| 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 | 56.4 | Low | 71.7 | Confident | 225 Ų | 225 | 152.6 Ų | 152.6 | 100% | 1.108 | 79% | 0.793 | S | S | * | * | 0 | 94.9 | 0 | -82 | -138.8 | 174.7 | 0 | 0 | 105 | L3 | M1-L3 PolarHBondContact O-N 2.86Å; M1-L3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | D | 68.6 | Low | 71.9 | Confident | 158 Ų | 158 | 156.1 Ų | 156.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 102.9 | -177.8 | -55.8 | -34.5 | 0 | 0 | 0 | 106.1 | Y4 | D2-Y4 PolarHBondContact O-N 3.11Š| ||
| 3 | L | 67.7 | Low | 72.1 | Confident | 157 Ų | 157 | 158.7 Ų | 158.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -59.2 | 109.6 | 168.1 | -87.7 | 86.4 | 0 | 0 | 0 | 105.7 | M1 P5 | M1-L3 PolarHBondContact O-N 2.86Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-P5 WeakPolarHBondContact O-CD 3.46Å | ||
| 4 | Y | 72.1 | Confident | 71.9 | Confident | 215 Ų | 215 | 155.1 Ų | 155.1 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -52.3 | 115.3 | 166.5 | -105.8 | -101 | 0 | 0 | 0 | 107 | D2 C6 | D2-Y4 PolarHBondContact O-N 3.11Å; Y4-C6 PolarHBondContact O-N 2.84Å; Y4-C6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | P | 75.9 | Confident | 71.6 | Confident | 100 Ų | 100 | 151.5 Ų | 151.5 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 124 | 171.5 | -17 | 30.6 | 0 | 0 | 0 | 106.7 | L3 D7 | L3-P5 WeakPolarHBondContact O-CD 3.46Å; P5-D7 PolarHBondContact O-N 3.01Å | ||
| 6 | C | 74.2 | Confident | 71.3 | Confident | 121 Ų | 121 | 148.2 Ų | 148.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -67.6 | 92.6 | 166.5 | -64.3 | 0 | 0 | 0 | 0 | 106.8 | Y4 E8 | Y4-C6 PolarHBondContact O-N 2.84Å; Y4-C6 VanDerWaalsContact O-N 3.17Å; C6-E8 PolarHBondContact O-N 3.43Å | ||
| 7 | D | 73.6 | Confident | 70.8 | Confident | 160 Ų | 160 | 148.3 Ų | 148.3 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -73 | 64.1 | 165.2 | -82.2 | -30.4 | 0 | 0 | 0 | 108.6 | P5 | P5-D7 PolarHBondContact O-N 3.01Š| ||
| 8 | E | 77.9 | Confident | 70.4 | Confident | 149 Ų | 149 | 148.4 Ų | 148.4 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | -86 | 106.6 | 167 | -175.5 | 177 | -170.8 | 0 | 0 | 107.9 | C6 L10 | C6-E8 PolarHBondContact O-N 3.43Å; E8-L10 PolarHBondContact O-N 3.17Å; E8-L10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | D | 76.9 | Confident | 70 | Confident | 102 Ų | 102 | 146.7 Ų | 146.7 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | trans | -73.9 | 100.9 | 171.5 | -170.2 | 0.7 | 0 | 0 | 0 | 109.6 | N11 R12 | D9-N11 PolarHBondContact O-N 3.29Å; D9-N11 VanDerWaalsContact O-N 3.13Å; D9-N11 WeakPolarHBondContact OD1-CA 3.47Å; D9-N11 VanDerWaalsContact OD1-CB 3.32Å; D9-N11 WeakPolarHBondContact OD1-CB 3.33Å; D9-N11 PolarHBondContact OD1-N 3.07Å; D9-N11 PolarHBondContact OD1-ND2 2.82Å; D9-R12 VanDerWaalsContact O-CB 3.27Å; D9-R12 WeakPolarHBondContact O-CB 3.48Å; D9-R12 PolarHBondContact O-N 3.43Å | ||
| 10 | L | 71.8 | Confident | 69.7 | Low | 159 Ų | 159 | 146.5 Ų | 146.5 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -15.7 | 173.3 | -76.4 | 157.4 | 0 | 0 | 0 | 112.7 | E8 R12 | E8-L10 PolarHBondContact O-N 3.17Å; E8-L10 VanDerWaalsContact O-N 3.1Å; L10-R12 VanDerWaalsContact C-N 3.32Å |
| 11 | N | 73.8 | Confident | 69.4 | Low | 133 Ų | 133 | 145.4 Ų | 145.4 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 9.7 | 173.2 | -57.1 | -70.1 | 0 | 0 | 0 | 113 | D9 K13 | D9-N11 PolarHBondContact O-N 3.29Å; D9-N11 VanDerWaalsContact O-N 3.13Å; D9-N11 WeakPolarHBondContact OD1-CA 3.47Å; D9-N11 VanDerWaalsContact OD1-CB 3.32Å; D9-N11 WeakPolarHBondContact OD1-CB 3.33Å; D9-N11 PolarHBondContact OD1-N 3.07Å; D9-N11 PolarHBondContact OD1-ND2 2.82Å; N11-K13 PolarHBondContact O-N 3.45Å |
| 12 | R | 73.7 | Confident | 69.8 | Low | 194 Ų | 194 | 138 Ų | 138 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | -62.8 | 91.9 | 170.4 | -170.2 | -179.4 | 91.8 | -151.6 | 5.8 | 108.8 | D9 L10 S14 | D9-R12 VanDerWaalsContact O-CB 3.27Å; D9-R12 WeakPolarHBondContact O-CB 3.48Å; D9-R12 PolarHBondContact O-N 3.43Å; L10-R12 VanDerWaalsContact C-N 3.32Å; R12-S14 PolarHBondContact O-N 3.2Å | ||
| 13 | K | 74.1 | Confident | 69.4 | Low | 190 Ų | 190 | 134.6 Ų | 134.6 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -54 | 134.8 | 166.7 | -63.5 | -174.6 | -179 | -175.2 | 0 | 107 | N11 | N11-K13 PolarHBondContact O-N 3.45Š|
| 14 | S | 70 | Confident | 69.3 | Low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 136.2 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | R12 | R12-S14 PolarHBondContact O-N 3.2Š|
| 15 | P | 67.8 | Low | 69.1 | Low | 102 Ų | 102 | 125.1 Ų | 125.1 | 66% | 0.662 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 146.1 | 173.6 | -23.6 | 32.2 | 0 | 0 | 0 | 110.1 | L17 | P15-L17 PolarHBondContact O-N 2.84Š|
| 16 | D | 66.2 | Low | 68.7 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | trans | -59.6 | 111.4 | 171.6 | -163 | 7.3 | 0 | 0 | 0 | 107.4 | W18 K21 | D16-W18 PolarHBondContact O-N 3.45Å; D16-W18 VanDerWaalsContact O-N 3.14Å; D16-K21 IonicContact OD1-NZ 2.75Å; D16-K21 PolarHBondContact OD1-NZ 3.18Å; D16-K21 IonicContact OD2-NZ 2.88Å; D16-K21 PolarHBondContact OD2-NZ 3.03Å | ||
| 17 | L | 62.3 | Low | 68.6 | Low | 150 Ų | 150 | 121.5 Ų | 121.5 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -58.8 | -28.2 | -175.7 | -78.2 | 161.1 | 0 | 0 | 0 | 111 | P15 | P15-L17 PolarHBondContact O-N 2.84Š|
| 18 | W | 64.1 | Low | 68.5 | Low | 151 Ų | 151 | 115.5 Ų | 115.5 | 57% | 0.572 | 61% | 0.605 | S | S | * | * | trans | -138.3 | 91.8 | -178.4 | -52.4 | 95.2 | 0 | 0 | 0 | 108.4 | D16 E20 | D16-W18 PolarHBondContact O-N 3.45Å; D16-W18 VanDerWaalsContact O-N 3.14Å; W18-E20 PolarHBondContact O-N 3.15Å | ||
| 19 | P | 63.2 | Low | 68.2 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 75% | 0.747 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -60.4 | -30 | 175.9 | 24.1 | -32.4 | 0 | 0 | 0 | 111.1 | ||
| 20 | E | 63 | Low | 68 | Low | 143 Ų | 143 | 109.9 Ų | 109.9 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -80.9 | 119.4 | 170.6 | -167.5 | 176.8 | 177.1 | 0 | 0 | 110.3 | W18 L22 | W18-E20 PolarHBondContact O-N 3.15Å; E20-L22 PolarHBondContact O-N 2.85Å |
| 21 | K | 63.2 | Low | 68 | Low | 124 Ų | 124 | 109.2 Ų | 109.2 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | trans | -76.8 | 89.9 | 176.1 | -58.6 | -61.3 | 169 | -148.2 | 0 | 109.1 | D16 P23 | D16-K21 IonicContact OD1-NZ 2.75Å; D16-K21 PolarHBondContact OD1-NZ 3.18Å; D16-K21 IonicContact OD2-NZ 2.88Å; D16-K21 PolarHBondContact OD2-NZ 3.03Å; K21-P23 VanDerWaalsContact O-CD 3.26Å; K21-P23 WeakPolarHBondContact O-CD 3.23Å | ||
| 22 | L | 64.8 | Low | 67.8 | Low | 69 Ų | 69 | 109.9 Ų | 109.9 | 36% | 0.361 | 57% | 0.573 | S | S | . | * | trans | -69.6 | 112.8 | 167.8 | -66.5 | 174.2 | 0 | 0 | 0 | 108.1 | E20 T24 V25 C26 | E20-L22 PolarHBondContact O-N 2.85Å; L22-T24 PolarHBondContact O-N 2.87Å; L22-V25 HydrophobicContact CB-CB 4.08Å; L22-V25 HydrophobicContact CB-CG2 3.83Å; L22-V25 HydrophobicContact CD1-CG2 3.99Å; L22-V25 PolarHBondContact O-N 3.26Å; L22-C26 PolarHBondContact O-N 3.13Å | ||
