| 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 | 35.3 | Very low | 38.7 | Very low | 216 Ų | 216 | 158.5 Ų | 158.5 | 100% | 1.064 | 84% | 0.835 | S | S | * | * | 0 | 90.9 | 0 | -76.2 | 84 | -178.7 | 0 | 0 | 107.5 | |||||
| 2 | E | 40.8 | Very low | 38.2 | Very low | 165 Ų | 165 | 153.4 Ų | 153.4 | 77% | 0.771 | 81% | 0.809 | S | S | * | * | 64.6 | 116.9 | 92.7 | -73.8 | 162.2 | 93.9 | 0 | 0 | 112.3 | |||||
| 3 | N | 29.1 | Very low | 38.8 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | -158.3 | 107.2 | 122.2 | -93.7 | -55.1 | 0 | 0 | 0 | 109.8 | |||||
| 4 | R | 45.2 | Very low | 38.8 | Very low | 242 Ų | 242 | 153 Ų | 153 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -63.6 | 125.4 | 166.8 | -94.7 | 165.6 | 157.3 | 166.1 | -7.2 | 109.1 | ||||
| 5 | A | 34.5 | Very low | 39.3 | Very low | 96 Ų | 96 | 148.1 Ų | 148.1 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -134.6 | 102.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 6 | L | 36.6 | Very low | 39.1 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -108.9 | 102.8 | 164.8 | -75.1 | 169.5 | 0 | 0 | 0 | 106.1 | ||||
| 7 | D | 35.6 | Very low | 38.9 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -84.8 | 152.9 | 170.8 | -167.5 | -108 | 0 | 0 | 0 | 109.5 | ||||
| 8 | P | 47.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -93.3 | 124.6 | -157.1 | 35.6 | -29.5 | 0 | 0 | 0 | 112.7 | ||||
| 9 | G | 35.7 | Very low | 39.1 | Very low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | 173.8 | 119.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 10 | T | 40.3 | Very low | 39 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | -162 | 136.5 | 63.7 | -50.9 | 0 | 0 | 0 | 0 | 107.2 | D12 | T10-D12 PolarHBondContact O-N 3.44Š| |||
| 11 | R | 45.5 | Very low | 39.1 | Very low | 230 Ų | 230 | 140.7 Ų | 140.7 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -76.4 | 79.6 | 178.1 | -160 | 170.9 | 83.4 | 170 | 7.5 | 108.1 | S13 | R11-S13 PolarHBondContact O-N 3Å; R11-S13 PolarHBondContact O-OG 3.14Å | ||
| 12 | D | 32.4 | Very low | 39.4 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 52% | 0.524 | 77% | 0.766 | S | S | . | * | trans | -73.5 | 100.5 | -179.7 | -67.6 | -49 | 0 | 0 | 0 | 110.8 | T10 Y14 | T10-D12 PolarHBondContact O-N 3.44Å; D12-Y14 HydrophobicContact CB-CD2 4Å; D12-Y14 HydrophobicContact CB-CE2 3.37Å; D12-Y14 PolarHBondContact O-N 3.28Å | ||
| 13 | S | 46.3 | Very low | 39.4 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -78.3 | 94.8 | 170 | -53.5 | 0 | 0 | 0 | 0 | 107.5 | R11 G15 | R11-S13 PolarHBondContact O-N 3Å; R11-S13 PolarHBondContact O-OG 3.14Å; S13-G15 PolarHBondContact O-N 2.95Å | ||
| 14 | Y | 39.3 | Very low | 39.8 | Very low | 200 Ų | 200 | 132.1 Ų | 132.1 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | trans | -90.1 | 96.5 | 169.2 | -66.1 | -72.2 | 0 | 0 | 0 | 109.3 | D12 | D12-Y14 HydrophobicContact CB-CD2 4Å; D12-Y14 HydrophobicContact CB-CE2 3.37Å; D12-Y14 PolarHBondContact O-N 3.28Å | ||
| 15 | G | 45.2 | Very low | 39.6 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | trans | -82.9 | 124.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | S13 | S13-G15 PolarHBondContact O-N 2.95Š| ||
| 16 | A | 35.9 | Very low | 40 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | trans | -161.2 | 116.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 17 | T | 35.8 | Very low | 40.3 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | 60.9 | 84.2 | 151 | 72 | 0 | 0 | 0 | 0 | 118.2 | H19 | T17-H19 VanDerWaalsContact C-N 3.32Å; T17-H19 PolarHBondContact O-N 3.38Å | ||
| 18 | S | 40.2 | Very low | 40.6 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | trans | -58.7 | 89.8 | 154.4 | -38.8 | 0 | 0 | 0 | 0 | 110 | L20 | S18-L20 VanDerWaalsContact C-N 3.28Å; S18-L20 PolarHBondContact O-N 2.96Å | ||
| 19 | H | 42.1 | Very low | 40.7 | Very low | 176 Ų | 176 | 117.8 Ų | 117.8 | 82% | 0.815 | 69% | 0.687 | S | S | * | * | trans | -65.6 | 97.7 | 155.5 | -97.1 | -90 | 0 | 0 | 0 | 106.7 | T17 P21 | T17-H19 VanDerWaalsContact C-N 3.32Å; T17-H19 PolarHBondContact O-N 3.38Å; H19-P21 VanDerWaalsContact O-CD 3.24Å; H19-P21 WeakPolarHBondContact O-CD 3.24Å; H19-P21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | L | 37.4 | Very low | 41.3 | Very low | 129 Ų | 129 | 121 Ų | 121 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | trans | -54.3 | 117.8 | 170.2 | -93.2 | 81.3 | 0 | 0 | 0 | 107.9 | S18 N22 | S18-L20 VanDerWaalsContact C-N 3.28Å; S18-L20 PolarHBondContact O-N 2.96Å; L20-N22 PolarHBondContact O-N 3.27Å | ||
| 21 | P | 40.4 | Very low | 41.7 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | trans | -66.8 | 126.8 | 162 | 14.6 | -5.3 | 0 | 0 | 0 | 106.8 | H19 K23 | H19-P21 VanDerWaalsContact O-CD 3.24Å; H19-P21 WeakPolarHBondContact O-CD 3.24Å; H19-P21 VanDerWaalsContact O-N 3.14Å; P21-K23 PolarHBondContact O-N 2.06Å; P21-K23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | N | 41.7 | Very low | 42.3 | Very low | 131 Ų | 131 | 114.2 Ų | 114.2 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | trans | -38.9 | 117.8 | 172.6 | -169.5 | -22.4 | 0 | 0 | 0 | 110.6 | L20 G24 A25 | L20-N22 PolarHBondContact O-N 3.27Å; N22-G24 PolarHBondContact O-N 3.48Å; N22-G24 PolarHBondContact OD1-N 2.76Å; N22-A25 PolarHBondContact O-N 3.36Å | ||
| 23 | K | 41.8 | Very low | 43.6 | Very low | 181 Ų | 181 | 112.2 Ų | 112.2 | 79% | 0.787 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -16.1 | -173.6 | -69.6 | 177.7 | 177.5 | 176.5 | 0 | 113.3 | P21 | P21-K23 PolarHBondContact O-N 2.06Å; P21-K23 VanDerWaalsContact O-N 3.14Å |
| 24 | G | 36.5 | Very low | 44.2 | Very low | 59 Ų | 59 | 114.7 Ų | 114.7 | 61% | 0.608 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -24.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | N22 | N22-G24 PolarHBondContact O-N 3.48Å; N22-G24 PolarHBondContact OD1-N 2.76Å |
