| 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 | 68.5 | Low | 209 Ų | 209 | 125.6 Ų | 125.6 | 100% | 1.03 | 62% | 0.622 | S | S | * | * | 0 | -34.7 | 0 | -60.2 | -172.2 | -163.9 | 0 | 0 | 113.8 | C3 | M1-C3 PolarHBondContact O-N 3.07Š| |||
| 2 | R | 58.8 | Low | 68.7 | Low | 223 Ų | 223 | 124.3 Ų | 124.3 | 84% | 0.842 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.9 | -35.1 | 178.4 | -72.5 | 177.6 | 172.7 | 177.7 | -3.6 | 115.4 | I5 C6 | R2-I5 PolarHBondContact O-N 2.97Å; R2-C6 PolarHBondContact O-N 3.2Å; R2-C6 VanDerWaalsContact O-N 3.14Å; R2-C6 PolarHBondContact O-SG 3.15Å; R2-C6 VanDerWaalsContact O-SG 3.36Å |
| 3 | C | 60.9 | Low | 68.6 | Low | 99 Ų | 99 | 121.7 Ų | 121.7 | 67% | 0.669 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -37 | -177.9 | -160.9 | 0 | 0 | 0 | 0 | 113.4 | M1 I5 C6 V7 | M1-C3 PolarHBondContact O-N 3.07Å; C3-I5 VanDerWaalsContact C-N 3.33Å; C3-I5 PolarHBondContact O-N 2.63Å; C3-C6 PolarHBondContact O-N 3.35Å; C3-V7 WeakPolarHBondContact O-CG2 3.25Å; C3-V7 PolarHBondContact O-N 2.92Å; C3-V7 VanDerWaalsContact O-N 3.13Å |
| 4 | R | 64.5 | Low | 68.3 | Low | 212 Ų | 212 | 120.9 Ų | 120.9 | 80% | 0.8 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69 | -33.1 | 177.3 | -70 | -169.9 | 171 | -174.2 | -2.9 | 112.4 | L8 | R4-L8 WeakPolarHBondContact O-CG 3.19Å; R4-L8 PolarHBondContact O-N 2.93Å; R4-L8 VanDerWaalsContact O-N 3.13Å |
| 5 | I | 70.9 | Confident | 67.8 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 49% | 0.492 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.7 | -41.5 | 176.7 | -64.2 | 166.8 | 0 | 0 | 0 | 110.2 | R2 C3 V7 L8 I9 | R2-I5 PolarHBondContact O-N 2.97Å; C3-I5 VanDerWaalsContact C-N 3.33Å; C3-I5 PolarHBondContact O-N 2.63Å; I5-V7 VanDerWaalsContact C-N 3.35Å; I5-V7 PolarHBondContact O-N 3.27Å; I5-L8 PolarHBondContact O-N 2.86Å; I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.37Å; I5-I9 WeakPolarHBondContact O-CB 3.39Å; I5-I9 VanDerWaalsContact O-CG1 3.24Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.13Å |
| 6 | C | 70.1 | Confident | 67.4 | Low | 71 Ų | 71 | 121.6 Ų | 121.6 | 48% | 0.48 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.6 | -39.5 | 175 | -67.2 | 0 | 0 | 0 | 0 | 112.8 | R2 C3 I9 L10 | R2-C6 PolarHBondContact O-N 3.2Å; R2-C6 VanDerWaalsContact O-N 3.14Å; R2-C6 PolarHBondContact O-SG 3.15Å; R2-C6 VanDerWaalsContact O-SG 3.36Å; C3-C6 PolarHBondContact O-N 3.35Å; C6-I9 PolarHBondContact O-N 3.05Å; C6-L10 WeakPolarHBondContact O-CB 3.44Å; C6-L10 PolarHBondContact O-N 3.15Å |
| 7 | V | 76.7 | Confident | 66.7 | Low | 77 Ų | 77 | 122.1 Ų | 122.1 | 47% | 0.467 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.1 | -39.8 | 177.9 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | C3 I5 L10 L11 | C3-V7 WeakPolarHBondContact O-CG2 3.25Å; C3-V7 PolarHBondContact O-N 2.92Å; C3-V7 VanDerWaalsContact O-N 3.13Å; I5-V7 VanDerWaalsContact C-N 3.35Å; I5-V7 PolarHBondContact O-N 3.27Å; V7-L10 PolarHBondContact O-N 3.37Å; V7-L11 HydrophobicContact CG1-CD1 3.98Å; V7-L11 WeakPolarHBondContact O-CB 3.36Å; V7-L11 WeakPolarHBondContact O-CG 3.06Å; V7-L11 PolarHBondContact O-N 2.84Å |
| 8 | L | 73.9 | Confident | 66.2 | Low | 107 Ų | 107 | 121.2 Ų | 121.2 | 56% | 0.56 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.2 | -39.5 | 175.4 | -72.3 | 168.7 | 0 | 0 | 0 | 112.1 | R4 I5 L11 L12 | R4-L8 WeakPolarHBondContact O-CG 3.19Å; R4-L8 PolarHBondContact O-N 2.93Å; R4-L8 VanDerWaalsContact O-N 3.13Å; I5-L8 PolarHBondContact O-N 2.86Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 PolarHBondContact O-N 2.84Å |
| 9 | I | 74.4 | Confident | 65.5 | Low | 91 Ų | 91 | 118.8 Ų | 118.8 | 47% | 0.467 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.9 | -39.3 | 175.9 | -69.2 | 168.5 | 0 | 0 | 0 | 110.9 | I5 C6 L12 L13 | I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.37Å; I5-I9 WeakPolarHBondContact O-CB 3.39Å; I5-I9 VanDerWaalsContact O-CG1 3.24Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.13Å; C6-I9 PolarHBondContact O-N 3.05Å; I9-L12 PolarHBondContact O-N 3.47Å; I9-L13 HydrophobicContact CG2-CD1 3.74Å; I9-L13 VanDerWaalsContact O-CB 3.31Å; I9-L13 WeakPolarHBondContact O-CB 3.38Å; I9-L13 WeakPolarHBondContact O-CD1 2.97Å; I9-L13 WeakPolarHBondContact O-CG 3.27Å; I9-L13 PolarHBondContact O-N 2.86Å |
| 10 | L | 72.2 | Confident | 65 | Low | 103 Ų | 103 | 118 Ų | 118 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66 | -40.9 | 174.5 | -90.7 | 153.3 | 0 | 0 | 0 | 112.4 | C6 V7 L13 L14 | C6-L10 WeakPolarHBondContact O-CB 3.44Å; C6-L10 PolarHBondContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 2.71Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CD1 3.11Å; L10-L14 WeakPolarHBondContact O-CG 3.1Å; L10-L14 PolarHBondContact O-N 3.49Å |
| 11 | L | 72 | Confident | 64.3 | Low | 94 Ų | 94 | 122.9 Ų | 122.9 | 49% | 0.492 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.9 | -40.5 | 174.7 | -82 | 160.2 | 0 | 0 | 0 | 112 | V7 L8 L14 L15 | V7-L11 HydrophobicContact CG1-CD1 3.98Å; V7-L11 WeakPolarHBondContact O-CB 3.36Å; V7-L11 WeakPolarHBondContact O-CG 3.06Å; V7-L11 PolarHBondContact O-N 2.84Å; L8-L11 PolarHBondContact O-N 3.43Å; L11-L14 PolarHBondContact O-N 2.04Å; L11-L15 WeakPolarHBondContact O-CB 3.16Å; L11-L15 WeakPolarHBondContact O-CD1 3.21Å; L11-L15 PolarHBondContact O-N 2.85Å |
| 12 | L | 70.8 | Confident | 63.8 | Low | 110 Ų | 110 | 121.5 Ų | 121.5 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.7 | -42.1 | 173.4 | -91 | 151.6 | 0 | 0 | 0 | 111.9 | L8 I9 L15 V16 | L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 PolarHBondContact O-N 2.84Å; I9-L12 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.48Å; L12-V16 WeakPolarHBondContact O-CB 3.09Å; L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.86Å |
| 13 | L | 67.5 | Low | 63.5 | Low | 90 Ų | 90 | 115 Ų | 115 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.1 | -39.5 | 174.2 | -84.4 | 158.3 | 0 | 0 | 0 | 111.7 | I9 L10 V16 L17 | I9-L13 HydrophobicContact CG2-CD1 3.74Å; I9-L13 VanDerWaalsContact O-CB 3.31Å; I9-L13 WeakPolarHBondContact O-CB 3.38Å; I9-L13 WeakPolarHBondContact O-CD1 2.97Å; I9-L13 WeakPolarHBondContact O-CG 3.27Å; I9-L13 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 2.71Å; L13-V16 PolarHBondContact O-N 2.93Å; L13-L17 VanDerWaalsContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.18Å; L13-L17 PolarHBondContact O-N 3.21Å |
| 14 | L | 64 | Low | 62.8 | Low | 111 Ų | 111 | 119.5 Ų | 119.5 | 58% | 0.581 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.3 | -39.5 | 173.7 | -84.7 | 156.5 | 0 | 0 | 0 | 111.8 | L10 L11 V18 | L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CD1 3.11Å; L10-L14 WeakPolarHBondContact O-CG 3.1Å; L10-L14 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 2.04Å; L14-V18 WeakPolarHBondContact O-CG2 3.35Å; L14-V18 PolarHBondContact O-N 3.25Å |
| 15 | L | 61.5 | Low | 62.1 | Low | 135 Ų | 135 | 115 Ų | 115 | 71% | 0.707 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.4 | -30.5 | 174.5 | -87.6 | 152.2 | 0 | 0 | 0 | 113.3 | L11 L12 | L11-L15 WeakPolarHBondContact O-CB 3.16Å; L11-L15 WeakPolarHBondContact O-CD1 3.21Å; L11-L15 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 3.48Å |
| 16 | V | 60.7 | Low | 61.1 | Low | 117 Ų | 117 | 114.3 Ų | 114.3 | 71% | 0.709 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -83.9 | -25.8 | 177.9 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | L12 L13 | L12-V16 WeakPolarHBondContact O-CB 3.09Å; L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.86Å; L13-V16 PolarHBondContact O-N 2.93Å |
| 17 | L | 56.7 | Low | 60.3 | Low | 130 Ų | 130 | 122 Ų | 122 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -89.3 | -5.9 | -179.6 | -79.7 | 162.3 | 0 | 0 | 0 | 114.6 | L13 P19 | L13-L17 VanDerWaalsContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.18Å; L13-L17 PolarHBondContact O-N 3.21Å; L17-P19 WeakPolarHBondContact O-CD 3.47Å |
| 18 | V | 57.8 | Low | 58.9 | Low | 107 Ų | 107 | 124 Ų | 124 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -72.5 | 108.8 | 166.7 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | L14 A20 | L14-V18 WeakPolarHBondContact O-CG2 3.35Å; L14-V18 PolarHBondContact O-N 3.25Å; V18-A20 PolarHBondContact O-N 3.13Å |
| 19 | P | 53.2 | Low | 57.9 | Low | 76 Ų | 76 | 129.6 Ų | 129.6 | 49% | 0.494 | 69% | 0.688 | S | S | . | * | trans | -63.2 | 128.5 | 175.2 | -10.2 | 27.2 | 0 | 0 | 0 | 106.9 | L17 W21 | L17-P19 WeakPolarHBondContact O-CD 3.47Å; P19-W21 HydrophobicContact CB-CD2 3.91Å; P19-W21 HydrophobicContact CB-CE3 4.38Å; P19-W21 HydrophobicContact CB-CG 3.94Å; P19-W21 PolarHBondContact O-N 2.6Å | ||
| 20 | A | 54.9 | Low | 56.8 | Low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | trans | -63.9 | 74.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V18 | V18-A20 PolarHBondContact O-N 3.13Š| ||
| 21 | W | 49.8 | Very low | 55.7 | Low | 221 Ų | 221 | 137.8 Ų | 137.8 | 84% | 0.837 | 72% | 0.715 | S | S | * | * | trans | -113.3 | 64.1 | 174.1 | -76.3 | -7.6 | 0 | 0 | 0 | 109.1 | P19 | P19-W21 HydrophobicContact CB-CD2 3.91Å; P19-W21 HydrophobicContact CB-CE3 4.38Å; P19-W21 HydrophobicContact CB-CG 3.94Å; P19-W21 PolarHBondContact O-N 2.6Å | ||
| 22 | L | 49.6 | Very low | 54.9 | Low | 181 Ų | 181 | 139.3 Ų | 139.3 | 95% | 0.948 | 73% | 0.729 | S | S | * | * | trans | -144.3 | 60.5 | 160.9 | -94.8 | 169.2 | 0 | 0 | 0 | 108.7 | ||||
| 23 | A | 50.5 | Low | 54.3 | Low | 85 Ų | 85 | 139.9 Ų | 139.9 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | trans | -155.1 | 40.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T25 | A23-T25 PolarHBondContact O-N 3.09Š| ||
| 24 | E | 46.5 | Very low | 54 | Low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -71.8 | 85.8 | 145.9 | -103.7 | 177 | 152.7 | 0 | 0 | 106.1 | A26 | E24-A26 PolarHBondContact O-N 3.23Š| ||
| 25 | T | 50.6 | Low | 54.2 | Low | 117 Ų | 117 | 147.3 Ų | 147.3 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -56.2 | 98.2 | 149.1 | 49.2 | 0 | 0 | 0 | 0 | 104.3 | A23 R27 | A23-T25 PolarHBondContact O-N 3.09Å; T25-R27 PolarHBondContact O-N 3.17Å | ||
| 26 | A | 49.4 | Very low | 55.1 | Low | 83 Ų | 83 | 151.8 Ų | 151.8 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -54.1 | 95.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 104 | E24 V28 | E24-A26 PolarHBondContact O-N 3.23Å; A26-V28 PolarHBondContact O-N 3.29Å | ||
| 27 | R | 53.8 | Low | 56.3 | Low | 233 Ų | 233 | 151.2 Ų | 151.2 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -61 | 88.7 | 156.5 | -79.4 | -165.1 | -89.3 | -162.2 | -5.7 | 102.3 | T25 R29 | T25-R27 PolarHBondContact O-N 3.17Å; R27-R29 PolarHBondContact O-N 2.92Å | ||
| 28 | V | 47.4 | Very low | 58 | Low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | -55.1 | 89.9 | 154.1 | 175 | 0 | 0 | 0 | 0 | 101.9 | A26 K30 | A26-V28 PolarHBondContact O-N 3.29Å; V28-K30 PolarHBondContact O-N 3.05Å | ||
| 29 | R | 51.8 | Low | 59.7 | Low | 225 Ų | 225 | 146.3 Ų | 146.3 | 85% | 0.849 | 74% | 0.744 | S | S | * | * | trans | -54.5 | 100.6 | 158.5 | -176.9 | 170.4 | -172.3 | 166.8 | 2.3 | 100.6 | R27 K31 | R27-R29 PolarHBondContact O-N 2.92Å; R29-K31 PolarHBondContact O-N 3.02Å | ||
| 30 | K | 51.4 | Low | 61.6 | Low | 186 Ų | 186 | 144 Ų | 144 | 81% | 0.809 | 73% | 0.728 | S | S | * | * | trans | -57.5 | 85.1 | 163.9 | -78.5 | -178.4 | 177.9 | 177.4 | 0 | 102.9 | V28 T32 | V28-K30 PolarHBondContact O-N 3.05Å; K30-T32 PolarHBondContact O-N 2.84Å | ||
| 31 | K | 49.3 | Very low | 63.5 | Low | 179 Ų | 179 | 141 Ų | 141 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | trans | -62.9 | 95.2 | 159.5 | -163.9 | 171.7 | -171.5 | 177.3 | 0 | 99 | R29 T33 | R29-K31 PolarHBondContact O-N 3.02Å; K31-T33 PolarHBondContact O-N 3.22Å; K31-T33 PolarHBondContact O-OG1 3.03Å | ||
| 32 | T | 55.7 | Low | 65.6 | Low | 126 Ų | 126 | 132.8 Ų | 132.8 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | trans | -46.3 | 102.2 | 166.5 | 10.7 | 0 | 0 | 0 | 0 | 103 | K30 R34 | K30-T32 PolarHBondContact O-N 2.84Å; T32-R34 PolarHBondContact O-N 2.89Å | ||
| 33 | T | 57.6 | Low | 67.5 | Low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | trans | -63.8 | 96.9 | 176.9 | -29.8 | 0 | 0 | 0 | 0 | 101.3 | K31 T35 | K31-T33 PolarHBondContact O-N 3.22Å; K31-T33 PolarHBondContact O-OG1 3.03Å; T33-T35 PolarHBondContact O-N 3Å | ||