| 23 | P | 61.8 | Low | 67.7 | Low | 86 Ų | 86 | 106.5 Ų | 106.5 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -51.8 | -37.6 | -171.1 | -26.6 | 33.6 | 0 | 0 | 0 | 113 | K21 | K21-P23 VanDerWaalsContact O-CD 3.26Å; K21-P23 WeakPolarHBondContact O-CD 3.23Å |
| 24 | T | 65.6 | Low | 67.5 | Low | 110 Ų | 110 | 104 Ų | 104 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.8 | -36 | -178.6 | -46.4 | 0 | 0 | 0 | 0 | 113.7 | L22 A28 | L22-T24 PolarHBondContact O-N 2.87Å; T24-A28 WeakPolarHBondContact O-CB 3.4Å; T24-A28 PolarHBondContact O-N 3.44Å; T24-A28 VanDerWaalsContact O-N 3.15Å |
| 25 | V | 66.7 | Low | 67.3 | Low | 64 Ų | 64 | 102.1 Ų | 102.1 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.4 | -41.8 | -173.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | L22 A29 | L22-V25 HydrophobicContact CB-CB 4.08Å; L22-V25 HydrophobicContact CB-CG2 3.83Å; L22-V25 HydrophobicContact CD1-CG2 3.99Å; L22-V25 PolarHBondContact O-N 3.26Å; V25-A29 WeakPolarHBondContact O-CB 3.24Å; V25-A29 PolarHBondContact O-N 3.48Å |
| 26 | C | 68 | Low | 67 | Low | 41 Ų | 41 | 102 Ų | 102 | 28% | 0.277 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 179 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | L22 A28 A29 D30 | L22-C26 PolarHBondContact O-N 3.13Å; C26-A28 VanDerWaalsContact C-N 3.32Å; C26-A28 PolarHBondContact O-N 3.4Å; C26-A29 PolarHBondContact O-N 2.86Å; C26-D30 PolarHBondContact O-N 3.42Å |
| 27 | D | 72.6 | Confident | 66.9 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.7 | -37.7 | 179.8 | -73.4 | -11.1 | 0 | 0 | 0 | 112.3 | K31 | D27-K31 WeakPolarHBondContact O-CB 3.01Å; D27-K31 WeakPolarHBondContact O-CG 2.9Å; D27-K31 PolarHBondContact O-N 3.07Å |
| 28 | A | 72 | Confident | 67 | Low | 35 Ų | 35 | 104.9 Ų | 104.9 | 29% | 0.289 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.4 | -50 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T24 C26 D30 K31 F32 | T24-A28 WeakPolarHBondContact O-CB 3.4Å; T24-A28 PolarHBondContact O-N 3.44Å; T24-A28 VanDerWaalsContact O-N 3.15Å; C26-A28 VanDerWaalsContact C-N 3.32Å; C26-A28 PolarHBondContact O-N 3.4Å; A28-D30 VanDerWaalsContact C-N 3.33Å; A28-D30 PolarHBondContact O-N 2.91Å; A28-K31 PolarHBondContact O-N 3.18Å; A28-K31 VanDerWaalsContact O-N 3.16Å; A28-F32 HydrophobicContact CB-CD2 4.34Å; A28-F32 HydrophobicContact CB-CE2 4.35Å; A28-F32 WeakPolarHBondContact O-CD2 3.41Å; A28-F32 PolarHBondContact O-N 2.91Å |
| 29 | A | 71.3 | Confident | 66.8 | Low | 46 Ų | 46 | 103.6 Ų | 103.6 | 38% | 0.38 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -56.8 | -46 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V25 C26 K31 F32 L33 | V25-A29 WeakPolarHBondContact O-CB 3.24Å; V25-A29 PolarHBondContact O-N 3.48Å; C26-A29 PolarHBondContact O-N 2.86Å; A29-K31 PolarHBondContact O-N 2.94Å; A29-F32 PolarHBondContact O-N 3.2Å; A29-L33 WeakPolarHBondContact O-CB 3.18Å; A29-L33 VanDerWaalsContact O-CG 3.25Å; A29-L33 WeakPolarHBondContact O-CG 2.88Å; A29-L33 PolarHBondContact O-N 3.46Å |
| 30 | D | 72 | Confident | 66.6 | Low | 87 Ų | 87 | 103.3 Ų | 103.3 | 47% | 0.465 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.4 | -79.6 | -12.5 | 0 | 0 | 0 | 112.5 | C26 A28 K34 | C26-D30 PolarHBondContact O-N 3.42Å; A28-D30 VanDerWaalsContact C-N 3.33Å; A28-D30 PolarHBondContact O-N 2.91Å; D30-K34 WeakPolarHBondContact O-CB 3.43Å; D30-K34 WeakPolarHBondContact O-CG 3.39Å; D30-K34 PolarHBondContact O-N 2.92Å |
| 31 | K | 72 | Confident | 66.5 | Low | 145 Ų | 145 | 100.5 Ų | 100.5 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 174.5 | -80.4 | 172 | -178.3 | -78.7 | 0 | 111.7 | D27 A28 A29 K34 T35 | D27-K31 WeakPolarHBondContact O-CB 3.01Å; D27-K31 WeakPolarHBondContact O-CG 2.9Å; D27-K31 PolarHBondContact O-N 3.07Å; A28-K31 PolarHBondContact O-N 3.18Å; A28-K31 VanDerWaalsContact O-N 3.16Å; A29-K31 PolarHBondContact O-N 2.94Å; K31-K34 PolarHBondContact O-N 3.37Å; K31-T35 WeakPolarHBondContact O-CB 3.48Å; K31-T35 PolarHBondContact O-N 3.19Å; K31-T35 PolarHBondContact O-OG1 3.37Å |
| 32 | F | 70.3 | Confident | 66.5 | Low | 146 Ų | 146 | 103 Ų | 103 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.8 | -49.3 | 177.6 | -83.3 | -70.5 | 0 | 0 | 0 | 110.9 | A28 A29 K34 T35 V36 | A28-F32 HydrophobicContact CB-CD2 4.34Å; A28-F32 HydrophobicContact CB-CE2 4.35Å; A28-F32 WeakPolarHBondContact O-CD2 3.41Å; A28-F32 PolarHBondContact O-N 2.91Å; A29-F32 PolarHBondContact O-N 3.2Å; F32-K34 VanDerWaalsContact C-N 3.3Å; F32-K34 PolarHBondContact O-N 3.2Å; F32-T35 PolarHBondContact O-N 2.84Å; F32-V36 VanDerWaalsContact O-CG2 3.25Å; F32-V36 WeakPolarHBondContact O-CG2 3.44Å; F32-V36 PolarHBondContact O-N 3.09Å |
| 33 | L | 71 | Confident | 66.6 | Low | 124 Ų | 124 | 107 Ų | 107 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.7 | -38.2 | 179.2 | -69.4 | 174.9 | 0 | 0 | 0 | 112.5 | A29 N37 | A29-L33 WeakPolarHBondContact O-CB 3.18Å; A29-L33 VanDerWaalsContact O-CG 3.25Å; A29-L33 WeakPolarHBondContact O-CG 2.88Å; A29-L33 PolarHBondContact O-N 3.46Å; L33-N37 PolarHBondContact O-N 3.21Å |
| 34 | K | 70.4 | Confident | 67 | Low | 136 Ų | 136 | 108.1 Ų | 108.1 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68 | -45.5 | 175.2 | -72.6 | 172.4 | -174.1 | 179.5 | 0 | 112.2 | D30 K31 F32 V36 N37 E38 | D30-K34 WeakPolarHBondContact O-CB 3.43Å; D30-K34 WeakPolarHBondContact O-CG 3.39Å; D30-K34 PolarHBondContact O-N 2.92Å; K31-K34 PolarHBondContact O-N 3.37Å; F32-K34 VanDerWaalsContact C-N 3.3Å; F32-K34 PolarHBondContact O-N 3.2Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-V36 PolarHBondContact O-N 2.92Å; K34-N37 PolarHBondContact O-N 3Å; K34-E38 PolarHBondContact O-N 3.41Å |
| 35 | T | 64.4 | Low | 67.5 | Low | 69 Ų | 69 | 109.7 Ų | 109.7 | 42% | 0.423 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.3 | -41.2 | -178.5 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | K31 F32 N37 E38 Q39 | K31-T35 WeakPolarHBondContact O-CB 3.48Å; K31-T35 PolarHBondContact O-N 3.19Å; K31-T35 PolarHBondContact O-OG1 3.37Å; F32-T35 PolarHBondContact O-N 2.84Å; T35-N37 VanDerWaalsContact C-N 3.25Å; T35-N37 PolarHBondContact O-N 3.03Å; T35-E38 PolarHBondContact O-N 3.07Å; T35-Q39 HydrophobicContact CG2-CG 4.34Å; T35-Q39 PolarHBondContact O-N 3.33Å |
| 36 | V | 62.3 | Low | 68.3 | Low | 100 Ų | 100 | 114.2 Ų | 114.2 | 61% | 0.606 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.8 | -32 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 112 | F32 K34 | F32-V36 VanDerWaalsContact O-CG2 3.25Å; F32-V36 WeakPolarHBondContact O-CG2 3.44Å; F32-V36 PolarHBondContact O-N 3.09Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-V36 PolarHBondContact O-N 2.92Å |
| 37 | N | 63.5 | Low | 69.2 | Low | 145 Ų | 145 | 116 Ų | 116 | 78% | 0.775 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.7 | -25.6 | 179.1 | -166.8 | 39.5 | 0 | 0 | 0 | 113.2 | L33 K34 T35 | L33-N37 PolarHBondContact O-N 3.21Å; K34-N37 PolarHBondContact O-N 3Å; T35-N37 VanDerWaalsContact C-N 3.25Å; T35-N37 PolarHBondContact O-N 3.03Å |