| 25 | A | 41.9 | Very low | 45.2 | Very low | 56 Ų | 56 | 109.7 Ų | 109.7 | 46% | 0.463 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -79.9 | -26 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N22 A27 K28 V29 | N22-A25 PolarHBondContact O-N 3.36Å; A25-A27 VanDerWaalsContact C-N 3.29Å; A25-A27 PolarHBondContact O-N 2.89Å; A25-K28 PolarHBondContact O-N 2.9Å; A25-V29 WeakPolarHBondContact O-CG2 3.41Å; A25-V29 PolarHBondContact O-N 3.28Å |
| 26 | L | 42.5 | Very low | 46 | Very low | 115 Ų | 115 | 107.4 Ų | 107.4 | 60% | 0.602 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.6 | -27.3 | -173.6 | -168.6 | 67.7 | 0 | 0 | 0 | 113.6 | K30 | L26-K30 WeakPolarHBondContact O-CG 2.92Å |
| 27 | A | 42 | Very low | 47.3 | Very low | 67 Ų | 67 | 106 Ų | 106 | 55% | 0.554 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -78.4 | -34.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A25 | A25-A27 VanDerWaalsContact C-N 3.29Å; A25-A27 PolarHBondContact O-N 2.89Å |
| 28 | K | 41.6 | Very low | 48.5 | Very low | 169 Ų | 169 | 105 Ų | 105 | 74% | 0.735 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -79.6 | -31.3 | -176 | -157.8 | 159.2 | -174.6 | 170.1 | 0 | 112.9 | A25 K30 | A25-K28 PolarHBondContact O-N 2.9Å; K28-K30 VanDerWaalsContact C-N 3.31Å; K28-K30 PolarHBondContact O-N 3.25Å |
| 29 | V | 50.6 | Low | 49.7 | Very low | 73 Ų | 73 | 103.7 Ų | 103.7 | 44% | 0.442 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.6 | -29.8 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | A25 N31 N32 F33 | A25-V29 WeakPolarHBondContact O-CG2 3.41Å; A25-V29 PolarHBondContact O-N 3.28Å; V29-N31 VanDerWaalsContact C-N 3.29Å; V29-N31 PolarHBondContact O-N 3.48Å; V29-N32 PolarHBondContact O-N 3.44Å; V29-F33 HydrophobicContact CB-CE2 4.41Å; V29-F33 HydrophobicContact CG1-CD2 4.17Å; V29-F33 HydrophobicContact CG1-CE2 3.36Å; V29-F33 HydrophobicContact CG1-CZ 3.62Å; V29-F33 VanDerWaalsContact O-CD2 3.22Å; V29-F33 WeakPolarHBondContact O-CD2 3.24Å; V29-F33 PolarHBondContact O-N 3.49Å |
| 30 | K | 48.2 | Very low | 51.4 | Low | 134 Ų | 134 | 95.9 Ų | 95.9 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -32.7 | -179.5 | -76.6 | 175.8 | 178.7 | -175.9 | 0 | 113.8 | L26 K28 | L26-K30 WeakPolarHBondContact O-CG 2.92Å; K28-K30 VanDerWaalsContact C-N 3.31Å; K28-K30 PolarHBondContact O-N 3.25Å |
| 31 | N | 49.3 | Very low | 53.6 | Low | 130 Ų | 130 | 93.9 Ų | 93.9 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -78.8 | -29.4 | -179.3 | -72.8 | 45.6 | 0 | 0 | 0 | 112.4 | V29 F33 | V29-N31 VanDerWaalsContact C-N 3.29Å; V29-N31 PolarHBondContact O-N 3.48Å; N31-F33 VanDerWaalsContact C-N 3.34Å; N31-F33 PolarHBondContact O-N 2.92Å |
| 32 | N | 56.4 | Low | 55.8 | Low | 72 Ų | 72 | 94.4 Ų | 94.4 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.3 | -28.1 | 175.8 | -91.2 | 61.6 | 0 | 0 | 0 | 113.3 | V29 K34 D35 L36 N100 | V29-N32 PolarHBondContact O-N 3.44Å; N32-K34 VanDerWaalsContact C-N 3.31Å; N32-K34 PolarHBondContact O-N 3.08Å; N32-D35 PolarHBondContact O-N 3.06Å; N32-L36 WeakPolarHBondContact O-CB 3.33Å; N32-L36 PolarHBondContact O-N 2.86Å; N32-N100 PolarHBondContact ND2-O 2.98Å |
| 33 | F | 60.4 | Low | 58 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 25% | 0.246 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.1 | -30.1 | -177.7 | -75.6 | -56.4 | 0 | 0 | 0 | 113.9 | V29 N31 L36 M37 K85 | V29-F33 HydrophobicContact CB-CE2 4.41Å; V29-F33 HydrophobicContact CG1-CD2 4.17Å; V29-F33 HydrophobicContact CG1-CE2 3.36Å; V29-F33 HydrophobicContact CG1-CZ 3.62Å; V29-F33 VanDerWaalsContact O-CD2 3.22Å; V29-F33 WeakPolarHBondContact O-CD2 3.24Å; V29-F33 PolarHBondContact O-N 3.49Å; N31-F33 VanDerWaalsContact C-N 3.34Å; N31-F33 PolarHBondContact O-N 2.92Å; F33-L36 HydrophobicContact CD1-CD2 3.9Å; F33-L36 HydrophobicContact CE1-CD2 4.15Å; F33-L36 WeakPolarHBondContact O-CB 3.44Å; F33-L36 PolarHBondContact O-N 3.05Å; F33-M37 WeakPolarHBondContact O-CG 3.26Å; F33-M37 PolarHBondContact O-N 2.96Å; F33-K85 HydrophobicContact CE1-CB 3.98Å; F33-K85 HydrophobicContact CE2-CB 4.1Å; F33-K85 HydrophobicContact CZ-CB 3.64Å |
| 34 | K | 58.3 | Low | 60.2 | Low | 152 Ų | 152 | 82.7 Ų | 82.7 | 66% | 0.661 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.5 | -38 | 174.6 | -89.3 | 179.5 | 169.5 | -176.9 | 0 | 112.3 | N32 M37 S38 | N32-K34 VanDerWaalsContact C-N 3.31Å; N32-K34 PolarHBondContact O-N 3.08Å; K34-M37 HydrophobicContact CB-CE 4Å; K34-M37 HydrophobicContact CG-CE 3.41Å; K34-M37 VanDerWaalsContact CG-CE 3.41Å; K34-M37 WeakPolarHBondContact O-CB 3.22Å; K34-M37 PolarHBondContact O-N 3.25Å; K34-S38 PolarHBondContact O-OG 3.4Å |
| 35 | D | 61.3 | Low | 62.7 | Low | 95 Ų | 95 | 86 Ų | 86 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.3 | -35.8 | 176 | -143.7 | -97.3 | 0 | 0 | 0 | 111.2 | N32 M37 S38 | N32-D35 PolarHBondContact O-N 3.06Å; D35-M37 VanDerWaalsContact C-N 3.32Å; D35-M37 PolarHBondContact O-N 3.01Å; D35-S38 PolarHBondContact O-N 3.37Å |
| 36 | L | 62.4 | Low | 65 | Low | 32 Ų | 32 | 83.4 Ų | 83.4 | 17% | 0.168 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 173.6 | -148.5 | 71.2 | 0 | 0 | 0 | 111.4 | N32 F33 S38 K39 L40 I87 H89 | N32-L36 WeakPolarHBondContact O-CB 3.33Å; N32-L36 PolarHBondContact O-N 2.86Å; F33-L36 HydrophobicContact CD1-CD2 3.9Å; F33-L36 HydrophobicContact CE1-CD2 4.15Å; F33-L36 WeakPolarHBondContact O-CB 3.44Å; F33-L36 PolarHBondContact O-N 3.05Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 3.47Å; L36-K39 PolarHBondContact O-N 3.31Å; L36-K39 VanDerWaalsContact O-N 3.16Å; L36-L40 WeakPolarHBondContact O-CG 2.92Å; L36-L40 PolarHBondContact O-N 3.38Å; L36-I87 WeakPolarHBondContact CD2-O 3.19Å; L36-H89 WeakPolarHBondContact CD1-ND1 3.43Å; L36-H89 PolarHBondContact O-CE1 2.79Å; L36-H89 VanDerWaalsContact O-CE1 3.32Å |
