| 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 | 40.2 | Very low | 60.2 | Low | 240 Ų | 240 | 134.3 Ų | 134.3 | 100% | 1.182 | 75% | 0.749 | S | S | * | * | 0 | 98.9 | 0 | -63 | -85.7 | -145.9 | 0 | 0 | 107.2 | V3 | M1-V3 PolarHBondContact O-N 2.71Š| |||
| 2 | S | 53.2 | Low | 60.9 | Low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -77.8 | 111 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | Q4 | S2-Q4 PolarHBondContact O-N 2.79Å; S2-Q4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | V | 64.6 | Low | 61 | Low | 127 Ų | 127 | 141.6 Ų | 141.6 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -68.4 | 103.4 | 178.8 | -110.2 | 0 | 0 | 0 | 0 | 107.9 | M1 T5 | M1-V3 PolarHBondContact O-N 2.71Å; V3-T5 VanDerWaalsContact C-N 3.26Å; V3-T5 PolarHBondContact O-N 2.86Å | ||
| 4 | Q | 61 | Low | 61.1 | Low | 193 Ų | 193 | 139 Ų | 139 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | -68.1 | 91.2 | 163.8 | -77 | 178.1 | 6.8 | 0 | 0 | 107.3 | S2 N6 | S2-Q4 PolarHBondContact O-N 2.79Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; Q4-N6 PolarHBondContact O-N 2.74Å | ||
| 5 | T | 64.5 | Low | 61.4 | Low | 104 Ų | 104 | 139.7 Ų | 139.7 | 64% | 0.638 | 75% | 0.747 | S | S | * | * | trans | -69.7 | 129.1 | 170.2 | 50.1 | 0 | 0 | 0 | 0 | 108.6 | V3 L7 | V3-T5 VanDerWaalsContact C-N 3.26Å; V3-T5 PolarHBondContact O-N 2.86Å; T5-L7 PolarHBondContact O-N 2.73Å | ||
| 6 | N | 63.8 | Low | 61.8 | Low | 93 Ų | 93 | 139.2 Ų | 139.2 | 50% | 0.497 | 75% | 0.75 | S | S | . | * | trans | -61.7 | 125.2 | 177.2 | -164.7 | -59 | 0 | 0 | 0 | 108.9 | Q4 K8 D9 | Q4-N6 PolarHBondContact O-N 2.74Å; N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 WeakPolarHBondContact OD1-CB 3.42Å; N6-K8 PolarHBondContact OD1-N 2.86Å; N6-D9 PolarHBondContact O-N 2.62Å | ||
| 7 | L | 59.3 | Low | 61.9 | Low | 155 Ų | 155 | 139.4 Ų | 139.4 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -20.6 | -175 | -167.4 | 64.9 | 0 | 0 | 0 | 112.9 | T5 | T5-L7 PolarHBondContact O-N 2.73Š|
| 8 | K | 64.2 | Low | 62.2 | Low | 187 Ų | 187 | 137.3 Ų | 137.3 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -23.2 | 176.5 | -61.2 | -178 | -179.4 | -176.5 | 0 | 113.7 | N6 V10 | N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 WeakPolarHBondContact OD1-CB 3.42Å; N6-K8 PolarHBondContact OD1-N 2.86Å; K8-V10 VanDerWaalsContact C-N 3.33Å |
| 9 | D | 66.4 | Low | 62.3 | Low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -13 | -178.6 | -65.4 | -27.3 | 0 | 0 | 0 | 112.4 | N6 G11 | N6-D9 PolarHBondContact O-N 2.62Å; D9-G11 PolarHBondContact O-N 3Å; D9-G11 VanDerWaalsContact O-N 3.15Å |
| 10 | V | 62.8 | Low | 62.4 | Low | 48 Ų | 48 | 140.5 Ų | 140.5 | 29% | 0.291 | 75% | 0.75 | S | S | . | * | trans | -84.8 | 89.3 | 174.9 | -170.4 | 0 | 0 | 0 | 0 | 107.7 | K8 W12 | K8-V10 VanDerWaalsContact C-N 3.33Å; V10-W12 HydrophobicContact CG1-CD2 4.05Å; V10-W12 HydrophobicContact CG1-CE3 3.35Å; V10-W12 HydrophobicContact CG1-CH2 4.26Å; V10-W12 HydrophobicContact CG1-CZ3 3.48Å; V10-W12 VanDerWaalsContact CG1-CZ3 3.48Å; V10-W12 WeakPolarHBondContact CG1-O 3.48Å; V10-W12 PolarHBondContact O-N 3.27Å | ||
| 11 | G | 62.3 | Low | 62.5 | Low | 74 Ų | 74 | 143.2 Ų | 143.2 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -60.6 | 6.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | D9 | D9-G11 PolarHBondContact O-N 3Å; D9-G11 VanDerWaalsContact O-N 3.15Å |
| 12 | W | 68.7 | Low | 63.5 | Low | 202 Ų | 202 | 138.8 Ų | 138.8 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -134.2 | 103.7 | 175.1 | 5.1 | -84.1 | 0 | 0 | 0 | 107.8 | V10 C14 | V10-W12 HydrophobicContact CG1-CD2 4.05Å; V10-W12 HydrophobicContact CG1-CE3 3.35Å; V10-W12 HydrophobicContact CG1-CH2 4.26Å; V10-W12 HydrophobicContact CG1-CZ3 3.48Å; V10-W12 VanDerWaalsContact CG1-CZ3 3.48Å; V10-W12 WeakPolarHBondContact CG1-O 3.48Å; V10-W12 PolarHBondContact O-N 3.27Å; W12-C14 PolarHBondContact O-N 2.89Å |
| 13 | M | 61.7 | Low | 64 | Low | 162 Ų | 162 | 141.5 Ų | 141.5 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | -68 | 95.5 | 172.1 | -177.1 | 164.5 | 58.7 | 0 | 0 | 108.3 | H15 | M13-H15 PolarHBondContact O-N 3.03Š| ||
| 14 | C | 63.4 | Low | 64.1 | Low | 105 Ų | 105 | 140.7 Ų | 140.7 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | -61.2 | 112 | 165.6 | -176.3 | 0 | 0 | 0 | 0 | 106.8 | W12 V16 | W12-C14 PolarHBondContact O-N 2.89Å; C14-V16 PolarHBondContact O-N 3.29Å | ||
| 15 | H | 65.5 | Low | 64.4 | Low | 149 Ų | 149 | 139.9 Ų | 139.9 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | -57.5 | 109.2 | 165 | -82 | -49.2 | 0 | 0 | 0 | 106.5 | M13 I17 | M13-H15 PolarHBondContact O-N 3.03Å; H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.48Å | ||
| 16 | V | 66.7 | Low | 64.6 | Low | 132 Ų | 132 | 143.9 Ų | 143.9 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -59.1 | 97.7 | 172.9 | 178 | 0 | 0 | 0 | 0 | 106.2 | C14 P18 | C14-V16 PolarHBondContact O-N 3.29Å; V16-P18 VanDerWaalsContact O-CD 3.27Å; V16-P18 WeakPolarHBondContact O-CD 3.28Å; V16-P18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | I | 64.1 | Low | 65.1 | Low | 142 Ų | 142 | 147.4 Ų | 147.4 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | -63.7 | 118.3 | 175.5 | -58 | 173.1 | 0 | 0 | 0 | 104.6 | H15 L19 | H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.48Å; I17-L19 PolarHBondContact O-N 3.34Å | ||
| 18 | P | 67 | Low | 65.9 | Low | 102 Ų | 102 | 144.2 Ų | 144.2 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | trans | -55.7 | 120.3 | 176.9 | -17.4 | 27.1 | 0 | 0 | 0 | 107.5 | V16 K20 | V16-P18 VanDerWaalsContact O-CD 3.27Å; V16-P18 WeakPolarHBondContact O-CD 3.28Å; V16-P18 VanDerWaalsContact O-N 3.15Å; P18-K20 PolarHBondContact O-N 3.06Å | ||
| 19 | L | 63.9 | Low | 66.5 | Low | 163 Ų | 163 | 140.7 Ų | 140.7 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -52.1 | 107.6 | 166.7 | -79.2 | 140.4 | 0 | 0 | 0 | 105.9 | I17 K21 | I17-L19 PolarHBondContact O-N 3.34Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 WeakPolarHBondContact O-CG 3.15Å; L19-K21 PolarHBondContact O-N 3.42Å | ||
| 20 | K | 64.3 | Low | 67 | Low | 176 Ų | 176 | 140.2 Ų | 140.2 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | -60.5 | 98.1 | -176.4 | -67.9 | -174.5 | 178.8 | -176 | 0 | 107.8 | P18 N22 | P18-K20 PolarHBondContact O-N 3.06Å; K20-N22 PolarHBondContact O-N 3.25Å | ||
| 21 | K | 64.9 | Low | 67.7 | Low | 198 Ų | 198 | 144 Ų | 144 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -68.3 | 122.9 | 172.5 | -54.3 | -177.8 | -174.5 | 179.4 | 0 | 105.8 | L19 | L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 WeakPolarHBondContact O-CG 3.15Å; L19-K21 PolarHBondContact O-N 3.42Å |
| 22 | N | 62 | Low | 68.5 | Low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | 65.4 | 85.5 | 179.5 | -103.2 | -40.3 | 0 | 0 | 0 | 115.4 | K20 V24 | K20-N22 PolarHBondContact O-N 3.25Å; N22-V24 HydrophobicContact CB-CG2 4.48Å; N22-V24 PolarHBondContact O-N 2.79Å | ||