| 38 | E | 65.1 | Low | 70.2 | Confident | 164 Ų | 164 | 116.2 Ų | 116.2 | 77% | 0.766 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -95.5 | -30.9 | -175.3 | -68.6 | -179.9 | -176.8 | 0 | 0 | 113.3 | K34 T35 | K34-E38 PolarHBondContact O-N 3.41Å; T35-E38 PolarHBondContact O-N 3.07Å |
| 39 | Q | 59.9 | Low | 71.2 | Confident | 123 Ų | 123 | 120 Ų | 120 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -92.9 | 126.6 | 180 | -60.7 | -155.9 | -53.3 | 0 | 0 | 110.4 | T35 V41 | T35-Q39 HydrophobicContact CG2-CG 4.34Å; T35-Q39 PolarHBondContact O-N 3.33Å; Q39-V41 HydrophobicContact CB-CG2 3.74Å; Q39-V41 WeakPolarHBondContact O-CG2 3.49Å; Q39-V41 PolarHBondContact O-N 3.34Å |
| 40 | N | 59.3 | Low | 72.3 | Confident | 109 Ų | 109 | 124.7 Ų | 124.7 | 58% | 0.583 | 63% | 0.628 | S | S | * | * | trans | -74 | 80.8 | 167.2 | -153 | -25.4 | 0 | 0 | 0 | 107.6 | Y42 | N40-Y42 HydrophobicContact CB-CD1 4.32Å; N40-Y42 HydrophobicContact CB-CE1 3.74Å; N40-Y42 HydrophobicContact CB-CE2 3.92Å; N40-Y42 VanDerWaalsContact CB-CZ 3.42Å; N40-Y42 WeakPolarHBondContact CB-OH 3.33Å; N40-Y42 VanDerWaalsContact CG-CD1 3.42Å; N40-Y42 WeakPolarHBondContact ND2-CE1 3.48Å; N40-Y42 PolarHBondContact ND2-OH 2.91Å; N40-Y42 WeakPolarHBondContact O-CD2 3.48Å; N40-Y42 VanDerWaalsContact O-CE2 3.24Å; N40-Y42 WeakPolarHBondContact O-CE2 3.4Å; N40-Y42 PolarHBondContact O-N 3Å; N40-Y42 WeakPolarHBondContact OD1-CD1 3.31Å; N40-Y42 WeakPolarHBondContact OD1-CE1 3.45Å | ||
| 41 | V | 61 | Low | 73.4 | Confident | 85 Ų | 85 | 123.7 Ų | 123.7 | 52% | 0.515 | 62% | 0.623 | S | S | . | * | trans | -76.7 | 57.7 | -177 | -165.1 | 0 | 0 | 0 | 0 | 109.2 | Q39 E43 | Q39-V41 HydrophobicContact CB-CG2 3.74Å; Q39-V41 WeakPolarHBondContact O-CG2 3.49Å; Q39-V41 PolarHBondContact O-N 3.34Å; V41-E43 HydrophobicContact CG1-CB 4.33Å; V41-E43 PolarHBondContact O-N 3.27Å | ||
| 42 | Y | 61.5 | Low | 74.5 | Confident | 177 Ų | 177 | 120.8 Ų | 120.8 | 69% | 0.694 | 61% | 0.613 | S | S | * | * | trans | -86.8 | 31.1 | 156.6 | 41.4 | -136.4 | 0 | 0 | 0 | 110.5 | N40 S44 | N40-Y42 HydrophobicContact CB-CD1 4.32Å; N40-Y42 HydrophobicContact CB-CE1 3.74Å; N40-Y42 HydrophobicContact CB-CE2 3.92Å; N40-Y42 VanDerWaalsContact CB-CZ 3.42Å; N40-Y42 WeakPolarHBondContact CB-OH 3.33Å; N40-Y42 VanDerWaalsContact CG-CD1 3.42Å; N40-Y42 WeakPolarHBondContact ND2-CE1 3.48Å; N40-Y42 PolarHBondContact ND2-OH 2.91Å; N40-Y42 WeakPolarHBondContact O-CD2 3.48Å; N40-Y42 VanDerWaalsContact O-CE2 3.24Å; N40-Y42 WeakPolarHBondContact O-CE2 3.4Å; N40-Y42 PolarHBondContact O-N 3Å; N40-Y42 WeakPolarHBondContact OD1-CD1 3.31Å; N40-Y42 WeakPolarHBondContact OD1-CE1 3.45Å; Y42-S44 PolarHBondContact O-N 3.33Å | ||
| 43 | E | 67.1 | Low | 75.7 | Confident | 152 Ų | 152 | 116.7 Ų | 116.7 | 71% | 0.71 | 60% | 0.603 | S | S | * | * | trans | -51.3 | 121.8 | 161.1 | -77.2 | -172.3 | 170.2 | 0 | 0 | 106.5 | V41 I45 | V41-E43 HydrophobicContact CG1-CB 4.33Å; V41-E43 PolarHBondContact O-N 3.27Å; E43-I45 PolarHBondContact O-N 3.22Å | ||
| 44 | S | 70.1 | Confident | 76.8 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -51.8 | 106.4 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | Y42 H46 | Y42-S44 PolarHBondContact O-N 3.33Å; S44-H46 VanDerWaalsContact C-N 3.35Å; S44-H46 PolarHBondContact O-N 3.22Å | ||
| 45 | I | 76.5 | Confident | 78 | Confident | 142 Ų | 142 | 115.2 Ų | 115.2 | 73% | 0.728 | 60% | 0.595 | S | S | * | * | trans | -61.6 | 103.8 | 179.4 | -56.2 | 174.4 | 0 | 0 | 0 | 105.6 | E43 L47 | E43-I45 PolarHBondContact O-N 3.22Å; I45-L47 VanDerWaalsContact C-N 3.35Å; I45-L47 HydrophobicContact CG2-CD2 4.49Å; I45-L47 HydrophobicContact CG2-CG 4.09Å; I45-L47 PolarHBondContact O-N 2.95Å | ||
| 46 | H | 84.6 | Confident | 79.4 | Confident | 160 Ų | 160 | 116.4 Ų | 116.4 | 74% | 0.741 | 60% | 0.598 | S | S | * | * | trans | -76.9 | 92.5 | 179.5 | -177.8 | -84.7 | 0 | 0 | 0 | 107.5 | S44 | S44-H46 VanDerWaalsContact C-N 3.35Å; S44-H46 PolarHBondContact O-N 3.22Å | ||
| 47 | L | 87 | Confident | 80.9 | Confident | 79 Ų | 79 | 116.8 Ų | 116.8 | 41% | 0.414 | 59% | 0.593 | S | S | . | * | trans | -80.8 | 125.1 | 176.9 | -74.2 | 150.6 | 0 | 0 | 0 | 109.4 | I45 D51 I52 M55 | I45-L47 VanDerWaalsContact C-N 3.35Å; I45-L47 HydrophobicContact CG2-CD2 4.49Å; I45-L47 HydrophobicContact CG2-CG 4.09Å; I45-L47 PolarHBondContact O-N 2.95Å; L47-D51 HydrophobicContact CB-CB 4.5Å; L47-D51 HydrophobicContact CD2-CB 3.75Å; L47-I52 HydrophobicContact CB-CD1 4.43Å; L47-I52 HydrophobicContact CB-CG1 4.1Å; L47-M55 HydrophobicContact CD2-SD 4.13Å | ||
| 48 | E | 93.1 | Very high | 82.3 | Confident | 106 Ų | 106 | 113.9 Ų | 113.9 | 50% | 0.495 | 58% | 0.577 | S | S | . | * | trans | -71.3 | 154.7 | 170.7 | -64.1 | -168.9 | 167.4 | 0 | 0 | 109.9 | E50 D51 I52 | E48-E50 PolarHBondContact O-N 3.44Å; E48-E50 VanDerWaalsContact O-N 3.15Å; E48-D51 WeakPolarHBondContact CB-OD2 3.44Å; E48-D51 PolarHBondContact N-OD2 2.98Å; E48-D51 WeakPolarHBondContact O-CB 3.39Å; E48-D51 PolarHBondContact O-N 3.44Å; E48-I52 PolarHBondContact O-N 3.2Å | ||
| 49 | P | 93.1 | Very high | 83.6 | Confident | 114 Ų | 114 | 109.3 Ų | 109.3 | 74% | 0.74 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.3 | -27.8 | 176.3 | 23 | -33.8 | 0 | 0 | 0 | 112.7 | S53 | P49-S53 PolarHBondContact O-N 3.1Å |
| 50 | E | 94.8 | Very high | 85.3 | Confident | 146 Ų | 146 | 111.1 Ų | 111.1 | 68% | 0.682 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.3 | -44.5 | 173.3 | -174.4 | 168.7 | -173.8 | 0 | 0 | 111.7 | E48 I52 S53 F54 | E48-E50 PolarHBondContact O-N 3.44Å; E48-E50 VanDerWaalsContact O-N 3.15Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 3.13Å; E50-S53 WeakPolarHBondContact O-CB 3.46Å; E50-S53 PolarHBondContact O-N 2.94Å; E50-S53 VanDerWaalsContact O-N 3.13Å; E50-F54 WeakPolarHBondContact O-CB 3.45Å; E50-F54 PolarHBondContact O-N 3Å |
| 51 | D | 94.5 | Very high | 87 | Confident | 66 Ų | 66 | 108.7 Ų | 108.7 | 35% | 0.353 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.7 | -44.3 | 176.8 | -58.2 | -42.5 | 0 | 0 | 0 | 111.2 | L47 E48 S53 F54 M55 | L47-D51 HydrophobicContact CB-CB 4.5Å; L47-D51 HydrophobicContact CD2-CB 3.75Å; E48-D51 WeakPolarHBondContact CB-OD2 3.44Å; E48-D51 PolarHBondContact N-OD2 2.98Å; E48-D51 WeakPolarHBondContact O-CB 3.39Å; E48-D51 PolarHBondContact O-N 3.44Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 2.86Å; D51-F54 PolarHBondContact O-N 2.85Å; D51-M55 WeakPolarHBondContact O-CB 3.42Å; D51-M55 VanDerWaalsContact O-CG 3.31Å; D51-M55 WeakPolarHBondContact O-CG 3.25Å; D51-M55 PolarHBondContact O-N 3.26Å |
| 52 | I | 94.9 | Very high | 88.7 | Confident | 84 Ų | 84 | 107.9 Ų | 107.9 | 43% | 0.431 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -40.1 | 177.9 | -60.3 | 171.5 | 0 | 0 | 0 | 110.4 | L47 E48 E50 N56 | L47-I52 HydrophobicContact CB-CD1 4.43Å; L47-I52 HydrophobicContact CB-CG1 4.1Å; E48-I52 PolarHBondContact O-N 3.2Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 3.13Å; I52-N56 WeakPolarHBondContact O-CB 3.34Å; I52-N56 PolarHBondContact O-N 2.91Å; I52-N56 VanDerWaalsContact O-N 3.11Å; I52-N56 PolarHBondContact O-ND2 2.94Å |