| 37 | M | 61.4 | Low | 67.3 | Low | 58 Ų | 58 | 80.6 Ų | 80.6 | 29% | 0.286 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.3 | -44 | 175.3 | -75.3 | -166.5 | -94.8 | 0 | 0 | 113 | F33 K34 D35 K39 L40 W84 | F33-M37 WeakPolarHBondContact O-CG 3.26Å; F33-M37 PolarHBondContact O-N 2.96Å; K34-M37 HydrophobicContact CB-CE 4Å; K34-M37 HydrophobicContact CG-CE 3.41Å; K34-M37 VanDerWaalsContact CG-CE 3.41Å; K34-M37 WeakPolarHBondContact O-CB 3.22Å; K34-M37 PolarHBondContact O-N 3.25Å; D35-M37 VanDerWaalsContact C-N 3.32Å; D35-M37 PolarHBondContact O-N 3.01Å; M37-K39 PolarHBondContact O-N 3.43Å; M37-K39 VanDerWaalsContact O-N 3.13Å; M37-L40 PolarHBondContact O-N 3.43Å; M37-W84 HydrophobicContact CE-CZ3 3.98Å; M37-W84 HydrophobicContact CG-CD2 3.92Å; M37-W84 HydrophobicContact CG-CE3 3.42Å; M37-W84 VanDerWaalsContact CG-CE3 3.42Å; M37-W84 HydrophobicContact CG-CH2 3.57Å; M37-W84 HydrophobicContact CG-CZ2 4.04Å; M37-W84 HydrophobicContact CG-CZ3 3.29Å; M37-W84 HydrophobicContact SD-CE3 3.73Å; M37-W84 HydrophobicContact SD-CH2 3.05Å; M37-W84 WeakPolarHBondContact SD-CH2 3.05Å; M37-W84 HydrophobicContact SD-CZ2 4.02Å; M37-W84 HydrophobicContact SD-CZ3 2.92Å; M37-W84 WeakPolarHBondContact SD-CZ3 3.43Å |
| 38 | S | 61.4 | Low | 69.6 | Low | 101 Ų | 101 | 77.4 Ų | 77.4 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.2 | -16.4 | -176.3 | -52.3 | 0 | 0 | 0 | 0 | 112.7 | K34 D35 L36 | K34-S38 PolarHBondContact O-OG 3.4Å; D35-S38 PolarHBondContact O-N 3.37Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 3.47Å |
| 39 | K | 66.9 | Low | 72.1 | Confident | 83 Ų | 83 | 74.5 Ų | 74.5 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -102.3 | -17.1 | -177.8 | -64 | -176.4 | -176.7 | -165.7 | 0 | 113.6 | L36 M37 T41 Q44 H89 | L36-K39 PolarHBondContact O-N 3.31Å; L36-K39 VanDerWaalsContact O-N 3.16Å; M37-K39 PolarHBondContact O-N 3.43Å; M37-K39 VanDerWaalsContact O-N 3.13Å; K39-T41 PolarHBondContact O-N 3.38Å; K39-T41 VanDerWaalsContact O-N 3.14Å; K39-T41 PolarHBondContact O-OG1 2.8Å; K39-Q44 PolarHBondContact O-OE1 3.04Å; K39-H89 WeakPolarHBondContact CB-NE2 3.11Å |
| 40 | L | 77.3 | Confident | 74 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | trans | -74 | 105.3 | -178.6 | -67.1 | 171.9 | 0 | 0 | 0 | 110.8 | L36 M37 V46 I60 W84 I87 H89 | L36-L40 WeakPolarHBondContact O-CG 2.92Å; L36-L40 PolarHBondContact O-N 3.38Å; M37-L40 PolarHBondContact O-N 3.43Å; L40-V46 HydrophobicContact CD2-CG1 4.13Å; L40-I60 HydrophobicContact CB-CD1 4.01Å; L40-I60 HydrophobicContact CD2-CD1 3.65Å; L40-I60 HydrophobicContact CG-CD1 4.38Å; L40-W84 HydrophobicContact CD1-CG 4.25Å; L40-I87 HydrophobicContact CD2-CG2 3.75Å; L40-H89 WeakPolarHBondContact CD2-CE1 3.3Å | ||
| 41 | T | 82.5 | Confident | 75.8 | Confident | 86 Ų | 86 | 75.5 Ų | 75.5 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | trans | -109.1 | 144.7 | -179.2 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | K39 G43 Q44 | K39-T41 PolarHBondContact O-N 3.38Å; K39-T41 VanDerWaalsContact O-N 3.14Å; K39-T41 PolarHBondContact O-OG1 2.8Å; T41-G43 PolarHBondContact O-N 2.78Å; T41-Q44 WeakPolarHBondContact O-CB 3.42Å; T41-Q44 PolarHBondContact O-N 2.9Å | ||
| 42 | E | 88.2 | Confident | 77.8 | Confident | 120 Ų | 120 | 73.3 Ų | 73.3 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 136.8 | 172 | -63.3 | -173.7 | 173.1 | 0 | 0 | 110.8 | Q44 | E42-Q44 VanDerWaalsContact C-N 3.31Š|
| 43 | G | 87.3 | Confident | 79.4 | Confident | 36 Ų | 36 | 72 Ų | 72 | 37% | 0.371 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -7.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | T41 K59 I60 | T41-G43 PolarHBondContact O-N 2.78Å; G43-K59 WeakPolarHBondContact O-CE 3.38Å; G43-I60 PolarHBondContact N-O 3.23Å |
| 44 | Q | 87.4 | Confident | 80.9 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 14% | 0.136 | 39% | 0.39 | C | S | . | . | trans | -75.6 | 144.7 | 177.2 | -171 | 173.4 | -7.7 | 0 | 0 | 112.1 | K39 T41 E42 K59 I60 H89 | K39-Q44 PolarHBondContact O-OE1 3.04Å; T41-Q44 WeakPolarHBondContact O-CB 3.42Å; T41-Q44 PolarHBondContact O-N 2.9Å; E42-Q44 VanDerWaalsContact C-N 3.31Å; Q44-K59 WeakPolarHBondContact O-CA 3.45Å; Q44-I60 HydrophobicContact CB-CD1 4.43Å; Q44-I60 PolarHBondContact O-N 3.28Å; Q44-H89 PolarHBondContact NE2-CD2 3.23Å; Q44-H89 VanDerWaalsContact NE2-CD2 3.31Å | ||
| 45 | Y | 88.9 | Confident | 82.5 | Confident | 130 Ų | 130 | 72.4 Ų | 72.4 | 51% | 0.51 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 133.2 | 170.9 | -68.4 | -82.3 | 0 | 0 | 0 | 110.7 | L57 G58 K59 | Y45-L57 HydrophobicContact CD1-CD1 4.41Å; Y45-L57 HydrophobicContact CD1-CG 4.48Å; Y45-G58 CarbonylContact C-O 3.53Å; Y45-G58 WeakPolarHBondContact CA-O 3.35Å; Y45-K59 HydrophobicContact CD1-CB 4.15Å; Y45-K59 HydrophobicContact CE1-CB 4.01Å; Y45-K59 HydrophobicContact CE1-CD 4.17Å; Y45-K59 HydrophobicContact CE1-CG 4.29Å |
| 46 | V | 89.6 | Confident | 84 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157.8 | -178.5 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | L40 G58 I60 V72 I87 | L40-V46 HydrophobicContact CD2-CG1 4.13Å; V46-G58 PolarHBondContact N-O 3.37Å; V46-G58 PolarHBondContact O-N 3.16Å; V46-I60 HydrophobicContact CG1-CD1 3.78Å; V46-I60 HydrophobicContact CG1-CG1 4.1Å; V46-I60 HydrophobicContact CG2-CD1 4.41Å; V46-I60 HydrophobicContact CG2-CG1 3.9Å; V46-V72 HydrophobicContact CG2-CG1 4.46Å; V46-V72 HydrophobicContact CG2-CG2 4.47Å; V46-I87 HydrophobicContact CB-CG2 3.75Å; V46-I87 HydrophobicContact CG1-CG2 3.9Å; V46-I87 HydrophobicContact CG2-CG2 3.93Å |