| 34 | R | 61.6 | Low | 69.4 | Low | 232 Ų | 232 | 130.3 Ų | 130.3 | 88% | 0.875 | 64% | 0.642 | S | S | * | * | trans | -67.3 | 84.1 | 175.5 | -169.6 | 179 | -176.6 | 172.3 | 1.2 | 103.1 | T32 R36 | T32-R34 PolarHBondContact O-N 2.89Å; R34-R36 PolarHBondContact O-N 3.16Å | ||
| 35 | T | 68.8 | Low | 71.6 | Confident | 124 Ų | 124 | 124.6 Ų | 124.6 | 76% | 0.761 | 62% | 0.617 | S | S | * | * | trans | -54.2 | 108.8 | 173.8 | 17.2 | 0 | 0 | 0 | 0 | 104 | T33 | T33-T35 PolarHBondContact O-N 3Š| ||
| 36 | R | 80 | Confident | 73.6 | Confident | 229 Ų | 229 | 119.1 Ų | 119.1 | 86% | 0.864 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 129.8 | 179.6 | -75.3 | -176.4 | 178.4 | -174.8 | -0.8 | 106.3 | R34 C38 | R34-R36 PolarHBondContact O-N 3.16Å; R36-C38 PolarHBondContact O-N 3.22Å |
| 37 | P | 86.3 | Confident | 75.6 | Confident | 106 Ų | 106 | 120.1 Ų | 120.1 | 69% | 0.688 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 140.9 | 175.8 | 27 | -33.2 | 0 | 0 | 0 | 108.2 | L39 | P37-L39 PolarHBondContact O-N 2.75Š|
| 38 | C | 91.8 | Very high | 77.3 | Confident | 39 Ų | 39 | 115.1 Ų | 115.1 | 26% | 0.264 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 136.2 | 173.8 | -63.5 | 0 | 0 | 0 | 0 | 109 | R36 C156 H161 | R36-C38 PolarHBondContact O-N 3.22Å; C38-C156 HydrophobicContact CB-CB 3.96Å; C38-C156 WeakPolarHBondContact CB-SG 3.27Å; C38-C156 WeakPolarHBondContact SG-CB 3.32Å; C38-C156 CovalentContact SG-SG 2.02Å; C38-C156 PolarHBondContact SG-SG 3.29Å; C38-H161 VanDerWaalsContact CB-CE1 3.43Å; C38-H161 WeakPolarHBondContact CB-CE1 3.27Å; C38-H161 WeakPolarHBondContact CB-NE2 3.24Å; C38-H161 PolarHBondContact O-CD2 2.79Å; C38-H161 PolarHBondContact O-NE2 3.29Å |
| 39 | L | 93.4 | Very high | 79.4 | Confident | 94 Ų | 94 | 113 Ų | 113 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | B | Isolated β-bridge | trans | -93.4 | 153.6 | -179.7 | -60.3 | 177.3 | 0 | 0 | 0 | 109.5 | P37 G159 R160 H161 | P37-L39 PolarHBondContact O-N 2.75Å; L39-G159 PolarHBondContact N-O 3.31Å; L39-R160 CarbonylContact O-C 3.51Å; L39-R160 WeakPolarHBondContact O-CA 3.43Å; L39-H161 PolarHBondContact O-N 2.02Å |
| 40 | D | 93.3 | Very high | 81.2 | Confident | 27 Ų | 27 | 103.1 Ų | 103.1 | 14% | 0.144 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 159.3 | 170.5 | -71.5 | -41.3 | 0 | 0 | 0 | 111 | R114 R152 R160 H161 Y163 | D40-R114 IonicContact OD2-CZ 3.44Å; D40-R114 VanDerWaalsContact OD2-CZ 3.31Å; D40-R114 IonicContact OD2-NH1 3.78Å; D40-R114 PolarHBondContact OD2-NH1 2.86Å; D40-R114 IonicContact OD2-NH2 3.46Å; D40-R114 PolarHBondContact OD2-NH2 2.72Å; D40-R152 IonicContact OD1-CZ 3.23Å; D40-R152 IonicContact OD1-NE 3.05Å; D40-R152 PolarHBondContact OD1-NE 2.9Å; D40-R152 IonicContact OD1-NH2 2.7Å; D40-R152 PolarHBondContact OD1-NH2 3Å; D40-R152 IonicContact OD2-NH2 3.31Å; D40-R152 PolarHBondContact OD2-NH2 3.15Å; D40-R160 WeakPolarHBondContact O-CD 3.4Å; D40-R160 PolarHBondContact O-NH1 2.8Å; D40-H161 IonicContact OD1-CD2 3.12Å; D40-Y163 WeakPolarHBondContact CB-OH 3.47Å; D40-Y163 VanDerWaalsContact CG-OH 3.28Å; D40-Y163 PolarHBondContact OD1-OH 2.83Å |
| 41 | L | 93.9 | Very high | 82.9 | Confident | 39 Ų | 39 | 95.8 Ų | 95.8 | 20% | 0.204 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 153.1 | 167.2 | -100.7 | 70.6 | 0 | 0 | 0 | 109.7 | E43 I45 L46 M49 R160 H161 Y163 | L41-E43 PolarHBondContact O-N 3Å; L41-I45 HydrophobicContact CD2-CB 4.33Å; L41-I45 HydrophobicContact CD2-CG2 3.75Å; L41-L46 HydrophobicContact CB-CD1 4.32Å; L41-L46 HydrophobicContact CB-CD2 4.01Å; L41-L46 HydrophobicContact CB-CG 3.89Å; L41-M49 HydrophobicContact CD2-SD 4.32Å; L41-R160 HydrophobicContact CD1-CB 4.03Å; L41-H161 WeakPolarHBondContact CD1-O 3.24Å; L41-Y163 HydrophobicContact CB-CE2 4.26Å; L41-Y163 HydrophobicContact CD1-CD2 4.1Å; L41-Y163 HydrophobicContact CD1-CE2 3.97Å |
| 42 | P | 93.9 | Very high | 84.7 | Confident | 49 Ų | 49 | 96.6 Ų | 96.6 | 32% | 0.318 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 138.2 | 166.3 | -23.6 | 32.7 | 0 | 0 | 0 | 110.7 | E44 I45 L46 | P42-E44 WeakPolarHBondContact CB-OE2 3.37Å; P42-E44 PolarHBondContact O-N 2.85Å; P42-I45 HydrophobicContact CB-CD1 4.27Å; P42-I45 HydrophobicContact CB-CG1 4.23Å; P42-I45 HydrophobicContact CG-CD1 3.94Å; P42-I45 HydrophobicContact CG-CG1 4.45Å; P42-I45 PolarHBondContact O-N 3.43Å; P42-I45 VanDerWaalsContact O-N 3.09Å; P42-L46 PolarHBondContact O-N 3.28Å |
| 43 | E | 90.5 | Very high | 86 | Confident | 81 Ų | 81 | 93.1 Ų | 93.1 | 38% | 0.379 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | -172.9 | -163.6 | 77.8 | 174.6 | 0 | 0 | 109.9 | L41 I45 L46 E47 Y112 | L41-E43 PolarHBondContact O-N 3Å; E43-I45 PolarHBondContact O-N 2.86Å; E43-L46 CarbonylContact O-C 3.6Å; E43-L46 WeakPolarHBondContact O-CA 3.28Å; E43-L46 WeakPolarHBondContact O-CB 3.06Å; E43-L46 PolarHBondContact O-N 2.81Å; E43-E47 HydrophobicContact CG-CG 4.24Å; E43-E47 WeakPolarHBondContact O-CG 3.24Å; E43-E47 PolarHBondContact O-N 3.41Å; E43-Y112 HydrophobicContact CG-CE2 4.24Å; E43-Y112 VanDerWaalsContact OE1-CE2 3.22Å; E43-Y112 WeakPolarHBondContact OE1-CE2 3.41Å |
| 44 | E | 91.3 | Very high | 86.7 | Confident | 132 Ų | 132 | 87.7 Ų | 87.7 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.2 | -37.6 | -179.3 | -56.7 | 77.4 | -168.5 | 0 | 0 | 112.4 | P42 Q48 | P42-E44 WeakPolarHBondContact CB-OE2 3.37Å; P42-E44 PolarHBondContact O-N 2.85Å; E44-Q48 WeakPolarHBondContact O-CB 3.31Å; E44-Q48 PolarHBondContact O-N 2.97Å |
| 45 | I | 92.4 | Very high | 86.7 | Confident | 75 Ų | 75 | 82.6 Ų | 82.6 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73 | -39.8 | 178.3 | -56.8 | -178.5 | 0 | 0 | 0 | 110.1 | L41 P42 E43 Q48 M49 | L41-I45 HydrophobicContact CD2-CB 4.33Å; L41-I45 HydrophobicContact CD2-CG2 3.75Å; P42-I45 HydrophobicContact CB-CD1 4.27Å; P42-I45 HydrophobicContact CB-CG1 4.23Å; P42-I45 HydrophobicContact CG-CD1 3.94Å; P42-I45 HydrophobicContact CG-CG1 4.45Å; P42-I45 PolarHBondContact O-N 3.43Å; P42-I45 VanDerWaalsContact O-N 3.09Å; E43-I45 PolarHBondContact O-N 2.86Å; I45-Q48 PolarHBondContact O-N 3.42Å; I45-M49 HydrophobicContact CG2-CG 4.47Å; I45-M49 HydrophobicContact CG2-SD 4.3Å; I45-M49 WeakPolarHBondContact O-CB 2.93Å; I45-M49 VanDerWaalsContact O-CG 3.3Å; I45-M49 WeakPolarHBondContact O-CG 2.97Å; I45-M49 PolarHBondContact O-N 2.91Å |
| 46 | L | 92.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 175.5 | -66.5 | 172.5 | 0 | 0 | 0 | 111.2 | L41 P42 E43 Q48 M49 F50 Y112 L150 Y163 | L41-L46 HydrophobicContact CB-CD1 4.32Å; L41-L46 HydrophobicContact CB-CD2 4.01Å; L41-L46 HydrophobicContact CB-CG 3.89Å; P42-L46 PolarHBondContact O-N 3.28Å; E43-L46 CarbonylContact O-C 3.6Å; E43-L46 WeakPolarHBondContact O-CA 3.28Å; E43-L46 WeakPolarHBondContact O-CB 3.06Å; E43-L46 PolarHBondContact O-N 2.81Å; L46-Q48 VanDerWaalsContact C-N 3.32Å; L46-Q48 PolarHBondContact O-N 2.94Å; L46-M49 PolarHBondContact O-N 2.94Å; L46-F50 WeakPolarHBondContact O-CB 3.44Å; L46-F50 PolarHBondContact O-N 3.44Å; L46-Y112 HydrophobicContact CB-CD1 4.07Å; L46-Y112 HydrophobicContact CB-CD2 3.55Å; L46-Y112 HydrophobicContact CB-CE1 4.29Å; L46-Y112 HydrophobicContact CB-CE2 3.75Å; L46-Y112 HydrophobicContact CB-CG 3.73Å; L46-Y112 HydrophobicContact CD1-CD2 3.79Å; L46-Y112 HydrophobicContact CD1-CG 4.24Å; L46-Y112 HydrophobicContact CG-CD2 4.26Å; L46-Y112 HydrophobicContact CG-CG 4.43Å; L46-L150 HydrophobicContact CD2-CD1 4.09Å; L46-Y163 HydrophobicContact CD2-CD1 4.08Å; L46-Y163 HydrophobicContact CD2-CD2 3.87Å; L46-Y163 HydrophobicContact CD2-CE1 4Å; L46-Y163 HydrophobicContact CD2-CE2 3.82Å; L46-Y163 HydrophobicContact CD2-CG 4Å |
| 47 | E | 90.6 | Very high | 85 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176 | -35 | -150.3 | 122.1 | 0 | 0 | 110.7 | E43 F50 G51 Y112 | E43-E47 HydrophobicContact CG-CG 4.24Å; E43-E47 WeakPolarHBondContact O-CG 3.24Å; E43-E47 PolarHBondContact O-N 3.41Å; E47-F50 PolarHBondContact O-N 3.25Å; E47-G51 WeakPolarHBondContact O-CA 3.48Å; E47-G51 PolarHBondContact O-N 3.49Å; E47-Y112 WeakPolarHBondContact CA-OH 3.44Å; E47-Y112 WeakPolarHBondContact CB-OH 3.38Å; E47-Y112 HydrophobicContact CG-CE2 4.47Å; E47-Y112 WeakPolarHBondContact CG-OH 3.42Å; E47-Y112 PolarHBondContact OE1-OH 3.49Å |
| 48 | Q | 90.6 | Very high | 83.4 | Confident | 127 Ų | 127 | 69.3 Ų | 69.3 | 59% | 0.593 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 177.3 | -173.9 | -178.6 | -7.7 | 0 | 0 | 111.9 | E44 I45 L46 R52 | E44-Q48 WeakPolarHBondContact O-CB 3.31Å; E44-Q48 PolarHBondContact O-N 2.97Å; I45-Q48 PolarHBondContact O-N 3.42Å; L46-Q48 VanDerWaalsContact C-N 3.32Å; L46-Q48 PolarHBondContact O-N 2.94Å; Q48-R52 WeakPolarHBondContact O-CG 3.26Å; Q48-R52 PolarHBondContact O-N 2.83Å |
| 49 | M | 91.3 | Very high | 81.5 | Confident | 73 Ų | 73 | 72.3 Ų | 72.3 | 36% | 0.36 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 175.3 | -74.7 | 177.1 | 71.6 | 0 | 0 | 110.6 | L41 I45 L46 R52 L53 L150 | L41-M49 HydrophobicContact CD2-SD 4.32Å; I45-M49 HydrophobicContact CG2-CG 4.47Å; I45-M49 HydrophobicContact CG2-SD 4.3Å; I45-M49 WeakPolarHBondContact O-CB 2.93Å; I45-M49 VanDerWaalsContact O-CG 3.3Å; I45-M49 WeakPolarHBondContact O-CG 2.97Å; I45-M49 PolarHBondContact O-N 2.91Å; L46-M49 PolarHBondContact O-N 2.94Å; M49-R52 PolarHBondContact O-N 2.83Å; M49-L53 WeakPolarHBondContact O-CG 3.24Å; M49-L150 HydrophobicContact CB-CD1 3.61Å; M49-L150 HydrophobicContact CB-CD2 4.45Å; M49-L150 HydrophobicContact CE-CD1 4.49Å; M49-L150 HydrophobicContact CE-CD2 4.28Å |
| 50 | F | 89.8 | Confident | 79.4 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | -179.9 | 177.3 | -104.5 | 0 | 0 | 0 | 112.5 | L46 E47 R52 L53 S54 M58 Y112 P113 V148 L150 | L46-F50 WeakPolarHBondContact O-CB 3.44Å; L46-F50 PolarHBondContact O-N 3.44Å; E47-F50 PolarHBondContact O-N 3.25Å; F50-R52 VanDerWaalsContact C-N 3.28Å; F50-R52 PolarHBondContact O-N 3.31Å; F50-L53 PolarHBondContact O-N 2.81Å; F50-S54 VanDerWaalsContact O-CB 3.26Å; F50-S54 WeakPolarHBondContact O-CB 3.39Å; F50-S54 PolarHBondContact O-N 2.89Å; F50-S54 PolarHBondContact O-OG 3.22Å; F50-M58 HydrophobicContact CE1-CG 3.58Å; F50-M58 HydrophobicContact CE1-SD 3.79Å; F50-M58 HydrophobicContact CZ-CE 4.04Å; F50-M58 HydrophobicContact CZ-CG 3.61Å; F50-M58 HydrophobicContact CZ-SD 3.56Å; F50-M58 VanDerWaalsContact CZ-SD 3.56Å; F50-Y112 HydrophobicContact CB-CD1 3.78Å; F50-Y112 HydrophobicContact CB-CE1 3.5Å; F50-Y112 AromaticContact CD1-CE1 4Å; F50-Y112 HydrophobicContact CD1-CE1 4Å; F50-Y112 HydrophobicContact CD2-CD1 4.38Å; F50-Y112 HydrophobicContact CD2-CE1 4.46Å; F50-Y112 HydrophobicContact CG-CD1 4.05Å; F50-Y112 AromaticContact CG-CE1 3.75Å; F50-Y112 HydrophobicContact CG-CE1 3.75Å; F50-P113 HydrophobicContact CE2-CG 4.39Å; F50-P113 HydrophobicContact CZ-CG 4.23Å; F50-V148 HydrophobicContact CD2-CG1 4.39Å; F50-V148 HydrophobicContact CE2-CG1 4.04Å; F50-V148 WeakPolarHBondContact CE2-O 3.48Å; F50-L150 HydrophobicContact CB-CD1 4.12Å |
| 51 | G | 86.4 | Confident | 77.5 | Confident | 33 Ų | 33 | 71 Ų | 71 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E47 L53 S54 V55 | E47-G51 WeakPolarHBondContact O-CA 3.48Å; E47-G51 PolarHBondContact O-N 3.49Å; G51-L53 VanDerWaalsContact C-N 3.32Å; G51-L53 PolarHBondContact O-N 2.83Å; G51-S54 WeakPolarHBondContact CA-OG 3.42Å; G51-S54 PolarHBondContact O-N 3.43Å; G51-V55 WeakPolarHBondContact O-CG2 3.41Å; G51-V55 PolarHBondContact O-N 2.04Å |
| 52 | R | 86.3 | Confident | 75.7 | Confident | 195 Ų | 195 | 74.7 Ų | 74.7 | 74% | 0.736 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.1 | -32.6 | 175.1 | -67.8 | 175.5 | 90.1 | 167.5 | 7.4 | 113.2 | Q48 M49 F50 | Q48-R52 WeakPolarHBondContact O-CG 3.26Å; Q48-R52 PolarHBondContact O-N 2.83Å; M49-R52 PolarHBondContact O-N 2.83Å; F50-R52 VanDerWaalsContact C-N 3.28Å; F50-R52 PolarHBondContact O-N 3.31Å |