| 53 | S | 95.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 104.3 Ų | 104.3 | 41% | 0.413 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.1 | -47.9 | 174.8 | -169.3 | 0 | 0 | 0 | 0 | 111 | P49 E50 D51 M55 N56 E57 | P49-S53 PolarHBondContact O-N 3.1Å; E50-S53 WeakPolarHBondContact O-CB 3.46Å; E50-S53 PolarHBondContact O-N 2.94Å; E50-S53 VanDerWaalsContact O-N 3.13Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 2.86Å; S53-M55 PolarHBondContact O-N 2.9Å; S53-N56 WeakPolarHBondContact O-CB 3.48Å; S53-N56 PolarHBondContact O-N 3.17Å; S53-E57 WeakPolarHBondContact O-CG 3.17Å; S53-E57 PolarHBondContact O-N 3.44Å |
| 54 | F | 94.7 | Very high | 91.7 | Very high | 115 Ų | 115 | 103 Ų | 103 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | -179.1 | -175.6 | -112.9 | 0 | 0 | 0 | 112.5 | E50 D51 N56 E57 L58 | E50-F54 WeakPolarHBondContact O-CB 3.45Å; E50-F54 PolarHBondContact O-N 3Å; D51-F54 PolarHBondContact O-N 2.85Å; F54-N56 VanDerWaalsContact C-N 3.32Å; F54-N56 PolarHBondContact O-N 3.19Å; F54-E57 WeakPolarHBondContact O-CB 3.32Å; F54-E57 PolarHBondContact O-N 3.33Å; F54-L58 PolarHBondContact O-N 3.42Å |
| 55 | M | 94.1 | Very high | 92.9 | Very high | 115 Ų | 115 | 102.3 Ų | 102.3 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 173.4 | -73.8 | 179.3 | 67.9 | 0 | 0 | 111.9 | L47 D51 S53 E57 L58 G59 | L47-M55 HydrophobicContact CD2-SD 4.13Å; D51-M55 WeakPolarHBondContact O-CB 3.42Å; D51-M55 VanDerWaalsContact O-CG 3.31Å; D51-M55 WeakPolarHBondContact O-CG 3.25Å; D51-M55 PolarHBondContact O-N 3.26Å; S53-M55 PolarHBondContact O-N 2.9Å; M55-E57 VanDerWaalsContact C-N 3.33Å; M55-L58 PolarHBondContact O-N 2.88Å; M55-G59 PolarHBondContact O-N 3.4Å |
| 56 | N | 94.9 | Very high | 93.9 | Very high | 93 Ų | 93 | 97.9 Ų | 97.9 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -33.4 | 177.1 | -76.7 | -48.2 | 0 | 0 | 0 | 112.4 | I52 S53 F54 K60 | I52-N56 WeakPolarHBondContact O-CB 3.34Å; I52-N56 PolarHBondContact O-N 2.91Å; I52-N56 VanDerWaalsContact O-N 3.11Å; I52-N56 PolarHBondContact O-ND2 2.94Å; S53-N56 WeakPolarHBondContact O-CB 3.48Å; S53-N56 PolarHBondContact O-N 3.17Å; F54-N56 VanDerWaalsContact C-N 3.32Å; F54-N56 PolarHBondContact O-N 3.19Å; N56-K60 WeakPolarHBondContact O-CD 3.49Å; N56-K60 WeakPolarHBondContact O-CE 3.49Å; N56-K60 VanDerWaalsContact O-CG 3.23Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.43Å |
| 57 | E | 94.3 | Very high | 94.5 | Very high | 109 Ų | 109 | 95.1 Ų | 95.1 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 172.7 | -73.6 | 176 | -165.7 | 0 | 0 | 111.3 | S53 F54 M55 G59 K60 | S53-E57 WeakPolarHBondContact O-CG 3.17Å; S53-E57 PolarHBondContact O-N 3.44Å; F54-E57 WeakPolarHBondContact O-CB 3.32Å; F54-E57 PolarHBondContact O-N 3.33Å; M55-E57 VanDerWaalsContact C-N 3.33Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.01Å; E57-K60 PolarHBondContact O-N 2.91Å |
| 58 | L | 91.6 | Very high | 95 | Very high | 84 Ų | 84 | 95.8 Ų | 95.8 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 177.5 | -176.4 | 57.1 | 0 | 0 | 0 | 112 | F54 M55 K60 L61 | F54-L58 PolarHBondContact O-N 3.42Å; M55-L58 PolarHBondContact O-N 2.88Å; L58-K60 PolarHBondContact O-N 2.71Å; L58-L61 HydrophobicContact CD1-CD1 3.71Å; L58-L61 HydrophobicContact CD1-CG 4.5Å; L58-L61 WeakPolarHBondContact O-CB 3.45Å; L58-L61 WeakPolarHBondContact O-CG 3.31Å; L58-L61 PolarHBondContact O-N 2.87Å |
| 59 | G | 93.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 93.7 Ų | 93.7 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.3 | -16.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M55 E57 | M55-G59 PolarHBondContact O-N 3.4Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.01Å |
| 60 | K | 95.5 | Very high | 95.2 | Very high | 161 Ų | 161 | 92 Ų | 92 | 70% | 0.7 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -10.8 | 175.7 | -70.1 | 164.9 | -170.6 | 173.4 | 0 | 113 | N56 E57 L58 | N56-K60 WeakPolarHBondContact O-CD 3.49Å; N56-K60 WeakPolarHBondContact O-CE 3.49Å; N56-K60 VanDerWaalsContact O-CG 3.23Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.43Å; E57-K60 PolarHBondContact O-N 2.91Å; L58-K60 PolarHBondContact O-N 2.71Å |
| 61 | L | 95.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 90.3 Ų | 90.3 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | trans | -69.8 | 141.6 | -177.7 | -61.7 | -172.5 | 0 | 0 | 0 | 111.1 | L58 Q65 V66 Q69 | L58-L61 HydrophobicContact CD1-CD1 3.71Å; L58-L61 HydrophobicContact CD1-CG 4.5Å; L58-L61 WeakPolarHBondContact O-CB 3.45Å; L58-L61 WeakPolarHBondContact O-CG 3.31Å; L58-L61 PolarHBondContact O-N 2.87Å; L61-Q65 HydrophobicContact CB-CB 4Å; L61-Q65 HydrophobicContact CD2-CB 4.23Å; L61-Q65 HydrophobicContact CG-CB 4.49Å; L61-V66 HydrophobicContact CB-CG2 3.73Å; L61-V66 HydrophobicContact CD1-CG2 4.43Å; L61-Q69 HydrophobicContact CD1-CG 4.42Å | ||
| 62 | T | 96.1 | Very high | 95.5 | Very high | 68 Ų | 68 | 93.7 Ų | 93.7 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | trans | -72.5 | 160.1 | 168.7 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | D64 Q65 V66 | T62-D64 PolarHBondContact O-N 3.34Å; T62-Q65 WeakPolarHBondContact O-CB 3.37Å; T62-Q65 PolarHBondContact O-N 3.28Å; T62-Q65 WeakPolarHBondContact OG1-CG 3.07Å; T62-Q65 PolarHBondContact OG1-N 3.45Å; T62-V66 WeakPolarHBondContact O-CG2 3.4Å; T62-V66 PolarHBondContact O-N 2.84Å | ||
| 63 | P | 95.4 | Very high | 95.6 | Very high | 103 Ų | 103 | 95.4 Ų | 95.4 | 67% | 0.669 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -53 | -39.8 | 178.4 | -28.1 | 35.9 | 0 | 0 | 0 | 113.7 | V66 M67 | P63-V66 PolarHBondContact O-N 2.74Å; P63-M67 WeakPolarHBondContact O-CG 3.43Å; P63-M67 PolarHBondContact O-N 3.47Å |
| 64 | D | 96 | Very high | 95.7 | Very high | 125 Ų | 125 | 98.5 Ų | 98.5 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 177.1 | -62.2 | -26.2 | 0 | 0 | 0 | 111.8 | T62 M67 D68 | T62-D64 PolarHBondContact O-N 3.34Å; D64-M67 WeakPolarHBondContact O-CB 3.25Å; D64-M67 PolarHBondContact O-N 3.01Å; D64-D68 PolarHBondContact O-N 3.22Å |
| 65 | Q | 96.3 | Very high | 95.9 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 176.3 | -71.5 | 173.9 | -22.9 | 0 | 0 | 112.3 | L61 T62 M67 D68 Q69 | L61-Q65 HydrophobicContact CB-CB 4Å; L61-Q65 HydrophobicContact CD2-CB 4.23Å; L61-Q65 HydrophobicContact CG-CB 4.49Å; T62-Q65 WeakPolarHBondContact O-CB 3.37Å; T62-Q65 PolarHBondContact O-N 3.28Å; T62-Q65 WeakPolarHBondContact OG1-CG 3.07Å; T62-Q65 PolarHBondContact OG1-N 3.45Å; Q65-M67 VanDerWaalsContact C-N 3.33Å; Q65-D68 PolarHBondContact O-N 3.47Å; Q65-Q69 PolarHBondContact O-N 3.35Å |
| 66 | V | 96.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 96.1 Ų | 96.1 | 30% | 0.297 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 173.2 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | L61 T62 P63 D68 Q69 I70 | L61-V66 HydrophobicContact CB-CG2 3.73Å; L61-V66 HydrophobicContact CD1-CG2 4.43Å; T62-V66 WeakPolarHBondContact O-CG2 3.4Å; T62-V66 PolarHBondContact O-N 2.84Å; P63-V66 PolarHBondContact O-N 2.74Å; V66-D68 VanDerWaalsContact C-N 3.32Å; V66-D68 PolarHBondContact O-N 2.89Å; V66-Q69 PolarHBondContact O-N 3.34Å; V66-I70 HydrophobicContact CG1-CD1 3.96Å; V66-I70 WeakPolarHBondContact O-CG1 3.21Å; V66-I70 PolarHBondContact O-N 3.1Å |