| 47 | L | 90.9 | Very high | 85.4 | Confident | 56 Ų | 56 | 73.5 Ų | 73.5 | 29% | 0.293 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.9 | 171.3 | -66.8 | 172.9 | 0 | 0 | 0 | 108.7 | Y55 Y56 L57 Q88 | L47-Y55 HydrophobicContact CB-CD1 4.01Å; L47-Y56 CarbonylContact C-O 3.59Å; L47-Y56 WeakPolarHBondContact CA-O 3.44Å; L47-L57 HydrophobicContact CD2-CB 4.45Å; L47-L57 HydrophobicContact CD2-CD1 4.19Å; L47-Q88 HydrophobicContact CB-CB 4.31Å; L47-Q88 PolarHBondContact N-O 3.33Å; L47-Q88 PolarHBondContact O-N 2.79Å |
| 48 | C | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.5 | -179.1 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | Y55 Y56 F74 V82 D86 | C48-Y55 CarbonylContact O-C 3.57Å; C48-Y55 WeakPolarHBondContact O-CA 3.12Å; C48-Y56 PolarHBondContact N-O 3.02Å; C48-Y56 PolarHBondContact O-N 3.43Å; C48-F74 HydrophobicContact CB-CE1 3.77Å; C48-F74 HydrophobicContact CB-CZ 3.97Å; C48-V82 HydrophobicContact CB-CG1 4.02Å; C48-V82 HydrophobicContact CB-CG2 4.3Å; C48-D86 CarbonylContact C-O 3.55Å; C48-D86 WeakPolarHBondContact CA-O 3.43Å |
| 49 | R | 92.8 | Very high | 88.4 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 41% | 0.408 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127.2 | 173.9 | -170.4 | 178.3 | 64.3 | 169.3 | -0.9 | 110.4 | L54 Y55 D86 | R49-L54 CarbonylContact C-O 3.59Å; R49-L54 WeakPolarHBondContact CA-O 3.42Å; R49-Y55 HydrophobicContact CB-CD1 4.14Å; R49-Y55 HydrophobicContact CB-CE1 3.81Å; R49-Y55 HydrophobicContact CG-CE1 4.46Å; R49-Y55 HydrophobicContact CG-CE2 4.38Å; R49-D86 HydrophobicContact CB-CB 4.28Å; R49-D86 IonicContact CZ-OD1 3.53Å; R49-D86 PolarHBondContact N-O 3.11Å; R49-D86 IonicContact NE-OD1 3.38Å; R49-D86 PolarHBondContact NE-OD1 2.81Å; R49-D86 IonicContact NH2-OD1 2.8Å; R49-D86 PolarHBondContact NH2-OD1 2.9Å |
| 50 | W | 90.2 | Very high | 89.6 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 35% | 0.345 | 34% | 0.335 | S | S | . | . | trans | -100 | -179.5 | 178.7 | -154.8 | -115.4 | 0 | 0 | 0 | 112.4 | D52 G53 L54 Y56 F74 Y80 | W50-D52 WeakPolarHBondContact CB-OD1 3.21Å; W50-D52 PolarHBondContact O-N 3.2Å; W50-G53 PolarHBondContact O-N 3.18Å; W50-L54 PolarHBondContact N-O 3.13Å; W50-Y56 HydrophobicContact CB-CD2 3.61Å; W50-Y56 HydrophobicContact CB-CE2 3.39Å; W50-Y56 HydrophobicContact CG-CD2 4.35Å; W50-Y56 HydrophobicContact CG-CE2 4.06Å; W50-F74 HydrophobicContact CE3-CZ 4.42Å; W50-F74 HydrophobicContact CZ3-CE2 4.37Å; W50-F74 HydrophobicContact CZ3-CZ 4.07Å; W50-Y80 HydrophobicContact CH2-CD1 4.13Å; W50-Y80 AromaticContact CH2-CD2 3.75Å; W50-Y80 HydrophobicContact CH2-CD2 3.75Å; W50-Y80 HydrophobicContact CH2-CE2 4.18Å; W50-Y80 AromaticContact CH2-CG 3.72Å; W50-Y80 HydrophobicContact CH2-CG 3.72Å; W50-Y80 HydrophobicContact CZ3-CD2 4.43Å; W50-Y80 HydrophobicContact CZ3-CG 4.38Å | ||
| 51 | T | 87.4 | Confident | 90.4 | Very high | 138 Ų | 138 | 72.2 Ų | 72.2 | 85% | 0.847 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19.8 | -175.7 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 52 | D | 91.4 | Very high | 90.8 | Very high | 84 Ų | 84 | 75.8 Ų | 75.8 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -4.6 | 170.9 | 49.3 | 31.3 | 0 | 0 | 0 | 113.1 | W50 L54 Y56 | W50-D52 WeakPolarHBondContact CB-OD1 3.21Å; W50-D52 PolarHBondContact O-N 3.2Å; D52-L54 VanDerWaalsContact C-N 3.27Å; D52-L54 PolarHBondContact O-N 3.32Å; D52-L54 WeakPolarHBondContact OD1-CB 3.2Å; D52-L54 PolarHBondContact OD1-N 3.23Å; D52-Y56 PolarHBondContact OD2-OH 3.24Å |
| 53 | G | 89.2 | Confident | 90.8 | Very high | 43 Ų | 43 | 72 Ų | 72 | 44% | 0.443 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 80.8 | 1.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W50 | W50-G53 PolarHBondContact O-N 3.18Š|
| 54 | L | 92.3 | Very high | 90.9 | Very high | 104 Ų | 104 | 71.2 Ų | 71.2 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | trans | -84.1 | 159.1 | 175.5 | -58.7 | 179.3 | 0 | 0 | 0 | 111.2 | R49 W50 D52 Y56 | R49-L54 CarbonylContact C-O 3.59Å; R49-L54 WeakPolarHBondContact CA-O 3.42Å; W50-L54 PolarHBondContact N-O 3.13Å; D52-L54 VanDerWaalsContact C-N 3.27Å; D52-L54 PolarHBondContact O-N 3.32Å; D52-L54 WeakPolarHBondContact OD1-CB 3.2Å; D52-L54 PolarHBondContact OD1-N 3.23Å; L54-Y56 HydrophobicContact CB-CE2 3.8Å | ||
| 55 | Y | 91.1 | Very high | 90.6 | Very high | 114 Ų | 114 | 74 Ų | 74 | 45% | 0.447 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.6 | 177.8 | -73.7 | -95.3 | 0 | 0 | 0 | 110.5 | L47 C48 R49 Q88 | L47-Y55 HydrophobicContact CB-CD1 4.01Å; C48-Y55 CarbonylContact O-C 3.57Å; C48-Y55 WeakPolarHBondContact O-CA 3.12Å; R49-Y55 HydrophobicContact CB-CD1 4.14Å; R49-Y55 HydrophobicContact CB-CE1 3.81Å; R49-Y55 HydrophobicContact CG-CE1 4.46Å; R49-Y55 HydrophobicContact CG-CE2 4.38Å; Y55-Q88 HydrophobicContact CE1-CB 4.21Å; Y55-Q88 VanDerWaalsContact CE1-OE1 3.26Å |
| 56 | Y | 92.6 | Very high | 90.4 | Very high | 89 Ų | 89 | 73.3 Ų | 73.3 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.9 | -179.1 | -65.2 | -91.9 | 0 | 0 | 0 | 109.9 | L47 C48 W50 D52 L54 | L47-Y56 CarbonylContact C-O 3.59Å; L47-Y56 WeakPolarHBondContact CA-O 3.44Å; C48-Y56 PolarHBondContact N-O 3.02Å; C48-Y56 PolarHBondContact O-N 3.43Å; W50-Y56 HydrophobicContact CB-CD2 3.61Å; W50-Y56 HydrophobicContact CB-CE2 3.39Å; W50-Y56 HydrophobicContact CG-CD2 4.35Å; W50-Y56 HydrophobicContact CG-CE2 4.06Å; D52-Y56 PolarHBondContact OD2-OH 3.24Å; L54-Y56 HydrophobicContact CB-CE2 3.8Å |
| 57 | L | 92.1 | Very high | 90.1 | Very high | 60 Ų | 60 | 80.7 Ų | 80.7 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 132.9 | 174.1 | -173.8 | 63.5 | 0 | 0 | 0 | 109.7 | Y45 L47 E75 | Y45-L57 HydrophobicContact CD1-CD1 4.41Å; Y45-L57 HydrophobicContact CD1-CG 4.48Å; L47-L57 HydrophobicContact CD2-CB 4.45Å; L47-L57 HydrophobicContact CD2-CD1 4.19Å; L57-E75 HydrophobicContact CB-CG 4.3Å |