| 53 | L | 83.3 | Confident | 74 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 28% | 0.283 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -85.8 | -25 | -178.8 | -58.8 | 175.9 | 0 | 0 | 0 | 112.9 | M49 F50 G51 V148 L150 E165 | M49-L53 WeakPolarHBondContact O-CG 3.24Å; F50-L53 PolarHBondContact O-N 2.81Å; G51-L53 VanDerWaalsContact C-N 3.32Å; G51-L53 PolarHBondContact O-N 2.83Å; L53-V148 HydrophobicContact CB-CB 4.45Å; L53-V148 HydrophobicContact CB-CG1 3.86Å; L53-V148 HydrophobicContact CB-CG2 3.96Å; L53-V148 HydrophobicContact CD1-CG2 3.9Å; L53-L150 HydrophobicContact CD1-CD2 3.73Å; L53-E165 HydrophobicContact CD1-CB 3.7Å; L53-E165 WeakPolarHBondContact CD1-OE2 3.34Å; L53-E165 WeakPolarHBondContact CD2-OE2 3.19Å |
| 54 | S | 72.7 | Confident | 72.3 | Confident | 8 Ų | 8 | 75.1 Ų | 75.1 | 6% | 0.056 | 42% | 0.415 | C | S | . | . | trans | -101.5 | 6.3 | -170.9 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | F50 G51 G56 V57 M58 | F50-S54 VanDerWaalsContact O-CB 3.26Å; F50-S54 WeakPolarHBondContact O-CB 3.39Å; F50-S54 PolarHBondContact O-N 2.89Å; F50-S54 PolarHBondContact O-OG 3.22Å; G51-S54 WeakPolarHBondContact CA-OG 3.42Å; G51-S54 PolarHBondContact O-N 3.43Å; S54-G56 PolarHBondContact O-N 3.44Å; S54-V57 PolarHBondContact O-N 3.5Å; S54-M58 PolarHBondContact O-N 2.75Å | ||
| 55 | V | 62.3 | Low | 70.6 | Confident | 126 Ų | 126 | 73.3 Ų | 73.3 | 76% | 0.764 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 108.8 | 174.1 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | G51 | G51-V55 WeakPolarHBondContact O-CG2 3.41Å; G51-V55 PolarHBondContact O-N 2.04Å |
| 56 | G | 56.3 | Low | 68.9 | Low | 79 Ų | 79 | 75.9 Ų | 75.9 | 81% | 0.814 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.1 | -15.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | S54 | S54-G56 PolarHBondContact O-N 3.44Š|
| 57 | V | 56.6 | Low | 67.1 | Low | 64 Ų | 64 | 79.9 Ų | 79.9 | 39% | 0.388 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -19.8 | -175 | -171.4 | 0 | 0 | 0 | 0 | 113 | S54 F61 | S54-V57 PolarHBondContact O-N 3.5Å; V57-F61 HydrophobicContact CG1-CE2 4.25Å; V57-F61 WeakPolarHBondContact O-CD2 3.47Å |
| 58 | M | 52.7 | Low | 65 | Low | 36 Ų | 36 | 82.7 Ų | 82.7 | 18% | 0.177 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 10.6 | -172.9 | -77.5 | -68 | 125.3 | 0 | 0 | 117.1 | F50 S54 F61 H62 | F50-M58 HydrophobicContact CE1-CG 3.58Å; F50-M58 HydrophobicContact CE1-SD 3.79Å; F50-M58 HydrophobicContact CZ-CE 4.04Å; F50-M58 HydrophobicContact CZ-CG 3.61Å; F50-M58 HydrophobicContact CZ-SD 3.56Å; F50-M58 VanDerWaalsContact CZ-SD 3.56Å; S54-M58 PolarHBondContact O-N 2.75Å; M58-F61 HydrophobicContact CE-CB 4.44Å; M58-F61 HydrophobicContact CE-CD2 3.13Å; M58-F61 HydrophobicContact CE-CE2 3.45Å; M58-F61 VanDerWaalsContact CE-CE2 3.45Å; M58-F61 HydrophobicContact CE-CG 3.96Å; M58-F61 HydrophobicContact CE-CZ 4.48Å; M58-F61 HydrophobicContact SD-CB 4.19Å; M58-F61 HydrophobicContact SD-CD2 3.87Å; M58-F61 HydrophobicContact SD-CG 4.35Å; M58-H62 PolarHBondContact O-ND1 3.11Å |
| 59 | S | 50.9 | Low | 62.9 | Low | 102 Ų | 102 | 81.5 Ų | 81.5 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -78.6 | -29 | 166 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | F61 | S59-F61 PolarHBondContact O-N 2.83Å |
| 60 | A | 49.8 | Very low | 61.1 | Low | 75 Ų | 75 | 85.7 Ų | 85.7 | 62% | 0.62 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -74 | -27.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 61 | F | 53.7 | Low | 59 | Low | 19 Ų | 19 | 91.5 Ų | 91.5 | 8% | 0.083 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -91.9 | -20.3 | -172.8 | -66.6 | -81.4 | 0 | 0 | 0 | 114.4 | V57 M58 S59 H63 A64 L65 P117 V170 V172 | V57-F61 HydrophobicContact CG1-CE2 4.25Å; V57-F61 WeakPolarHBondContact O-CD2 3.47Å; M58-F61 HydrophobicContact CE-CB 4.44Å; M58-F61 HydrophobicContact CE-CD2 3.13Å; M58-F61 HydrophobicContact CE-CE2 3.45Å; M58-F61 VanDerWaalsContact CE-CE2 3.45Å; M58-F61 HydrophobicContact CE-CG 3.96Å; M58-F61 HydrophobicContact CE-CZ 4.48Å; M58-F61 HydrophobicContact SD-CB 4.19Å; M58-F61 HydrophobicContact SD-CD2 3.87Å; M58-F61 HydrophobicContact SD-CG 4.35Å; S59-F61 PolarHBondContact O-N 2.83Å; F61-H63 PolarHBondContact O-N 3.44Å; F61-A64 PolarHBondContact O-N 2.83Å; F61-L65 WeakPolarHBondContact O-CG 3.3Å; F61-L65 PolarHBondContact O-N 3.46Å; F61-P117 HydrophobicContact CD1-CG 3.87Å; F61-V170 HydrophobicContact CE1-CG1 4.34Å; F61-V172 HydrophobicContact CE1-CG1 4.11Å; F61-V172 HydrophobicContact CZ-CG1 3.79Å |
| 62 | H | 56.3 | Low | 57.1 | Low | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.1 | -40.4 | 176.9 | -87.3 | 81.4 | 0 | 0 | 0 | 111.4 | M58 A64 L65 Q66 | M58-H62 PolarHBondContact O-ND1 3.11Å; H62-A64 PolarHBondContact O-N 2.99Å; H62-L65 PolarHBondContact O-N 3.18Å; H62-Q66 WeakPolarHBondContact O-CB 3.42Å; H62-Q66 WeakPolarHBondContact O-CG 3.27Å; H62-Q66 PolarHBondContact O-N 3.01Å |
| 63 | H | 57 | Low | 55.7 | Low | 130 Ų | 130 | 93.6 Ų | 93.6 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.6 | -32.9 | 176.2 | -68.6 | -58.8 | 0 | 0 | 0 | 113.5 | F61 Q66 L67 | F61-H63 PolarHBondContact O-N 3.44Å; H63-Q66 PolarHBondContact ND1-OE1 3.5Å; H63-Q66 PolarHBondContact O-N 3.19Å; H63-L67 WeakPolarHBondContact O-CG 3.41Å; H63-L67 PolarHBondContact O-N 3.06Å |
| 64 | A | 56.6 | Low | 54.6 | Low | 9 Ų | 9 | 98.6 Ų | 98.6 | 7% | 0.074 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -73.7 | -32.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F61 H62 L67 P117 | F61-A64 PolarHBondContact O-N 2.83Å; H62-A64 PolarHBondContact O-N 2.99Å; A64-L67 WeakPolarHBondContact O-CB 3.34Å; A64-L67 PolarHBondContact O-N 3.41Å; A64-P117 HydrophobicContact CB-CB 4.27Å; A64-P117 HydrophobicContact CB-CG 3.99Å |
| 65 | L | 55.7 | Low | 54.7 | Low | 94 Ų | 94 | 100.6 Ų | 100.6 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -78.1 | -23.9 | 173.9 | -67.6 | 172.4 | 0 | 0 | 0 | 112.8 | F61 H62 L67 P117 | F61-L65 WeakPolarHBondContact O-CG 3.3Å; F61-L65 PolarHBondContact O-N 3.46Å; H62-L65 PolarHBondContact O-N 3.18Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-P117 HydrophobicContact CD2-CG 4.14Å; L65-P117 HydrophobicContact CG-CG 4.38Å |
| 66 | Q | 55.2 | Low | 55.7 | Low | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -79.4 | -10.8 | 169.9 | -76.2 | 170.4 | 1.6 | 0 | 0 | 113.4 | H62 H63 E68 | H62-Q66 WeakPolarHBondContact O-CB 3.42Å; H62-Q66 WeakPolarHBondContact O-CG 3.27Å; H62-Q66 PolarHBondContact O-N 3.01Å; H63-Q66 PolarHBondContact ND1-OE1 3.5Å; H63-Q66 PolarHBondContact O-N 3.19Å; Q66-E68 PolarHBondContact O-N 3.31Å |
| 67 | L | 54.5 | Low | 57.1 | Low | 85 Ų | 85 | 97.8 Ų | 97.8 | 45% | 0.445 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -64 | 100.8 | 164.1 | -57.9 | 174.6 | 0 | 0 | 0 | 104.7 | H63 A64 L65 Y103 | H63-L67 WeakPolarHBondContact O-CG 3.41Å; H63-L67 PolarHBondContact O-N 3.06Å; A64-L67 WeakPolarHBondContact O-CB 3.34Å; A64-L67 PolarHBondContact O-N 3.41Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L67-Y103 HydrophobicContact CD1-CD2 3.65Å; L67-Y103 HydrophobicContact CD1-CE2 3.97Å |
| 68 | E | 47.3 | Very low | 58.4 | Low | 164 Ų | 164 | 97.3 Ų | 97.3 | 77% | 0.766 | 51% | 0.513 | S | S | * | . | trans | -39.7 | 147.3 | 166.9 | -78 | -170.8 | 132.5 | 0 | 0 | 108.7 | Q66 R70 | Q66-E68 PolarHBondContact O-N 3.31Å; E68-R70 PolarHBondContact O-N 2.99Å | ||
| 69 | P | 47.3 | Very low | 59.1 | Low | 102 Ų | 102 | 101.4 Ų | 101.4 | 66% | 0.662 | 54% | 0.54 | S | S | * | . | trans | -57.8 | 92.7 | 173.7 | -12.4 | 24.4 | 0 | 0 | 0 | 108.2 | D71 | P69-D71 HydrophobicContact CB-CB 4.24Å; P69-D71 VanDerWaalsContact CB-CG 3.45Å; P69-D71 WeakPolarHBondContact CB-OD2 3.08Å; P69-D71 PolarHBondContact O-N 2.92Å | ||
| 70 | R | 51.6 | Low | 59.6 | Low | 161 Ų | 161 | 98.2 Ų | 98.2 | 61% | 0.608 | 52% | 0.519 | S | S | * | . | trans | -75 | 49.7 | 161.7 | -104.8 | -164.6 | 167 | -177.2 | -0 | 107.5 | E68 K72 L73 | E68-R70 PolarHBondContact O-N 2.99Å; R70-K72 PolarHBondContact O-N 2.88Å; R70-L73 HydrophobicContact CG-CD1 4.24Å; R70-L73 PolarHBondContact O-N 2.94Å | ||
| 71 | D | 45.9 | Very low | 59.8 | Low | 140 Ų | 140 | 100.1 Ų | 100.1 | 75% | 0.749 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 8.9 | 171.3 | -73.6 | -18.6 | 0 | 0 | 0 | 111.8 | P69 | P69-D71 HydrophobicContact CB-CB 4.24Å; P69-D71 VanDerWaalsContact CB-CG 3.45Å; P69-D71 WeakPolarHBondContact CB-OD2 3.08Å; P69-D71 PolarHBondContact O-N 2.92Å |
| 72 | K | 47 | Very low | 59.9 | Low | 195 Ų | 195 | 104 Ų | 104 | 85% | 0.848 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.3 | 15.6 | -175.8 | -62.9 | -167.1 | -178.6 | -176.1 | 0 | 115.2 | R70 | R70-K72 PolarHBondContact O-N 2.88Š|
| 73 | L | 57.9 | Low | 59.8 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 41% | 0.408 | 55% | 0.546 | S | S | . | . | trans | -98.4 | 118.3 | 153.3 | -91.1 | 77.4 | 0 | 0 | 0 | 106.9 | R70 L75 | R70-L73 HydrophobicContact CG-CD1 4.24Å; R70-L73 PolarHBondContact O-N 2.94Å; L73-L75 HydrophobicContact CB-CD1 4.44Å; L73-L75 HydrophobicContact CB-CD2 3.82Å; L73-L75 HydrophobicContact CB-CG 3.7Å; L73-L75 HydrophobicContact CD2-CD2 3.97Å; L73-L75 PolarHBondContact O-N 3.33Å | ||
| 74 | N | 59.7 | Low | 59.5 | Low | 159 Ų | 159 | 101.1 Ų | 101.1 | 85% | 0.85 | 56% | 0.556 | S | S | * | * | trans | -63.3 | 79.9 | 160.1 | -68.6 | -30.2 | 0 | 0 | 0 | 106.6 | T76 | N74-T76 VanDerWaalsContact C-N 3.29Å; N74-T76 PolarHBondContact O-N 2.87Å; N74-T76 PolarHBondContact O-OG1 3.23Å | ||
| 75 | L | 74.7 | Confident | 59.3 | Low | 50 Ų | 50 | 104.1 Ų | 104.1 | 26% | 0.262 | 58% | 0.58 | S | S | . | * | trans | -73.8 | 90.5 | -177.2 | -70.8 | 164.5 | 0 | 0 | 0 | 106.8 | L73 L95 A102 L122 | L73-L75 HydrophobicContact CB-CD1 4.44Å; L73-L75 HydrophobicContact CB-CD2 3.82Å; L73-L75 HydrophobicContact CB-CG 3.7Å; L73-L75 HydrophobicContact CD2-CD2 3.97Å; L73-L75 PolarHBondContact O-N 3.33Å; L75-L95 HydrophobicContact CD2-CD2 4.44Å; L75-A102 HydrophobicContact CB-CB 4.46Å; L75-A102 HydrophobicContact CD1-CB 3.69Å; L75-L122 HydrophobicContact CB-CD1 4.26Å; L75-L122 HydrophobicContact CB-CD2 3.97Å; L75-L122 WeakPolarHBondContact O-CD2 2.88Å | ||
| 76 | T | 82.3 | Confident | 59.2 | Low | 111 Ų | 111 | 102.9 Ų | 102.9 | 68% | 0.681 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 165.1 | 171 | -4 | 0 | 0 | 0 | 0 | 109.7 | N74 P78 | N74-T76 VanDerWaalsContact C-N 3.29Å; N74-T76 PolarHBondContact O-N 2.87Å; N74-T76 PolarHBondContact O-OG1 3.23Å; T76-P78 WeakPolarHBondContact O-CD 3.41Å; T76-P78 VanDerWaalsContact O-N 3.13Å |
| 77 | C | 86.9 | Confident | 59.1 | Low | 34 Ų | 34 | 102.7 Ų | 102.7 | 23% | 0.23 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -51.5 | 121 | 170.7 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | T79 L122 C123 | C77-T79 PolarHBondContact O-N 3.18Å; C77-L122 WeakPolarHBondContact CB-O 3.4Å; C77-L122 PolarHBondContact N-O 2.7Å; C77-C123 VanDerWaalsContact CA-SG 3.51Å; C77-C123 HydrophobicContact CB-CB 4.05Å; C77-C123 WeakPolarHBondContact CB-SG 3.43Å; C77-C123 WeakPolarHBondContact SG-CB 3.03Å; C77-C123 CovalentContact SG-SG 2.04Å; C77-C123 PolarHBondContact SG-SG 2.91Å |
| 78 | P | 82.4 | Confident | 59.1 | Low | 55 Ų | 55 | 108 Ų | 108 | 36% | 0.357 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 127.6 | 179.7 | -23.2 | 32.9 | 0 | 0 | 0 | 110.2 | T76 P100 L127 | T76-P78 WeakPolarHBondContact O-CD 3.41Å; T76-P78 VanDerWaalsContact O-N 3.13Å; P78-P100 HydrophobicContact CG-CG 4.21Å; P78-L127 HydrophobicContact CB-CD1 4.44Å; P78-L127 HydrophobicContact CG-CD1 4.5Å |
| 79 | T | 69.2 | Low | 59.9 | Low | 121 Ų | 121 | 104.6 Ų | 104.6 | 74% | 0.742 | 59% | 0.592 | S | S | * | * | trans | -91.4 | 105.7 | 172.1 | -54.9 | 0 | 0 | 0 | 0 | 107.5 | C77 T81 | C77-T79 PolarHBondContact O-N 3.18Å; T79-T81 PolarHBondContact O-N 3.24Å | ||
| 80 | A | 60.5 | Low | 61.1 | Low | 35 Ų | 35 | 110.6 Ų | 110.6 | 29% | 0.289 | 60% | 0.602 | S | S | . | * | S | Bend | trans | 29.6 | 19 | 146.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | H131 | A80-H131 CarbonylContact C-O 3.54Å; A80-H131 VanDerWaalsContact CA-O 3.25Å; A80-H131 WeakPolarHBondContact CA-O 3.33Å; A80-H131 WeakPolarHBondContact CB-O 3.14Å |
| 81 | T | 54.5 | Low | 62.3 | Low | 116 Ų | 116 | 105 Ų | 105 | 71% | 0.712 | 58% | 0.584 | S | S | * | * | trans | -145.7 | 95.8 | 176.9 | -29.2 | 0 | 0 | 0 | 0 | 108.3 | T79 S83 | T79-T81 PolarHBondContact O-N 3.24Å; T81-S83 PolarHBondContact O-N 2.91Å; T81-S83 VanDerWaalsContact O-N 3.07Å | ||