| 67 | M | 96.5 | Very high | 96.2 | Very high | 102 Ų | 102 | 94.6 Ų | 94.6 | 50% | 0.502 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.6 | -73.5 | -59.7 | -61.5 | 0 | 0 | 112.3 | P63 D64 Q65 I70 K71 | P63-M67 WeakPolarHBondContact O-CG 3.43Å; P63-M67 PolarHBondContact O-N 3.47Å; D64-M67 WeakPolarHBondContact O-CB 3.25Å; D64-M67 PolarHBondContact O-N 3.01Å; Q65-M67 VanDerWaalsContact C-N 3.33Å; M67-I70 PolarHBondContact O-N 2.86Å; M67-I70 HydrophobicContact SD-CD1 4.42Å; M67-K71 WeakPolarHBondContact O-CG 3.49Å; M67-K71 PolarHBondContact O-N 2.86Å |
| 68 | D | 97.1 | Very high | 96.3 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 176.8 | -74.8 | -13.9 | 0 | 0 | 0 | 112.6 | D64 Q65 V66 K71 K72 | D64-D68 PolarHBondContact O-N 3.22Å; Q65-D68 PolarHBondContact O-N 3.47Å; V66-D68 VanDerWaalsContact C-N 3.32Å; V66-D68 PolarHBondContact O-N 2.89Å; D68-K71 PolarHBondContact O-N 2.93Å; D68-K71 IonicContact OD1-NZ 3.48Å; D68-K71 PolarHBondContact OD1-NZ 3.44Å; D68-K72 WeakPolarHBondContact O-CB 3.44Å; D68-K72 PolarHBondContact O-N 2.92Å |
| 69 | Q | 95.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 95.6 Ų | 95.6 | 29% | 0.29 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 171.7 | -121.5 | -56.8 | 39.5 | 0 | 0 | 111.6 | L61 Q65 V66 K71 K72 M73 | L61-Q69 HydrophobicContact CD1-CG 4.42Å; Q65-Q69 PolarHBondContact O-N 3.35Å; V66-Q69 PolarHBondContact O-N 3.34Å; Q69-K71 VanDerWaalsContact C-N 3.34Å; Q69-K71 PolarHBondContact O-N 3.28Å; Q69-K72 PolarHBondContact O-N 3.16Å; Q69-M73 WeakPolarHBondContact O-CB 3.33Å; Q69-M73 PolarHBondContact O-N 3.15Å |
| 70 | I | 96.2 | Very high | 96.9 | Very high | 79 Ų | 79 | 97.4 Ų | 97.4 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.4 | -68.7 | 165.9 | 0 | 0 | 0 | 110.5 | V66 M67 K72 M73 Q74 | V66-I70 HydrophobicContact CG1-CD1 3.96Å; V66-I70 WeakPolarHBondContact O-CG1 3.21Å; V66-I70 PolarHBondContact O-N 3.1Å; M67-I70 PolarHBondContact O-N 2.86Å; M67-I70 HydrophobicContact SD-CD1 4.42Å; I70-K72 VanDerWaalsContact C-N 3.33Å; I70-K72 PolarHBondContact O-N 3.37Å; I70-M73 WeakPolarHBondContact O-CB 3.32Å; I70-M73 PolarHBondContact O-N 3.42Å; I70-Q74 HydrophobicContact CG2-CG 4.47Å; I70-Q74 VanDerWaalsContact O-CG 3.31Å; I70-Q74 WeakPolarHBondContact O-CG 3.5Å; I70-Q74 PolarHBondContact O-N 3.34Å |
| 71 | K | 97.5 | Very high | 96.9 | Very high | 111 Ų | 111 | 91.3 Ų | 91.3 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.5 | -68.8 | 172.1 | -162.2 | 155.6 | 0 | 111.9 | M67 D68 Q69 Q74 Q75 | M67-K71 WeakPolarHBondContact O-CG 3.49Å; M67-K71 PolarHBondContact O-N 2.86Å; D68-K71 PolarHBondContact O-N 2.93Å; D68-K71 IonicContact OD1-NZ 3.48Å; D68-K71 PolarHBondContact OD1-NZ 3.44Å; Q69-K71 VanDerWaalsContact C-N 3.34Å; Q69-K71 PolarHBondContact O-N 3.28Å; K71-Q74 PolarHBondContact O-N 3.25Å; K71-Q75 WeakPolarHBondContact O-CB 3.32Å; K71-Q75 PolarHBondContact O-N 2.96Å |
| 72 | K | 97.3 | Very high | 97 | Very high | 137 Ų | 137 | 94.7 Ų | 94.7 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.6 | -44.9 | 176.9 | -179 | -177.3 | 175.8 | -174.5 | 0 | 111.2 | D68 Q69 I70 Q75 T76 | D68-K72 WeakPolarHBondContact O-CB 3.44Å; D68-K72 PolarHBondContact O-N 2.92Å; Q69-K72 PolarHBondContact O-N 3.16Å; I70-K72 VanDerWaalsContact C-N 3.33Å; I70-K72 PolarHBondContact O-N 3.37Å; K72-Q75 PolarHBondContact O-N 2.87Å; K72-T76 PolarHBondContact O-N 3.38Å; K72-T76 PolarHBondContact O-OG1 3.29Å; K72-T76 VanDerWaalsContact O-OG1 3.1Å |
| 73 | M | 98 | Very high | 97 | Very high | 119 Ų | 119 | 96 Ų | 96 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -46.6 | 175.9 | -171.5 | 70.8 | 76.2 | 0 | 0 | 111.2 | Q69 I70 Q75 T76 A77 | Q69-M73 WeakPolarHBondContact O-CB 3.33Å; Q69-M73 PolarHBondContact O-N 3.15Å; I70-M73 WeakPolarHBondContact O-CB 3.32Å; I70-M73 PolarHBondContact O-N 3.42Å; M73-Q75 VanDerWaalsContact C-N 3.33Å; M73-Q75 PolarHBondContact O-N 3.05Å; M73-T76 WeakPolarHBondContact O-CB 3.32Å; M73-T76 PolarHBondContact O-N 3.34Å; M73-A77 WeakPolarHBondContact O-CB 3.4Å; M73-A77 PolarHBondContact O-N 3.03Å |
| 74 | Q | 97.6 | Very high | 97 | Very high | 124 Ų | 124 | 96.4 Ų | 96.4 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.6 | -43.5 | 175.9 | -72.7 | 173.5 | -5 | 0 | 0 | 111.7 | I70 K71 T76 A77 Y78 | I70-Q74 HydrophobicContact CG2-CG 4.47Å; I70-Q74 VanDerWaalsContact O-CG 3.31Å; I70-Q74 WeakPolarHBondContact O-CG 3.5Å; I70-Q74 PolarHBondContact O-N 3.34Å; K71-Q74 PolarHBondContact O-N 3.25Å; Q74-T76 VanDerWaalsContact C-N 3.34Å; Q74-T76 PolarHBondContact O-N 2.91Å; Q74-A77 PolarHBondContact O-N 3.01Å; Q74-Y78 WeakPolarHBondContact O-CB 3.19Å; Q74-Y78 PolarHBondContact O-N 2.96Å |
| 75 | Q | 97.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 97.1 Ų | 97.1 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 176.7 | -172.8 | 63.6 | 49.2 | 0 | 0 | 111.7 | K71 K72 M73 N79 | K71-Q75 WeakPolarHBondContact O-CB 3.32Å; K71-Q75 PolarHBondContact O-N 2.96Å; K72-Q75 PolarHBondContact O-N 2.87Å; M73-Q75 VanDerWaalsContact C-N 3.33Å; M73-Q75 PolarHBondContact O-N 3.05Å; Q75-N79 PolarHBondContact NE2-OD1 3.45Å; Q75-N79 VanDerWaalsContact O-CB 3.29Å; Q75-N79 WeakPolarHBondContact O-CB 3.29Å; Q75-N79 PolarHBondContact O-N 3.25Å; Q75-N79 PolarHBondContact O-ND2 2.75Å |
| 76 | T | 98.3 | Very high | 96.8 | Very high | 79 Ų | 79 | 98.9 Ų | 98.9 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | K72 M73 Q74 Y78 N79 L80 | K72-T76 PolarHBondContact O-N 3.38Å; K72-T76 PolarHBondContact O-OG1 3.29Å; K72-T76 VanDerWaalsContact O-OG1 3.1Å; M73-T76 WeakPolarHBondContact O-CB 3.32Å; M73-T76 PolarHBondContact O-N 3.34Å; Q74-T76 VanDerWaalsContact C-N 3.34Å; Q74-T76 PolarHBondContact O-N 2.91Å; T76-Y78 PolarHBondContact O-N 3.49Å; T76-N79 PolarHBondContact O-N 3.25Å; T76-L80 WeakPolarHBondContact O-CB 3.42Å; T76-L80 PolarHBondContact O-N 3.48Å |
| 77 | A | 97.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 101.8 Ų | 101.8 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M73 Q74 L80 G81 | M73-A77 WeakPolarHBondContact O-CB 3.4Å; M73-A77 PolarHBondContact O-N 3.03Å; Q74-A77 PolarHBondContact O-N 3.01Å; A77-L80 PolarHBondContact O-N 2.84Å; A77-G81 PolarHBondContact O-N 3.29Å |
| 78 | Y | 97.3 | Very high | 96.4 | Very high | 154 Ų | 154 | 100.9 Ų | 100.9 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -47.1 | 175.6 | 174.7 | -99.4 | 0 | 0 | 0 | 112.2 | Q74 T76 L80 G81 R82 | Q74-Y78 WeakPolarHBondContact O-CB 3.19Å; Q74-Y78 PolarHBondContact O-N 2.96Å; T76-Y78 PolarHBondContact O-N 3.49Å; Y78-L80 VanDerWaalsContact C-N 3.32Å; Y78-L80 PolarHBondContact O-N 3.48Å; Y78-G81 PolarHBondContact O-N 3.11Å; Y78-R82 PolarHBondContact O-N 3.41Å |