| 23 | K | 62.1 | Low | 69.1 | Low | 179 Ų | 179 | 142.2 Ų | 142.2 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | trans | -73.1 | 80.5 | 148.7 | -73.5 | -175.2 | -178.2 | -177.6 | 0 | 107.3 | Q25 | K23-Q25 PolarHBondContact O-N 3.35Å; K23-Q25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | V | 68 | Low | 69.9 | Low | 109 Ų | 109 | 139.3 Ų | 139.3 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | trans | -58.1 | 120.1 | 153.7 | -176.2 | 0 | 0 | 0 | 0 | 104 | N22 Q26 | N22-V24 HydrophobicContact CB-CG2 4.48Å; N22-V24 PolarHBondContact O-N 2.79Å; V24-Q26 VanDerWaalsContact C-N 3.29Å; V24-Q26 PolarHBondContact O-N 2.68Å | ||
| 25 | Q | 66.3 | Low | 70.4 | Confident | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | -55.3 | 102.4 | 174.5 | -73.6 | 176.5 | -3.5 | 0 | 0 | 106.1 | K23 L27 | K23-Q25 PolarHBondContact O-N 3.35Å; K23-Q25 VanDerWaalsContact O-N 3.12Å; Q25-L27 PolarHBondContact O-N 3.31Å | ||
| 26 | Q | 68.4 | Low | 70.5 | Confident | 188 Ų | 188 | 140.2 Ų | 140.2 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 117.4 | 173.5 | -77.5 | -178.6 | -48.9 | 0 | 0 | 105.1 | V24 A28 | V24-Q26 VanDerWaalsContact C-N 3.29Å; V24-Q26 PolarHBondContact O-N 2.68Å; Q26-A28 PolarHBondContact O-N 3.06Å |
| 27 | L | 75.1 | Confident | 70.7 | Confident | 166 Ų | 166 | 138.5 Ų | 138.5 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -52 | 132.8 | 171.5 | -67.5 | 168.6 | 0 | 0 | 0 | 107.2 | Q25 | Q25-L27 PolarHBondContact O-N 3.31Š|
| 28 | A | 75.3 | Confident | 70.8 | Confident | 89 Ų | 89 | 133.9 Ų | 133.9 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 138.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q26 | Q26-A28 PolarHBondContact O-N 3.06Š|
| 29 | P | 77.9 | Confident | 70.7 | Confident | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 148.9 | 175.5 | 25.4 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 30 | P | 77.5 | Confident | 70.7 | Confident | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 146.2 | 174.6 | 24.7 | -33.4 | 0 | 0 | 0 | 110.1 | S32 | P30-S32 PolarHBondContact O-N 3.08Š|
| 31 | I | 76.8 | Confident | 70.6 | Confident | 128 Ų | 128 | 133.9 Ų | 133.9 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 140.5 | 176.5 | -143.7 | 165.8 | 0 | 0 | 0 | 109 | ||
| 32 | S | 78.8 | Confident | 70.6 | Confident | 43 Ų | 43 | 133.3 Ų | 133.3 | 30% | 0.301 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 137.3 | 178.6 | 147.2 | 0 | 0 | 0 | 0 | 110.3 | P30 I34 I37 | P30-S32 PolarHBondContact O-N 3.08Å; S32-I34 VanDerWaalsContact C-N 3.29Å; S32-I34 WeakPolarHBondContact OG-CB 3.41Å; S32-I34 PolarHBondContact OG-N 3.2Å; S32-I37 WeakPolarHBondContact CB-O 3.17Å; S32-I37 WeakPolarHBondContact OG-CG2 3.37Å; S32-I37 PolarHBondContact OG-O 2.81Å |
| 33 | Q | 82 | Confident | 70.6 | Confident | 195 Ų | 195 | 134.4 Ų | 134.4 | 91% | 0.911 | 72% | 0.72 | S | S | * | * | trans | -83 | -5.7 | 172.9 | -69.8 | -178.8 | -50.2 | 0 | 0 | 113 | P35 | Q33-P35 WeakPolarHBondContact O-CD 3.38Š| ||
| 34 | I | 77.6 | Confident | 70.4 | Confident | 102 Ų | 102 | 129.8 Ų | 129.8 | 52% | 0.523 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -72.5 | 123 | 177.9 | -55.5 | 165.6 | 0 | 0 | 0 | 107.4 | S32 N36 I37 | S32-I34 VanDerWaalsContact C-N 3.29Å; S32-I34 WeakPolarHBondContact OG-CB 3.41Å; S32-I34 PolarHBondContact OG-N 3.2Å; I34-N36 PolarHBondContact O-N 2.83Å; I34-I37 HydrophobicContact CB-CB 4.03Å; I34-I37 HydrophobicContact CB-CD1 3.99Å; I34-I37 HydrophobicContact CB-CG1 4.29Å; I34-I37 HydrophobicContact CD1-CD1 3.91Å; I34-I37 HydrophobicContact CG2-CB 4.33Å; I34-I37 HydrophobicContact CG2-CD1 3.63Å; I34-I37 HydrophobicContact CG2-CG1 4.04Å; I34-I37 PolarHBondContact O-N 2.68Å |
| 35 | P | 74.1 | Confident | 70 | Confident | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 135.3 | 174.9 | -23.5 | 32.6 | 0 | 0 | 0 | 110.3 | Q33 I37 | Q33-P35 WeakPolarHBondContact O-CD 3.38Å; P35-I37 PolarHBondContact O-N 3.29Å |
| 36 | N | 68.2 | Low | 69.5 | Low | 163 Ų | 163 | 128.1 Ų | 128.1 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.4 | 5.5 | -177.5 | -52.9 | -13.4 | 0 | 0 | 0 | 116.6 | I34 | I34-N36 PolarHBondContact O-N 2.83Š|
| 37 | I | 70.3 | Confident | 69.1 | Low | 96 Ų | 96 | 126.3 Ų | 126.3 | 49% | 0.492 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -115.5 | 113.3 | 170.4 | -62.4 | 178.3 | 0 | 0 | 0 | 108 | S32 I34 P35 | S32-I37 WeakPolarHBondContact CB-O 3.17Å; S32-I37 WeakPolarHBondContact OG-CG2 3.37Å; S32-I37 PolarHBondContact OG-O 2.81Å; I34-I37 HydrophobicContact CB-CB 4.03Å; I34-I37 HydrophobicContact CB-CD1 3.99Å; I34-I37 HydrophobicContact CB-CG1 4.29Å; I34-I37 HydrophobicContact CD1-CD1 3.91Å; I34-I37 HydrophobicContact CG2-CB 4.33Å; I34-I37 HydrophobicContact CG2-CD1 3.63Å; I34-I37 HydrophobicContact CG2-CG1 4.04Å; I34-I37 PolarHBondContact O-N 2.68Å; P35-I37 PolarHBondContact O-N 3.29Å |
| 38 | G | 65.3 | Low | 68.3 | Low | 46 Ų | 46 | 126.2 Ų | 126.2 | 47% | 0.474 | 69% | 0.691 | S | S | . | * | S | Bend | trans | 107.6 | -18.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | M40 | G38-M40 PolarHBondContact O-N 3.1Š|
| 39 | F | 66.2 | Low | 67.7 | Low | 176 Ų | 176 | 130.1 Ų | 130.1 | 77% | 0.772 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -73.7 | 111 | 157.8 | -105.8 | -95.1 | 0 | 0 | 0 | 107.1 | P41 | F39-P41 VanDerWaalsContact O-CD 3.28Å; F39-P41 WeakPolarHBondContact O-CD 3.49Å |
| 40 | M | 63.1 | Low | 67.1 | Low | 157 Ų | 157 | 131.5 Ų | 131.5 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | -55.9 | 114.5 | 163.2 | -148.9 | 163.8 | 89.3 | 0 | 0 | 104.5 | G38 E42 | G38-M40 PolarHBondContact O-N 3.1Å; M40-E42 PolarHBondContact O-N 3.43Å | ||
| 41 | P | 63.1 | Low | 66.7 | Low | 107 Ų | 107 | 130.3 Ų | 130.3 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | trans | -53.2 | 123.8 | 176.6 | 22.4 | -30.9 | 0 | 0 | 0 | 105.2 | F39 E43 | F39-P41 VanDerWaalsContact O-CD 3.28Å; F39-P41 WeakPolarHBondContact O-CD 3.49Å; P41-E43 PolarHBondContact O-N 3.12Å | ||
| 42 | E | 65.2 | Low | 66.6 | Low | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 67% | 0.665 | S | S | * | * | trans | -49.3 | 113.6 | 171.6 | -172.6 | 149.5 | -153.3 | 0 | 0 | 104.6 | M40 S44 | M40-E42 PolarHBondContact O-N 3.43Å; E42-S44 WeakPolarHBondContact O-CA 3.43Å; E42-S44 PolarHBondContact O-N 2.77Å | ||
| 43 | E | 60.6 | Low | 66.9 | Low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | trans | -51.4 | 99 | -170.8 | -97.3 | 169.6 | 178.5 | 0 | 0 | 105.4 | P41 S45 | P41-E43 PolarHBondContact O-N 3.12Å; E43-S45 PolarHBondContact O-N 3.12Å | ||
| 44 | S | 58.6 | Low | 67.3 | Low | 82 Ų | 82 | 130.1 Ų | 130.1 | 57% | 0.573 | 66% | 0.663 | S | S | * | * | trans | -68.6 | 101.2 | -177.4 | 58.8 | 0 | 0 | 0 | 0 | 101.3 | E42 H46 | E42-S44 WeakPolarHBondContact O-CA 3.43Å; E42-S44 PolarHBondContact O-N 2.77Å; S44-H46 PolarHBondContact O-N 2.97Å | ||