| 82 | P | 56.4 | Low | 64 | Low | 101 Ų | 101 | 101.3 Ų | 101.3 | 66% | 0.656 | 57% | 0.567 | S | S | * | * | trans | -55.6 | 116.8 | 165.2 | -18.3 | 30.6 | 0 | 0 | 0 | 107.3 | ||||
| 83 | S | 53.7 | Low | 65.9 | Low | 62 Ų | 62 | 97.2 Ų | 97.2 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | trans | -65.6 | 150.9 | 171.1 | 76.9 | 0 | 0 | 0 | 0 | 108.6 | T81 A85 D86 | T81-S83 PolarHBondContact O-N 2.91Å; T81-S83 VanDerWaalsContact O-N 3.07Å; S83-A85 PolarHBondContact O-N 2.7Å; S83-D86 WeakPolarHBondContact O-CB 3.35Å; S83-D86 PolarHBondContact O-N 2.99Å | ||
| 84 | P | 51.2 | Low | 67.4 | Low | 123 Ų | 123 | 94.3 Ų | 94.3 | 80% | 0.799 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -17.4 | 175.2 | -23.2 | 32.2 | 0 | 0 | 0 | 114 | D86 T87 | P84-D86 VanDerWaalsContact C-N 3.31Å; P84-T87 PolarHBondContact O-OG1 3.47Å |
| 85 | A | 50.9 | Low | 68.6 | Low | 72 Ų | 72 | 88.6 Ų | 88.6 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S83 T87 | S83-A85 PolarHBondContact O-N 2.7Å; A85-T87 VanDerWaalsContact C-N 3.34Å |
| 86 | D | 53.9 | Low | 69.2 | Low | 67 Ų | 67 | 94 Ų | 94 | 36% | 0.358 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -17 | -176.4 | -137.4 | 11.9 | 0 | 0 | 0 | 112.5 | S83 P84 L91 | S83-D86 WeakPolarHBondContact O-CB 3.35Å; S83-D86 PolarHBondContact O-N 2.99Å; P84-D86 VanDerWaalsContact C-N 3.31Å; D86-L91 WeakPolarHBondContact OD1-CD1 3.37Å |
| 87 | T | 53.7 | Low | 69.6 | Low | 126 Ų | 126 | 90 Ų | 90 | 77% | 0.773 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.7 | -179.9 | -9.5 | 0 | 0 | 0 | 0 | 112.9 | P84 A85 | P84-T87 PolarHBondContact O-OG1 3.47Å; A85-T87 VanDerWaalsContact C-N 3.34Å |
| 88 | K | 54.4 | Low | 69.9 | Low | 195 Ų | 195 | 92.3 Ų | 92.3 | 85% | 0.848 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -89.3 | -14.8 | -176.5 | -163.2 | 164.9 | -175.7 | 168 | 0 | 113.6 | ||
| 89 | T | 63.2 | Low | 70.4 | Confident | 94 Ų | 94 | 89.9 Ų | 89.9 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -123.3 | 115.7 | -176.8 | -39.1 | 0 | 0 | 0 | 0 | 109.2 | L91 | T89-L91 PolarHBondContact O-N 2.6Š|
| 90 | R | 74.1 | Confident | 71.6 | Confident | 228 Ų | 228 | 84.1 Ų | 84.1 | 86% | 0.86 | 46% | 0.464 | S | S | * | . | trans | -65 | 96.3 | 177.3 | -171.3 | -178 | -174.3 | -144.2 | 3.1 | 109.1 | ||||
| 91 | L | 75.7 | Confident | 73.1 | Confident | 44 Ų | 44 | 83.7 Ų | 83.7 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | trans | -57.5 | 146.9 | 178.5 | -69 | -178.2 | 0 | 0 | 0 | 111.5 | D86 T89 L95 R96 | D86-L91 WeakPolarHBondContact OD1-CD1 3.37Å; T89-L91 PolarHBondContact O-N 2.6Å; L91-L95 HydrophobicContact CB-CB 4.44Å; L91-L95 HydrophobicContact CD1-CB 4.33Å; L91-L95 HydrophobicContact CD2-CD1 4.31Å; L91-R96 HydrophobicContact CB-CG 3.73Å; L91-R96 WeakPolarHBondContact O-CD 3.14Å | ||
| 92 | P | 82.8 | Confident | 74.9 | Confident | 62 Ų | 62 | 78.3 Ų | 78.3 | 40% | 0.403 | 42% | 0.422 | S | S | . | . | trans | -67.5 | 161 | 175.7 | 31.4 | -37.7 | 0 | 0 | 0 | 111.6 | N94 L95 R96 | P92-N94 WeakPolarHBondContact CB-OD1 3.46Å; P92-N94 WeakPolarHBondContact CG-OD1 3.28Å; P92-N94 PolarHBondContact O-N 3.02Å; P92-N94 VanDerWaalsContact O-N 3.17Å; P92-L95 HydrophobicContact CG-CD1 4.13Å; P92-L95 HydrophobicContact CG-CG 4.17Å; P92-L95 PolarHBondContact O-N 3.27Å; P92-L95 VanDerWaalsContact O-N 3.09Å; P92-R96 PolarHBondContact O-N 2.8Å | ||
| 93 | V | 86.2 | Confident | 76.4 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 66% | 0.655 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -55.9 | -36.2 | -174.4 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | L95 R96 S97 W101 | V93-L95 VanDerWaalsContact C-N 3.26Å; V93-L95 PolarHBondContact O-N 3.45Å; V93-R96 PolarHBondContact O-N 2.96Å; V93-S97 PolarHBondContact O-N 2.72Å; V93-W101 HydrophobicContact CG1-CH2 4.45Å; V93-W101 HydrophobicContact CG1-CZ2 4.33Å |
| 94 | N | 88.4 | Confident | 78.1 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 10% | 0.096 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.2 | -27.4 | -178.4 | 66.1 | -65.6 | 0 | 0 | 0 | 113.4 | P92 P100 W101 | P92-N94 WeakPolarHBondContact CB-OD1 3.46Å; P92-N94 WeakPolarHBondContact CG-OD1 3.28Å; P92-N94 PolarHBondContact O-N 3.02Å; P92-N94 VanDerWaalsContact O-N 3.17Å; N94-P100 WeakPolarHBondContact O-CA 3.29Å; N94-P100 WeakPolarHBondContact O-CB 3.5Å; N94-W101 HydrophobicContact CB-CD2 3.63Å; N94-W101 HydrophobicContact CB-CE3 4.28Å; N94-W101 HydrophobicContact CB-CG 3.99Å; N94-W101 HydrophobicContact CB-CH2 4.25Å; N94-W101 HydrophobicContact CB-CZ2 3.59Å; N94-W101 WeakPolarHBondContact CB-O 3.36Å; N94-W101 PolarHBondContact ND2-O 2.89Å; N94-W101 PolarHBondContact O-N 3.25Å |
| 95 | L | 86.3 | Confident | 79.9 | Confident | 39 Ų | 39 | 78.2 Ų | 78.2 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -93.9 | -20.3 | 176.7 | -60.7 | -177.2 | 0 | 0 | 0 | 112.9 | L75 L91 P92 V93 L122 | L75-L95 HydrophobicContact CD2-CD2 4.44Å; L91-L95 HydrophobicContact CB-CB 4.44Å; L91-L95 HydrophobicContact CD1-CB 4.33Å; L91-L95 HydrophobicContact CD2-CD1 4.31Å; P92-L95 HydrophobicContact CG-CD1 4.13Å; P92-L95 HydrophobicContact CG-CG 4.17Å; P92-L95 PolarHBondContact O-N 3.27Å; P92-L95 VanDerWaalsContact O-N 3.09Å; V93-L95 VanDerWaalsContact C-N 3.26Å; V93-L95 PolarHBondContact O-N 3.45Å; L95-L122 HydrophobicContact CD2-CD1 4.31Å |
| 96 | R | 86.1 | Confident | 81.8 | Confident | 164 Ų | 164 | 76.1 Ų | 76.1 | 62% | 0.619 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -89 | -11.7 | 176.7 | -67 | -179.6 | 61.8 | -161.9 | -2.3 | 114 | L91 P92 V93 | L91-R96 HydrophobicContact CB-CG 3.73Å; L91-R96 WeakPolarHBondContact O-CD 3.14Å; P92-R96 PolarHBondContact O-N 2.8Å; V93-R96 PolarHBondContact O-N 2.96Å |
| 97 | S | 90.8 | Very high | 83.6 | Confident | 26 Ų | 26 | 78.8 Ų | 78.8 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -63.9 | 146.2 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | V93 S99 P100 | V93-S97 PolarHBondContact O-N 2.72Å; S97-S99 PolarHBondContact O-N 2.87Å; S97-S99 PolarHBondContact OG-N 2.82Å; S97-S99 PolarHBondContact OG-O 3.26Å; S97-S99 PolarHBondContact OG-OG 3.03Å; S97-P100 WeakPolarHBondContact O-CD 3.26Å |
| 98 | I | 93 | Very high | 85.5 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 43% | 0.426 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -64.5 | -15.6 | 168 | 60.9 | 168 | 0 | 0 | 0 | 112.8 | C126 L127 V128 C176 | I98-C126 CarbonylContact O-C 3.57Å; I98-C126 WeakPolarHBondContact O-CA 3.44Å; I98-L127 PolarHBondContact O-N 3.44Å; I98-V128 HydrophobicContact CB-CG1 4.22Å; I98-V128 HydrophobicContact CD1-CG1 3.92Å; I98-V128 HydrophobicContact CG2-CG1 4.31Å; I98-C176 HydrophobicContact CD1-CB 3.66Å; I98-C176 HydrophobicContact CG1-CB 4.13Å |
| 99 | S | 94.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -125.6 | 74.1 | 173.3 | 49 | 0 | 0 | 0 | 0 | 107.7 | S97 S140 C174 T175 C176 | S97-S99 PolarHBondContact O-N 2.87Å; S97-S99 PolarHBondContact OG-N 2.82Å; S97-S99 PolarHBondContact OG-O 3.26Å; S97-S99 PolarHBondContact OG-OG 3.03Å; S99-S140 VanDerWaalsContact CB-OG 3.24Å; S99-S140 WeakPolarHBondContact CB-OG 3.4Å; S99-C174 WeakPolarHBondContact O-CB 3.22Å; S99-C174 PolarHBondContact OG-O 2.93Å; S99-T175 VanDerWaalsContact OG-CA 3.27Å; S99-T175 WeakPolarHBondContact OG-CA 3.49Å; S99-T175 PolarHBondContact OG-N 3.17Å; S99-C176 PolarHBondContact OG-N 2.83Å |
| 100 | P | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -68.1 | 148.7 | -169.4 | 27.9 | -34.5 | 0 | 0 | 0 | 111.8 | P78 N94 S97 L122 L127 | P78-P100 HydrophobicContact CG-CG 4.21Å; N94-P100 WeakPolarHBondContact O-CA 3.29Å; N94-P100 WeakPolarHBondContact O-CB 3.5Å; S97-P100 WeakPolarHBondContact O-CD 3.26Å; P100-L122 HydrophobicContact CB-CD1 4.27Å; P100-L122 HydrophobicContact CG-CB 4.35Å; P100-L122 PolarHBondContact O-N 2.94Å; P100-L127 HydrophobicContact CG-CD1 3.96Å | ||
| 101 | W | 93.3 | Very high | 89.9 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 157.7 | -179.8 | 70.1 | 93.3 | 0 | 0 | 0 | 112.4 | V93 N94 Y103 A119 Y120 C174 | V93-W101 HydrophobicContact CG1-CH2 4.45Å; V93-W101 HydrophobicContact CG1-CZ2 4.33Å; N94-W101 HydrophobicContact CB-CD2 3.63Å; N94-W101 HydrophobicContact CB-CE3 4.28Å; N94-W101 HydrophobicContact CB-CG 3.99Å; N94-W101 HydrophobicContact CB-CH2 4.25Å; N94-W101 HydrophobicContact CB-CZ2 3.59Å; N94-W101 WeakPolarHBondContact CB-O 3.36Å; N94-W101 PolarHBondContact ND2-O 2.89Å; N94-W101 PolarHBondContact O-N 3.25Å; W101-Y103 AromaticContact CD1-CE2 3.94Å; W101-Y103 AromaticContact CD1-CZ 3.77Å; W101-Y103 AromaticContact NE1-CE2 3.63Å; W101-Y103 AromaticContact NE1-CZ 3.31Å; W101-Y103 VanDerWaalsContact NE1-CZ 3.31Å; W101-Y103 PolarHBondContact NE1-OH 3.09Å; W101-A119 HydrophobicContact CG-CB 4.33Å; W101-Y120 VanDerWaalsContact CA-O 3.24Å; W101-Y120 WeakPolarHBondContact CA-O 3.19Å; W101-Y120 VanDerWaalsContact CB-O 3.27Å; W101-Y120 WeakPolarHBondContact CB-O 3.36Å; W101-C174 HydrophobicContact CB-CB 4.1Å; W101-C174 HydrophobicContact CE3-CB 4.16Å |
| 102 | A | 91 | Very high | 90.7 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 169.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L75 A119 Y120 L122 | L75-A102 HydrophobicContact CB-CB 4.46Å; L75-A102 HydrophobicContact CD1-CB 3.69Å; A102-A119 CarbonylContact O-C 3.58Å; A102-A119 WeakPolarHBondContact O-CA 3.16Å; A102-Y120 HydrophobicContact CB-CD1 4.49Å; A102-Y120 HydrophobicContact CB-CE1 3.75Å; A102-Y120 HydrophobicContact CB-CE2 4.11Å; A102-Y120 WeakPolarHBondContact CB-OH 3.43Å; A102-Y120 PolarHBondContact N-O 2.83Å; A102-Y120 VanDerWaalsContact O-CD1 3.27Å; A102-Y120 WeakPolarHBondContact O-CD1 3.47Å; A102-Y120 PolarHBondContact O-N 3.44Å; A102-L122 HydrophobicContact CB-CD2 3.74Å; A102-L122 HydrophobicContact CB-CG 4.48Å |
| 103 | Y | 89.4 | Confident | 91.2 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.7 | 178.6 | -65.7 | -80.5 | 0 | 0 | 0 | 109.9 | L67 W101 P117 E118 A119 V172 | L67-Y103 HydrophobicContact CD1-CD2 3.65Å; L67-Y103 HydrophobicContact CD1-CE2 3.97Å; W101-Y103 AromaticContact CD1-CE2 3.94Å; W101-Y103 AromaticContact CD1-CZ 3.77Å; W101-Y103 AromaticContact NE1-CE2 3.63Å; W101-Y103 AromaticContact NE1-CZ 3.31Å; W101-Y103 VanDerWaalsContact NE1-CZ 3.31Å; W101-Y103 PolarHBondContact NE1-OH 3.09Å; Y103-P117 HydrophobicContact CD1-CB 4.12Å; Y103-P117 HydrophobicContact CG-CB 4.47Å; Y103-E118 WeakPolarHBondContact CA-O 3.46Å; Y103-A119 HydrophobicContact CD1-CB 4.09Å; Y103-A119 HydrophobicContact CE1-CB 3.83Å; Y103-V172 PolarHBondContact OH-O 3.3Å |
| 104 | R | 89.5 | Confident | 91.5 | Very high | 123 Ų | 123 | 51.7 Ų | 51.7 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.5 | 163.2 | 63.1 | 175.2 | -176.7 | -97.4 | -7.8 | 108.4 | E118 Y120 | R104-E118 HydrophobicContact CG-CB 4.1Å; R104-E118 WeakPolarHBondContact CG-O 3.19Å; R104-E118 IonicContact CZ-OE2 3.39Å; R104-E118 PolarHBondContact N-O 2.96Å; R104-E118 IonicContact NE-OE2 3.22Å; R104-E118 PolarHBondContact NE-OE2 2.73Å; R104-E118 IonicContact NH2-OE2 2.75Å; R104-E118 PolarHBondContact NH2-OE2 3.47Å; R104-E118 PolarHBondContact O-N 2.77Å; R104-Y120 HydrophobicContact CB-CD1 4.15Å; R104-Y120 HydrophobicContact CB-CE1 4.11Å; R104-Y120 HydrophobicContact CG-CD1 4.19Å |
| 105 | I | 88.3 | Confident | 91.5 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.4 | 177.7 | -55.8 | -56.6 | 0 | 0 | 0 | 109.6 | Y115 P117 | I105-Y115 HydrophobicContact CG2-CD1 3.62Å; I105-Y115 HydrophobicContact CG2-CG 4.22Å; I105-P117 HydrophobicContact CD1-CB 3.92Å |
| 106 | S | 89.6 | Confident | 91.7 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 113.8 | 172 | -178.8 | 0 | 0 | 0 | 0 | 109 | R111 Y115 I116 E118 | S106-R111 VanDerWaalsContact C-NH2 3.34Å; S106-R111 PolarHBondContact O-NH2 2.95Å; S106-R111 PolarHBondContact OG-NH2 3.49Å; S106-Y115 WeakPolarHBondContact O-CA 3.44Å; S106-I116 WeakPolarHBondContact CB-O 3.1Å; S106-I116 PolarHBondContact N-O 2.74Å; S106-I116 PolarHBondContact O-N 2.84Å; S106-E118 VanDerWaalsContact CB-OE1 3.28Å; S106-E118 WeakPolarHBondContact CB-OE1 3.38Å; S106-E118 PolarHBondContact OG-OE1 2.97Å |