| 79 | N | 98.2 | Very high | 96 | Very high | 59 Ų | 59 | 106.3 Ų | 106.3 | 32% | 0.316 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 178 | -74.1 | -19 | 0 | 0 | 0 | 111.7 | Q75 T76 R82 I83 | Q75-N79 PolarHBondContact NE2-OD1 3.45Å; Q75-N79 VanDerWaalsContact O-CB 3.29Å; Q75-N79 WeakPolarHBondContact O-CB 3.29Å; Q75-N79 PolarHBondContact O-N 3.25Å; Q75-N79 PolarHBondContact O-ND2 2.75Å; T76-N79 PolarHBondContact O-N 3.25Å; N79-R82 PolarHBondContact O-N 3.14Å; N79-I83 WeakPolarHBondContact O-CG1 3.37Å; N79-I83 PolarHBondContact O-N 2.87Å; N79-I83 VanDerWaalsContact O-N 3.12Å |
| 80 | L | 98.2 | Very high | 95.9 | Very high | 107 Ų | 107 | 110.2 Ų | 110.2 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.2 | -50.2 | 175.7 | -179.4 | 61.4 | 0 | 0 | 0 | 110.6 | T76 A77 Y78 R82 I83 E84 | T76-L80 WeakPolarHBondContact O-CB 3.42Å; T76-L80 PolarHBondContact O-N 3.48Å; A77-L80 PolarHBondContact O-N 2.84Å; Y78-L80 VanDerWaalsContact C-N 3.32Å; Y78-L80 PolarHBondContact O-N 3.48Å; L80-R82 VanDerWaalsContact C-N 3.28Å; L80-R82 PolarHBondContact O-N 3.33Å; L80-I83 PolarHBondContact O-N 2.91Å; L80-I83 VanDerWaalsContact O-N 3.11Å; L80-E84 WeakPolarHBondContact O-CB 3.33Å; L80-E84 PolarHBondContact O-N 3.04Å |
| 81 | G | 96.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 106.8 Ų | 106.8 | 34% | 0.34 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | A77 Y78 E84 Q85 | A77-G81 PolarHBondContact O-N 3.29Å; Y78-G81 PolarHBondContact O-N 3.11Å; G81-E84 PolarHBondContact O-N 3.02Å; G81-Q85 WeakPolarHBondContact O-CB 3.38Å; G81-Q85 PolarHBondContact O-N 3.12Å |
| 82 | R | 96.3 | Very high | 95.1 | Very high | 127 Ų | 127 | 104.4 Ų | 104.4 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.7 | -171.5 | 179.1 | 63.7 | 84.8 | 2.7 | 112.6 | Y78 N79 L80 Q86 | Y78-R82 PolarHBondContact O-N 3.41Å; N79-R82 PolarHBondContact O-N 3.14Å; L80-R82 VanDerWaalsContact C-N 3.28Å; L80-R82 PolarHBondContact O-N 3.33Å; R82-Q86 PolarHBondContact O-N 2.78Å |
| 83 | I | 97.6 | Very high | 94.7 | Very high | 96 Ų | 96 | 104.8 Ų | 104.8 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.4 | -44.9 | 177.6 | -68.6 | 166.9 | 0 | 0 | 0 | 109.9 | N79 L80 Q85 Q86 E87 | N79-I83 WeakPolarHBondContact O-CG1 3.37Å; N79-I83 PolarHBondContact O-N 2.87Å; N79-I83 VanDerWaalsContact O-N 3.12Å; L80-I83 PolarHBondContact O-N 2.91Å; L80-I83 VanDerWaalsContact O-N 3.11Å; I83-Q85 PolarHBondContact O-N 3Å; I83-Q86 WeakPolarHBondContact O-CB 3.46Å; I83-Q86 PolarHBondContact O-N 2.77Å; I83-E87 PolarHBondContact O-N 3.13Å |
| 84 | E | 95 | Very high | 94.4 | Very high | 112 Ų | 112 | 103.7 Ų | 103.7 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 177.6 | -174.8 | 173.8 | -167.1 | 0 | 0 | 111.2 | L80 G81 Q86 E87 L88 | L80-E84 WeakPolarHBondContact O-CB 3.33Å; L80-E84 PolarHBondContact O-N 3.04Å; G81-E84 PolarHBondContact O-N 3.02Å; E84-Q86 VanDerWaalsContact C-N 3.31Å; E84-Q86 PolarHBondContact O-N 3.22Å; E84-E87 PolarHBondContact O-N 2.97Å; E84-E87 VanDerWaalsContact O-N 3.13Å; E84-L88 HydrophobicContact CG-CD1 4.03Å; E84-L88 HydrophobicContact CG-CG 4.3Å; E84-L88 WeakPolarHBondContact O-CB 3.26Å; E84-L88 VanDerWaalsContact O-CG 3.28Å; E84-L88 WeakPolarHBondContact O-CG 3.5Å; E84-L88 PolarHBondContact O-N 3.48Å |
| 85 | Q | 93.1 | Very high | 93.9 | Very high | 140 Ų | 140 | 106.3 Ų | 106.3 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.3 | -41.2 | 175.5 | -174.1 | -175.6 | 7 | 0 | 0 | 112.3 | G81 I83 E87 L88 R89 | G81-Q85 WeakPolarHBondContact O-CB 3.38Å; G81-Q85 PolarHBondContact O-N 3.12Å; I83-Q85 PolarHBondContact O-N 3Å; Q85-E87 VanDerWaalsContact C-N 3.34Å; Q85-L88 PolarHBondContact O-N 3.41Å; Q85-R89 WeakPolarHBondContact O-CB 3.42Å; Q85-R89 PolarHBondContact O-N 3.49Å |
| 86 | Q | 93.9 | Very high | 93.4 | Very high | 131 Ų | 131 | 106.1 Ų | 106.1 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 176.4 | -179.7 | 177.8 | -11.7 | 0 | 0 | 111.2 | R82 I83 E84 R89 R90 | R82-Q86 PolarHBondContact O-N 2.78Å; I83-Q86 WeakPolarHBondContact O-CB 3.46Å; I83-Q86 PolarHBondContact O-N 2.77Å; E84-Q86 VanDerWaalsContact C-N 3.31Å; E84-Q86 PolarHBondContact O-N 3.22Å; Q86-R89 PolarHBondContact O-N 3.48Å; Q86-R90 PolarHBondContact O-N 3.38Å |
| 87 | E | 94.8 | Very high | 92.6 | Very high | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.4 | -36.8 | 179.7 | -164 | 58.3 | -153 | 0 | 0 | 111.9 | I83 E84 Q85 R89 R90 G91 | I83-E87 PolarHBondContact O-N 3.13Å; E84-E87 PolarHBondContact O-N 2.97Å; E84-E87 VanDerWaalsContact O-N 3.13Å; Q85-E87 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.35Å; E87-R90 CarbonylContact O-C 3.58Å; E87-R90 WeakPolarHBondContact O-CB 3.28Å; E87-R90 PolarHBondContact O-N 3.2Å; E87-R90 WeakPolarHBondContact OE1-CD 3.41Å; E87-R90 IonicContact OE1-NE 3.66Å; E87-G91 PolarHBondContact O-N 3.18Å |
| 88 | L | 90.7 | Very high | 91.7 | Very high | 83 Ų | 83 | 106.5 Ų | 106.5 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 172.7 | -72.7 | 173.7 | 0 | 0 | 0 | 111.5 | E84 Q85 R90 G91 A92 L97 | E84-L88 HydrophobicContact CG-CD1 4.03Å; E84-L88 HydrophobicContact CG-CG 4.3Å; E84-L88 WeakPolarHBondContact O-CB 3.26Å; E84-L88 VanDerWaalsContact O-CG 3.28Å; E84-L88 WeakPolarHBondContact O-CG 3.5Å; E84-L88 PolarHBondContact O-N 3.48Å; Q85-L88 PolarHBondContact O-N 3.41Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.97Å; L88-G91 CarbonylContact O-C 3.59Å; L88-G91 PolarHBondContact O-N 3.33Å; L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 3.12Å; L88-L97 HydrophobicContact CD2-CD1 3.96Å |
| 89 | R | 89.2 | Confident | 90.6 | Very high | 205 Ų | 205 | 106.6 Ų | 106.6 | 77% | 0.774 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | 174.6 | -177.3 | 174.3 | 180 | 158.3 | 1.6 | 111.6 | Q85 Q86 E87 A92 L93 | Q85-R89 WeakPolarHBondContact O-CB 3.42Å; Q85-R89 PolarHBondContact O-N 3.49Å; Q86-R89 PolarHBondContact O-N 3.48Å; E87-R89 PolarHBondContact O-N 3.35Å; R89-A92 PolarHBondContact O-N 3.11Å; R89-L93 PolarHBondContact O-N 3.18Å; R89-L93 VanDerWaalsContact O-N 3.09Å |
| 90 | R | 92.1 | Very high | 89.3 | Confident | 144 Ų | 144 | 110.3 Ų | 110.3 | 54% | 0.543 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 173 | 175.9 | -178.5 | 162.5 | 79.6 | 5.7 | 110.7 | Q86 E87 L88 A92 L93 L94 | Q86-R90 PolarHBondContact O-N 3.38Å; E87-R90 CarbonylContact O-C 3.58Å; E87-R90 WeakPolarHBondContact O-CB 3.28Å; E87-R90 PolarHBondContact O-N 3.2Å; E87-R90 WeakPolarHBondContact OE1-CD 3.41Å; E87-R90 IonicContact OE1-NE 3.66Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.97Å; R90-A92 VanDerWaalsContact C-N 3.34Å; R90-A92 PolarHBondContact O-N 2.96Å; R90-L93 PolarHBondContact O-N 3.22Å; R90-L94 HydrophobicContact CG-CD1 4.01Å; R90-L94 WeakPolarHBondContact O-CG 3.38Å; R90-L94 PolarHBondContact O-N 2.64Å |
| 91 | G | 90.1 | Very high | 87.5 | Confident | 7 Ų | 7 | 111.1 Ų | 111.1 | 7% | 0.072 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E87 L88 L94 R95 V96 | E87-G91 PolarHBondContact O-N 3.18Å; L88-G91 CarbonylContact O-C 3.59Å; L88-G91 PolarHBondContact O-N 3.33Å; G91-L94 CarbonylContact O-C 3.46Å; G91-L94 PolarHBondContact O-N 3.47Å; G91-R95 PolarHBondContact O-N 3.41Å; G91-V96 WeakPolarHBondContact O-CG2 3.45Å; G91-V96 PolarHBondContact O-N 3.47Å; G91-V96 VanDerWaalsContact O-N 3.12Å |
