| 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 | 40.9 | Very low | 36.6 | Very low | 238 Ų | 238 | 155.9 Ų | 155.9 | 100% | 1.172 | 85% | 0.852 | S | S | * | * | 0 | 114.8 | 0 | -81.3 | 78.4 | 164.9 | 0 | 0 | 108.9 | |||||
| 2 | K | 35 | Very low | 36.7 | Very low | 207 Ų | 207 | 153.3 Ų | 153.3 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | trans | -87.9 | 137.1 | 163.9 | -76.5 | 171.6 | 174 | 174 | 0 | 106.7 | ||||
| 3 | C | 33.2 | Very low | 36.9 | Very low | 132 Ų | 132 | 157.9 Ų | 157.9 | 89% | 0.892 | 83% | 0.834 | S | S | * | * | trans | -118.8 | 127.1 | 161.5 | -70.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 4 | E | 29.4 | Very low | 36.9 | Very low | 185 Ų | 185 | 157.8 Ų | 157.8 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -76.2 | 159.6 | -165.3 | -142.4 | 146.7 | 116.2 | 0 | 0 | 112.8 | ||||
| 5 | E | 34.4 | Very low | 37.3 | Very low | 170 Ų | 170 | 160.5 Ų | 160.5 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -67.6 | 140.1 | 179.5 | -61.9 | 169.3 | 153 | 0 | 0 | 111.2 | ||||
| 6 | T | 36.5 | Very low | 37.8 | Very low | 143 Ų | 143 | 157.7 Ų | 157.7 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -116.7 | 114.3 | 164 | 43.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 7 | H | 34 | Very low | 38.4 | Very low | 175 Ų | 175 | 157.6 Ų | 157.6 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -68.7 | 140.9 | 172.6 | -97.3 | -121.9 | 0 | 0 | 0 | 111.2 | ||||
| 8 | A | 38.6 | Very low | 38.9 | Very low | 91 Ų | 91 | 156.9 Ų | 156.9 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -76.2 | 162.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 9 | P | 44.2 | Very low | 39.2 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -133.7 | 121 | 136.1 | 32.5 | -17.7 | 0 | 0 | 0 | 114.3 | ||||
| 10 | N | 37.2 | Very low | 39.5 | Very low | 149 Ų | 149 | 151.9 Ų | 151.9 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 54.4 | 136.9 | 134.2 | -157.5 | 12.8 | 0 | 0 | 0 | 123.3 | ||||
| 11 | S | 38.6 | Very low | 39.9 | Very low | 102 Ų | 102 | 154 Ų | 154 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 82.8 | 135.3 | 145.9 | 67.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 12 | N | 38.3 | Very low | 39.9 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | cis | -170.6 | 155.3 | -6.3 | -163.5 | -0.2 | 0 | 0 | 0 | 107.9 | ||||
| 13 | W | 39.9 | Very low | 40.5 | Very low | 213 Ų | 213 | 147.7 Ų | 147.7 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 61.9 | 104.4 | 165.4 | -59.6 | 106.1 | 0 | 0 | 0 | 120.5 | ||||
| 14 | L | 36.3 | Very low | 41.3 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | -179.2 | 102.4 | 102.1 | -92.4 | 162.9 | 0 | 0 | 0 | 107.8 | V16 | L14-V16 PolarHBondContact O-N 2.64Š| |||
| 15 | Y | 43 | Very low | 42.4 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -72.5 | 85.3 | 174 | -152.9 | -84.1 | 0 | 0 | 0 | 108.2 | M17 | Y15-M17 HydrophobicContact CD1-CG 3.87Å; Y15-M17 HydrophobicContact CD1-SD 3.98Å; Y15-M17 HydrophobicContact CE1-CE 4.19Å; Y15-M17 HydrophobicContact CE1-CG 4.01Å; Y15-M17 HydrophobicContact CE1-SD 3.49Å; Y15-M17 WeakPolarHBondContact CE1-SD 3.21Å; Y15-M17 PolarHBondContact O-N 2.98Å; Y15-M17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | V | 45.9 | Very low | 43.3 | Very low | 115 Ų | 115 | 146 Ų | 146 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | -70.5 | 106.5 | 160.5 | -142 | 0 | 0 | 0 | 0 | 104.8 | L14 L18 | L14-V16 PolarHBondContact O-N 2.64Å; V16-L18 PolarHBondContact O-N 3.22Å | ||