| 107 | Y | 92.5 | Very high | 91.9 | Very high | 124 Ų | 124 | 48 Ų | 48 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.2 | 176.1 | 174.9 | -103.1 | 0 | 0 | 0 | 111.3 | P109 R114 Y115 | Y107-P109 HydrophobicContact CE1-CB 4.28Å; Y107-P109 HydrophobicContact CE1-CG 4.29Å; Y107-R114 WeakPolarHBondContact CA-O 3Å; Y107-R114 HydrophobicContact CD2-CB 4.2Å; Y107-R114 HydrophobicContact CE2-CB 4.03Å; Y107-Y115 AromaticContact CD2-CD1 3.75Å; Y107-Y115 HydrophobicContact CD2-CD1 3.75Å; Y107-Y115 AromaticContact CD2-CE1 3.29Å; Y107-Y115 HydrophobicContact CD2-CE1 3.29Å; Y107-Y115 HydrophobicContact CD2-CE2 4.17Å; Y107-Y115 HydrophobicContact CD2-CG 4.38Å; Y107-Y115 AromaticContact CD2-CZ 3.53Å; Y107-Y115 AromaticContact CE2-CE1 3.97Å; Y107-Y115 HydrophobicContact CE2-CE1 3.97Å; Y107-Y115 HydrophobicContact CE2-CE2 4.24Å; Y107-Y115 AromaticContact CE2-CZ 3.7Å; Y107-Y115 HydrophobicContact CG-CD1 4.45Å; Y107-Y115 HydrophobicContact CG-CE1 4.08Å |
| 108 | D | 94.6 | Very high | 91.9 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | trans | -146.7 | 119.9 | 169.1 | 176 | -1.3 | 0 | 0 | 0 | 109.9 | N110 R111 R114 | D108-N110 PolarHBondContact O-N 2.93Å; D108-N110 WeakPolarHBondContact OD1-CB 3.36Å; D108-N110 PolarHBondContact OD1-N 3.35Å; D108-N110 PolarHBondContact OD1-ND2 2.69Å; D108-R111 HydrophobicContact CB-CG 3.88Å; D108-R111 IonicContact OD2-NH1 3.11Å; D108-R111 PolarHBondContact OD2-NH1 2.85Å; D108-R114 PolarHBondContact N-O 3.46Å | ||
| 109 | P | 93.6 | Very high | 92 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.8 | -177.9 | 29.2 | -34.8 | 0 | 0 | 0 | 113.3 | Y107 R114 | Y107-P109 HydrophobicContact CE1-CB 4.28Å; Y107-P109 HydrophobicContact CE1-CG 4.29Å; P109-R114 PolarHBondContact O-NH1 3.23Å |
| 110 | N | 94.7 | Very high | 91.9 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 13.1 | -175.4 | -56.2 | -59.2 | 0 | 0 | 0 | 113.2 | D108 R152 | D108-N110 PolarHBondContact O-N 2.93Å; D108-N110 WeakPolarHBondContact OD1-CB 3.36Å; D108-N110 PolarHBondContact OD1-N 3.35Å; D108-N110 PolarHBondContact OD1-ND2 2.69Å; N110-R152 HydrophobicContact CB-CB 4.26Å; N110-R152 WeakPolarHBondContact O-CB 3.24Å; N110-R152 PolarHBondContact O-N 2.92Å |
| 111 | R | 94.3 | Very high | 92 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 11% | 0.106 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 162.8 | 175.4 | 69.4 | 178.2 | -177.6 | -120.6 | 3 | 111.9 | S106 D108 R114 I149 L150 | S106-R111 VanDerWaalsContact C-NH2 3.34Å; S106-R111 PolarHBondContact O-NH2 2.95Å; S106-R111 PolarHBondContact OG-NH2 3.49Å; D108-R111 HydrophobicContact CB-CG 3.88Å; D108-R111 IonicContact OD2-NH1 3.11Å; D108-R111 PolarHBondContact OD2-NH1 2.85Å; R111-R114 VanDerWaalsContact O-CG 3.26Å; R111-R114 WeakPolarHBondContact O-CG 3.43Å; R111-I149 HydrophobicContact CB-CD1 4.06Å; R111-L150 CarbonylContact C-O 3.55Å; R111-L150 WeakPolarHBondContact CA-O 3.3Å |
| 112 | Y | 93.6 | Very high | 92 | Very high | 19 Ų | 19 | 50 Ų | 50 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132 | 167 | -179.4 | -77.9 | 0 | 0 | 0 | 109.6 | E43 L46 E47 F50 L150 | E43-Y112 HydrophobicContact CG-CE2 4.24Å; E43-Y112 VanDerWaalsContact OE1-CE2 3.22Å; E43-Y112 WeakPolarHBondContact OE1-CE2 3.41Å; L46-Y112 HydrophobicContact CB-CD1 4.07Å; L46-Y112 HydrophobicContact CB-CD2 3.55Å; L46-Y112 HydrophobicContact CB-CE1 4.29Å; L46-Y112 HydrophobicContact CB-CE2 3.75Å; L46-Y112 HydrophobicContact CB-CG 3.73Å; L46-Y112 HydrophobicContact CD1-CD2 3.79Å; L46-Y112 HydrophobicContact CD1-CG 4.24Å; L46-Y112 HydrophobicContact CG-CD2 4.26Å; L46-Y112 HydrophobicContact CG-CG 4.43Å; E47-Y112 WeakPolarHBondContact CA-OH 3.44Å; E47-Y112 WeakPolarHBondContact CB-OH 3.38Å; E47-Y112 HydrophobicContact CG-CE2 4.47Å; E47-Y112 WeakPolarHBondContact CG-OH 3.42Å; E47-Y112 PolarHBondContact OE1-OH 3.49Å; F50-Y112 HydrophobicContact CB-CD1 3.78Å; F50-Y112 HydrophobicContact CB-CE1 3.5Å; F50-Y112 AromaticContact CD1-CE1 4Å; F50-Y112 HydrophobicContact CD1-CE1 4Å; F50-Y112 HydrophobicContact CD2-CD1 4.38Å; F50-Y112 HydrophobicContact CD2-CE1 4.46Å; F50-Y112 HydrophobicContact CG-CD1 4.05Å; F50-Y112 AromaticContact CG-CE1 3.75Å; F50-Y112 HydrophobicContact CG-CE1 3.75Å; Y112-L150 HydrophobicContact CD1-CD1 4.2Å; Y112-L150 PolarHBondContact N-O 3.22Å; Y112-L150 PolarHBondContact O-N 3.44Å |
| 113 | P | 92.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 21% | 0.208 | 23% | 0.231 | C | C | . | . | S | Bend | cis | -67.3 | 143.8 | -6 | 28.8 | -35.1 | 0 | 0 | 0 | 111.6 | F50 Y115 I116 | F50-P113 HydrophobicContact CE2-CG 4.39Å; F50-P113 HydrophobicContact CZ-CG 4.23Å; P113-Y115 VanDerWaalsContact C-N 3.27Å; P113-Y115 PolarHBondContact O-N 3.05Å; P113-I116 HydrophobicContact CG-CG1 4.25Å |
| 114 | R | 92.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 21% | 0.211 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -66.4 | -33.1 | -178.1 | -64.6 | -180 | -158.7 | -106.9 | 5.4 | 112.1 | D40 Y107 D108 P109 R111 | D40-R114 IonicContact OD2-CZ 3.44Å; D40-R114 VanDerWaalsContact OD2-CZ 3.31Å; D40-R114 IonicContact OD2-NH1 3.78Å; D40-R114 PolarHBondContact OD2-NH1 2.86Å; D40-R114 IonicContact OD2-NH2 3.46Å; D40-R114 PolarHBondContact OD2-NH2 2.72Å; Y107-R114 WeakPolarHBondContact CA-O 3Å; Y107-R114 HydrophobicContact CD2-CB 4.2Å; Y107-R114 HydrophobicContact CE2-CB 4.03Å; D108-R114 PolarHBondContact N-O 3.46Å; P109-R114 PolarHBondContact O-NH1 3.23Å; R111-R114 VanDerWaalsContact O-CG 3.26Å; R111-R114 WeakPolarHBondContact O-CG 3.43Å |
| 115 | Y | 89.4 | Confident | 92.4 | Very high | 128 Ų | 128 | 49.5 Ų | 49.5 | 50% | 0.502 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125 | -178.7 | -58.1 | -84 | 0 | 0 | 0 | 109.6 | I105 S106 Y107 P113 | I105-Y115 HydrophobicContact CG2-CD1 3.62Å; I105-Y115 HydrophobicContact CG2-CG 4.22Å; S106-Y115 WeakPolarHBondContact O-CA 3.44Å; Y107-Y115 AromaticContact CD2-CD1 3.75Å; Y107-Y115 HydrophobicContact CD2-CD1 3.75Å; Y107-Y115 AromaticContact CD2-CE1 3.29Å; Y107-Y115 HydrophobicContact CD2-CE1 3.29Å; Y107-Y115 HydrophobicContact CD2-CE2 4.17Å; Y107-Y115 HydrophobicContact CD2-CG 4.38Å; Y107-Y115 AromaticContact CD2-CZ 3.53Å; Y107-Y115 AromaticContact CE2-CE1 3.97Å; Y107-Y115 HydrophobicContact CE2-CE1 3.97Å; Y107-Y115 HydrophobicContact CE2-CE2 4.24Å; Y107-Y115 AromaticContact CE2-CZ 3.7Å; Y107-Y115 HydrophobicContact CG-CD1 4.45Å; Y107-Y115 HydrophobicContact CG-CE1 4.08Å; P113-Y115 VanDerWaalsContact C-N 3.27Å; P113-Y115 PolarHBondContact O-N 3.05Å |
| 116 | I | 90.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.4 | 176.1 | -63.1 | 177.9 | 0 | 0 | 0 | 108.2 | S106 P113 E118 I149 V170 | S106-I116 WeakPolarHBondContact CB-O 3.1Å; S106-I116 PolarHBondContact N-O 2.74Å; S106-I116 PolarHBondContact O-N 2.84Å; P113-I116 HydrophobicContact CG-CG1 4.25Å; I116-E118 PolarHBondContact O-N 2.86Å; I116-I149 HydrophobicContact CD1-CG2 3.69Å; I116-V170 HydrophobicContact CG2-CG1 3.75Å; I116-V170 HydrophobicContact CG2-CG2 3.92Å |
| 117 | P | 89.8 | Confident | 92.7 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120.1 | 174.8 | 31 | -32.1 | 0 | 0 | 0 | 109.9 | F61 A64 L65 Y103 I105 | F61-P117 HydrophobicContact CD1-CG 3.87Å; A64-P117 HydrophobicContact CB-CB 4.27Å; A64-P117 HydrophobicContact CB-CG 3.99Å; L65-P117 HydrophobicContact CD2-CG 4.14Å; L65-P117 HydrophobicContact CG-CG 4.38Å; Y103-P117 HydrophobicContact CD1-CB 4.12Å; Y103-P117 HydrophobicContact CG-CB 4.47Å; I105-P117 HydrophobicContact CD1-CB 3.92Å |
| 118 | E | 91.8 | Very high | 92.6 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.7 | 177.1 | -70.8 | 176.9 | -170.9 | 0 | 0 | 110.1 | Y103 R104 S106 I116 V170 | Y103-E118 WeakPolarHBondContact CA-O 3.46Å; R104-E118 HydrophobicContact CG-CB 4.1Å; R104-E118 WeakPolarHBondContact CG-O 3.19Å; R104-E118 IonicContact CZ-OE2 3.39Å; R104-E118 PolarHBondContact N-O 2.96Å; R104-E118 IonicContact NE-OE2 3.22Å; R104-E118 PolarHBondContact NE-OE2 2.73Å; R104-E118 IonicContact NH2-OE2 2.75Å; R104-E118 PolarHBondContact NH2-OE2 3.47Å; R104-E118 PolarHBondContact O-N 2.77Å; S106-E118 VanDerWaalsContact CB-OE1 3.28Å; S106-E118 WeakPolarHBondContact CB-OE1 3.38Å; S106-E118 PolarHBondContact OG-OE1 2.97Å; I116-E118 PolarHBondContact O-N 2.86Å; E118-V170 HydrophobicContact CG-CG1 4.28Å |
| 119 | A | 93.4 | Very high | 92 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 143.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W101 A102 Y103 A171 | W101-A119 HydrophobicContact CG-CB 4.33Å; A102-A119 CarbonylContact O-C 3.58Å; A102-A119 WeakPolarHBondContact O-CA 3.16Å; Y103-A119 HydrophobicContact CD1-CB 4.09Å; Y103-A119 HydrophobicContact CE1-CB 3.83Å; A119-A171 HydrophobicContact CB-CB 4.22Å; A119-A171 WeakPolarHBondContact CB-O 3.39Å; A119-A171 PolarHBondContact N-O 2.87Å; A119-A171 WeakPolarHBondContact O-CB 3.26Å |
| 120 | Y | 94.2 | Very high | 91.2 | Very high | 82 Ų | 82 | 45.1 Ų | 45.1 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 140.6 | 168 | 67.3 | -87.2 | 0 | 0 | 0 | 110.8 | W101 A102 R104 L122 | W101-Y120 VanDerWaalsContact CA-O 3.24Å; W101-Y120 WeakPolarHBondContact CA-O 3.19Å; W101-Y120 VanDerWaalsContact CB-O 3.27Å; W101-Y120 WeakPolarHBondContact CB-O 3.36Å; A102-Y120 HydrophobicContact CB-CD1 4.49Å; A102-Y120 HydrophobicContact CB-CE1 3.75Å; A102-Y120 HydrophobicContact CB-CE2 4.11Å; A102-Y120 WeakPolarHBondContact CB-OH 3.43Å; A102-Y120 PolarHBondContact N-O 2.83Å; A102-Y120 VanDerWaalsContact O-CD1 3.27Å; A102-Y120 WeakPolarHBondContact O-CD1 3.47Å; A102-Y120 PolarHBondContact O-N 3.44Å; R104-Y120 HydrophobicContact CB-CD1 4.15Å; R104-Y120 HydrophobicContact CB-CE1 4.11Å; R104-Y120 HydrophobicContact CG-CD1 4.19Å; Y120-L122 HydrophobicContact CD2-CD2 4.27Å; Y120-L122 HydrophobicContact CE2-CD2 3.67Å |
| 121 | C | 95.1 | Very high | 90.3 | Very high | 33 Ų | 33 | 50 Ų | 50 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 133.3 | -176.9 | -45.6 | 0 | 0 | 0 | 0 | 110.1 | C123 C174 | C121-C123 VanDerWaalsContact C-N 3.35Å; C121-C174 WeakPolarHBondContact CA-SG 3.45Å; C121-C174 HydrophobicContact CB-CB 4Å; C121-C174 WeakPolarHBondContact CB-SG 3.46Å; C121-C174 PolarHBondContact N-SG 2.83Å; C121-C174 WeakPolarHBondContact SG-CB 3.44Å; C121-C174 CovalentContact SG-SG 2.04Å; C121-C174 PolarHBondContact SG-SG 3.42Å |
| 122 | L | 93.3 | Very high | 89.5 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -76.6 | -28.1 | 178.5 | -60.1 | -174.7 | 0 | 0 | 0 | 111.9 | L75 C77 L95 P100 A102 Y120 | L75-L122 HydrophobicContact CB-CD1 4.26Å; L75-L122 HydrophobicContact CB-CD2 3.97Å; L75-L122 WeakPolarHBondContact O-CD2 2.88Å; C77-L122 WeakPolarHBondContact CB-O 3.4Å; C77-L122 PolarHBondContact N-O 2.7Å; L95-L122 HydrophobicContact CD2-CD1 4.31Å; P100-L122 HydrophobicContact CB-CD1 4.27Å; P100-L122 HydrophobicContact CG-CB 4.35Å; P100-L122 PolarHBondContact O-N 2.94Å; A102-L122 HydrophobicContact CB-CD2 3.74Å; A102-L122 HydrophobicContact CB-CG 4.48Å; Y120-L122 HydrophobicContact CD2-CD2 4.27Å; Y120-L122 HydrophobicContact CE2-CD2 3.67Å |
| 123 | C | 92.2 | Very high | 89.1 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | trans | -113.3 | 148.7 | -173.8 | -65.9 | 0 | 0 | 0 | 0 | 111 | C77 C121 G125 Q134 S140 | C77-C123 VanDerWaalsContact CA-SG 3.51Å; C77-C123 HydrophobicContact CB-CB 4.05Å; C77-C123 WeakPolarHBondContact CB-SG 3.43Å; C77-C123 WeakPolarHBondContact SG-CB 3.03Å; C77-C123 CovalentContact SG-SG 2.04Å; C77-C123 PolarHBondContact SG-SG 2.91Å; C121-C123 VanDerWaalsContact C-N 3.35Å; C123-G125 VanDerWaalsContact CB-O 3.31Å; C123-G125 WeakPolarHBondContact CB-O 3.41Å; C123-Q134 VanDerWaalsContact CB-NE2 3.34Å; C123-S140 VanDerWaalsContact O-CB 3.28Å; C123-S140 WeakPolarHBondContact O-CB 3.43Å | ||
| 124 | K | 92.3 | Very high | 88.9 | Confident | 173 Ų | 173 | 51.9 Ų | 51.9 | 75% | 0.752 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -78.3 | -49.3 | 171 | -69.1 | -175.8 | 178.9 | -179.4 | 0 | 111.3 | R139 S140 | K124-R139 CarbonylContact O-C 3.56Å; K124-R139 VanDerWaalsContact O-CA 3.31Å; K124-R139 WeakPolarHBondContact O-CA 3.32Å; K124-S140 PolarHBondContact O-N 2.95Å |