| 45 | S | 58.8 | Low | 68 | Low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | trans | -66.8 | 37.9 | 176.9 | 54 | 0 | 0 | 0 | 0 | 110.2 | E43 E47 | E43-S45 PolarHBondContact O-N 3.12Å; S45-E47 PolarHBondContact O-N 3.03Å | ||
| 46 | H | 57.1 | Low | 68.9 | Low | 147 Ų | 147 | 133 Ų | 133 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | trans | -68.4 | 59.9 | 156.3 | -55.8 | -20.8 | 0 | 0 | 0 | 107.5 | S44 K48 | S44-H46 PolarHBondContact O-N 2.97Å; H46-K48 PolarHBondContact O-N 3.09Å | ||
| 47 | E | 60.3 | Low | 70.1 | Confident | 151 Ų | 151 | 130.9 Ų | 130.9 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | trans | -57.3 | 81.7 | 144.3 | -65.3 | -177.1 | -168.4 | 0 | 0 | 105.3 | S45 K49 | S45-E47 PolarHBondContact O-N 3.03Å; E47-K49 PolarHBondContact O-N 3.19Å | ||
| 48 | K | 58.3 | Low | 71.2 | Confident | 163 Ų | 163 | 127.1 Ų | 127.1 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | trans | -62 | 91.9 | 160.2 | -71.6 | -179.4 | -177.1 | 175 | 0 | 103.4 | H46 H50 | H46-K48 PolarHBondContact O-N 3.09Å; K48-H50 PolarHBondContact O-CD2 3.46Å; K48-H50 PolarHBondContact O-N 3.03Å | ||
| 49 | K | 61.4 | Low | 72.6 | Confident | 171 Ų | 171 | 127.2 Ų | 127.2 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | trans | -60.7 | 84.1 | 167.6 | -70.2 | 179.1 | -178.7 | 175.9 | 0 | 105.2 | E47 T51 | E47-K49 PolarHBondContact O-N 3.19Å; K49-T51 VanDerWaalsContact C-N 3.3Å; K49-T51 PolarHBondContact O-N 3.08Å | ||
| 50 | H | 65 | Low | 73.7 | Confident | 143 Ų | 143 | 123 Ų | 123 | 66% | 0.662 | 63% | 0.634 | S | S | * | * | trans | -59.1 | 105 | 169.4 | -83.9 | -87.2 | 0 | 0 | 0 | 104.2 | K48 M52 | K48-H50 PolarHBondContact O-CD2 3.46Å; K48-H50 PolarHBondContact O-N 3.03Å; H50-M52 PolarHBondContact O-N 3.44Å | ||
| 51 | T | 68.9 | Low | 75 | Confident | 98 Ų | 98 | 123.7 Ų | 123.7 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | trans | -61.9 | 95.9 | 172.3 | 51.8 | 0 | 0 | 0 | 0 | 105.8 | K49 Y53 | K49-T51 VanDerWaalsContact C-N 3.3Å; K49-T51 PolarHBondContact O-N 3.08Å; T51-Y53 WeakPolarHBondContact O-CD2 3.48Å; T51-Y53 WeakPolarHBondContact O-CE2 3.17Å; T51-Y53 PolarHBondContact O-N 3.25Å; T51-Y53 WeakPolarHBondContact OG1-CE2 3.43Å | ||
| 52 | M | 75.5 | Confident | 76.3 | Confident | 78 Ų | 78 | 122 Ų | 122 | 38% | 0.384 | 61% | 0.614 | S | S | . | * | trans | -74.3 | 114.6 | 179.4 | -84.5 | 165.9 | -171.2 | 0 | 0 | 108.3 | H50 F54 K66 M67 | H50-M52 PolarHBondContact O-N 3.44Å; M52-F54 PolarHBondContact O-N 3.23Å; M52-K66 WeakPolarHBondContact CE-O 3.39Å; M52-M67 HydrophobicContact CB-CE 3.42Å; M52-M67 VanDerWaalsContact CB-CE 3.42Å; M52-M67 HydrophobicContact CG-CE 3.94Å; M52-M67 WeakPolarHBondContact SD-CA 3.33Å; M52-M67 HydrophobicContact SD-CE 3.17Å; M52-M67 WeakPolarHBondContact SD-CE 3.49Å; M52-M67 HydrophobicContact SD-CG 4.46Å; M52-M67 HydrophobicContact SD-SD 4.11Å | ||
| 53 | Y | 85.4 | Confident | 77.6 | Confident | 182 Ų | 182 | 118.8 Ų | 118.8 | 71% | 0.714 | 59% | 0.594 | S | S | * | * | trans | -83.4 | 111 | 176.9 | -68 | -82.9 | 0 | 0 | 0 | 109.6 | T51 K66 | T51-Y53 WeakPolarHBondContact O-CD2 3.48Å; T51-Y53 WeakPolarHBondContact O-CE2 3.17Å; T51-Y53 PolarHBondContact O-N 3.25Å; T51-Y53 WeakPolarHBondContact OG1-CE2 3.43Å; Y53-K66 PolarHBondContact O-NZ 3.32Å | ||
| 54 | F | 89.8 | Confident | 78.9 | Confident | 101 Ų | 101 | 115.4 Ų | 115.4 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | trans | -86.4 | 133.4 | 168.1 | -62.6 | -63 | 0 | 0 | 0 | 110.5 | M52 D58 R63 K66 M67 | M52-F54 PolarHBondContact O-N 3.23Å; F54-D58 WeakPolarHBondContact CA-OD2 3.38Å; F54-R63 HydrophobicContact CD1-CB 4.11Å; F54-R63 HydrophobicContact CD1-CG 3.79Å; F54-R63 HydrophobicContact CE1-CB 3.82Å; F54-R63 HydrophobicContact CE1-CG 4.04Å; F54-K66 HydrophobicContact CD1-CD 4.04Å; F54-K66 HydrophobicContact CE1-CB 4.05Å; F54-K66 HydrophobicContact CE1-CD 4.38Å; F54-M67 HydrophobicContact CE1-CE 4Å; F54-M67 HydrophobicContact CE1-CG 4.13Å; F54-M67 HydrophobicContact CE2-CE 3.45Å; F54-M67 VanDerWaalsContact CE2-CE 3.45Å; F54-M67 HydrophobicContact CE2-SD 4.37Å; F54-M67 HydrophobicContact CZ-CE 3.06Å; F54-M67 HydrophobicContact CZ-CG 3.6Å; F54-M67 HydrophobicContact CZ-SD 3.74Å | ||
| 55 | K | 92.5 | Very high | 80.2 | Confident | 141 Ų | 141 | 114.3 Ų | 114.3 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | trans | -93 | 151.1 | 171.2 | -58.3 | -179.8 | 177.1 | -178 | 0 | 108.7 | T57 D58 | K55-T57 PolarHBondContact O-N 3.4Å; K55-D58 PolarHBondContact N-OD2 3.23Å; K55-D58 WeakPolarHBondContact O-CB 3.45Å; K55-D58 PolarHBondContact O-N 2.9Å; K55-D58 VanDerWaalsContact O-N 3.08Å | ||
| 56 | S | 92.7 | Very high | 81.7 | Confident | 131 Ų | 131 | 112.4 Ų | 112.4 | 92% | 0.916 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -25.5 | 174.2 | 53 | 0 | 0 | 0 | 0 | 113 | ||
| 57 | T | 95 | Very high | 83.1 | Confident | 118 Ų | 118 | 110 Ų | 110 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.7 | 178.1 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | K55 S59 | K55-T57 PolarHBondContact O-N 3.4Å; T57-S59 PolarHBondContact O-N 3.39Å |
| 58 | D | 92 | Very high | 84.2 | Confident | 18 Ų | 18 | 106 Ų | 106 | 10% | 0.096 | 54% | 0.542 | C | S | . | . | trans | -68.7 | 126.3 | -176.3 | -70.8 | -21.5 | 0 | 0 | 0 | 110.8 | F54 K55 I62 R63 K66 | F54-D58 WeakPolarHBondContact CA-OD2 3.38Å; K55-D58 PolarHBondContact N-OD2 3.23Å; K55-D58 WeakPolarHBondContact O-CB 3.45Å; K55-D58 PolarHBondContact O-N 2.9Å; K55-D58 VanDerWaalsContact O-N 3.08Å; D58-I62 HydrophobicContact CB-CB 4.25Å; D58-I62 HydrophobicContact CB-CG2 3.95Å; D58-R63 HydrophobicContact CB-CG 3.56Å; D58-K66 IonicContact OD1-NZ 3.29Å; D58-K66 PolarHBondContact OD1-NZ 3.2Å; D58-K66 IonicContact OD2-NZ 2.68Å; D58-K66 PolarHBondContact OD2-NZ 2.78Å | ||
| 59 | S | 94.6 | Very high | 85.5 | Confident | 47 Ų | 47 | 99.5 Ų | 99.5 | 33% | 0.329 | 52% | 0.521 | S | S | . | . | trans | -64.6 | 159 | 171.6 | 75.2 | 0 | 0 | 0 | 0 | 111.1 | T57 Y61 I62 R63 | T57-S59 PolarHBondContact O-N 3.39Å; S59-Y61 PolarHBondContact O-N 3.18Å; S59-I62 PolarHBondContact O-N 3.33Å; S59-I62 VanDerWaalsContact O-N 3.08Å; S59-I62 WeakPolarHBondContact OG-CG1 3.46Å; S59-I62 PolarHBondContact OG-N 2.83Å; S59-R63 WeakPolarHBondContact O-CG 3.49Å; S59-R63 PolarHBondContact O-N 3.41Å | ||
| 60 | P | 90.3 | Very high | 86.5 | Confident | 88 Ų | 88 | 98.1 Ų | 98.1 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -50.6 | -40.3 | 174 | -26.8 | 34.5 | 0 | 0 | 0 | 113.1 | R63 L64 | P60-R63 PolarHBondContact O-N 3.4Å; P60-L64 WeakPolarHBondContact O-CG 3.5Å; P60-L64 PolarHBondContact O-N 3.09Å; P60-L64 VanDerWaalsContact O-N 3.09Å |
