondContact O-OH 3.47Å; W44-Y84 WeakPolarHBondContact CA-OH 3.38Å; W44-Y84 HydrophobicContact CB-CE1 4.12Å; W44-Y84 HydrophobicContact CB-CE2 4.39Å; W44-Y84 VanDerWaalsContact CB-OH 3.29Å; W44-Y84 WeakPolarHBondContact CB-OH 3.49Å; W44-Y84 HydrophobicContact CD2-CE1 4.27Å; W44-Y84 AromaticContact CE3-CD1 3.56Å; W44-Y84 HydrophobicContact CE3-CD1 3.56Å; W44-Y84 AromaticContact CE3-CD2 3.71Å; W44-Y84 HydrophobicContact CE3-CD2 3.71Å; W44-Y84 AromaticContact CE3-CE1 3.63Å; W44-Y84 HydrophobicContact CE3-CE1 3.63Å; W44-Y84 AromaticContact CE3-CE2 3.78Å; W44-Y84 HydrophobicContact CE3-CE2 3.78Å; W44-Y84 AromaticContact CE3-CG 3.61Å; W44-Y84 HydrophobicContact CE3-CG 3.61Å; W44-Y84 AromaticContact CE3-CZ 3.75Å; W44-Y84 HydrophobicContact CG-CE1 4.5Å; W44-Y84 AromaticContact CZ3-CD1 3.93Å; W44-Y84 HydrophobicContact CZ3-CD1 3.93Å; W44-Y84 HydrophobicContact CZ3-CD2 4.07Å; W44-Y84 HydrophobicContact CZ3-CE1 4.45Å; W44-Y84 AromaticContact CZ3-CG 3.72Å; W44-Y84 HydrophobicContact CZ3-CG 3.72Å; W44-Y84 PolarHBondContact N-OH 2.8Å; V47-Y84 HydrophobicContact CB-CD2 4.45Å; V47-Y84 HydrophobicContact CG1-CD2 4.46Å; V47-Y84 HydrophobicContact CG2-CD2 3.8Å; V47-Y84 HydrophobicContact CG2-CE2 3.64Å; F64-Y84 HydrophobicContact CE1-CD2 4.49Å; F64-Y84 HydrophobicContact CZ-CD2 4.31Å; F64-Y84 HydrophobicContact CZ-CG 4.43Å; W80-Y84 AromaticContact CE3-CD2 4Å; W80-Y84 HydrophobicContact CE3-CD2 4Å; W80-Y84 HydrophobicContact CE3-CE2 4.06Å; W80-Y84 HydrophobicContact CE3-CG 4.34Å; W80-Y84 AromaticContact CZ3-CD2 3.94Å; W80-Y84 HydrophobicContact CZ3-CD2 3.94Å; W80-Y84 HydrophobicContact CZ3-CE2 4.05Å; W80-Y84 WeakPolarHBondContact O-CD1 3.07Å; W80-Y84 PolarHBondContact O-N 2.72Å; V81-Y84 PolarHBondContact O-N 3.26Å; Q82-Y84 VanDerWaalsContact C-N 3.34Å; Q82-Y84 PolarHBondContact O-N 2.97Å; Y84-S86 VanDerWaalsContact C-N 3.32Å; Y84-S86 PolarHBondContact O-N 2.73Å; Y84-L87 PolarHBondContact O-N 3.02Å; Y84-L88 WeakPolarHBondContact O-CB 3.41Å; Y84-L88 VanDerWaalsContact O-CG 3.28Å; Y84-L88 WeakPolarHBondContact O-CG 3.49Å; Y84-L88 PolarHBondContact O-N 3.44Å |
| 85 | I | 97.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 94.8 Ų | 94.8 | 14% | 0.138 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 172.9 | -68 | 168 | 0 | 0 | 0 | 110.3 | Y50 F52 V62 F64 V81 Q82 L87 L88 K89 | Y50-I85 HydrophobicContact CD2-CG1 4.09Å; Y50-I85 HydrophobicContact CE1-CG2 4.33Å; Y50-I85 HydrophobicContact CE2-CG1 4.26Å; Y50-I85 HydrophobicContact CE2-CG2 3.92Å; Y50-I85 HydrophobicContact CG-CG1 4.38Å; F52-I85 HydrophobicContact CE1-CD1 4.33Å; F52-I85 HydrophobicContact CZ-CD1 4Å; V62-I85 HydrophobicContact CG1-CD1 4.15Å; V62-I85 HydrophobicContact CG1-CG1 4.27Å; V62-I85 HydrophobicContact CG2-CD1 3.68Å; F64-I85 HydrophobicContact CZ-CG1 4.36Å; V81-I85 HydrophobicContact CG1-CD1 4.13Å; V81-I85 WeakPolarHBondContact O-CG1 3.33Å; V81-I85 PolarHBondContact O-N 3.31Å; Q82-I85 PolarHBondContact O-N 3.45Å; I85-L87 PolarHBondContact O-N 3.08Å; I85-L88 PolarHBondContact O-N 3.34Å; I85-K89 VanDerWaalsContact O-CB 3.25Å; I85-K89 WeakPolarHBondContact O-CB 3.18Å; I85-K89 PolarHBondContact O-N 3.14Å |