| 125 | G | 92.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -92.7 | -169.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C123 Q134 Y138 S140 | C123-G125 VanDerWaalsContact CB-O 3.31Å; C123-G125 WeakPolarHBondContact CB-O 3.41Å; G125-Q134 VanDerWaalsContact CA-CG 3.45Å; G125-Q134 VanDerWaalsContact N-NE2 3.16Å; G125-Y138 VanDerWaalsContact CA-O 3.26Å; G125-Y138 WeakPolarHBondContact CA-O 3.46Å; G125-S140 PolarHBondContact O-OG 2.89Å |
| 126 | C | 93.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 149.2 | 175 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | I98 V128 Q134 S135 Y138 C176 | I98-C126 CarbonylContact O-C 3.57Å; I98-C126 WeakPolarHBondContact O-CA 3.44Å; C126-V128 HydrophobicContact CB-CG1 4.26Å; C126-V128 HydrophobicContact CB-CG2 4.36Å; C126-V128 PolarHBondContact O-N 2.02Å; C126-Q134 CarbonylContact O-C 3.59Å; C126-Q134 WeakPolarHBondContact O-CA 3.02Å; C126-S135 PolarHBondContact O-N 2.72Å; C126-Y138 WeakPolarHBondContact SG-CB 3.2Å; C126-C176 HydrophobicContact CB-CB 3.96Å; C126-C176 WeakPolarHBondContact CB-SG 3.33Å; C126-C176 WeakPolarHBondContact SG-CA 3.34Å; C126-C176 WeakPolarHBondContact SG-CB 3.3Å; C126-C176 CovalentContact SG-SG 2.02Å; C126-C176 PolarHBondContact SG-SG 2.91Å |
| 127 | L | 91.6 | Very high | 88.3 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -79.6 | 55.6 | 179.8 | -55.1 | -179.4 | 0 | 0 | 0 | 111.9 | P78 I98 P100 G133 | P78-L127 HydrophobicContact CB-CD1 4.44Å; P78-L127 HydrophobicContact CG-CD1 4.5Å; I98-L127 PolarHBondContact O-N 3.44Å; P100-L127 HydrophobicContact CG-CD1 3.96Å; L127-G133 CarbonylContact C-O 3.55Å; L127-G133 WeakPolarHBondContact CA-O 3.46Å |
| 128 | V | 89.3 | Confident | 88.5 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | trans | -110.8 | -0.1 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | I98 C126 G133 Y138 | I98-V128 HydrophobicContact CB-CG1 4.22Å; I98-V128 HydrophobicContact CD1-CG1 3.92Å; I98-V128 HydrophobicContact CG2-CG1 4.31Å; C126-V128 HydrophobicContact CB-CG1 4.26Å; C126-V128 HydrophobicContact CB-CG2 4.36Å; C126-V128 PolarHBondContact O-N 2.02Å; V128-G133 PolarHBondContact N-O 2.67Å; V128-Y138 HydrophobicContact CG2-CD2 3.77Å; V128-Y138 HydrophobicContact CG2-CE2 4.02Å | ||
| 129 | G | 82.8 | Confident | 88.6 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -77.4 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | H131 G132 G133 | G129-H131 PolarHBondContact O-N 3.3Å; G129-G132 PolarHBondContact O-N 2.81Å; G129-G133 VanDerWaalsContact CA-O 3.27Å; G129-G133 WeakPolarHBondContact CA-O 2.86Å; G129-G133 PolarHBondContact N-O 3.5Å; G129-G133 PolarHBondContact O-N 2.61Å |
| 130 | P | 77.4 | Confident | 88.8 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 75% | 0.747 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -51.6 | 139.3 | 177.1 | -25.3 | 34.1 | 0 | 0 | 0 | 111.9 | G132 G133 | P130-G132 PolarHBondContact O-N 3.39Å; P130-G132 VanDerWaalsContact O-N 3.13Å; P130-G133 PolarHBondContact O-N 2.74Å |
| 131 | H | 76.1 | Confident | 88.9 | Confident | 173 Ų | 173 | 60.3 Ų | 60.3 | 80% | 0.801 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | 58.1 | 19.2 | -177.2 | -51.4 | -72.1 | 0 | 0 | 0 | 115 | A80 G129 G133 | A80-H131 CarbonylContact C-O 3.54Å; A80-H131 VanDerWaalsContact CA-O 3.25Å; A80-H131 WeakPolarHBondContact CA-O 3.33Å; A80-H131 WeakPolarHBondContact CB-O 3.14Å; G129-H131 PolarHBondContact O-N 3.3Å; H131-G133 VanDerWaalsContact C-N 3.32Å |
| 132 | G | 76.3 | Confident | 89 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | 78.5 | 20 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G129 P130 | G129-G132 PolarHBondContact O-N 2.81Å; P130-G132 PolarHBondContact O-N 3.39Å; P130-G132 VanDerWaalsContact O-N 3.13Å |
| 133 | G | 84.7 | Confident | 89.1 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 22% | 0.216 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 162.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L127 V128 G129 P130 H131 | L127-G133 CarbonylContact C-O 3.55Å; L127-G133 WeakPolarHBondContact CA-O 3.46Å; V128-G133 PolarHBondContact N-O 2.67Å; G129-G133 VanDerWaalsContact CA-O 3.27Å; G129-G133 WeakPolarHBondContact CA-O 2.86Å; G129-G133 PolarHBondContact N-O 3.5Å; G129-G133 PolarHBondContact O-N 2.61Å; P130-G133 PolarHBondContact O-N 2.74Å; H131-G133 VanDerWaalsContact C-N 3.32Å |
| 134 | Q | 89.4 | Confident | 89.3 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 127.8 | 178.1 | -171.7 | 172.8 | 87.3 | 0 | 0 | 111.1 | C123 G125 C126 | C123-Q134 VanDerWaalsContact CB-NE2 3.34Å; G125-Q134 VanDerWaalsContact CA-CG 3.45Å; G125-Q134 VanDerWaalsContact N-NE2 3.16Å; C126-Q134 CarbonylContact O-C 3.59Å; C126-Q134 WeakPolarHBondContact O-CA 3.02Å |
| 135 | S | 87.6 | Confident | 89.2 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 139.6 | 171.4 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | C126 Q137 | C126-S135 PolarHBondContact O-N 2.72Å; S135-Q137 VanDerWaalsContact C-N 3.33Å; S135-Q137 PolarHBondContact OG-N 2.8Å |
| 136 | Q | 82.6 | Confident | 89.1 | Confident | 149 Ų | 149 | 66.3 Ų | 66.3 | 70% | 0.696 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 6 | 175.1 | -58.8 | -64 | -13 | 0 | 0 | 113.1 | L179 | Q136-L179 WeakPolarHBondContact O-CD1 3.32Š|
| 137 | Q | 89.8 | Confident | 88.9 | Confident | 137 Ų | 137 | 66.6 Ų | 66.6 | 64% | 0.64 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -10 | 174.6 | -67 | 176.3 | -19 | 0 | 0 | 112.6 | S135 L179 | S135-Q137 VanDerWaalsContact C-N 3.33Å; S135-Q137 PolarHBondContact OG-N 2.8Å; Q137-L179 PolarHBondContact O-N 2.68Å |
| 138 | Y | 93.1 | Very high | 88.9 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 156.4 | -178.1 | -59.1 | -90.4 | 0 | 0 | 0 | 110.3 | G125 C126 V128 C176 V177 P178 | G125-Y138 VanDerWaalsContact CA-O 3.26Å; G125-Y138 WeakPolarHBondContact CA-O 3.46Å; C126-Y138 WeakPolarHBondContact SG-CB 3.2Å; V128-Y138 HydrophobicContact CG2-CD2 3.77Å; V128-Y138 HydrophobicContact CG2-CE2 4.02Å; Y138-C176 VanDerWaalsContact CB-SG 3.56Å; Y138-V177 CarbonylContact C-O 3.42Å; Y138-V177 VanDerWaalsContact CA-O 3.24Å; Y138-V177 WeakPolarHBondContact CA-O 3.41Å; Y138-V177 WeakPolarHBondContact CB-O 3.41Å; Y138-P178 HydrophobicContact CD1-CG 4.42Å; Y138-P178 HydrophobicContact CE1-CG 4.27Å |
| 139 | R | 94.9 | Very high | 89.1 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143.5 | 169.9 | 64 | 177.9 | -179.2 | 88.7 | -5.1 | 111.5 | K124 V177 L179 E183 | K124-R139 CarbonylContact O-C 3.56Å; K124-R139 VanDerWaalsContact O-CA 3.31Å; K124-R139 WeakPolarHBondContact O-CA 3.32Å; R139-V177 HydrophobicContact CG-CG2 3.5Å; R139-V177 PolarHBondContact N-O 2.69Å; R139-V177 PolarHBondContact O-N 3.4Å; R139-L179 HydrophobicContact CB-CD2 3.94Å; R139-L179 HydrophobicContact CB-CG 4.2Å; R139-L179 HydrophobicContact CG-CD2 4.07Å; R139-L179 HydrophobicContact CG-CG 4.43Å; R139-E183 IonicContact CZ-OE1 3.77Å; R139-E183 IonicContact NE-OE1 3.02Å; R139-E183 PolarHBondContact NE-OE1 2.89Å; R139-E183 IonicContact NE-OE2 2.99Å; R139-E183 PolarHBondContact NE-OE2 3.42Å; R139-E183 VanDerWaalsContact NE-OE2 3.11Å; R139-E183 IonicContact NH2-OE1 2.6Å; R139-E183 PolarHBondContact NH2-OE1 3.36Å |
| 140 | S | 95.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124.3 | 166.1 | -68.8 | 0 | 0 | 0 | 0 | 108.5 | S99 C123 K124 G125 T175 | S99-S140 VanDerWaalsContact CB-OG 3.24Å; S99-S140 WeakPolarHBondContact CB-OG 3.4Å; C123-S140 VanDerWaalsContact O-CB 3.28Å; C123-S140 WeakPolarHBondContact O-CB 3.43Å; K124-S140 PolarHBondContact O-N 2.95Å; G125-S140 PolarHBondContact O-OG 2.89Å; S140-T175 CarbonylContact C-O 3.54Å; S140-T175 WeakPolarHBondContact CA-O 3.28Å |
| 141 | A | 96.5 | Very high | 90.6 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C174 T175 V177 | A141-C174 CarbonylContact O-C 3.56Å; A141-C174 VanDerWaalsContact O-CA 3.3Å; A141-C174 WeakPolarHBondContact O-CA 3.47Å; A141-T175 PolarHBondContact N-O 2.85Å; A141-T175 PolarHBondContact O-N 3.37Å; A141-V177 HydrophobicContact CB-CG2 4.04Å |
| 142 | P | 97 | Very high | 91.5 | Very high | 59 Ų | 59 | 56.5 Ų | 56.5 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 139.3 | 175.3 | 27.8 | -33.5 | 0 | 0 | 0 | 110.9 | F144 A171 G173 | P142-F144 HydrophobicContact CB-CE2 4.07Å; P142-F144 HydrophobicContact CB-CZ 4.18Å; P142-F144 HydrophobicContact CG-CE2 3.74Å; P142-F144 HydrophobicContact CG-CZ 3.95Å; P142-A171 HydrophobicContact CB-CB 4.26Å; P142-G173 CarbonylContact C-O 3.53Å; P142-G173 WeakPolarHBondContact CA-O 3.37Å |
| 143 | V | 96.7 | Very high | 92.2 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.8 | 172.6 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | A171 V172 G173 T175 | V143-A171 CarbonylContact O-C 3.47Å; V143-A171 WeakPolarHBondContact O-CA 3.4Å; V143-V172 HydrophobicContact CB-CG2 4.48Å; V143-V172 HydrophobicContact CG1-CG2 4.3Å; V143-V172 WeakPolarHBondContact O-CG2 3.33Å; V143-V172 PolarHBondContact O-N 3.31Å; V143-G173 PolarHBondContact N-O 3.28Å; V143-T175 HydrophobicContact CG2-CG2 3.53Å |
| 144 | F | 94.8 | Very high | 92.4 | Very high | 120 Ų | 120 | 60.1 Ų | 60.1 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.4 | -178.5 | -67.2 | -85.1 | 0 | 0 | 0 | 111.5 | P142 S169 V170 A171 | P142-F144 HydrophobicContact CB-CE2 4.07Å; P142-F144 HydrophobicContact CB-CZ 4.18Å; P142-F144 HydrophobicContact CG-CE2 3.74Å; P142-F144 HydrophobicContact CG-CZ 3.95Å; F144-S169 VanDerWaalsContact CB-OG 3.3Å; F144-S169 WeakPolarHBondContact CB-OG 3.45Å; F144-S169 VanDerWaalsContact CD1-OG 3.29Å; F144-S169 WeakPolarHBondContact CD1-OG 3.5Å; F144-S169 WeakPolarHBondContact CG-OG 3.36Å; F144-V170 WeakPolarHBondContact CA-O 3.44Å; F144-A171 HydrophobicContact CD1-CB 4.12Å; F144-A171 HydrophobicContact CE1-CB 3.91Å |
| 145 | A | 90.9 | Very high | 92.4 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S147 V170 V172 | A145-S147 PolarHBondContact O-N 3.38Å; A145-V170 PolarHBondContact N-O 3.44Å; A145-V170 PolarHBondContact O-N 2.99Å; A145-V172 HydrophobicContact CB-CG1 3.72Å; A145-V172 HydrophobicContact CB-CG2 4.2Å |
| 146 | P | 91 | Very high | 92.5 | Very high | 95 Ų | 95 | 61.6 Ų | 61.6 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 128.1 | 171.3 | 29.2 | -32.8 | 0 | 0 | 0 | 109.8 | Y167 | P146-Y167 HydrophobicContact CB-CD1 4.42Å |
| 147 | S | 88.3 | Confident | 92.8 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.5 | 172.4 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | A145 Y167 V168 | A145-S147 PolarHBondContact O-N 3.38Å; S147-Y167 WeakPolarHBondContact O-CA 3.48Å; S147-V168 PolarHBondContact N-O 3.47Å; S147-V168 WeakPolarHBondContact O-CG2 3.2Å; S147-V168 PolarHBondContact O-N 3.25Å |
| 148 | V | 91.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 145.9 | 169.4 | 65.8 | 0 | 0 | 0 | 0 | 109.8 | F50 L53 E165 I166 Y167 | F50-V148 HydrophobicContact CD2-CG1 4.39Å; F50-V148 HydrophobicContact CE2-CG1 4.04Å; F50-V148 WeakPolarHBondContact CE2-O 3.48Å; L53-V148 HydrophobicContact CB-CB 4.45Å; L53-V148 HydrophobicContact CB-CG1 3.86Å; L53-V148 HydrophobicContact CB-CG2 3.96Å; L53-V148 HydrophobicContact CD1-CG2 3.9Å; V148-E165 HydrophobicContact CG2-CB 4.29Å; V148-I166 CarbonylContact C-O 3.53Å; V148-I166 WeakPolarHBondContact CA-O 3.47Å; V148-Y167 HydrophobicContact CB-CD1 4.37Å; V148-Y167 HydrophobicContact CB-CE1 4.09Å |
| 149 | I | 93.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155 | 167.5 | 61.8 | 168.5 | 0 | 0 | 0 | 109.5 | R111 I116 E165 I166 V168 | R111-I149 HydrophobicContact CB-CD1 4.06Å; I116-I149 HydrophobicContact CD1-CG2 3.69Å; I149-E165 WeakPolarHBondContact O-CA 3.46Å; I149-I166 HydrophobicContact CD1-CD1 3.91Å; I149-I166 HydrophobicContact CD1-CG1 3.9Å; I149-I166 HydrophobicContact CG1-CD1 4.08Å; I149-I166 HydrophobicContact CG1-CG1 3.48Å; I149-I166 VanDerWaalsContact CG1-CG1 3.48Å; I149-I166 PolarHBondContact N-O 3.33Å; I149-I166 PolarHBondContact O-N 3.43Å; I149-V168 HydrophobicContact CD1-CG1 3.6Å; I149-V168 HydrophobicContact CD1-CG2 4.22Å; I149-V168 HydrophobicContact CG1-CG1 4Å; I149-V168 HydrophobicContact CG1-CG2 4.24Å; I149-V168 HydrophobicContact CG2-CG2 3.82Å |