| 61 | Y | 89.5 | Confident | 87 | Confident | 171 Ų | 171 | 97 Ų | 97 | 67% | 0.671 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -48 | 175.9 | 175.8 | -99.8 | 0 | 0 | 0 | 112.5 | S59 R63 L64 S65 | S59-Y61 PolarHBondContact O-N 3.18Å; Y61-R63 VanDerWaalsContact C-N 3.27Å; Y61-R63 PolarHBondContact O-N 3.4Å; Y61-L64 WeakPolarHBondContact O-CB 3.42Å; Y61-L64 PolarHBondContact O-N 3.4Å; Y61-S65 PolarHBondContact O-N 3.24Å; Y61-S65 PolarHBondContact O-OG 3.02Å |
| 62 | I | 91.6 | Very high | 87.4 | Confident | 71 Ų | 71 | 96.7 Ų | 96.7 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | -179.9 | -68.6 | 167.6 | 0 | 0 | 0 | 110.7 | D58 S59 S65 K66 | D58-I62 HydrophobicContact CB-CB 4.25Å; D58-I62 HydrophobicContact CB-CG2 3.95Å; S59-I62 PolarHBondContact O-N 3.33Å; S59-I62 VanDerWaalsContact O-N 3.08Å; S59-I62 WeakPolarHBondContact OG-CG1 3.46Å; S59-I62 PolarHBondContact OG-N 2.83Å; I62-S65 PolarHBondContact O-N 2.93Å; I62-K66 HydrophobicContact CG2-CD 4.36Å; I62-K66 WeakPolarHBondContact O-CB 3.42Å; I62-K66 WeakPolarHBondContact O-CG 2.77Å; I62-K66 PolarHBondContact O-N 2.97Å |
| 63 | R | 92 | Very high | 87.2 | Confident | 120 Ų | 120 | 99.8 Ų | 99.8 | 45% | 0.453 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.1 | -67.4 | -174.1 | -74.3 | 168.2 | -1.3 | 112 | F54 D58 S59 P60 Y61 K66 M67 | F54-R63 HydrophobicContact CD1-CB 4.11Å; F54-R63 HydrophobicContact CD1-CG 3.79Å; F54-R63 HydrophobicContact CE1-CB 3.82Å; F54-R63 HydrophobicContact CE1-CG 4.04Å; D58-R63 HydrophobicContact CB-CG 3.56Å; S59-R63 WeakPolarHBondContact O-CG 3.49Å; S59-R63 PolarHBondContact O-N 3.41Å; P60-R63 PolarHBondContact O-N 3.4Å; Y61-R63 VanDerWaalsContact C-N 3.27Å; Y61-R63 PolarHBondContact O-N 3.4Å; R63-K66 PolarHBondContact O-N 3.25Å; R63-M67 WeakPolarHBondContact O-CG 3.46Å; R63-M67 PolarHBondContact O-N 2.85Å; R63-M67 VanDerWaalsContact O-N 3.12Å |
| 64 | L | 87.3 | Confident | 86.5 | Confident | 100 Ų | 100 | 98.4 Ų | 98.4 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 174.5 | -74 | 170.9 | 0 | 0 | 0 | 111.5 | P60 Y61 K66 M67 G68 G69 | P60-L64 WeakPolarHBondContact O-CG 3.5Å; P60-L64 PolarHBondContact O-N 3.09Å; P60-L64 VanDerWaalsContact O-N 3.09Å; Y61-L64 WeakPolarHBondContact O-CB 3.42Å; Y61-L64 PolarHBondContact O-N 3.4Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.25Å; L64-M67 WeakPolarHBondContact O-CA 3.37Å; L64-M67 WeakPolarHBondContact O-CB 3.34Å; L64-M67 PolarHBondContact O-N 3.14Å; L64-M67 VanDerWaalsContact O-N 3.1Å; L64-G68 PolarHBondContact O-N 3.36Å; L64-G69 WeakPolarHBondContact O-CA 3.5Å; L64-G69 PolarHBondContact O-N 3.28Å |
| 65 | S | 86.9 | Confident | 85.8 | Confident | 59 Ų | 59 | 97.6 Ų | 97.6 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 178.6 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | Y61 I62 M67 G68 | Y61-S65 PolarHBondContact O-N 3.24Å; Y61-S65 PolarHBondContact O-OG 3.02Å; I62-S65 PolarHBondContact O-N 2.93Å; S65-M67 VanDerWaalsContact C-N 3.31Å; S65-M67 PolarHBondContact O-N 2.88Å; S65-G68 PolarHBondContact O-N 2.99Å; S65-G68 VanDerWaalsContact O-N 3.09Å |
| 66 | K | 89.7 | Confident | 84.8 | Confident | 63 Ų | 63 | 100.4 Ų | 100.4 | 27% | 0.274 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57 | -47.4 | 173.2 | -80.6 | 179.3 | 178.3 | -177.6 | 0 | 110.6 | M52 Y53 F54 D58 I62 R63 L64 G68 | M52-K66 WeakPolarHBondContact CE-O 3.39Å; Y53-K66 PolarHBondContact O-NZ 3.32Å; F54-K66 HydrophobicContact CD1-CD 4.04Å; F54-K66 HydrophobicContact CE1-CB 4.05Å; F54-K66 HydrophobicContact CE1-CD 4.38Å; D58-K66 IonicContact OD1-NZ 3.29Å; D58-K66 PolarHBondContact OD1-NZ 3.2Å; D58-K66 IonicContact OD2-NZ 2.68Å; D58-K66 PolarHBondContact OD2-NZ 2.78Å; I62-K66 HydrophobicContact CG2-CD 4.36Å; I62-K66 WeakPolarHBondContact O-CB 3.42Å; I62-K66 WeakPolarHBondContact O-CG 2.77Å; I62-K66 PolarHBondContact O-N 2.97Å; R63-K66 PolarHBondContact O-N 3.25Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.25Å; K66-G68 PolarHBondContact O-N 2.77Å |
| 67 | M | 86.1 | Confident | 83.9 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -0 | 177.2 | -68.1 | -79.9 | 114.7 | 0 | 0 | 115.4 | M52 F54 R63 L64 S65 | M52-M67 HydrophobicContact CB-CE 3.42Å; M52-M67 VanDerWaalsContact CB-CE 3.42Å; M52-M67 HydrophobicContact CG-CE 3.94Å; M52-M67 WeakPolarHBondContact SD-CA 3.33Å; M52-M67 HydrophobicContact SD-CE 3.17Å; M52-M67 WeakPolarHBondContact SD-CE 3.49Å; M52-M67 HydrophobicContact SD-CG 4.46Å; M52-M67 HydrophobicContact SD-SD 4.11Å; F54-M67 HydrophobicContact CE1-CE 4Å; F54-M67 HydrophobicContact CE1-CG 4.13Å; F54-M67 HydrophobicContact CE2-CE 3.45Å; F54-M67 VanDerWaalsContact CE2-CE 3.45Å; F54-M67 HydrophobicContact CE2-SD 4.37Å; F54-M67 HydrophobicContact CZ-CE 3.06Å; F54-M67 HydrophobicContact CZ-CG 3.6Å; F54-M67 HydrophobicContact CZ-SD 3.74Å; R63-M67 WeakPolarHBondContact O-CG 3.46Å; R63-M67 PolarHBondContact O-N 2.85Å; R63-M67 VanDerWaalsContact O-N 3.12Å; L64-M67 WeakPolarHBondContact O-CA 3.37Å; L64-M67 WeakPolarHBondContact O-CB 3.34Å; L64-M67 PolarHBondContact O-N 3.14Å; L64-M67 VanDerWaalsContact O-N 3.1Å; S65-M67 VanDerWaalsContact C-N 3.31Å; S65-M67 PolarHBondContact O-N 2.88Å |
| 68 | G | 84.4 | Confident | 83.1 | Confident | 68 Ų | 68 | 106.3 Ų | 106.3 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85 | 14.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L64 S65 K66 | L64-G68 PolarHBondContact O-N 3.36Å; S65-G68 PolarHBondContact O-N 2.99Å; S65-G68 VanDerWaalsContact O-N 3.09Å; K66-G68 PolarHBondContact O-N 2.77Å |
| 69 | G | 85.7 | Confident | 82.4 | Confident | 26 Ų | 26 | 112.9 Ų | 112.9 | 27% | 0.268 | 59% | 0.587 | S | S | . | * | S | Bend | trans | 87.8 | -156.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L64 | L64-G69 WeakPolarHBondContact O-CA 3.5Å; L64-G69 PolarHBondContact O-N 3.28Å |
| 70 | K | 81.6 | Confident | 81.7 | Confident | 141 Ų | 141 | 117.5 Ų | 117.5 | 61% | 0.613 | 60% | 0.603 | S | S | * | * | trans | -79.4 | 123.7 | 176.3 | -177.1 | 169.6 | -179.2 | 165.9 | 0 | 108.1 | D72 L73 | K70-D72 PolarHBondContact O-N 2.99Å; K70-L73 HydrophobicContact CB-CD2 3.94Å; K70-L73 WeakPolarHBondContact O-CG 3.27Å | ||
| 71 | P | 75.3 | Confident | 81.3 | Confident | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -30.8 | -176.2 | 23.4 | -33.2 | 0 | 0 | 0 | 112.6 | L73 | P71-L73 PolarHBondContact O-N 2.9Š|
| 72 | D | 76.7 | Confident | 80.9 | Confident | 93 Ų | 93 | 121 Ų | 121 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.7 | 46.3 | -168.6 | -62.2 | -18.2 | 0 | 0 | 0 | 112.6 | K70 L74 C75 | K70-D72 PolarHBondContact O-N 2.99Å; D72-L74 PolarHBondContact O-N 3.37Å; D72-C75 HydrophobicContact CB-CB 3.88Å; D72-C75 PolarHBondContact O-N 3.06Å |
| 73 | L | 71.4 | Confident | 80.5 | Confident | 143 Ų | 143 | 122.1 Ų | 122.1 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -30.3 | -179.1 | -67.5 | 179.1 | 0 | 0 | 0 | 113.4 | K70 P71 | K70-L73 HydrophobicContact CB-CD2 3.94Å; K70-L73 WeakPolarHBondContact O-CG 3.27Å; P71-L73 PolarHBondContact O-N 2.9Å |