| 86 | S | 97.6 | Very high | 91.7 | Very high | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | Q82 R83 Y84 K89 T90 | Q82-S86 PolarHBondContact O-N 3.29Å; R83-S86 PolarHBondContact O-N 3.34Å; Y84-S86 VanDerWaalsContact C-N 3.32Å; Y84-S86 PolarHBondContact O-N 2.73Å; S86-K89 PolarHBondContact O-N 3.11Å; S86-T90 PolarHBondContact O-N 3.41Å; S86-T90 PolarHBondContact O-OG1 3.49Å; S86-T90 VanDerWaalsContact O-OG1 3.12Å |
| 87 | L | 96.7 | Very high | 91.4 | Very high | 64 Ų | 64 | 100.7 Ų | 100.7 | 34% | 0.335 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 178.3 | -70.2 | 170.9 | 0 | 0 | 0 | 111.8 | W44 R83 Y84 I85 K89 T90 Q91 | W44-L87 HydrophobicContact CD2-CD1 4.29Å; W44-L87 HydrophobicContact CE3-CD1 4.27Å; W44-L87 HydrophobicContact CH2-CB 3.35Å; W44-L87 HydrophobicContact CH2-CD1 3.88Å; W44-L87 HydrophobicContact CH2-CG 4.26Å; W44-L87 HydrophobicContact CZ2-CB 3.78Å; W44-L87 HydrophobicContact CZ2-CD1 3.89Å; W44-L87 HydrophobicContact CZ2-CG 4.42Å; W44-L87 HydrophobicContact CZ3-CB 4.04Å; W44-L87 HydrophobicContact CZ3-CD1 4.07Å; R83-L87 HydrophobicContact CG-CD1 4.2Å; R83-L87 WeakPolarHBondContact O-CG 3.44Å; R83-L87 PolarHBondContact O-N 3.22Å; Y84-L87 PolarHBondContact O-N 3.02Å; I85-L87 PolarHBondContact O-N 3.08Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.07Å; L87-T90 PolarHBondContact O-N 3.43Å; L87-Q91 VanDerWaalsContact O-CG 3.28Å; L87-Q91 WeakPolarHBondContact O-CG 3.46Å; L87-Q91 PolarHBondContact O-N 3.46Å |
| 88 | L | 96.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 96.2 Ų | 96.2 | 8% | 0.079 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -67.7 | -33.4 | 178.9 | -69.7 | 168.4 | 0 | 0 | 0 | 112.2 | W44 V47 Y50 F64 Y84 I85 Q91 K92 | W44-L88 HydrophobicContact CH2-CD2 3.88Å; W44-L88 HydrophobicContact CH2-CG 3.82Å; W44-L88 HydrophobicContact CZ3-CD1 4.47Å; W44-L88 HydrophobicContact CZ3-CD2 4.32Å; W44-L88 HydrophobicContact CZ3-CG 4.03Å; V47-L88 HydrophobicContact CG1-CD1 3.81Å; Y50-L88 HydrophobicContact CD1-CB 3.64Å; Y50-L88 HydrophobicContact CD1-CD1 3.61Å; Y50-L88 HydrophobicContact CD1-CG 4.27Å; Y50-L88 HydrophobicContact CE1-CB 3.78Å; Y50-L88 HydrophobicContact CG-CD1 4.28Å; F64-L88 HydrophobicContact CD1-CD1 4.18Å; F64-L88 HydrophobicContact CE1-CD1 3.95Å; Y84-L88 WeakPolarHBondContact O-CB 3.41Å; Y84-L88 VanDerWaalsContact O-CG 3.28Å; Y84-L88 WeakPolarHBondContact O-CG 3.49Å; Y84-L88 PolarHBondContact O-N 3.44Å; I85-L88 PolarHBondContact O-N 3.34Å; L88-Q91 PolarHBondContact O-N 3.46Å; L88-K92 WeakPolarHBondContact O-CG 3.2Å; L88-K92 PolarHBondContact O-N 3.35Å |