| 150 | L | 95.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 112.4 | 168.9 | -59.5 | 174.8 | 0 | 0 | 0 | 108.5 | L46 M49 F50 L53 R111 Y112 Y163 T164 E165 | L46-L150 HydrophobicContact CD2-CD1 4.09Å; M49-L150 HydrophobicContact CB-CD1 3.61Å; M49-L150 HydrophobicContact CB-CD2 4.45Å; M49-L150 HydrophobicContact CE-CD1 4.49Å; M49-L150 HydrophobicContact CE-CD2 4.28Å; F50-L150 HydrophobicContact CB-CD1 4.12Å; L53-L150 HydrophobicContact CD1-CD2 3.73Å; R111-L150 CarbonylContact C-O 3.55Å; R111-L150 WeakPolarHBondContact CA-O 3.3Å; Y112-L150 HydrophobicContact CD1-CD1 4.2Å; Y112-L150 PolarHBondContact N-O 3.22Å; Y112-L150 PolarHBondContact O-N 3.44Å; L150-Y163 HydrophobicContact CB-CD1 4.01Å; L150-T164 CarbonylContact C-O 3.58Å; L150-T164 WeakPolarHBondContact CA-O 3.35Å; L150-E165 HydrophobicContact CD2-CB 4.43Å |
| 151 | R | 96.4 | Very high | 92.6 | Very high | 123 Ų | 123 | 56.4 Ų | 56.4 | 46% | 0.464 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132 | 178.3 | -172.7 | 165.1 | -173.4 | 135.8 | 2.1 | 110.8 | T153 Y163 T164 I166 | R151-T153 PolarHBondContact O-N 3.46Å; R151-Y163 CarbonylContact O-C 3.58Å; R151-Y163 VanDerWaalsContact O-CA 3.28Å; R151-Y163 WeakPolarHBondContact O-CA 3.37Å; R151-T164 HydrophobicContact CB-CG2 4.4Å; R151-T164 PolarHBondContact N-O 3.49Å; R151-T164 PolarHBondContact O-N 3.42Å; R151-I166 HydrophobicContact CB-CD1 3.99Å; R151-I166 HydrophobicContact CB-CG1 4.17Å; R151-I166 HydrophobicContact CG-CD1 4.43Å |
| 152 | R | 95.5 | Very high | 92.5 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 22% | 0.223 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 129.1 | 172.8 | -164.9 | -168.8 | -88.2 | -177.1 | 11.2 | 109.3 | D40 N110 H161 Y163 | D40-R152 IonicContact OD1-CZ 3.23Å; D40-R152 IonicContact OD1-NE 3.05Å; D40-R152 PolarHBondContact OD1-NE 2.9Å; D40-R152 IonicContact OD1-NH2 2.7Å; D40-R152 PolarHBondContact OD1-NH2 3Å; D40-R152 IonicContact OD2-NH2 3.31Å; D40-R152 PolarHBondContact OD2-NH2 3.15Å; N110-R152 HydrophobicContact CB-CB 4.26Å; N110-R152 WeakPolarHBondContact O-CB 3.24Å; N110-R152 PolarHBondContact O-N 2.92Å; R152-H161 VanDerWaalsContact CD-CG 3.43Å; R152-H161 WeakPolarHBondContact CD-ND1 3.41Å; R152-H161 HydrophobicContact CG-CB 3.62Å; R152-H161 PolarHBondContact NE-CD2 3.21Å; R152-H161 PolarHBondContact NH1-NE2 3.06Å; R152-Y163 HydrophobicContact CB-CD1 4.45Å; R152-Y163 HydrophobicContact CB-CE1 4.14Å |
| 153 | T | 91.3 | Very high | 92.4 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 162.3 | 172.8 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | R151 S155 S162 T164 | R151-T153 PolarHBondContact O-N 3.46Å; T153-S155 PolarHBondContact O-N 3.24Å; T153-S155 PolarHBondContact OG1-OG 2.92Å; T153-S155 VanDerWaalsContact OG1-OG 3.05Å; T153-S162 WeakPolarHBondContact CB-O 3.45Å; T153-S162 PolarHBondContact N-O 2.88Å; T153-S162 WeakPolarHBondContact OG1-CB 3.24Å; T153-S162 PolarHBondContact OG1-O 3.39Å; T153-S162 PolarHBondContact OG1-OG 2.82Å; T153-T164 HydrophobicContact CG2-CG2 4.02Å |
| 154 | G | 87.5 | Confident | 92.3 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 94% | 0.938 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -9.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 155 | S | 89.4 | Confident | 92.2 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 43% | 0.427 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 147 | -179.7 | 39.9 | 0 | 0 | 0 | 0 | 112.6 | T153 S162 | T153-S155 PolarHBondContact O-N 3.24Å; T153-S155 PolarHBondContact OG1-OG 2.92Å; T153-S155 VanDerWaalsContact OG1-OG 3.05Å; S155-S162 WeakPolarHBondContact CB-OG 3.13Å; S155-S162 PolarHBondContact O-N 2.72Å; S155-S162 PolarHBondContact O-OG 2.87Å; S155-S162 PolarHBondContact OG-OG 2.62Å |
| 156 | C | 90.8 | Very high | 92.3 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 38% | 0.378 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 110.5 | -179.1 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | C38 R160 | C38-C156 HydrophobicContact CB-CB 3.96Å; C38-C156 WeakPolarHBondContact CB-SG 3.27Å; C38-C156 WeakPolarHBondContact SG-CB 3.32Å; C38-C156 CovalentContact SG-SG 2.02Å; C38-C156 PolarHBondContact SG-SG 3.29Å; C156-R160 CarbonylContact C-O 3.6Å; C156-R160 WeakPolarHBondContact CA-O 3.48Å |
| 157 | V | 89.3 | Confident | 92.4 | Very high | 107 Ų | 107 | 59.4 Ų | 59.4 | 65% | 0.648 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.8 | -174.8 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | G159 R160 | V157-G159 PolarHBondContact O-N 3.05Å; V157-G159 VanDerWaalsContact O-N 3.15Å; V157-R160 PolarHBondContact N-O 2.69Å; V157-R160 PolarHBondContact O-N 2.59Å |
| 158 | G | 88.9 | Confident | 92.6 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 87% | 0.866 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 26.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R160 | G158-R160 VanDerWaalsContact C-N 3.31Š|
| 159 | G | 90.7 | Very high | 92.7 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 7.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L39 V157 | L39-G159 PolarHBondContact N-O 3.31Å; V157-G159 PolarHBondContact O-N 3.05Å; V157-G159 VanDerWaalsContact O-N 3.15Å |
| 160 | R | 94.4 | Very high | 92.7 | Very high | 105 Ų | 105 | 64.7 Ų | 64.7 | 40% | 0.396 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.7 | 177.7 | -62.9 | -76.4 | -178.7 | 177.4 | 3.1 | 111 | L39 D40 L41 C156 V157 G158 | L39-R160 CarbonylContact O-C 3.51Å; L39-R160 WeakPolarHBondContact O-CA 3.43Å; D40-R160 WeakPolarHBondContact O-CD 3.4Å; D40-R160 PolarHBondContact O-NH1 2.8Å; L41-R160 HydrophobicContact CD1-CB 4.03Å; C156-R160 CarbonylContact C-O 3.6Å; C156-R160 WeakPolarHBondContact CA-O 3.48Å; V157-R160 PolarHBondContact N-O 2.69Å; V157-R160 PolarHBondContact O-N 2.59Å; G158-R160 VanDerWaalsContact C-N 3.31Å |
| 161 | H | 94.7 | Very high | 92.6 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 13% | 0.125 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.2 | 172.4 | -76.1 | -66.5 | 0 | 0 | 0 | 111.3 | C38 L39 D40 L41 R152 Y163 | C38-H161 VanDerWaalsContact CB-CE1 3.43Å; C38-H161 WeakPolarHBondContact CB-CE1 3.27Å; C38-H161 WeakPolarHBondContact CB-NE2 3.24Å; C38-H161 PolarHBondContact O-CD2 2.79Å; C38-H161 PolarHBondContact O-NE2 3.29Å; L39-H161 PolarHBondContact O-N 2.02Å; D40-H161 IonicContact OD1-CD2 3.12Å; L41-H161 WeakPolarHBondContact CD1-O 3.24Å; R152-H161 VanDerWaalsContact CD-CG 3.43Å; R152-H161 WeakPolarHBondContact CD-ND1 3.41Å; R152-H161 HydrophobicContact CG-CB 3.62Å; R152-H161 PolarHBondContact NE-CD2 3.21Å; R152-H161 PolarHBondContact NH1-NE2 3.06Å; H161-Y163 HydrophobicContact CB-CE2 4.07Å; H161-Y163 WeakPolarHBondContact O-CD2 3.31Å; H161-Y163 WeakPolarHBondContact O-CE2 3.48Å |
| 162 | S | 94.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 158 | 166.8 | 41.4 | 0 | 0 | 0 | 0 | 111.4 | T153 S155 | T153-S162 WeakPolarHBondContact CB-O 3.45Å; T153-S162 PolarHBondContact N-O 2.88Å; T153-S162 WeakPolarHBondContact OG1-CB 3.24Å; T153-S162 PolarHBondContact OG1-O 3.39Å; T153-S162 PolarHBondContact OG1-OG 2.82Å; S155-S162 WeakPolarHBondContact CB-OG 3.13Å; S155-S162 PolarHBondContact O-N 2.72Å; S155-S162 PolarHBondContact O-OG 2.87Å; S155-S162 PolarHBondContact OG-OG 2.62Å |
| 163 | Y | 95 | Very high | 92.4 | Very high | 30 Ų | 30 | 58.7 Ų | 58.7 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.9 | -177.5 | -69 | -104 | 0 | 0 | 0 | 111.1 | D40 L41 L46 L150 R151 R152 H161 | D40-Y163 WeakPolarHBondContact CB-OH 3.47Å; D40-Y163 VanDerWaalsContact CG-OH 3.28Å; D40-Y163 PolarHBondContact OD1-OH 2.83Å; L41-Y163 HydrophobicContact CB-CE2 4.26Å; L41-Y163 HydrophobicContact CD1-CD2 4.1Å; L41-Y163 HydrophobicContact CD1-CE2 3.97Å; L46-Y163 HydrophobicContact CD2-CD1 4.08Å; L46-Y163 HydrophobicContact CD2-CD2 3.87Å; L46-Y163 HydrophobicContact CD2-CE1 4Å; L46-Y163 HydrophobicContact CD2-CE2 3.82Å; L46-Y163 HydrophobicContact CD2-CG 4Å; L150-Y163 HydrophobicContact CB-CD1 4.01Å; R151-Y163 CarbonylContact O-C 3.58Å; R151-Y163 VanDerWaalsContact O-CA 3.28Å; R151-Y163 WeakPolarHBondContact O-CA 3.37Å; R152-Y163 HydrophobicContact CB-CD1 4.45Å; R152-Y163 HydrophobicContact CB-CE1 4.14Å; H161-Y163 HydrophobicContact CB-CE2 4.07Å; H161-Y163 WeakPolarHBondContact O-CD2 3.31Å; H161-Y163 WeakPolarHBondContact O-CE2 3.48Å |
| 164 | T | 94.8 | Very high | 92.7 | Very high | 69 Ų | 69 | 57.4 Ų | 57.4 | 42% | 0.423 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.8 | 171.7 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | L150 R151 T153 I166 | L150-T164 CarbonylContact C-O 3.58Å; L150-T164 WeakPolarHBondContact CA-O 3.35Å; R151-T164 HydrophobicContact CB-CG2 4.4Å; R151-T164 PolarHBondContact N-O 3.49Å; R151-T164 PolarHBondContact O-N 3.42Å; T153-T164 HydrophobicContact CG2-CG2 4.02Å; T164-I166 HydrophobicContact CG2-CG2 4.37Å |
| 165 | E | 93.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 56 Ų | 56 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 139.4 | 171.4 | 64 | -172.9 | -147.6 | 0 | 0 | 110.9 | L53 V148 I149 L150 | L53-E165 HydrophobicContact CD1-CB 3.7Å; L53-E165 WeakPolarHBondContact CD1-OE2 3.34Å; L53-E165 WeakPolarHBondContact CD2-OE2 3.19Å; V148-E165 HydrophobicContact CG2-CB 4.29Å; I149-E165 WeakPolarHBondContact O-CA 3.46Å; L150-E165 HydrophobicContact CD2-CB 4.43Å |
| 166 | I | 93.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.9 | 167.8 | 62.4 | 170.2 | 0 | 0 | 0 | 109.9 | V148 I149 R151 T164 V168 | V148-I166 CarbonylContact C-O 3.53Å; V148-I166 WeakPolarHBondContact CA-O 3.47Å; I149-I166 HydrophobicContact CD1-CD1 3.91Å; I149-I166 HydrophobicContact CD1-CG1 3.9Å; I149-I166 HydrophobicContact CG1-CD1 4.08Å; I149-I166 HydrophobicContact CG1-CG1 3.48Å; I149-I166 VanDerWaalsContact CG1-CG1 3.48Å; I149-I166 PolarHBondContact N-O 3.33Å; I149-I166 PolarHBondContact O-N 3.43Å; R151-I166 HydrophobicContact CB-CD1 3.99Å; R151-I166 HydrophobicContact CB-CG1 4.17Å; R151-I166 HydrophobicContact CG-CD1 4.43Å; T164-I166 HydrophobicContact CG2-CG2 4.37Å; I166-V168 HydrophobicContact CD1-CG1 4.23Å; I166-V168 HydrophobicContact CG1-CG1 4.46Å |
| 167 | Y | 92.4 | Very high | 93.7 | Very high | 154 Ų | 154 | 53.8 Ų | 53.8 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.6 | 172 | -71.5 | -92.3 | 0 | 0 | 0 | 110.6 | P146 S147 V148 | P146-Y167 HydrophobicContact CB-CD1 4.42Å; S147-Y167 WeakPolarHBondContact O-CA 3.48Å; V148-Y167 HydrophobicContact CB-CD1 4.37Å; V148-Y167 HydrophobicContact CB-CE1 4.09Å |
| 168 | V | 92.3 | Very high | 93.9 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.9 | 175.1 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | S147 I149 I166 V170 | S147-V168 PolarHBondContact N-O 3.47Å; S147-V168 WeakPolarHBondContact O-CG2 3.2Å; S147-V168 PolarHBondContact O-N 3.25Å; I149-V168 HydrophobicContact CD1-CG1 3.6Å; I149-V168 HydrophobicContact CD1-CG2 4.22Å; I149-V168 HydrophobicContact CG1-CG1 4Å; I149-V168 HydrophobicContact CG1-CG2 4.24Å; I149-V168 HydrophobicContact CG2-CG2 3.82Å; I166-V168 HydrophobicContact CD1-CG1 4.23Å; I166-V168 HydrophobicContact CG1-CG1 4.46Å; V168-V170 HydrophobicContact CG2-CG2 4Å |
| 169 | S | 93.2 | Very high | 93.9 | Very high | 81 Ų | 81 | 51 Ų | 51 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 116.1 | 176.6 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | F144 | F144-S169 VanDerWaalsContact CB-OG 3.3Å; F144-S169 WeakPolarHBondContact CB-OG 3.45Å; F144-S169 VanDerWaalsContact CD1-OG 3.29Å; F144-S169 WeakPolarHBondContact CD1-OG 3.5Å; F144-S169 WeakPolarHBondContact CG-OG 3.36Å |
| 170 | V | 92.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.6 | -178.4 | -180 | 0 | 0 | 0 | 0 | 109.2 | F61 I116 E118 F144 A145 V168 V172 | F61-V170 HydrophobicContact CE1-CG1 4.34Å; I116-V170 HydrophobicContact CG2-CG1 3.75Å; I116-V170 HydrophobicContact CG2-CG2 3.92Å; E118-V170 HydrophobicContact CG-CG1 4.28Å; F144-V170 WeakPolarHBondContact CA-O 3.44Å; A145-V170 PolarHBondContact N-O 3.44Å; A145-V170 PolarHBondContact O-N 2.99Å; V168-V170 HydrophobicContact CG2-CG2 4Å; V170-V172 PolarHBondContact O-N 2.93Å |
| 171 | A | 95.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 5% | 0.05 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 119.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | A119 P142 V143 F144 | A119-A171 HydrophobicContact CB-CB 4.22Å; A119-A171 WeakPolarHBondContact CB-O 3.39Å; A119-A171 PolarHBondContact N-O 2.87Å; A119-A171 WeakPolarHBondContact O-CB 3.26Å; P142-A171 HydrophobicContact CB-CB 4.26Å; V143-A171 CarbonylContact O-C 3.47Å; V143-A171 WeakPolarHBondContact O-CA 3.4Å; F144-A171 HydrophobicContact CD1-CB 4.12Å; F144-A171 HydrophobicContact CE1-CB 3.91Å |