| 74 | L | 71 | Confident | 80.3 | Confident | 153 Ų | 153 | 118.2 Ų | 118.2 | 80% | 0.801 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 1.9 | -178.2 | -63.5 | 176.9 | 0 | 0 | 0 | 113.3 | D72 F76 | D72-L74 PolarHBondContact O-N 3.37Å; L74-F76 WeakPolarHBondContact O-CD2 3.39Å; L74-F76 PolarHBondContact O-N 3.34Å |
| 75 | C | 74.5 | Confident | 80.4 | Confident | 84 Ų | 84 | 118.8 Ų | 118.8 | 57% | 0.568 | 64% | 0.635 | S | S | * | * | trans | -80.3 | 107.4 | 174.4 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | D72 R77 | D72-C75 HydrophobicContact CB-CB 3.88Å; D72-C75 PolarHBondContact O-N 3.06Å; C75-R77 VanDerWaalsContact C-N 3.28Å; C75-R77 PolarHBondContact O-N 3.44Å | ||
| 76 | F | 72 | Confident | 80.4 | Confident | 200 Ų | 200 | 121.9 Ų | 121.9 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | trans | -73.3 | 86.5 | 167 | -62.2 | -87 | 0 | 0 | 0 | 108.4 | L74 | L74-F76 WeakPolarHBondContact O-CD2 3.39Å; L74-F76 PolarHBondContact O-N 3.34Å | ||
| 77 | R | 74.3 | Confident | 80.2 | Confident | 194 Ų | 194 | 124.7 Ų | 124.7 | 73% | 0.732 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 121.6 | 162.4 | -173.9 | 171.7 | 173.1 | 165.6 | -2.7 | 106.9 | C75 N79 E80 | C75-R77 VanDerWaalsContact C-N 3.28Å; C75-R77 PolarHBondContact O-N 3.44Å; R77-N79 PolarHBondContact O-N 2.96Å; R77-E80 IonicContact CZ-OE1 3.17Å; R77-E80 IonicContact NE-OE1 3.07Å; R77-E80 IonicContact NH2-OE1 2.68Å; R77-E80 PolarHBondContact NH2-OE1 3.07Å |
| 78 | E | 78.6 | Confident | 80.4 | Confident | 178 Ų | 178 | 125.2 Ų | 125.2 | 83% | 0.832 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -56 | 127 | 169.1 | -69.6 | -178.7 | 177.3 | 0 | 0 | 108.1 | E80 | E78-E80 PolarHBondContact O-N 2.94Š|
| 79 | N | 76.3 | Confident | 80.6 | Confident | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 136.2 | 175 | -78.1 | -16.1 | 0 | 0 | 0 | 108.2 | R77 Y81 | R77-N79 PolarHBondContact O-N 2.96Å; N79-Y81 PolarHBondContact O-N 3.41Å |
| 80 | E | 81.5 | Confident | 80.7 | Confident | 144 Ų | 144 | 137.1 Ų | 137.1 | 67% | 0.673 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 136.3 | 171.8 | -56.6 | -66.5 | 152 | 0 | 0 | 108.8 | R77 E78 N82 | R77-E80 IonicContact CZ-OE1 3.17Å; R77-E80 IonicContact NE-OE1 3.07Å; R77-E80 IonicContact NH2-OE1 2.68Å; R77-E80 PolarHBondContact NH2-OE1 3.07Å; E78-E80 PolarHBondContact O-N 2.94Å; E80-N82 PolarHBondContact O-N 3.48Å |
| 81 | Y | 81 | Confident | 81.1 | Confident | 204 Ų | 204 | 136.5 Ų | 136.5 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | trans | -61.5 | 103.9 | 179.8 | 179.4 | -102 | 0 | 0 | 0 | 109.4 | N79 S83 | N79-Y81 PolarHBondContact O-N 3.41Å; Y81-S83 PolarHBondContact O-N 3.29Å; Y81-S83 VanDerWaalsContact O-N 3.14Å | ||
| 82 | N | 80.2 | Confident | 81.7 | Confident | 128 Ų | 128 | 134.3 Ų | 134.3 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | trans | -80.7 | 95.5 | 174 | -169.8 | -8.2 | 0 | 0 | 0 | 108.5 | E80 G84 | E80-N82 PolarHBondContact O-N 3.48Å; N82-G84 PolarHBondContact O-N 2.9Å; N82-G84 WeakPolarHBondContact OD1-CA 3.48Å; N82-G84 PolarHBondContact OD1-N 3.15Å | ||
| 83 | S | 83.9 | Confident | 82.2 | Confident | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | trans | -76.1 | -1.2 | 174.6 | -166.7 | 0 | 0 | 0 | 0 | 113.3 | Y81 | Y81-S83 PolarHBondContact O-N 3.29Å; Y81-S83 VanDerWaalsContact O-N 3.14Å | ||
| 84 | G | 87.3 | Confident | 83 | Confident | 37 Ų | 37 | 141.9 Ų | 141.9 | 38% | 0.381 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -72.9 | 159.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N82 | N82-G84 PolarHBondContact O-N 2.9Å; N82-G84 WeakPolarHBondContact OD1-CA 3.48Å; N82-G84 PolarHBondContact OD1-N 3.15Å |
| 85 | P | 89.6 | Confident | 83.8 | Confident | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59 | 148.3 | 168 | 27.1 | -33.5 | 0 | 0 | 0 | 110.2 | V87 | P85-V87 PolarHBondContact O-N 3Š|
| 86 | P | 86.7 | Confident | 84.6 | Confident | 124 Ų | 124 | 141.7 Ų | 141.7 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 128.3 | 177.6 | 24.5 | -32.8 | 0 | 0 | 0 | 110 | P88 | P86-P88 WeakPolarHBondContact O-CD 3.44Š|
| 87 | V | 86.7 | Confident | 85.5 | Confident | 123 Ų | 123 | 138.4 Ų | 138.4 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 119.3 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | P85 | P85-V87 PolarHBondContact O-N 3Š|
| 88 | P | 89.5 | Confident | 86.2 | Confident | 107 Ų | 107 | 136.1 Ų | 136.1 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 139.7 | 176.7 | 27.9 | -33.4 | 0 | 0 | 0 | 109.3 | P86 C90 | P86-P88 WeakPolarHBondContact O-CD 3.44Å; P88-C90 PolarHBondContact O-N 2.94Å |
| 89 | Y | 88.6 | Confident | 86.8 | Confident | 227 Ų | 227 | 130 Ų | 130 | 89% | 0.89 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 134.7 | 171.9 | -66.2 | -79.8 | 0 | 0 | 0 | 109.3 | ||
| 90 | C | 88.8 | Confident | 87.3 | Confident | 117 Ų | 117 | 125.1 Ų | 125.1 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 146.8 | 167.7 | -66.2 | 0 | 0 | 0 | 0 | 108.9 | P88 C92 | P88-C90 PolarHBondContact O-N 2.94Å; C90-C92 PolarHBondContact O-N 3.29Å |
| 91 | R | 88.7 | Confident | 87.7 | Confident | 128 Ų | 128 | 120.3 Ų | 120.3 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 133.5 | 169.2 | -170.4 | -179.2 | -173.1 | -151.3 | 8.1 | 108.4 | Y96 D99 | R91-Y96 HydrophobicContact CG-CD2 4.48Å; R91-Y96 HydrophobicContact CG-CE2 3.66Å; R91-Y96 VanDerWaalsContact CZ-CD2 3.47Å; R91-Y96 VanDerWaalsContact NH2-CB 3.32Å; R91-D99 IonicContact CZ-OD1 3.87Å; R91-D99 IonicContact CZ-OD2 3.2Å; R91-D99 VanDerWaalsContact NH1-CG 3.34Å; R91-D99 IonicContact NH1-OD1 3.92Å; R91-D99 PolarHBondContact NH1-OD1 2.8Å; R91-D99 IonicContact NH1-OD2 2.81Å; R91-D99 PolarHBondContact NH1-OD2 3.15Å; R91-D99 VanDerWaalsContact NH1-OD2 3.07Å; R91-D99 IonicContact NH2-OD1 2.97Å; R91-D99 PolarHBondContact NH2-OD1 2.68Å; R91-D99 IonicContact NH2-OD2 2.69Å; R91-D99 PolarHBondContact NH2-OD2 2.87Å |
| 92 | C | 88.6 | Confident | 88.1 | Confident | 72 Ų | 72 | 114.8 Ų | 114.8 | 49% | 0.486 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 153.7 | 177.9 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | C90 W94 Y96 | C90-C92 PolarHBondContact O-N 3.29Å; C92-W94 HydrophobicContact CB-CB 4.39Å; C92-W94 HydrophobicContact CB-CG 4.23Å; C92-W94 PolarHBondContact O-N 3.07Å; C92-Y96 WeakPolarHBondContact CB-OH 3.44Å; C92-Y96 PolarHBondContact N-OH 2.81Å; C92-Y96 VanDerWaalsContact O-CE2 3.26Å; C92-Y96 WeakPolarHBondContact O-CE2 3.26Å |
| 93 | E | 86.4 | Confident | 88.4 | Confident | 192 Ų | 192 | 113.8 Ų | 113.8 | 90% | 0.897 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -77.6 | 38.6 | 172.7 | -64 | -63.2 | 135.6 | 0 | 0 | 112 | ||