| 58 | G | 93.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 83.8 Ų | 83.8 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 155.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y45 V46 V72 T73 | Y45-G58 CarbonylContact C-O 3.53Å; Y45-G58 WeakPolarHBondContact CA-O 3.35Å; V46-G58 PolarHBondContact N-O 3.37Å; V46-G58 PolarHBondContact O-N 3.16Å; G58-V72 VanDerWaalsContact CA-CG1 3.49Å; G58-T73 CarbonylContact C-O 3.54Å; G58-T73 WeakPolarHBondContact CA-O 3.44Å |
| 59 | K | 93.1 | Very high | 89.8 | Confident | 90 Ų | 90 | 84 Ų | 84 | 39% | 0.391 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.3 | 177.4 | -171 | 174.4 | -173.3 | 169.1 | 0 | 110.3 | G43 Q44 Y45 K61 V72 T73 | G43-K59 WeakPolarHBondContact O-CE 3.38Å; Q44-K59 WeakPolarHBondContact O-CA 3.45Å; Y45-K59 HydrophobicContact CD1-CB 4.15Å; Y45-K59 HydrophobicContact CE1-CB 4.01Å; Y45-K59 HydrophobicContact CE1-CD 4.17Å; Y45-K59 HydrophobicContact CE1-CG 4.29Å; K59-K61 PolarHBondContact O-N 3.29Å; K59-V72 WeakPolarHBondContact O-CA 3.48Å; K59-T73 PolarHBondContact N-O 2.8Å; K59-T73 PolarHBondContact O-N 2.85Å |
| 60 | I | 91.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 121.8 | 176.6 | -59.4 | 179.1 | 0 | 0 | 0 | 108.7 | L40 G43 Q44 V46 V63 C70 | L40-I60 HydrophobicContact CB-CD1 4.01Å; L40-I60 HydrophobicContact CD2-CD1 3.65Å; L40-I60 HydrophobicContact CG-CD1 4.38Å; G43-I60 PolarHBondContact N-O 3.23Å; Q44-I60 HydrophobicContact CB-CD1 4.43Å; Q44-I60 PolarHBondContact O-N 3.28Å; V46-I60 HydrophobicContact CG1-CD1 3.78Å; V46-I60 HydrophobicContact CG1-CG1 4.1Å; V46-I60 HydrophobicContact CG2-CD1 4.41Å; V46-I60 HydrophobicContact CG2-CG1 3.9Å; I60-V63 HydrophobicContact CG2-CG2 3.78Å; I60-C70 HydrophobicContact CG2-CB 4.38Å |
| 61 | K | 93.3 | Very high | 89.9 | Confident | 135 Ų | 135 | 76.2 Ų | 76.2 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -34.2 | 175.3 | -167.1 | 65.5 | 178.5 | 175.6 | 0 | 111.9 | K59 L71 | K59-K61 PolarHBondContact O-N 3.29Å; K61-L71 HydrophobicContact CB-CD2 4.26Å; K61-L71 HydrophobicContact CB-CG 4.26Å; K61-L71 HydrophobicContact CG-CD2 4.36Å; K61-L71 PolarHBondContact N-O 3.33Å |
| 62 | R | 91.4 | Very high | 90.2 | Very high | 160 Ų | 160 | 69.6 Ų | 69.6 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 146.1 | 179.5 | -163.7 | 172.9 | -178.3 | 176.7 | 1.9 | 110.7 | C70 L71 | R62-C70 CarbonylContact O-C 3.59Å; R62-C70 WeakPolarHBondContact O-CA 3.43Å; R62-L71 HydrophobicContact CB-CB 4.07Å; R62-L71 PolarHBondContact N-O 2.89Å; R62-L71 PolarHBondContact O-N 3.49Å |
| 63 | V | 89.4 | Confident | 90.4 | Very high | 42 Ų | 42 | 66.8 Ų | 66.8 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.4 | 174.8 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | I60 W84 | I60-V63 HydrophobicContact CG2-CG2 3.78Å; V63-W84 HydrophobicContact CG1-CZ2 4.28Å |
| 64 | S | 87.9 | Confident | 90.6 | Very high | 19 Ų | 19 | 65.5 Ų | 65.5 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 102 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | S66 Q68 S69 W81 W84 | S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 3.35Å; S64-S66 PolarHBondContact OG-OG 3.44Å; S64-Q68 PolarHBondContact O-N 3.17Å; S64-Q68 VanDerWaalsContact O-N 3.17Å; S64-S69 CarbonylContact C-O 3.52Å; S64-S69 WeakPolarHBondContact CA-O 3.2Å; S64-S69 WeakPolarHBondContact CB-O 3.35Å; S64-S69 PolarHBondContact N-O 2.94Å; S64-S69 PolarHBondContact O-N 3.44Å; S64-W81 VanDerWaalsContact CB-CZ3 3.46Å; S64-W84 WeakPolarHBondContact O-CZ2 3.43Å |
| 65 | S | 82.4 | Confident | 90.6 | Very high | 88 Ų | 88 | 68 Ų | 68 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29.6 | 178.3 | -45.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 66 | S | 83.6 | Confident | 90.7 | Very high | 114 Ų | 114 | 68 Ų | 68 | 80% | 0.797 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -33.4 | -179.3 | 26.3 | 0 | 0 | 0 | 0 | 113.3 | S64 | S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 3.35Å; S64-S66 PolarHBondContact OG-OG 3.44Å |
| 67 | K | 84.1 | Confident | 90.6 | Very high | 155 Ų | 155 | 69.7 Ų | 69.7 | 67% | 0.674 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 3.9 | 178.2 | -66.6 | -173.6 | 177.7 | -180 | 0 | 113.7 | S69 | K67-S69 WeakPolarHBondContact CB-OG 3.22Å; K67-S69 PolarHBondContact O-N 2.99Å |
| 68 | Q | 86.6 | Confident | 90.6 | Very high | 121 Ų | 121 | 68.1 Ų | 68.1 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 41.8 | -175.2 | -55.3 | -163.5 | -66.4 | 0 | 0 | 112.9 | S64 W84 | S64-Q68 PolarHBondContact O-N 3.17Å; S64-Q68 VanDerWaalsContact O-N 3.17Å; Q68-W84 VanDerWaalsContact C-CE2 3.43Å; Q68-W84 HydrophobicContact CB-CD2 3.96Å; Q68-W84 HydrophobicContact CB-CE3 3.48Å; Q68-W84 VanDerWaalsContact CB-CE3 3.48Å; Q68-W84 HydrophobicContact CB-CH2 4.21Å; Q68-W84 HydrophobicContact CB-CZ3 3.56Å; Q68-W84 HydrophobicContact CG-CE3 3.93Å; Q68-W84 HydrophobicContact CG-CH2 4.18Å; Q68-W84 HydrophobicContact CG-CZ3 3.52Å; Q68-W84 VanDerWaalsContact O-CG 3.28Å; Q68-W84 PolarHBondContact O-N 3.14Å |
| 69 | S | 89.4 | Confident | 90.7 | Very high | 6 Ų | 6 | 73.4 Ų | 73.4 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 154.9 | -174.8 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | S64 K67 W81 V82 | S64-S69 CarbonylContact C-O 3.52Å; S64-S69 WeakPolarHBondContact CA-O 3.2Å; S64-S69 WeakPolarHBondContact CB-O 3.35Å; S64-S69 PolarHBondContact N-O 2.94Å; S64-S69 PolarHBondContact O-N 3.44Å; K67-S69 WeakPolarHBondContact CB-OG 3.22Å; K67-S69 PolarHBondContact O-N 2.99Å; S69-W81 VanDerWaalsContact OG-CE3 3.3Å; S69-V82 CarbonylContact C-O 3.59Å; S69-V82 VanDerWaalsContact CA-O 3.22Å; S69-V82 WeakPolarHBondContact CA-O 3.38Å; S69-V82 WeakPolarHBondContact CB-O 3.33Å |
| 70 | C | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.4 | 174 | -63 | 0 | 0 | 0 | 0 | 109.4 | I60 R62 V72 W81 V82 W84 I87 | I60-C70 HydrophobicContact CG2-CB 4.38Å; R62-C70 CarbonylContact O-C 3.59Å; R62-C70 WeakPolarHBondContact O-CA 3.43Å; C70-V72 HydrophobicContact CB-CG2 4.22Å; C70-V72 PolarHBondContact O-N 3Å; C70-W81 WeakPolarHBondContact O-CA 3.36Å; C70-V82 PolarHBondContact N-O 2.82Å; C70-V82 PolarHBondContact O-N 2.85Å; C70-W84 PolarHBondContact SG-NE1 3.37Å; C70-I87 HydrophobicContact CB-CD1 3.68Å |