| 92 | A | 87.6 | Confident | 85.7 | Confident | 61 Ų | 61 | 116.7 Ų | 116.7 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L88 R89 R90 L94 R95 | L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 3.12Å; R89-A92 PolarHBondContact O-N 3.11Å; R90-A92 VanDerWaalsContact C-N 3.34Å; R90-A92 PolarHBondContact O-N 2.96Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 2.97Å; A92-R95 PolarHBondContact O-N 3.28Å; A92-R95 VanDerWaalsContact O-N 3.14Å |
| 93 | L | 88.9 | Confident | 83.7 | Confident | 146 Ų | 146 | 116.7 Ų | 116.7 | 76% | 0.764 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.6 | -36.4 | 175.6 | -178.5 | 62.8 | 0 | 0 | 0 | 112.2 | R89 R90 R95 | R89-L93 PolarHBondContact O-N 3.18Å; R89-L93 VanDerWaalsContact O-N 3.09Å; R90-L93 PolarHBondContact O-N 3.22Å; L93-R95 VanDerWaalsContact C-N 3.29Å |
| 94 | L | 92.3 | Very high | 81.6 | Confident | 96 Ų | 96 | 116.3 Ų | 116.3 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | 1.3 | 178.2 | -64 | 176.3 | 0 | 0 | 0 | 113.5 | R90 G91 A92 V96 | R90-L94 HydrophobicContact CG-CD1 4.01Å; R90-L94 WeakPolarHBondContact O-CG 3.38Å; R90-L94 PolarHBondContact O-N 2.64Å; G91-L94 CarbonylContact O-C 3.46Å; G91-L94 PolarHBondContact O-N 3.47Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 2.97Å; L94-V96 HydrophobicContact CB-CG1 4.14Å; L94-V96 PolarHBondContact O-N 3.02Å; L94-V96 VanDerWaalsContact O-N 3.11Å |
| 95 | R | 86.8 | Confident | 79.4 | Confident | 178 Ų | 178 | 119.3 Ų | 119.3 | 67% | 0.672 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.7 | 27.3 | -178.8 | -56.6 | -175 | -177.2 | -171.1 | -2 | 114.6 | G91 A92 L93 L97 E98 | G91-R95 PolarHBondContact O-N 3.41Å; A92-R95 PolarHBondContact O-N 3.28Å; A92-R95 VanDerWaalsContact O-N 3.14Å; L93-R95 VanDerWaalsContact C-N 3.29Å; R95-L97 PolarHBondContact O-N 3.18Å; R95-E98 HydrophobicContact CB-CB 4.43Å; R95-E98 WeakPolarHBondContact CD-OE2 3.36Å; R95-E98 PolarHBondContact O-N 3.27Å |
| 96 | V | 87.7 | Confident | 77.1 | Confident | 99 Ų | 99 | 118.3 Ų | 118.3 | 60% | 0.6 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -11 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | G91 L94 | G91-V96 WeakPolarHBondContact O-CG2 3.45Å; G91-V96 PolarHBondContact O-N 3.47Å; G91-V96 VanDerWaalsContact O-N 3.12Å; L94-V96 HydrophobicContact CB-CG1 4.14Å; L94-V96 PolarHBondContact O-N 3.02Å; L94-V96 VanDerWaalsContact O-N 3.11Å |
| 97 | L | 80.6 | Confident | 75.1 | Confident | 37 Ų | 37 | 119.2 Ų | 119.2 | 19% | 0.194 | 61% | 0.61 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -100.5 | 1.2 | 177.5 | -52.7 | 178.1 | 0 | 0 | 0 | 112.3 | L88 R95 D99 M100 L101 | L88-L97 HydrophobicContact CD2-CD1 3.96Å; R95-L97 PolarHBondContact O-N 3.18Å; L97-D99 VanDerWaalsContact C-N 3.28Å; L97-D99 PolarHBondContact O-N 3.46Å; L97-M100 HydrophobicContact CD2-CE 4.2Å; L97-M100 HydrophobicContact CD2-SD 3.61Å; L97-M100 WeakPolarHBondContact O-CB 3.44Å; L97-M100 PolarHBondContact O-N 3.06Å; L97-L101 PolarHBondContact O-N 3.19Å |
| 98 | E | 79.3 | Confident | 72.5 | Confident | 111 Ų | 111 | 118.9 Ų | 118.9 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.3 | -36.8 | -174.2 | -164.7 | 162.4 | -163.1 | 0 | 0 | 111.4 | R95 M100 L101 | R95-E98 HydrophobicContact CB-CB 4.43Å; R95-E98 WeakPolarHBondContact CD-OE2 3.36Å; R95-E98 PolarHBondContact O-N 3.27Å; E98-M100 VanDerWaalsContact C-N 3.26Å; E98-M100 PolarHBondContact O-N 3.42Å; E98-L101 PolarHBondContact O-N 3.34Å |
| 99 | D | 74.4 | Confident | 70.3 | Confident | 155 Ų | 155 | 124.1 Ų | 124.1 | 83% | 0.829 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -14.5 | 175.3 | -58 | -17.2 | 0 | 0 | 0 | 113.4 | L97 | L97-D99 VanDerWaalsContact C-N 3.28Å; L97-D99 PolarHBondContact O-N 3.46Å |
| 100 | M | 69.9 | Low | 68 | Low | 137 Ų | 137 | 123.3 Ų | 123.3 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -24.4 | 176.3 | -67.4 | 176.8 | 40.3 | 0 | 0 | 112.6 | L97 E98 E102 | L97-M100 HydrophobicContact CD2-CE 4.2Å; L97-M100 HydrophobicContact CD2-SD 3.61Å; L97-M100 WeakPolarHBondContact O-CB 3.44Å; L97-M100 PolarHBondContact O-N 3.06Å; E98-M100 VanDerWaalsContact C-N 3.26Å; E98-M100 PolarHBondContact O-N 3.42Å; M100-E102 VanDerWaalsContact C-N 3.31Å; M100-E102 PolarHBondContact O-N 3.5Å |
| 101 | L | 61 | Low | 65.4 | Low | 124 Ų | 124 | 124.6 Ų | 124.6 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -85.1 | 82.6 | 169.1 | -72.7 | 141.6 | 0 | 0 | 0 | 106.2 | L97 E98 P103 | L97-L101 PolarHBondContact O-N 3.19Å; E98-L101 PolarHBondContact O-N 3.34Å; L101-P103 VanDerWaalsContact O-N 3.15Å |
| 102 | E | 59 | Low | 62.9 | Low | 151 Ų | 151 | 129.7 Ų | 129.7 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | -43.4 | 129.4 | 158.5 | -74.9 | -67.1 | 157.5 | 0 | 0 | 107.1 | M100 S104 | M100-E102 VanDerWaalsContact C-N 3.31Å; M100-E102 PolarHBondContact O-N 3.5Å; E102-S104 PolarHBondContact O-N 2.81Å | ||
| 103 | P | 52.7 | Low | 60.5 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -69.6 | 76.1 | -167.8 | 23.9 | -30.7 | 0 | 0 | 0 | 110.7 | L101 E105 | L101-P103 VanDerWaalsContact O-N 3.15Å; P103-E105 PolarHBondContact O-N 3.09Å | ||
| 104 | S | 53.9 | Low | 58.1 | Low | 88 Ų | 88 | 133.8 Ų | 133.8 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | trans | -85.6 | 107.7 | 169.2 | 60.7 | 0 | 0 | 0 | 0 | 107.5 | E102 | E102-S104 PolarHBondContact O-N 2.81Š| ||
| 105 | E | 49 | Very low | 55.5 | Low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | 16 | 113.2 | 155.9 | -65 | 179.2 | 159.1 | 0 | 0 | 116.7 | P103 I107 | P103-E105 PolarHBondContact O-N 3.09Å; E105-I107 PolarHBondContact O-N 3Å | ||
| 106 | S | 45.5 | Very low | 53.1 | Low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -24 | 102.9 | 167.6 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | P108 | S106-P108 WeakPolarHBondContact O-CD 3.42Š| ||
| 107 | I | 52 | Low | 50.8 | Low | 150 Ų | 150 | 138.5 Ų | 138.5 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -81.5 | 119.2 | 163.7 | -57.5 | 175.8 | 0 | 0 | 0 | 106.7 | E105 H109 | E105-I107 PolarHBondContact O-N 3Å; I107-H109 PolarHBondContact O-N 3.47Å | ||
| 108 | P | 40 | Very low | 48.9 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | -56.9 | 133.2 | 175.3 | -23.8 | 34.4 | 0 | 0 | 0 | 110.5 | S106 E110 | S106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-E110 PolarHBondContact O-N 3.04Å | ||
| 109 | H | 44.7 | Very low | 47.3 | Very low | 192 Ų | 192 | 146 Ų | 146 | 89% | 0.889 | 77% | 0.773 | S | S | * | * | trans | -54.2 | 98.9 | 170.6 | -68.9 | -74.9 | 0 | 0 | 0 | 109.6 | I107 E111 | I107-H109 PolarHBondContact O-N 3.47Å; H109-E111 PolarHBondContact O-N 3.34Å | ||
| 110 | E | 40.8 | Very low | 45.7 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -73.8 | 91.7 | 160 | -69.9 | -147 | 157.5 | 0 | 0 | 107.3 | P108 S112 | P108-E110 PolarHBondContact O-N 3.04Å; E110-S112 VanDerWaalsContact C-N 3.33Å; E110-S112 PolarHBondContact O-N 2.86Å | ||
| 111 | E | 37.2 | Very low | 44.2 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -55.3 | 98.8 | 160.2 | -176.9 | 175.2 | -175.2 | 0 | 0 | 107.5 | H109 V113 | H109-E111 PolarHBondContact O-N 3.34Å; E111-V113 VanDerWaalsContact C-N 3.26Å; E111-V113 PolarHBondContact O-N 3.38Å | ||