| 94 | W | 89.7 | Confident | 88.4 | Confident | 204 Ų | 204 | 118.7 Ų | 118.7 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -97.1 | 155.8 | 179.6 | -75.4 | 20.4 | 0 | 0 | 0 | 110 | C92 Y96 | C92-W94 HydrophobicContact CB-CB 4.39Å; C92-W94 HydrophobicContact CB-CG 4.23Å; C92-W94 PolarHBondContact O-N 3.07Å; W94-Y96 HydrophobicContact CB-CE2 4.49Å; W94-Y96 WeakPolarHBondContact O-CD2 3.25Å; W94-Y96 VanDerWaalsContact O-CE2 3.25Å; W94-Y96 WeakPolarHBondContact O-CE2 3Å; W94-Y96 PolarHBondContact O-N 2.69Å |
| 95 | F | 87.1 | Confident | 88.2 | Confident | 159 Ų | 159 | 125.1 Ų | 125.1 | 70% | 0.697 | 62% | 0.619 | S | S | * | * | trans | -64.8 | 128.5 | 173.3 | 97.5 | -87.8 | 0 | 0 | 0 | 109 | L97 | F95-L97 HydrophobicContact CE2-CD2 3.93Å; F95-L97 HydrophobicContact CE2-CG 4.4Å | ||
| 96 | Y | 91.1 | Very high | 87.9 | Confident | 73 Ų | 73 | 126.4 Ų | 126.4 | 29% | 0.286 | 62% | 0.616 | S | S | . | * | trans | -113.9 | 140.2 | 172.1 | -65.5 | -86.5 | 0 | 0 | 0 | 110.1 | R91 C92 W94 E98 D99 N100 | R91-Y96 HydrophobicContact CG-CD2 4.48Å; R91-Y96 HydrophobicContact CG-CE2 3.66Å; R91-Y96 VanDerWaalsContact CZ-CD2 3.47Å; R91-Y96 VanDerWaalsContact NH2-CB 3.32Å; C92-Y96 WeakPolarHBondContact CB-OH 3.44Å; C92-Y96 PolarHBondContact N-OH 2.81Å; C92-Y96 VanDerWaalsContact O-CE2 3.26Å; C92-Y96 WeakPolarHBondContact O-CE2 3.26Å; W94-Y96 HydrophobicContact CB-CE2 4.49Å; W94-Y96 WeakPolarHBondContact O-CD2 3.25Å; W94-Y96 VanDerWaalsContact O-CE2 3.25Å; W94-Y96 WeakPolarHBondContact O-CE2 3Å; W94-Y96 PolarHBondContact O-N 2.69Å; Y96-E98 PolarHBondContact O-N 3.31Å; Y96-D99 PolarHBondContact O-N 3.28Å; Y96-D99 VanDerWaalsContact O-N 3.15Å; Y96-N100 PolarHBondContact O-N 3.31Å | ||
| 97 | L | 90.5 | Very high | 87.6 | Confident | 131 Ų | 131 | 125.4 Ų | 125.4 | 69% | 0.686 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62 | -27.2 | 175.1 | -66.3 | 175.4 | 0 | 0 | 0 | 112.4 | F95 N100 A101 | F95-L97 HydrophobicContact CE2-CD2 3.93Å; F95-L97 HydrophobicContact CE2-CG 4.4Å; L97-N100 PolarHBondContact O-N 3.24Å; L97-A101 VanDerWaalsContact O-CB 3.3Å; L97-A101 WeakPolarHBondContact O-CB 3.5Å; L97-A101 PolarHBondContact O-N 2.92Å |
| 98 | E | 89.6 | Confident | 86.7 | Confident | 147 Ų | 147 | 126.6 Ų | 126.6 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.7 | -41.2 | 175.3 | -64.7 | 177.8 | -174.6 | 0 | 0 | 111.9 | Y96 A101 L102 | Y96-E98 PolarHBondContact O-N 3.31Å; E98-A101 PolarHBondContact O-N 3.21Å; E98-L102 VanDerWaalsContact O-CB 3.27Å; E98-L102 WeakPolarHBondContact O-CB 3.4Å; E98-L102 PolarHBondContact O-N 3.46Å |
| 99 | D | 90.8 | Very high | 85.6 | Confident | 49 Ų | 49 | 129 Ų | 129 | 26% | 0.262 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65 | -46.7 | 176.1 | -61.4 | -32.1 | 0 | 0 | 0 | 110 | R91 Y96 A101 L102 E103 | R91-D99 IonicContact CZ-OD1 3.87Å; R91-D99 IonicContact CZ-OD2 3.2Å; R91-D99 VanDerWaalsContact NH1-CG 3.34Å; R91-D99 IonicContact NH1-OD1 3.92Å; R91-D99 PolarHBondContact NH1-OD1 2.8Å; R91-D99 IonicContact NH1-OD2 2.81Å; R91-D99 PolarHBondContact NH1-OD2 3.15Å; R91-D99 VanDerWaalsContact NH1-OD2 3.07Å; R91-D99 IonicContact NH2-OD1 2.97Å; R91-D99 PolarHBondContact NH2-OD1 2.68Å; R91-D99 IonicContact NH2-OD2 2.69Å; R91-D99 PolarHBondContact NH2-OD2 2.87Å; Y96-D99 PolarHBondContact O-N 3.28Å; Y96-D99 VanDerWaalsContact O-N 3.15Å; D99-A101 VanDerWaalsContact C-N 3.27Å; D99-A101 PolarHBondContact O-N 3.1Å; D99-L102 WeakPolarHBondContact O-CB 3.49Å; D99-L102 PolarHBondContact O-N 3.3Å; D99-L102 VanDerWaalsContact O-N 3.1Å; D99-E103 WeakPolarHBondContact O-CB 3.27Å; D99-E103 WeakPolarHBondContact O-CG 3.3Å; D99-E103 PolarHBondContact O-N 2.8Å |
| 100 | N | 87.9 | Confident | 84.6 | Confident | 55 Ų | 55 | 123.2 Ų | 123.2 | 29% | 0.294 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.6 | -39.2 | 176 | -64.8 | -9.5 | 0 | 0 | 0 | 112 | Y96 L97 R104 | Y96-N100 PolarHBondContact O-N 3.31Å; L97-N100 PolarHBondContact O-N 3.24Å; N100-R104 WeakPolarHBondContact O-CB 3.44Å; N100-R104 VanDerWaalsContact O-CG 3.31Å; N100-R104 WeakPolarHBondContact O-CG 3.41Å; N100-R104 PolarHBondContact O-N 3.11Å |
| 101 | A | 88.6 | Confident | 83.4 | Confident | 42 Ų | 42 | 125.7 Ų | 125.7 | 35% | 0.347 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.3 | -36.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L97 E98 D99 K105 | L97-A101 VanDerWaalsContact O-CB 3.3Å; L97-A101 WeakPolarHBondContact O-CB 3.5Å; L97-A101 PolarHBondContact O-N 2.92Å; E98-A101 PolarHBondContact O-N 3.21Å; D99-A101 VanDerWaalsContact C-N 3.27Å; D99-A101 PolarHBondContact O-N 3.1Å; A101-K105 WeakPolarHBondContact O-CG 3.31Å; A101-K105 PolarHBondContact O-N 3.48Å; A101-K105 VanDerWaalsContact O-N 3.09Å |
| 102 | L | 89.8 | Confident | 82.2 | Confident | 89 Ų | 89 | 125 Ų | 125 | 47% | 0.466 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.5 | -43.9 | 176.3 | -173.7 | 154.3 | 0 | 0 | 0 | 110.7 | E98 D99 R104 K105 Q106 | E98-L102 VanDerWaalsContact O-CB 3.27Å; E98-L102 WeakPolarHBondContact O-CB 3.4Å; E98-L102 PolarHBondContact O-N 3.46Å; D99-L102 WeakPolarHBondContact O-CB 3.49Å; D99-L102 PolarHBondContact O-N 3.3Å; D99-L102 VanDerWaalsContact O-N 3.1Å; L102-R104 PolarHBondContact O-N 2.96Å; L102-K105 PolarHBondContact O-N 3.21Å; L102-K105 VanDerWaalsContact O-N 3.11Å; L102-Q106 HydrophobicContact CD2-CG 4.26Å; L102-Q106 WeakPolarHBondContact O-CG 3.3Å; L102-Q106 PolarHBondContact O-N 2.79Å |
| 103 | E | 86.8 | Confident | 81.4 | Confident | 107 Ų | 107 | 127.7 Ų | 127.7 | 50% | 0.5 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -58.9 | -44.1 | 171.6 | -73.9 | -178.8 | -179.1 | 0 | 0 | 111.7 | D99 K105 Q106 N107 | D99-E103 WeakPolarHBondContact O-CB 3.27Å; D99-E103 WeakPolarHBondContact O-CG 3.3Å; D99-E103 PolarHBondContact O-N 2.8Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.29Å; E103-Q106 PolarHBondContact O-N 3.34Å; E103-N107 VanDerWaalsContact O-CB 3.3Å; E103-N107 WeakPolarHBondContact O-CB 3.33Å; E103-N107 PolarHBondContact O-N 2.95Å; E103-N107 PolarHBondContact O-ND2 2.88Å |
| 104 | R | 83.8 | Confident | 81.2 | Confident | 198 Ų | 198 | 127.6 Ų | 127.6 | 75% | 0.747 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.6 | -27.9 | 174.4 | -78.5 | -178 | -168 | 160.8 | 3.9 | 114 | N100 L102 | N100-R104 WeakPolarHBondContact O-CB 3.44Å; N100-R104 VanDerWaalsContact O-CG 3.31Å; N100-R104 WeakPolarHBondContact O-CG 3.41Å; N100-R104 PolarHBondContact O-N 3.11Å; L102-R104 PolarHBondContact O-N 2.96Å |
| 105 | K | 83.8 | Confident | 80.9 | Confident | 171 Ų | 171 | 126.9 Ų | 126.9 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.7 | -34.1 | 175.2 | -74.8 | 173.2 | -179 | 179.4 | 0 | 111.5 | A101 L102 E103 | A101-K105 WeakPolarHBondContact O-CG 3.31Å; A101-K105 PolarHBondContact O-N 3.48Å; A101-K105 VanDerWaalsContact O-N 3.09Å; L102-K105 PolarHBondContact O-N 3.21Å; L102-K105 VanDerWaalsContact O-N 3.11Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.29Å |