| 71 | L | 93.9 | Very high | 90.8 | Very high | 34 Ų | 34 | 81 Ų | 81 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.7 | 166.4 | -176.6 | 64.8 | 0 | 0 | 0 | 107.7 | K61 R62 K79 W81 | K61-L71 HydrophobicContact CB-CD2 4.26Å; K61-L71 HydrophobicContact CB-CG 4.26Å; K61-L71 HydrophobicContact CG-CD2 4.36Å; K61-L71 PolarHBondContact N-O 3.33Å; R62-L71 HydrophobicContact CB-CB 4.07Å; R62-L71 PolarHBondContact N-O 2.89Å; R62-L71 PolarHBondContact O-N 3.49Å; L71-K79 HydrophobicContact CD1-CB 4.22Å; L71-W81 HydrophobicContact CB-CD2 4.28Å; L71-W81 HydrophobicContact CB-CE3 4.18Å; L71-W81 HydrophobicContact CB-CH2 4.1Å; L71-W81 HydrophobicContact CB-CZ2 4.19Å; L71-W81 HydrophobicContact CB-CZ3 4.08Å; L71-W81 HydrophobicContact CD1-CD2 4.36Å; L71-W81 HydrophobicContact CD1-CG 4.44Å |
| 72 | V | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.1 | -178.7 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | V46 G58 K59 C70 F74 K79 Y80 V82 | V46-V72 HydrophobicContact CG2-CG1 4.46Å; V46-V72 HydrophobicContact CG2-CG2 4.47Å; G58-V72 VanDerWaalsContact CA-CG1 3.49Å; K59-V72 WeakPolarHBondContact O-CA 3.48Å; C70-V72 HydrophobicContact CB-CG2 4.22Å; C70-V72 PolarHBondContact O-N 3Å; V72-F74 HydrophobicContact CB-CE2 4.26Å; V72-F74 HydrophobicContact CB-CZ 4.45Å; V72-F74 HydrophobicContact CG1-CE2 4.3Å; V72-F74 HydrophobicContact CG1-CZ 4.28Å; V72-K79 WeakPolarHBondContact O-CA 3.39Å; V72-Y80 PolarHBondContact N-O 3.2Å; V72-Y80 PolarHBondContact O-N 3.44Å; V72-Y80 VanDerWaalsContact O-N 3.11Å; V72-V82 HydrophobicContact CB-CG2 4.03Å; V72-V82 HydrophobicContact CG2-CB 4.19Å; V72-V82 HydrophobicContact CG2-CG2 3.93Å |
| 73 | T | 95.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 71 Ų | 71 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.3 | 168.3 | -59.5 | 0 | 0 | 0 | 0 | 108.6 | G58 K59 S78 K79 | G58-T73 CarbonylContact C-O 3.54Å; G58-T73 WeakPolarHBondContact CA-O 3.44Å; K59-T73 PolarHBondContact N-O 2.8Å; K59-T73 PolarHBondContact O-N 2.85Å; T73-S78 WeakPolarHBondContact CA-O 3.43Å; T73-K79 HydrophobicContact CG2-CG 4.5Å; T73-K79 PolarHBondContact OG1-NZ 2.85Å |
| 74 | F | 93.2 | Very high | 90.5 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 172.1 | 178.6 | -66 | -89.1 | 0 | 0 | 0 | 111.3 | C48 W50 V72 D76 N77 S78 Y80 V82 | C48-F74 HydrophobicContact CB-CE1 3.77Å; C48-F74 HydrophobicContact CB-CZ 3.97Å; W50-F74 HydrophobicContact CE3-CZ 4.42Å; W50-F74 HydrophobicContact CZ3-CE2 4.37Å; W50-F74 HydrophobicContact CZ3-CZ 4.07Å; V72-F74 HydrophobicContact CB-CE2 4.26Å; V72-F74 HydrophobicContact CB-CZ 4.45Å; V72-F74 HydrophobicContact CG1-CE2 4.3Å; V72-F74 HydrophobicContact CG1-CZ 4.28Å; F74-D76 VanDerWaalsContact CB-OD1 3.3Å; F74-D76 WeakPolarHBondContact CB-OD1 3.47Å; F74-D76 PolarHBondContact O-N 3.41Å; F74-N77 WeakPolarHBondContact O-CA 3.38Å; F74-N77 PolarHBondContact O-N 2.76Å; F74-S78 PolarHBondContact N-O 3.31Å; F74-Y80 HydrophobicContact CD2-CD2 4.16Å; F74-Y80 HydrophobicContact CE2-CD2 4.03Å; F74-V82 HydrophobicContact CE2-CG2 4.21Å; F74-V82 HydrophobicContact CZ-CG2 3.81Å |
| 75 | E | 92.5 | Very high | 90.4 | Very high | 155 Ų | 155 | 74.5 Ų | 74.5 | 72% | 0.724 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -28 | -178.6 | -62 | -168 | 109.7 | 0 | 0 | 113.4 | L57 N77 | L57-E75 HydrophobicContact CB-CG 4.3Å; E75-N77 PolarHBondContact O-N 2.82Å |
| 76 | D | 92.6 | Very high | 90.7 | Very high | 114 Ų | 114 | 71.6 Ų | 71.6 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 8.2 | 173.8 | 70.8 | -14.6 | 0 | 0 | 0 | 113.4 | F74 S78 | F74-D76 VanDerWaalsContact CB-OD1 3.3Å; F74-D76 WeakPolarHBondContact CB-OD1 3.47Å; F74-D76 PolarHBondContact O-N 3.41Å; D76-S78 VanDerWaalsContact CG-OG 3.29Å; D76-S78 PolarHBondContact O-N 2.84Å; D76-S78 WeakPolarHBondContact OD1-CB 3.36Å; D76-S78 PolarHBondContact OD1-N 3.18Å; D76-S78 PolarHBondContact OD1-OG 2.88Å; D76-S78 WeakPolarHBondContact OD2-CB 3.36Å; D76-S78 PolarHBondContact OD2-OG 3.43Å |
| 77 | N | 90 | Very high | 90.9 | Very high | 126 Ų | 126 | 66.5 Ų | 66.5 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 66 | 1 | -172.9 | -59.2 | -78.9 | 0 | 0 | 0 | 115.7 | F74 E75 | F74-N77 WeakPolarHBondContact O-CA 3.38Å; F74-N77 PolarHBondContact O-N 2.76Å; E75-N77 PolarHBondContact O-N 2.82Å |
| 78 | S | 93.6 | Very high | 90.9 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | trans | -64 | 151.4 | 174.8 | 74.8 | 0 | 0 | 0 | 0 | 110.6 | T73 F74 D76 | T73-S78 WeakPolarHBondContact CA-O 3.43Å; F74-S78 PolarHBondContact N-O 3.31Å; D76-S78 VanDerWaalsContact CG-OG 3.29Å; D76-S78 PolarHBondContact O-N 2.84Å; D76-S78 WeakPolarHBondContact OD1-CB 3.36Å; D76-S78 PolarHBondContact OD1-N 3.18Å; D76-S78 PolarHBondContact OD1-OG 2.88Å; D76-S78 WeakPolarHBondContact OD2-CB 3.36Å; D76-S78 PolarHBondContact OD2-OG 3.43Å | ||
| 79 | K | 94.3 | Very high | 90.5 | Very high | 112 Ų | 112 | 59.5 Ų | 59.5 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 118.7 | -176.9 | -56.3 | -168 | -169.6 | -44.1 | 0 | 109.7 | L71 V72 T73 | L71-K79 HydrophobicContact CD1-CB 4.22Å; V72-K79 WeakPolarHBondContact O-CA 3.39Å; T73-K79 HydrophobicContact CG2-CG 4.5Å; T73-K79 PolarHBondContact OG1-NZ 2.85Å |
| 80 | Y | 94.1 | Very high | 89.5 | Confident | 119 Ų | 119 | 61.7 Ų | 61.7 | 47% | 0.467 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 150.3 | 176.9 | -64.3 | -82.7 | 0 | 0 | 0 | 111.8 | W50 V72 F74 V82 | W50-Y80 HydrophobicContact CH2-CD1 4.13Å; W50-Y80 AromaticContact CH2-CD2 3.75Å; W50-Y80 HydrophobicContact CH2-CD2 3.75Å; W50-Y80 HydrophobicContact CH2-CE2 4.18Å; W50-Y80 AromaticContact CH2-CG 3.72Å; W50-Y80 HydrophobicContact CH2-CG 3.72Å; W50-Y80 HydrophobicContact CZ3-CD2 4.43Å; W50-Y80 HydrophobicContact CZ3-CG 4.38Å; V72-Y80 PolarHBondContact N-O 3.2Å; V72-Y80 PolarHBondContact O-N 3.44Å; V72-Y80 VanDerWaalsContact O-N 3.11Å; F74-Y80 HydrophobicContact CD2-CD2 4.16Å; F74-Y80 HydrophobicContact CE2-CD2 4.03Å; Y80-V82 PolarHBondContact O-N 3.43Å |