| 112 | S | 37.6 | Very low | 43 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -63.6 | 94.6 | 170 | 45.1 | 0 | 0 | 0 | 0 | 108 | E110 E114 | E110-S112 VanDerWaalsContact C-N 3.33Å; E110-S112 PolarHBondContact O-N 2.86Å; S112-E114 PolarHBondContact O-N 2.98Å; S112-E114 VanDerWaalsContact O-N 3.08Å | ||
| 113 | V | 37.2 | Very low | 42.4 | Very low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | -42.1 | 112.1 | 169.3 | 171.1 | 0 | 0 | 0 | 0 | 108.8 | E111 K115 | E111-V113 VanDerWaalsContact C-N 3.26Å; E111-V113 PolarHBondContact O-N 3.38Å; V113-K115 PolarHBondContact O-N 2.9Å | ||
| 114 | E | 37.5 | Very low | 41.8 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -54.2 | 101.1 | 167.4 | -174 | 163.1 | 172.5 | 0 | 0 | 108.1 | S112 D116 | S112-E114 PolarHBondContact O-N 2.98Å; S112-E114 VanDerWaalsContact O-N 3.08Å; E114-D116 VanDerWaalsContact C-N 3.31Å; E114-D116 PolarHBondContact O-N 2.94Å | ||
| 115 | K | 38.5 | Very low | 40.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -74.4 | 93.3 | 173.3 | -119.3 | 178.9 | -177.4 | 175.4 | 0 | 107 | V113 H117 | V113-K115 PolarHBondContact O-N 2.9Å; K115-H117 PolarHBondContact O-N 2.9Å; K115-H117 PolarHBondContact O-ND1 3.14Å | ||
| 116 | D | 36.1 | Very low | 40.4 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -41.1 | 100.4 | 164.3 | -81.6 | -52.6 | 0 | 0 | 0 | 109.8 | E114 | E114-D116 VanDerWaalsContact C-N 3.31Å; E114-D116 PolarHBondContact O-N 2.94Å | ||
| 117 | H | 38.8 | Very low | 40 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -93.3 | 114.7 | 160 | -70.9 | 74.8 | 0 | 0 | 0 | 105.5 | K115 M119 | K115-H117 PolarHBondContact O-N 2.9Å; K115-H117 PolarHBondContact O-ND1 3.14Å; H117-M119 PolarHBondContact O-N 2.88Å; H117-M119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | P | 42.7 | Very low | 39.5 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -60 | 124 | 179.3 | 24.2 | -31 | 0 | 0 | 0 | 108 | D120 | P118-D120 PolarHBondContact O-N 3.39Š| ||
| 119 | M | 45.3 | Very low | 39.4 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | -50.2 | 101.2 | 168 | -77.3 | -79 | -178.9 | 0 | 0 | 108.3 | H117 S121 | H117-M119 PolarHBondContact O-N 2.88Å; H117-M119 VanDerWaalsContact O-N 3.14Å; M119-S121 PolarHBondContact O-N 3.39Å | ||
| 120 | D | 40 | Very low | 39 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 127.7 | 168.4 | -160.4 | -4.1 | 0 | 0 | 0 | 107.5 | P118 A122 | P118-D120 PolarHBondContact O-N 3.39Å; D120-A122 PolarHBondContact O-N 3.14Å | ||
| 121 | S | 39.5 | Very low | 39.1 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -37.9 | 121.1 | -171.6 | 26.7 | 0 | 0 | 0 | 0 | 114.3 | M119 | M119-S121 PolarHBondContact O-N 3.39Š| ||
| 122 | A | 35.7 | Very low | 39.4 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -55.2 | 131 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D120 T124 | D120-A122 PolarHBondContact O-N 3.14Å; A122-T124 PolarHBondContact O-N 3.01Å | ||
| 123 | P | 45.8 | Very low | 39.6 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -68.7 | 101.2 | 165.6 | -9.2 | 24.8 | 0 | 0 | 0 | 108 | ||||
| 124 | T | 39.2 | Very low | 40.3 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 141.6 | 155 | 46.6 | 0 | 0 | 0 | 0 | 108.6 | A122 | A122-T124 PolarHBondContact O-N 3.01Š| ||
| 125 | D | 34.5 | Very low | 40.6 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 102.7 | 93.7 | 162.4 | -157.6 | 28.4 | 0 | 0 | 0 | 116.4 | ||||
| 126 | S | 39.5 | Very low | 40.6 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | -168.6 | 113.6 | 110.1 | -135.9 | 0 | 0 | 0 | 0 | 110.8 | A128 | S126-A128 PolarHBondContact O-N 2.82Š| |||
| 127 | T | 37 | Very low | 41 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -7.9 | 102.3 | 143.7 | -56 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 128 | A | 41.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -101.8 | 103.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108 | S126 E130 | S126-A128 PolarHBondContact O-N 2.82Å; A128-E130 PolarHBondContact O-N 3.08Å | ||
| 129 | E | 39.4 | Very low | 40.9 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -65.3 | 106.4 | 176.4 | -159.9 | 179.2 | 151.8 | 0 | 0 | 109.8 | ||||
| 130 | E | 35.6 | Very low | 40.9 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -74.6 | 151 | 146.8 | -95 | -168.9 | 143.2 | 0 | 0 | 107.5 | A128 | A128-E130 PolarHBondContact O-N 3.08Š| ||
| 131 | P | 41.8 | Very low | 41 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -140.8 | 161.4 | 17 | 37.7 | -18.3 | 0 | 0 | 0 | 114.7 | ||||
| 132 | S | 44.5 | Very low | 41 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -159.3 | 113.2 | 143.6 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | P134 | S132-P134 WeakPolarHBondContact O-CD 3.42Š| ||
| 133 | T | 41.1 | Very low | 41.4 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 83% | 0.828 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.4 | 166.9 | 44.7 | 0 | 0 | 0 | 0 | 110 | ||
| 134 | P | 51.7 | Low | 41.2 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 117 | 157 | 28 | -20.4 | 0 | 0 | 0 | 108.7 | S132 | S132-P134 WeakPolarHBondContact O-CD 3.42Š|
| 135 | S | 44.2 | Very low | 41.3 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 136 | 164.2 | -80.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 136 | T | 38.6 | Very low | 41.7 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | 8.6 | 117.9 | 131 | -50.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 137 | E | 45.1 | Very low | 41.8 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 84% | 0.837 | S | S | * | * | trans | -177.1 | 110.5 | 138.1 | -102.1 | 167.1 | -161.5 | 0 | 0 | 107.7 | ||||
| 138 | A | 39.9 | Very low | 42.1 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | 98.9 | 115.1 | 89.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 139 | V | 39.4 | Very low | 42.2 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 90% | 0.903 | 84% | 0.842 | S | S | * | * | trans | -46.6 | 125.9 | 170.1 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 140 | A | 45.4 | Very low | 42.4 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 74% | 0.736 | 84% | 0.84 | S | S | * | * | trans | -142.8 | 91 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C142 | A140-C142 PolarHBondContact O-N 2.99Š| ||
| 141 | N | 41 | Very low | 42.9 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 84% | 0.841 | S | S | * | * | trans | -3.7 | 110.8 | 145.5 | -158.6 | 35.1 | 0 | 0 | 0 | 116.2 | ||||
| 142 | C | 40.9 | Very low | 43 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 87% | 0.872 | 85% | 0.848 | S | S | * | * | trans | -101.4 | 115.3 | 160.6 | -87.5 | 0 | 0 | 0 | 0 | 108.9 | A140 | A140-C142 PolarHBondContact O-N 2.99Š| ||
| 143 | K | 44.5 | Very low | 42.9 | Very low | 274 Ų | 274 | 143.1 Ų | 143.1 | 100% | 1.191 | 85% | 0.852 | S | S | * | * | trans | -25.6 | 0 | 171 | -104.9 | 167.9 | 169.2 | 178.1 | 0 | 117.3 |
Retrieved 143 of 143 residues in 123.6 ms
(Link to these results)