| 106 | Q | 83.2 | Confident | 80.7 | Confident | 139 Ų | 139 | 124.3 Ų | 124.3 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.7 | -42.7 | 177.2 | -71.8 | -176.7 | 9 | 0 | 0 | 112 | L102 E103 I108 | L102-Q106 HydrophobicContact CD2-CG 4.26Å; L102-Q106 WeakPolarHBondContact O-CG 3.3Å; L102-Q106 PolarHBondContact O-N 2.79Å; E103-Q106 PolarHBondContact O-N 3.34Å; Q106-I108 PolarHBondContact O-N 3.09Å |
| 107 | N | 79.2 | Confident | 80.4 | Confident | 103 Ų | 103 | 127.3 Ų | 127.3 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -74.2 | 83.4 | 167.3 | -64.1 | -33.3 | 0 | 0 | 0 | 106.7 | E103 E109 | E103-N107 VanDerWaalsContact O-CB 3.3Å; E103-N107 WeakPolarHBondContact O-CB 3.33Å; E103-N107 PolarHBondContact O-N 2.95Å; E103-N107 PolarHBondContact O-ND2 2.88Å; N107-E109 PolarHBondContact O-N 2.69Å |
| 108 | I | 68.5 | Low | 80 | Confident | 149 Ų | 149 | 129.7 Ų | 129.7 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | trans | -61.2 | 83.7 | 166.5 | -59 | 162.4 | 0 | 0 | 0 | 105.6 | Q106 | Q106-I108 PolarHBondContact O-N 3.09Š| ||
| 109 | E | 66 | Low | 79.7 | Confident | 156 Ų | 156 | 125.9 Ų | 125.9 | 73% | 0.729 | 62% | 0.622 | S | S | * | * | trans | -54.2 | 129 | 165.2 | -78.6 | -85.2 | 159.3 | 0 | 0 | 105.5 | N107 E111 | N107-E109 PolarHBondContact O-N 2.69Å; E109-E111 PolarHBondContact O-N 3.2Å | ||
| 110 | P | 66.8 | Low | 79.5 | Confident | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -50.9 | 132.6 | 173.4 | 23.5 | -32.4 | 0 | 0 | 0 | 107.7 | ||
| 111 | E | 64.8 | Low | 79 | Confident | 168 Ų | 168 | 131.5 Ų | 131.5 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -16.9 | 124.9 | 179.7 | -77.7 | -71.5 | 134.7 | 0 | 0 | 112.7 | E109 T113 | E109-E111 PolarHBondContact O-N 3.2Å; E111-T113 PolarHBondContact O-N 2.93Å |
| 112 | P | 62.8 | Low | 78.7 | Confident | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 66% | 0.661 | S | S | * | * | trans | -55.3 | 102.8 | -171.4 | 24.7 | -34.2 | 0 | 0 | 0 | 108.4 | K114 | P112-K114 PolarHBondContact O-N 2.87Š| ||
| 113 | T | 71.9 | Confident | 78.5 | Confident | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -53.8 | 117.3 | 168 | 52.3 | 0 | 0 | 0 | 0 | 104.4 | E111 Y115 | E111-T113 PolarHBondContact O-N 2.93Å; T113-Y115 PolarHBondContact O-N 2.71Å | ||
| 114 | K | 81.7 | Confident | 78.1 | Confident | 190 Ų | 190 | 135.4 Ų | 135.4 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | trans | -38.3 | 108.9 | -176.3 | 176.7 | -178.5 | 179.2 | 180 | 0 | 108.4 | P112 V116 | P112-K114 PolarHBondContact O-N 2.87Å; K114-V116 WeakPolarHBondContact O-CG2 3.5Å; K114-V116 PolarHBondContact O-N 2.91Å | ||
| 115 | Y | 83.2 | Confident | 77.8 | Confident | 188 Ų | 188 | 130.8 Ų | 130.8 | 74% | 0.737 | 65% | 0.645 | S | S | * | * | trans | -56.2 | 115 | -171.8 | 173.1 | -102.6 | 0 | 0 | 0 | 109 | T113 F117 | T113-Y115 PolarHBondContact O-N 2.71Å; Y115-F117 HydrophobicContact CE1-CB 3.93Å; Y115-F117 HydrophobicContact CE1-CD2 4.19Å | ||
| 116 | V | 84 | Confident | 77.1 | Confident | 106 Ų | 106 | 126.9 Ų | 126.9 | 64% | 0.642 | 64% | 0.639 | S | S | * | * | trans | -98.1 | 108.9 | 173.4 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | K114 K118 | K114-V116 WeakPolarHBondContact O-CG2 3.5Å; K114-V116 PolarHBondContact O-N 2.91Å; V116-K118 PolarHBondContact O-N 2.97Å | ||
| 117 | F | 83.9 | Confident | 76.6 | Confident | 135 Ų | 135 | 123 Ų | 123 | 59% | 0.592 | 63% | 0.627 | S | S | * | * | trans | -59.6 | 108.9 | 172.7 | -179.1 | -106.7 | 0 | 0 | 0 | 109.1 | Y115 V119 | Y115-F117 HydrophobicContact CE1-CB 3.93Å; Y115-F117 HydrophobicContact CE1-CD2 4.19Å; F117-V119 HydrophobicContact CD1-CG2 3.76Å; F117-V119 HydrophobicContact CE1-CG2 3.55Å | ||
| 118 | K | 83 | Confident | 75.9 | Confident | 181 Ų | 181 | 121.5 Ų | 121.5 | 79% | 0.787 | 62% | 0.622 | S | S | * | * | trans | -88 | 111.1 | 173.4 | -66.8 | -177.3 | -177.2 | -178.9 | 0 | 108 | V116 | V116-K118 PolarHBondContact O-N 2.97Š| ||
| 119 | V | 84 | Confident | 75.3 | Confident | 68 Ų | 68 | 118.8 Ų | 118.8 | 41% | 0.412 | 61% | 0.606 | S | S | . | * | trans | -68.6 | 127.1 | 170.5 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | F117 M123 | F117-V119 HydrophobicContact CD1-CG2 3.76Å; F117-V119 HydrophobicContact CE1-CG2 3.55Å; V119-M123 HydrophobicContact CG1-CB 3.4Å; V119-M123 VanDerWaalsContact CG1-CB 3.4Å | ||
| 120 | P | 85.9 | Confident | 74.9 | Confident | 48 Ų | 48 | 118.4 Ų | 118.4 | 31% | 0.312 | 60% | 0.604 | S | S | . | * | trans | -55.1 | 143.6 | 173.3 | -26.2 | 34.6 | 0 | 0 | 0 | 111.7 | Y122 M123 | P120-Y122 HydrophobicContact CB-CD1 3.89Å; P120-Y122 HydrophobicContact CB-CE1 3.37Å; P120-Y122 HydrophobicContact CB-CE2 4.4Å; P120-Y122 HydrophobicContact CG-CE1 4.31Å; P120-Y122 PolarHBondContact O-N 3Å; P120-M123 HydrophobicContact CG-SD 4.17Å; P120-M123 WeakPolarHBondContact O-CB 3.39Å; P120-M123 PolarHBondContact O-N 3.32Å | ||
| 121 | F | 77.4 | Confident | 74.4 | Confident | 174 Ų | 174 | 117.8 Ų | 117.8 | 76% | 0.763 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -26.9 | -170.8 | 68.2 | -90.2 | 0 | 0 | 0 | 115 | S124 | F121-S124 VanDerWaalsContact O-O 3.1Å; F121-S124 PolarHBondContact O-OG 2.85Å |
| 122 | Y | 83.1 | Confident | 74 | Confident | 164 Ų | 164 | 115.9 Ų | 115.9 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -12.6 | -179.3 | 60.9 | -97 | 0 | 0 | 0 | 113.8 | P120 | P120-Y122 HydrophobicContact CB-CD1 3.89Å; P120-Y122 HydrophobicContact CB-CE1 3.37Å; P120-Y122 HydrophobicContact CB-CE2 4.4Å; P120-Y122 HydrophobicContact CG-CE1 4.31Å; P120-Y122 PolarHBondContact O-N 3Å |
| 123 | M | 84.5 | Confident | 73.7 | Confident | 123 Ų | 123 | 118.3 Ų | 118.3 | 61% | 0.606 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -9.4 | 176.5 | -68.5 | -175.3 | 70.1 | 0 | 0 | 112.5 | V119 P120 | V119-M123 HydrophobicContact CG1-CB 3.4Å; V119-M123 VanDerWaalsContact CG1-CB 3.4Å; P120-M123 HydrophobicContact CG-SD 4.17Å; P120-M123 WeakPolarHBondContact O-CB 3.39Å; P120-M123 PolarHBondContact O-N 3.32Å |
| 124 | S | 77.6 | Confident | 73 | Confident | 33 Ų | 33 | 115.7 Ų | 115.7 | 23% | 0.231 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -109.9 | 129.8 | 172.9 | 39.7 | 0 | 0 | 0 | 0 | 109.1 | F121 S126 | F121-S124 VanDerWaalsContact O-O 3.1Å; F121-S124 PolarHBondContact O-OG 2.85Å; S124-S126 PolarHBondContact O-N 3.26Å |
| 125 | D | 77.6 | Confident | 71.7 | Confident | 101 Ų | 101 | 114.2 Ų | 114.2 | 54% | 0.54 | 56% | 0.564 | S | S | . | * | trans | -62.6 | 125.4 | 173.3 | -176 | -9.1 | 0 | 0 | 0 | 109.4 | S127 V128 | D125-S127 PolarHBondContact O-N 3.43Å; D125-S127 PolarHBondContact OD1-N 2.98Å; D125-S127 PolarHBondContact OD1-OG 3.02Å; D125-S127 PolarHBondContact OD2-OG 2.96Å; D125-V128 HydrophobicContact CB-CG2 4.46Å; D125-V128 PolarHBondContact O-N 2.85Å | ||
| 126 | S | 70 | Confident | 70.1 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -52.5 | -21.4 | 175.3 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | S124 V128 | S124-S126 PolarHBondContact O-N 3.26Å; S126-V128 VanDerWaalsContact C-N 3.28Å; S126-V128 PolarHBondContact O-N 3.19Å |