| 81 | W | 92.9 | Very high | 88 | Confident | 134 Ų | 134 | 64.2 Ų | 64.2 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 112.8 | 167.2 | -73.4 | 96.8 | 0 | 0 | 0 | 108.5 | S64 S69 C70 L71 | S64-W81 VanDerWaalsContact CB-CZ3 3.46Å; S69-W81 VanDerWaalsContact OG-CE3 3.3Å; C70-W81 WeakPolarHBondContact O-CA 3.36Å; L71-W81 HydrophobicContact CB-CD2 4.28Å; L71-W81 HydrophobicContact CB-CE3 4.18Å; L71-W81 HydrophobicContact CB-CH2 4.1Å; L71-W81 HydrophobicContact CB-CZ2 4.19Å; L71-W81 HydrophobicContact CB-CZ3 4.08Å; L71-W81 HydrophobicContact CD1-CD2 4.36Å; L71-W81 HydrophobicContact CD1-CG 4.44Å |
| 82 | V | 91.9 | Very high | 86.4 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.6 | 177.3 | -171.1 | 0 | 0 | 0 | 0 | 108.1 | C48 S69 C70 V72 F74 Y80 D86 I87 | C48-V82 HydrophobicContact CB-CG1 4.02Å; C48-V82 HydrophobicContact CB-CG2 4.3Å; S69-V82 CarbonylContact C-O 3.59Å; S69-V82 VanDerWaalsContact CA-O 3.22Å; S69-V82 WeakPolarHBondContact CA-O 3.38Å; S69-V82 WeakPolarHBondContact CB-O 3.33Å; C70-V82 PolarHBondContact N-O 2.82Å; C70-V82 PolarHBondContact O-N 2.85Å; V72-V82 HydrophobicContact CB-CG2 4.03Å; V72-V82 HydrophobicContact CG2-CB 4.19Å; V72-V82 HydrophobicContact CG2-CG2 3.93Å; F74-V82 HydrophobicContact CE2-CG2 4.21Å; F74-V82 HydrophobicContact CZ-CG2 3.81Å; Y80-V82 PolarHBondContact O-N 3.43Å; V82-D86 HydrophobicContact CG1-CB 4.08Å; V82-I87 HydrophobicContact CB-CD1 4.17Å; V82-I87 HydrophobicContact CB-CG1 4.05Å; V82-I87 HydrophobicContact CG1-CD1 4.28Å; V82-I87 HydrophobicContact CG1-CG1 3.62Å |
| 83 | L | 90.1 | Very high | 84.4 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 41% | 0.414 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 143.4 | 176 | -61.8 | 175.2 | 0 | 0 | 0 | 109.4 | K85 D86 I87 | L83-K85 HydrophobicContact CB-CG 3.92Å; L83-K85 PolarHBondContact O-N 3.47Å; L83-D86 PolarHBondContact O-N 2.87Å; L83-I87 PolarHBondContact O-N 2.92Å |
| 84 | W | 85.9 | Confident | 82.6 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 4% | 0.042 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -57.1 | -28.5 | 179.8 | -61.8 | -22.1 | 0 | 0 | 0 | 113.8 | M37 L40 V63 S64 Q68 C70 D86 I87 | M37-W84 HydrophobicContact CE-CZ3 3.98Å; M37-W84 HydrophobicContact CG-CD2 3.92Å; M37-W84 HydrophobicContact CG-CE3 3.42Å; M37-W84 VanDerWaalsContact CG-CE3 3.42Å; M37-W84 HydrophobicContact CG-CH2 3.57Å; M37-W84 HydrophobicContact CG-CZ2 4.04Å; M37-W84 HydrophobicContact CG-CZ3 3.29Å; M37-W84 HydrophobicContact SD-CE3 3.73Å; M37-W84 HydrophobicContact SD-CH2 3.05Å; M37-W84 WeakPolarHBondContact SD-CH2 3.05Å; M37-W84 HydrophobicContact SD-CZ2 4.02Å; M37-W84 HydrophobicContact SD-CZ3 2.92Å; M37-W84 WeakPolarHBondContact SD-CZ3 3.43Å; L40-W84 HydrophobicContact CD1-CG 4.25Å; V63-W84 HydrophobicContact CG1-CZ2 4.28Å; S64-W84 WeakPolarHBondContact O-CZ2 3.43Å; Q68-W84 VanDerWaalsContact C-CE2 3.43Å; Q68-W84 HydrophobicContact CB-CD2 3.96Å; Q68-W84 HydrophobicContact CB-CE3 3.48Å; Q68-W84 VanDerWaalsContact CB-CE3 3.48Å; Q68-W84 HydrophobicContact CB-CH2 4.21Å; Q68-W84 HydrophobicContact CB-CZ3 3.56Å; Q68-W84 HydrophobicContact CG-CE3 3.93Å; Q68-W84 HydrophobicContact CG-CH2 4.18Å; Q68-W84 HydrophobicContact CG-CZ3 3.52Å; Q68-W84 VanDerWaalsContact O-CG 3.28Å; Q68-W84 PolarHBondContact O-N 3.14Å; C70-W84 PolarHBondContact SG-NE1 3.37Å; W84-D86 PolarHBondContact O-N 2.87Å; W84-I87 PolarHBondContact O-N 2.91Å |
| 85 | K | 85.3 | Confident | 81 | Confident | 122 Ų | 122 | 80.3 Ų | 80.3 | 53% | 0.53 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -64.2 | -23.6 | 176.5 | 65.5 | 162.1 | -171.2 | 174 | 0 | 114.6 | F33 L83 | F33-K85 HydrophobicContact CE1-CB 3.98Å; F33-K85 HydrophobicContact CE2-CB 4.1Å; F33-K85 HydrophobicContact CZ-CB 3.64Å; L83-K85 HydrophobicContact CB-CG 3.92Å; L83-K85 PolarHBondContact O-N 3.47Å |
| 86 | D | 88.9 | Confident | 79.4 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -102.6 | 1.1 | -178.3 | -59.3 | -52 | 0 | 0 | 0 | 111.1 | C48 R49 V82 L83 W84 | C48-D86 CarbonylContact C-O 3.55Å; C48-D86 WeakPolarHBondContact CA-O 3.43Å; R49-D86 HydrophobicContact CB-CB 4.28Å; R49-D86 IonicContact CZ-OD1 3.53Å; R49-D86 PolarHBondContact N-O 3.11Å; R49-D86 IonicContact NE-OD1 3.38Å; R49-D86 PolarHBondContact NE-OD1 2.81Å; R49-D86 IonicContact NH2-OD1 2.8Å; R49-D86 PolarHBondContact NH2-OD1 2.9Å; V82-D86 HydrophobicContact CG1-CB 4.08Å; L83-D86 PolarHBondContact O-N 2.87Å; W84-D86 PolarHBondContact O-N 2.87Å |
| 87 | I | 88 | Confident | 77.9 | Confident | 7 Ų | 7 | 81.1 Ų | 81.1 | 4% | 0.036 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.5 | 176.7 | -61 | 175.5 | 0 | 0 | 0 | 109.8 | L36 L40 V46 C70 V82 L83 W84 | L36-I87 WeakPolarHBondContact CD2-O 3.19Å; L40-I87 HydrophobicContact CD2-CG2 3.75Å; V46-I87 HydrophobicContact CB-CG2 3.75Å; V46-I87 HydrophobicContact CG1-CG2 3.9Å; V46-I87 HydrophobicContact CG2-CG2 3.93Å; C70-I87 HydrophobicContact CB-CD1 3.68Å; V82-I87 HydrophobicContact CB-CD1 4.17Å; V82-I87 HydrophobicContact CB-CG1 4.05Å; V82-I87 HydrophobicContact CG1-CD1 4.28Å; V82-I87 HydrophobicContact CG1-CG1 3.62Å; L83-I87 PolarHBondContact O-N 2.92Å; W84-I87 PolarHBondContact O-N 2.91Å |
| 88 | Q | 85.5 | Confident | 76.6 | Confident | 96 Ų | 96 | 81.7 Ų | 81.7 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.4 | 173.7 | -174.2 | 167.5 | -12.1 | 0 | 0 | 109.6 | L47 Y55 A90 | L47-Q88 HydrophobicContact CB-CB 4.31Å; L47-Q88 PolarHBondContact N-O 3.33Å; L47-Q88 PolarHBondContact O-N 2.79Å; Y55-Q88 HydrophobicContact CE1-CB 4.21Å; Y55-Q88 VanDerWaalsContact CE1-OE1 3.26Å; Q88-A90 PolarHBondContact O-N 3.18Å |