| 89 | K | 95.6 | Very high | 90.8 | Very high | 116 Ų | 116 | 94.9 Ų | 94.9 | 50% | 0.504 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.3 | -175.5 | 176.6 | 178.6 | -178 | 0 | 111 | I85 S86 L87 Q91 K92 Q93 | I85-K89 VanDerWaalsContact O-CB 3.25Å; I85-K89 WeakPolarHBondContact O-CB 3.18Å; I85-K89 PolarHBondContact O-N 3.14Å; S86-K89 PolarHBondContact O-N 3.11Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.07Å; K89-Q91 VanDerWaalsContact C-N 3.35Å; K89-K92 PolarHBondContact O-N 3.32Å; K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 3.24Å |
| 90 | T | 92.3 | Very high | 90.4 | Very high | 73 Ų | 73 | 88.7 Ų | 88.7 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | S86 L87 K92 Q93 L94 | S86-T90 PolarHBondContact O-N 3.41Å; S86-T90 PolarHBondContact O-OG1 3.49Å; S86-T90 VanDerWaalsContact O-OG1 3.12Å; L87-T90 PolarHBondContact O-N 3.43Å; T90-K92 PolarHBondContact O-N 3.44Å; T90-Q93 PolarHBondContact O-N 3.37Å; T90-L94 HydrophobicContact CG2-CD1 4.41Å; T90-L94 PolarHBondContact O-N 3.03Å |
| 91 | Q | 87 | Confident | 89.9 | Confident | 126 Ų | 126 | 91.1 Ų | 91.1 | 59% | 0.589 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.6 | -34.3 | 177.7 | -70.4 | -74.1 | -52.8 | 0 | 0 | 113.5 | L87 L88 K89 Q93 | L87-Q91 VanDerWaalsContact O-CG 3.28Å; L87-Q91 WeakPolarHBondContact O-CG 3.46Å; L87-Q91 PolarHBondContact O-N 3.46Å; L88-Q91 PolarHBondContact O-N 3.46Å; K89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-Q93 PolarHBondContact O-N 3.12Å |
| 92 | K | 79.6 | Confident | 89.4 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 61% | 0.613 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.9 | 176.4 | -79 | -175 | 176.4 | -176.8 | 0 | 113.9 | L88 K89 T90 | L88-K92 WeakPolarHBondContact O-CG 3.2Å; L88-K92 PolarHBondContact O-N 3.35Å; K89-K92 PolarHBondContact O-N 3.32Å; T90-K92 PolarHBondContact O-N 3.44Å |
| 93 | Q | 69.8 | Low | 88.7 | Confident | 145 Ų | 145 | 97.4 Ų | 97.4 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -5 | -179.1 | -71.2 | 177.4 | -27.3 | 0 | 0 | 112.8 | K89 T90 Q91 | K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 3.24Å; T90-Q93 PolarHBondContact O-N 3.37Å; Q91-Q93 PolarHBondContact O-N 3.12Å |
| 94 | L | 55.8 | Low | 87.8 | Confident | 182 Ų | 182 | 90 Ų | 90 | 95% | 0.953 | 45% | 0.45 | S | S | * | . | trans | -97.9 | 0 | 171 | -75.7 | 156.8 | 0 | 0 | 0 | 108.9 | T90 | T90-L94 HydrophobicContact CG2-CD1 4.41Å; T90-L94 PolarHBondContact O-N 3.03Å |
Retrieved 94 of 94 residues in 88.5 ms
(Link to these results)