| 127 | S | 72 | Confident | 68.6 | Low | 58 Ų | 58 | 111 Ų | 111 | 41% | 0.406 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.4 | -32.5 | 173.8 | 67.2 | 0 | 0 | 0 | 0 | 113 | D125 Q130 | D125-S127 PolarHBondContact O-N 3.43Å; D125-S127 PolarHBondContact OD1-N 2.98Å; D125-S127 PolarHBondContact OD1-OG 3.02Å; D125-S127 PolarHBondContact OD2-OG 2.96Å; S127-Q130 PolarHBondContact O-N 3.43Å |
| 128 | V | 64.5 | Low | 67.3 | Low | 72 Ų | 72 | 113 Ų | 113 | 44% | 0.436 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.6 | -38 | -176 | -175 | 0 | 0 | 0 | 0 | 111.8 | D125 S126 Q130 I131 | D125-V128 HydrophobicContact CB-CG2 4.46Å; D125-V128 PolarHBondContact O-N 2.85Å; S126-V128 VanDerWaalsContact C-N 3.28Å; S126-V128 PolarHBondContact O-N 3.19Å; V128-Q130 PolarHBondContact O-N 3.17Å; V128-I131 PolarHBondContact O-N 3.47Å |
| 129 | H | 56.5 | Low | 66.1 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 43% | 0.426 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.9 | -21.9 | -179.6 | -69.9 | -38.8 | 0 | 0 | 0 | 114 | I131 | H129-I131 VanDerWaalsContact C-N 3.34Å |
| 130 | Q | 58.4 | Low | 64.6 | Low | 148 Ų | 148 | 116.4 Ų | 116.4 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.8 | -29.2 | 175.8 | -60.7 | -158.2 | 38.3 | 0 | 0 | 112 | S127 V128 S134 | S127-Q130 PolarHBondContact O-N 3.43Å; V128-Q130 PolarHBondContact O-N 3.17Å; Q130-S134 PolarHBondContact O-OG 3.27Å |
| 131 | I | 56 | Low | 63.3 | Low | 93 Ų | 93 | 119.7 Ų | 119.7 | 48% | 0.477 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.5 | -35.4 | -178.6 | -57.8 | 169.4 | 0 | 0 | 0 | 111.1 | V128 H129 S134 | V128-I131 PolarHBondContact O-N 3.47Å; H129-I131 VanDerWaalsContact C-N 3.34Å; I131-S134 PolarHBondContact O-OG 3.42Å; I131-S134 VanDerWaalsContact O-OG 3.14Å |
| 132 | E | 56.7 | Low | 62.2 | Low | 129 Ų | 129 | 117.9 Ų | 117.9 | 60% | 0.603 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.6 | -36.6 | -180 | -66 | -172.3 | 163.1 | 0 | 0 | 112.3 | S134 | E132-S134 VanDerWaalsContact C-N 3.32Å; E132-S134 PolarHBondContact O-N 3.08Å |
| 133 | K | 55.7 | Low | 61.2 | Low | 166 Ų | 166 | 120.9 Ų | 120.9 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.9 | -30.7 | 179.8 | -73.3 | -179.5 | -179.7 | 178.7 | 0 | 113.4 | ||
| 134 | S | 56.4 | Low | 60.1 | Low | 72 Ų | 72 | 121.1 Ų | 121.1 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -80.8 | -27.5 | -178.2 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | Q130 I131 E132 T136 T137 | Q130-S134 PolarHBondContact O-OG 3.27Å; I131-S134 PolarHBondContact O-OG 3.42Å; I131-S134 VanDerWaalsContact O-OG 3.14Å; E132-S134 VanDerWaalsContact C-N 3.32Å; E132-S134 PolarHBondContact O-N 3.08Å; S134-T136 PolarHBondContact O-N 3.5Å; S134-T137 PolarHBondContact O-OG1 3.14Å; S134-T137 VanDerWaalsContact O-OG1 3.08Å |
| 135 | K | 55.5 | Low | 59.6 | Low | 159 Ų | 159 | 127.9 Ų | 127.9 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72 | -27.9 | -178.7 | -75.9 | -176.4 | 178.1 | -180 | 0 | 114.2 | T137 | K135-T137 VanDerWaalsContact C-N 3.28Å; K135-T137 PolarHBondContact O-N 3.4Å |
| 136 | T | 49.4 | Very low | 58.7 | Low | 125 Ų | 125 | 129.1 Ų | 129.1 | 77% | 0.767 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -14.5 | -178.8 | -48.7 | 0 | 0 | 0 | 0 | 113.1 | S134 | S134-T136 PolarHBondContact O-N 3.5Š|
| 137 | T | 52.6 | Low | 57.7 | Low | 101 Ų | 101 | 130.6 Ų | 130.6 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -2.5 | -177 | 46.6 | 0 | 0 | 0 | 0 | 115.5 | S134 K135 K139 | S134-T137 PolarHBondContact O-OG1 3.14Å; S134-T137 VanDerWaalsContact O-OG1 3.08Å; K135-T137 VanDerWaalsContact C-N 3.28Å; K135-T137 PolarHBondContact O-N 3.4Å; T137-K139 VanDerWaalsContact O-CG 3.25Å; T137-K139 WeakPolarHBondContact O-CG 3.25Å; T137-K139 PolarHBondContact O-N 2.9Å |
| 138 | E | 56.6 | Low | 57 | Low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -80.3 | 72.8 | 170.8 | -99.1 | -173.8 | 159.8 | 0 | 0 | 111.6 | V140 | E138-V140 PolarHBondContact O-N 2.92Š|
| 139 | K | 57.5 | Low | 56.7 | Low | 176 Ų | 176 | 142.6 Ų | 142.6 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | 26.5 | 95.8 | 131.7 | -58.4 | -111.9 | 177.7 | -176.6 | 0 | 115.5 | T137 V141 | T137-K139 VanDerWaalsContact O-CG 3.25Å; T137-K139 WeakPolarHBondContact O-CG 3.25Å; T137-K139 PolarHBondContact O-N 2.9Å; K139-V141 HydrophobicContact CB-CG2 4.19Å; K139-V141 PolarHBondContact O-N 3.46Å | ||
| 140 | V | 52.1 | Low | 56.7 | Low | 146 Ų | 146 | 145.3 Ų | 145.3 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -58.7 | 90.5 | 148.9 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | E138 D142 | E138-V140 PolarHBondContact O-N 2.92Å; V140-D142 PolarHBondContact O-N 3.31Å | ||
| 141 | V | 59.9 | Low | 56.6 | Low | 117 Ų | 117 | 145.1 Ų | 145.1 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | trans | -79.7 | 104.8 | 169.9 | 172.2 | 0 | 0 | 0 | 0 | 107.2 | K139 R143 | K139-V141 HydrophobicContact CB-CG2 4.19Å; K139-V141 PolarHBondContact O-N 3.46Å; V141-R143 PolarHBondContact O-N 3.24Å | ||
| 142 | D | 54.5 | Low | 56.6 | Low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -56.8 | 110.4 | 174.7 | -158.3 | 2.5 | 0 | 0 | 0 | 110 | V140 T144 | V140-D142 PolarHBondContact O-N 3.31Å; D142-T144 PolarHBondContact O-N 3.22Å | ||
| 143 | R | 60.6 | Low | 56.6 | Low | 228 Ų | 228 | 149.4 Ų | 149.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -87.2 | 88.4 | 174.5 | -71.2 | -170.5 | -178.1 | -164.4 | 1.5 | 108 | V141 Q145 | V141-R143 PolarHBondContact O-N 3.24Å; R143-Q145 PolarHBondContact O-N 3.26Å | ||
| 144 | T | 62.9 | Low | 56.7 | Low | 128 Ų | 128 | 148.3 Ų | 148.3 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 118.2 | 168.8 | -23.7 | 0 | 0 | 0 | 0 | 108.5 | D142 | D142-T144 PolarHBondContact O-N 3.22Š|
| 145 | Q | 65.7 | Low | 56.7 | Low | 174 Ų | 174 | 153.7 Ų | 153.7 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134 | 176.7 | -65.9 | -162.8 | -27.4 | 0 | 0 | 109.8 | R143 S147 | R143-Q145 PolarHBondContact O-N 3.26Å; Q145-S147 PolarHBondContact O-N 3.43Å |
| 146 | P | 59.9 | Low | 56.8 | Low | 127 Ų | 127 | 153.3 Ų | 153.3 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 125.7 | 177.5 | 29.1 | -30.3 | 0 | 0 | 0 | 109.6 | I148 | P146-I148 PolarHBondContact O-N 3.45Š|
| 147 | S | 48.4 | Very low | 57.4 | Low | 120 Ų | 120 | 155.7 Ų | 155.7 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -75 | 112.4 | 169.5 | -55.7 | 0 | 0 | 0 | 0 | 110 | Q145 | Q145-S147 PolarHBondContact O-N 3.43Š| ||
| 148 | I | 58.1 | Low | 57.8 | Low | 239 Ų | 239 | 160.6 Ų | 160.6 | 100% | 1.226 | 84% | 0.841 | S | S | * | * | trans | -144.2 | 0 | 150 | -54.6 | -178.9 | 0 | 0 | 0 | 107.4 | P146 | P146-I148 PolarHBondContact O-N 3.45Š|
Retrieved 148 of 148 residues in 21.1 ms
(Link to these results)