| 172 | V | 93.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -20.1 | -176.1 | -66.9 | 0 | 0 | 0 | 0 | 113.4 | F61 Y103 V143 A145 V170 | F61-V172 HydrophobicContact CE1-CG1 4.11Å; F61-V172 HydrophobicContact CZ-CG1 3.79Å; Y103-V172 PolarHBondContact OH-O 3.3Å; V143-V172 HydrophobicContact CB-CG2 4.48Å; V143-V172 HydrophobicContact CG1-CG2 4.3Å; V143-V172 WeakPolarHBondContact O-CG2 3.33Å; V143-V172 PolarHBondContact O-N 3.31Å; A145-V172 HydrophobicContact CB-CG1 3.72Å; A145-V172 HydrophobicContact CB-CG2 4.2Å; V170-V172 PolarHBondContact O-N 2.93Å |
| 173 | G | 94.5 | Very high | 88.8 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | -167.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P142 V143 | P142-G173 CarbonylContact C-O 3.53Å; P142-G173 WeakPolarHBondContact CA-O 3.37Å; V143-G173 PolarHBondContact N-O 3.28Å |
| 174 | C | 96.4 | Very high | 87 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 151.6 | 172.7 | -66.6 | 0 | 0 | 0 | 0 | 111 | S99 W101 C121 A141 | S99-C174 WeakPolarHBondContact O-CB 3.22Å; S99-C174 PolarHBondContact OG-O 2.93Å; W101-C174 HydrophobicContact CB-CB 4.1Å; W101-C174 HydrophobicContact CE3-CB 4.16Å; C121-C174 WeakPolarHBondContact CA-SG 3.45Å; C121-C174 HydrophobicContact CB-CB 4Å; C121-C174 WeakPolarHBondContact CB-SG 3.46Å; C121-C174 PolarHBondContact N-SG 2.83Å; C121-C174 WeakPolarHBondContact SG-CB 3.44Å; C121-C174 CovalentContact SG-SG 2.04Å; C121-C174 PolarHBondContact SG-SG 3.42Å; A141-C174 CarbonylContact O-C 3.56Å; A141-C174 VanDerWaalsContact O-CA 3.3Å; A141-C174 WeakPolarHBondContact O-CA 3.47Å |
| 175 | T | 97.1 | Very high | 85.3 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 162.8 | 174.8 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | S99 S140 A141 V143 V177 | S99-T175 VanDerWaalsContact OG-CA 3.27Å; S99-T175 WeakPolarHBondContact OG-CA 3.49Å; S99-T175 PolarHBondContact OG-N 3.17Å; S140-T175 CarbonylContact C-O 3.54Å; S140-T175 WeakPolarHBondContact CA-O 3.28Å; A141-T175 PolarHBondContact N-O 2.85Å; A141-T175 PolarHBondContact O-N 3.37Å; V143-T175 HydrophobicContact CG2-CG2 3.53Å; T175-V177 HydrophobicContact CG2-CG1 4.1Å |
| 176 | C | 95.9 | Very high | 83.6 | Confident | 29 Ų | 29 | 71 Ų | 71 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.4 | 178.1 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | I98 S99 C126 Y138 | I98-C176 HydrophobicContact CD1-CB 3.66Å; I98-C176 HydrophobicContact CG1-CB 4.13Å; S99-C176 PolarHBondContact OG-N 2.83Å; C126-C176 HydrophobicContact CB-CB 3.96Å; C126-C176 WeakPolarHBondContact CB-SG 3.33Å; C126-C176 WeakPolarHBondContact SG-CA 3.34Å; C126-C176 WeakPolarHBondContact SG-CB 3.3Å; C126-C176 CovalentContact SG-SG 2.02Å; C126-C176 PolarHBondContact SG-SG 2.91Å; Y138-C176 VanDerWaalsContact CB-SG 3.56Å |
| 177 | V | 95.8 | Very high | 81.9 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 26% | 0.255 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 148.9 | 177.8 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | Y138 R139 A141 T175 | Y138-V177 CarbonylContact C-O 3.42Å; Y138-V177 VanDerWaalsContact CA-O 3.24Å; Y138-V177 WeakPolarHBondContact CA-O 3.41Å; Y138-V177 WeakPolarHBondContact CB-O 3.41Å; R139-V177 HydrophobicContact CG-CG2 3.5Å; R139-V177 PolarHBondContact N-O 2.69Å; R139-V177 PolarHBondContact O-N 3.4Å; A141-V177 HydrophobicContact CB-CG2 4.04Å; T175-V177 HydrophobicContact CG2-CG1 4.1Å |
| 178 | P | 94.2 | Very high | 80.1 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 57% | 0.571 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 143.7 | 172.5 | -21.4 | 33 | 0 | 0 | 0 | 111.8 | Y138 | Y138-P178 HydrophobicContact CD1-CG 4.42Å; Y138-P178 HydrophobicContact CE1-CG 4.27Å |
| 179 | L | 88.8 | Confident | 78.2 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 123.4 | 170.7 | -82.4 | 161.2 | 0 | 0 | 0 | 109.8 | Q136 Q137 R139 E183 | Q136-L179 WeakPolarHBondContact O-CD1 3.32Å; Q137-L179 PolarHBondContact O-N 2.68Å; R139-L179 HydrophobicContact CB-CD2 3.94Å; R139-L179 HydrophobicContact CB-CG 4.2Å; R139-L179 HydrophobicContact CG-CD2 4.07Å; R139-L179 HydrophobicContact CG-CG 4.43Å; L179-E183 HydrophobicContact CD2-CB 4.49Å |
| 180 | M | 80.9 | Confident | 76.2 | Confident | 133 Ų | 133 | 75 Ų | 75 | 66% | 0.655 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 148.9 | 177 | -61.9 | -176.6 | 72.4 | 0 | 0 | 110.5 | K182 E183 | M180-K182 VanDerWaalsContact C-N 3.29Å; M180-K182 PolarHBondContact O-N 2.93Å; M180-E183 PolarHBondContact O-N 3.43Å |
| 181 | E | 66.9 | Low | 74.1 | Confident | 140 Ų | 140 | 83.6 Ų | 83.6 | 65% | 0.654 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -51.1 | -43.2 | -177.2 | -94.1 | 171.3 | 177.2 | 0 | 0 | 114.6 | E183 R184 | E181-E183 PolarHBondContact O-N 3.43Å; E181-R184 WeakPolarHBondContact O-CB 3.34Å; E181-R184 PolarHBondContact O-N 3.14Å; E181-R184 IonicContact OE1-NH2 2.86Å; E181-R184 PolarHBondContact OE1-NH2 3.13Å |
| 182 | K | 61.5 | Low | 71.9 | Confident | 191 Ų | 191 | 87.8 Ų | 87.8 | 83% | 0.83 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.2 | -25.8 | -179.8 | -169.7 | 175.9 | 178.5 | 179 | 0 | 113.9 | M180 | M180-K182 VanDerWaalsContact C-N 3.29Å; M180-K182 PolarHBondContact O-N 2.93Å |
| 183 | E | 57.8 | Low | 69.8 | Low | 75 Ų | 75 | 92 Ų | 92 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -81.2 | -22.1 | 177.6 | -66.9 | 173.7 | 165 | 0 | 0 | 111.8 | R139 L179 M180 E181 Q187 | R139-E183 IonicContact CZ-OE1 3.77Å; R139-E183 IonicContact NE-OE1 3.02Å; R139-E183 PolarHBondContact NE-OE1 2.89Å; R139-E183 IonicContact NE-OE2 2.99Å; R139-E183 PolarHBondContact NE-OE2 3.42Å; R139-E183 VanDerWaalsContact NE-OE2 3.11Å; R139-E183 IonicContact NH2-OE1 2.6Å; R139-E183 PolarHBondContact NH2-OE1 3.36Å; L179-E183 HydrophobicContact CD2-CB 4.49Å; M180-E183 PolarHBondContact O-N 3.43Å; E181-E183 PolarHBondContact O-N 3.43Å; E183-Q187 PolarHBondContact O-N 3.4Å |
| 184 | R | 57.3 | Low | 67.4 | Low | 132 Ų | 132 | 101 Ų | 101 | 50% | 0.498 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 179.9 | -58.2 | -163.7 | -81.2 | -147.8 | 9.9 | 112.1 | E181 S188 | E181-R184 WeakPolarHBondContact O-CB 3.34Å; E181-R184 PolarHBondContact O-N 3.14Å; E181-R184 IonicContact OE1-NH2 2.86Å; E181-R184 PolarHBondContact OE1-NH2 3.13Å; R184-S188 PolarHBondContact O-N 3.44Å |
| 185 | D | 58.2 | Low | 64.6 | Low | 113 Ų | 113 | 104.7 Ų | 104.7 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.7 | -34.2 | -176.6 | -61.4 | -24.1 | 0 | 0 | 0 | 112.8 | S189 | D185-S189 PolarHBondContact O-N 3.34Å; D185-S189 VanDerWaalsContact O-N 3.13Å; D185-S189 PolarHBondContact O-OG 2.94Å |
| 186 | G | 58.6 | Low | 61.4 | Low | 40 Ų | 40 | 105.4 Ų | 105.4 | 41% | 0.412 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.2 | -33.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 187 | Q | 56.8 | Low | 58.6 | Low | 127 Ų | 127 | 113.8 Ų | 113.8 | 59% | 0.593 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75 | -30.8 | 177.1 | -160.8 | 78.1 | 44.2 | 0 | 0 | 112.2 | E183 | E183-Q187 PolarHBondContact O-N 3.4Å |
| 188 | S | 54.1 | Low | 55.6 | Low | 76 Ų | 76 | 117.8 Ų | 117.8 | 53% | 0.531 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.6 | -42.8 | 174.9 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | R184 N190 K191 S192 | R184-S188 PolarHBondContact O-N 3.44Å; S188-N190 VanDerWaalsContact C-N 3.27Å; S188-N190 PolarHBondContact O-N 3.13Å; S188-K191 PolarHBondContact O-N 3.4Å; S188-K191 VanDerWaalsContact O-N 3.15Å; S188-S192 PolarHBondContact O-OG 3.48Å |
| 189 | S | 53.3 | Low | 52.8 | Low | 76 Ų | 76 | 123.5 Ų | 123.5 | 53% | 0.531 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -63.9 | -28.7 | -177.9 | -58 | 0 | 0 | 0 | 0 | 113.8 | D185 | D185-S189 PolarHBondContact O-N 3.34Å; D185-S189 VanDerWaalsContact O-N 3.13Å; D185-S189 PolarHBondContact O-OG 2.94Å |
| 190 | N | 50.7 | Low | 50.1 | Low | 136 Ų | 136 | 128.1 Ų | 128.1 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -10.2 | 178.6 | -73.4 | -17.6 | 0 | 0 | 0 | 114.4 | S188 | S188-N190 VanDerWaalsContact C-N 3.27Å; S188-N190 PolarHBondContact O-N 3.13Å |
| 191 | K | 49.7 | Very low | 47.9 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -6 | 176.2 | -81 | -170.5 | 174.1 | -176.6 | 0 | 113.7 | S188 | S188-K191 PolarHBondContact O-N 3.4Å; S188-K191 VanDerWaalsContact O-N 3.15Å |
| 192 | S | 48.8 | Very low | 46.3 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -104.2 | 4.7 | -167.4 | -51.5 | 0 | 0 | 0 | 0 | 114.7 | S188 | S188-S192 PolarHBondContact O-OG 3.48Š|
| 193 | V | 47.7 | Very low | 45 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | trans | -119.8 | 60.7 | -179.5 | -166 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 194 | E | 44.7 | Very low | 43.8 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -152.4 | 96.8 | 157.7 | -133 | 174.3 | -171.8 | 0 | 0 | 109.5 | ||
| 195 | G | 38.2 | Very low | 42.8 | Very low | 86 Ų | 86 | 138.9 Ų | 138.9 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | 146.7 | 91.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 196 | G | 30.1 | Very low | 41.6 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 173.3 | 72.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 197 | K | 36.7 | Very low | 40.5 | Very low | 206 Ų | 206 | 142.1 Ų | 142.1 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 135 | 161.1 | -97.9 | 178.1 | 177.2 | 174.8 | 0 | 109.3 | ||
| 198 | P | 33.4 | Very low | 39.5 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 126.2 | 178 | 28.9 | -31.1 | 0 | 0 | 0 | 111.3 | ||
| 199 | K | 33.9 | Very low | 38.7 | Very low | 208 Ų | 208 | 152.6 Ų | 152.6 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 122.7 | 169.1 | -92.4 | -178.1 | 175.6 | 176.3 | 0 | 110.1 | ||
| 200 | T | 33.9 | Very low | 37.7 | Very low | 141 Ų | 141 | 158 Ų | 158 | 87% | 0.865 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 129.3 | 169.2 | -43.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 201 | R | 33 | Very low | 37.1 | Very low | 240 Ų | 240 | 159.2 Ų | 159.2 | 91% | 0.906 | 87% | 0.867 | S | S | * | * | trans | -89.9 | 112.2 | 173.4 | -115.8 | 179.1 | 178.7 | -178.7 | -0.2 | 109.4 | ||||
| 202 | Q | 34.5 | Very low | 36.4 | Very low | 193 Ų | 193 | 157.9 Ų | 157.9 | 90% | 0.902 | 87% | 0.871 | S | S | * | * | trans | -81.3 | 127.5 | 159.7 | -90.4 | 174.6 | -27.7 | 0 | 0 | 108.6 | ||||
| 203 | M | 33.9 | Very low | 35.7 | Very low | 185 Ų | 185 | 161.4 Ų | 161.4 | 91% | 0.911 | 88% | 0.882 | S | S | * | * | trans | -99.5 | 126.9 | 164.1 | -81.9 | -170.9 | 72.5 | 0 | 0 | 108.5 | ||||
| 204 | F | 32.6 | Very low | 35 | Very low | 197 Ų | 197 | 163.1 Ų | 163.1 | 86% | 0.864 | 89% | 0.887 | S | S | * | * | trans | -111.3 | 147.5 | 166.1 | -156.1 | -98 | 0 | 0 | 0 | 110.2 | ||||
| 205 | S | 35.5 | Very low | 34.4 | Very low | 83 Ų | 83 | 161 Ų | 161 | 58% | 0.58 | 89% | 0.885 | S | S | * | * | trans | -63.5 | 154.9 | -166.3 | 58.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 206 | T | 34.5 | Very low | 34.1 | Very low | 147 Ų | 147 | 166 Ų | 166 | 90% | 0.902 | 89% | 0.885 | S | S | * | * | trans | -133.9 | 112.2 | 147.8 | 49.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 207 | G | 33.8 | Very low | 34.4 | Very low | 74 Ų | 74 | 172.4 Ų | 172.4 | 76% | 0.763 | 89% | 0.892 | S | S | * | * | trans | -100.6 | 135.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 208 | K | 36.8 | Very low | 34.3 | Very low | 213 Ų | 213 | 169.8 Ų | 169.8 | 93% | 0.926 | 89% | 0.891 | S | S | * | * | trans | -155.3 | 123.4 | 154.4 | -139.3 | 163.3 | -175.1 | 174.2 | 0 | 110.6 | ||||
| 209 | K | 37.2 | Very low | 34.3 | Very low | 209 Ų | 209 | 173.4 Ų | 173.4 | 91% | 0.909 | 90% | 0.897 | S | S | * | * | trans | -68 | 142.7 | 173 | -68.9 | 171.8 | 171.9 | 179 | 0 | 110.7 | ||||
| 210 | S | 32.5 | Very low | 34.4 | Very low | 191 Ų | 191 | 170.3 Ų | 170.3 | 100% | 1.336 | 90% | 0.897 | S | S | * | * | -163 | 0 | 120.9 | -167.6 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 210 of 210 residues in 152 ms
(Link to these results)