| 89 | H | 77.4 | Confident | 75.1 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 15% | 0.153 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 128.2 | 177.7 | -78.2 | 68.1 | 0 | 0 | 0 | 109.8 | L36 K39 L40 Q44 G91 | L36-H89 WeakPolarHBondContact CD1-ND1 3.43Å; L36-H89 PolarHBondContact O-CE1 2.79Å; L36-H89 VanDerWaalsContact O-CE1 3.32Å; K39-H89 WeakPolarHBondContact CB-NE2 3.11Å; L40-H89 WeakPolarHBondContact CD2-CE1 3.3Å; Q44-H89 PolarHBondContact NE2-CD2 3.23Å; Q44-H89 VanDerWaalsContact NE2-CD2 3.31Å; H89-G91 PolarHBondContact O-N 2.76Å |
| 90 | A | 68.3 | Low | 73.5 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 44% | 0.438 | 45% | 0.454 | S | S | . | . | trans | -76.7 | 6.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q88 | Q88-A90 PolarHBondContact O-N 3.18Š| ||
| 91 | G | 59.7 | Low | 72.2 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 55% | 0.546 | 47% | 0.47 | S | S | . | . | trans | 81.3 | 143.4 | -169 | 0 | 0 | 0 | 0 | 0 | 111.3 | H89 | H89-G91 PolarHBondContact O-N 2.76Š| ||
| 92 | V | 59.8 | Low | 71.2 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 38% | 0.382 | 47% | 0.466 | S | S | . | . | trans | -95.2 | 134.3 | 173.1 | -69.9 | 0 | 0 | 0 | 0 | 108.7 | G94 E95 | V92-G94 PolarHBondContact O-N 3.45Å; V92-E95 HydrophobicContact CG2-CB 3.35Å; V92-E95 HydrophobicContact CG2-CG 4.24Å; V92-E95 WeakPolarHBondContact CG2-OE2 3.33Å; V92-E95 PolarHBondContact O-N 3.21Å | ||
| 93 | P | 53.3 | Low | 69.9 | Low | 136 Ų | 136 | 85.4 Ų | 85.4 | 88% | 0.883 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 118.7 | 177.1 | 24.9 | -30.9 | 0 | 0 | 0 | 109.6 | ||
| 94 | G | 57.4 | Low | 68.5 | Low | 92 Ų | 92 | 84.8 Ų | 84.8 | 95% | 0.948 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.9 | -4.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V92 | V92-G94 PolarHBondContact O-N 3.45Š|
| 95 | E | 60.3 | Low | 67.2 | Low | 121 Ų | 121 | 92.8 Ų | 92.8 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -101.6 | 134.6 | 173 | -152.6 | -179.1 | -159.3 | 0 | 0 | 110 | V92 | V92-E95 HydrophobicContact CG2-CB 3.35Å; V92-E95 HydrophobicContact CG2-CG 4.24Å; V92-E95 WeakPolarHBondContact CG2-OE2 3.33Å; V92-E95 PolarHBondContact O-N 3.21Å |
| 96 | E | 58.7 | Low | 65.7 | Low | 159 Ų | 159 | 97.1 Ų | 97.1 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | trans | -60.8 | 131.5 | 179.5 | -142.2 | -176.2 | 114.2 | 0 | 0 | 109.8 | K98 | E96-K98 PolarHBondContact O-N 2.91Š| ||
| 97 | P | 59.7 | Low | 64.5 | Low | 127 Ų | 127 | 100.6 Ų | 100.6 | 83% | 0.825 | 60% | 0.599 | S | S | * | * | trans | -66.6 | 92.4 | -175.6 | 26.2 | -34.6 | 0 | 0 | 0 | 110.8 | ||||
| 98 | K | 63.9 | Low | 63.3 | Low | 139 Ų | 139 | 105.5 Ų | 105.5 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | trans | -81.3 | 130 | 173.1 | -70.2 | 177.1 | -175.8 | 171.1 | 0 | 109.8 | E96 N100 | E96-K98 PolarHBondContact O-N 2.91Å; K98-N100 PolarHBondContact O-N 2.96Å | ||
| 99 | C | 61.4 | Low | 62 | Low | 52 Ų | 52 | 106.1 Ų | 106.1 | 35% | 0.351 | 64% | 0.639 | S | S | . | * | trans | -54.3 | 111.2 | 170.4 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | I101 C102 L103 | C99-I101 PolarHBondContact O-N 2.84Å; C99-C102 HydrophobicContact CB-CB 4.28Å; C99-C102 WeakPolarHBondContact CB-SG 3.37Å; C99-C102 PolarHBondContact O-N 2.79Å; C99-C102 WeakPolarHBondContact SG-CB 3.44Å; C99-C102 PolarHBondContact SG-N 2.61Å; C99-C102 CovalentContact SG-SG 2.06Å; C99-C102 PolarHBondContact SG-SG 3.02Å; C99-L103 VanDerWaalsContact O-CA 3.26Å; C99-L103 WeakPolarHBondContact O-CA 3.19Å; C99-L103 PolarHBondContact O-N 3.29Å | ||
| 100 | N | 61.3 | Low | 61.1 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 46% | 0.46 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | -10.3 | 178.3 | -74.9 | -50.9 | 0 | 0 | 0 | 113.6 | N32 K98 | N32-N100 PolarHBondContact ND2-O 2.98Å; K98-N100 PolarHBondContact O-N 2.96Å |
| 101 | I | 66.9 | Low | 60.7 | Low | 160 Ų | 160 | 113.9 Ų | 113.9 | 82% | 0.821 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -41.9 | 179.3 | -59.2 | 178.1 | 0 | 0 | 0 | 111.4 | C99 | C99-I101 PolarHBondContact O-N 2.84Š|
| 102 | C | 71.1 | Confident | 60.7 | Low | 62 Ų | 62 | 118 Ų | 118 | 42% | 0.419 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.1 | -11.8 | -169.3 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | C99 G104 K105 | C99-C102 HydrophobicContact CB-CB 4.28Å; C99-C102 WeakPolarHBondContact CB-SG 3.37Å; C99-C102 PolarHBondContact O-N 2.79Å; C99-C102 WeakPolarHBondContact SG-CB 3.44Å; C99-C102 PolarHBondContact SG-N 2.61Å; C99-C102 CovalentContact SG-SG 2.06Å; C99-C102 PolarHBondContact SG-SG 3.02Å; C102-G104 PolarHBondContact O-N 3.25Å; C102-K105 PolarHBondContact O-N 3.19Å |
| 103 | L | 64.8 | Low | 60.8 | Low | 116 Ų | 116 | 121.9 Ų | 121.9 | 61% | 0.607 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47 | 26.4 | 178.1 | -63.1 | 173 | 0 | 0 | 0 | 113.9 | C99 | C99-L103 VanDerWaalsContact O-CA 3.26Å; C99-L103 WeakPolarHBondContact O-CA 3.19Å; C99-L103 PolarHBondContact O-N 3.29Å |
| 104 | G | 60.6 | Low | 61.4 | Low | 65 Ų | 65 | 120.8 Ų | 120.8 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.5 | 17.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C102 | C102-G104 PolarHBondContact O-N 3.25Š|
| 105 | K | 59.4 | Low | 61.7 | Low | 179 Ų | 179 | 123.3 Ų | 123.3 | 78% | 0.778 | 68% | 0.679 | S | S | * | * | trans | -92.1 | 113.4 | 169.8 | -62.9 | -173.4 | -178.6 | -176.1 | 0 | 109.7 | C102 | C102-K105 PolarHBondContact O-N 3.19Š| ||
| 106 | T | 52.3 | Low | 61.8 | Low | 213 Ų | 213 | 123.5 Ų | 123.5 | 100% | 1.307 | 69% | 0.69 | S | S | * | * | trans | -65.1 | 0 | 168.1 | -52.7 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 106 of 106 residues in 20 ms
(Link to these results)