| 17 | M | 47.6 | Very low | 44.3 | Very low | 157 Ų | 157 | 143 Ų | 143 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -59.7 | 79.2 | 169 | -79.8 | -81 | -158.3 | 0 | 0 | 108.8 | Y15 | Y15-M17 HydrophobicContact CD1-CG 3.87Å; Y15-M17 HydrophobicContact CD1-SD 3.98Å; Y15-M17 HydrophobicContact CE1-CE 4.19Å; Y15-M17 HydrophobicContact CE1-CG 4.01Å; Y15-M17 HydrophobicContact CE1-SD 3.49Å; Y15-M17 WeakPolarHBondContact CE1-SD 3.21Å; Y15-M17 PolarHBondContact O-N 2.98Å; Y15-M17 VanDerWaalsContact O-N 3.15Å | ||
| 18 | L | 46.5 | Very low | 45.4 | Very low | 145 Ų | 145 | 141 Ų | 141 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -57.2 | 132.5 | 161 | -82.7 | 139.6 | 0 | 0 | 0 | 106.8 | V16 S20 | V16-L18 PolarHBondContact O-N 3.22Å; L18-S20 PolarHBondContact O-N 3.43Å | ||
| 19 | P | 45.2 | Very low | 46.4 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | trans | -56.1 | 121.4 | 178.9 | 23.4 | -31 | 0 | 0 | 0 | 107.4 | K21 | P19-K21 PolarHBondContact O-N 3.05Š| ||
| 20 | S | 45.6 | Very low | 46.9 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | trans | -45.1 | 101.3 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | L18 K22 | L18-S20 PolarHBondContact O-N 3.43Å; S20-K22 PolarHBondContact O-N 3.42Å | ||
| 21 | K | 47.9 | Very low | 48 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 85% | 0.852 | 70% | 0.697 | S | S | * | * | trans | -68.4 | 85 | 161.8 | -69.5 | -170.2 | -179.2 | -177 | 0 | 104.8 | P19 T23 | P19-K21 PolarHBondContact O-N 3.05Å; K21-T23 PolarHBondContact O-N 2.89Å | ||
| 22 | K | 39.7 | Very low | 49 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -51.3 | 109.3 | 166.8 | -66.7 | -178.8 | -178.4 | 176.8 | 0 | 105.2 | S20 V24 | S20-K22 PolarHBondContact O-N 3.42Å; K22-V24 HydrophobicContact CB-CG2 4.08Å; K22-V24 PolarHBondContact O-N 3.19Å | ||
| 23 | T | 48.1 | Very low | 50.2 | Low | 141 Ų | 141 | 135.6 Ų | 135.6 | 87% | 0.865 | 69% | 0.69 | S | S | * | * | trans | -71.3 | 77.4 | 169.8 | 51.8 | 0 | 0 | 0 | 0 | 106.3 | K21 R25 | K21-T23 PolarHBondContact O-N 2.89Å; T23-R25 PolarHBondContact O-N 3.41Å; T23-R25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | V | 50.6 | Low | 52 | Low | 107 Ų | 107 | 131.5 Ų | 131.5 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | trans | -64.7 | 112.2 | 170.5 | 179.3 | 0 | 0 | 0 | 0 | 105 | K22 M26 | K22-V24 HydrophobicContact CB-CG2 4.08Å; K22-V24 PolarHBondContact O-N 3.19Å; V24-M26 PolarHBondContact O-N 3.03Å | ||
| 25 | R | 52.1 | Low | 54.1 | Low | 242 Ų | 242 | 126.7 Ų | 126.7 | 91% | 0.913 | 65% | 0.65 | S | S | * | * | trans | -64.3 | 94 | 170.7 | -168.4 | 178.1 | -175.4 | -170.1 | 1.9 | 106.7 | T23 | T23-R25 PolarHBondContact O-N 3.41Å; T23-R25 VanDerWaalsContact O-N 3.11Å | ||
| 26 | M | 53.3 | Low | 55.7 | Low | 103 Ų | 103 | 120.9 Ų | 120.9 | 51% | 0.507 | 64% | 0.637 | S | S | . | * | trans | -56.6 | 127.1 | -178.5 | -93.7 | 179.1 | 74.1 | 0 | 0 | 109 | V24 V28 T30 R34 | V24-M26 PolarHBondContact O-N 3.03Å; M26-V28 PolarHBondContact O-N 3.2Å; M26-T30 VanDerWaalsContact CB-OG1 3.23Å; M26-T30 WeakPolarHBondContact CB-OG1 3.42Å; M26-T30 VanDerWaalsContact CE-CB 3.48Å; M26-T30 WeakPolarHBondContact CE-OG1 3.37Å; M26-R34 HydrophobicContact CE-CG 4.38Å | ||
| 27 | P | 57.3 | Low | 57.1 | Low | 79 Ų | 79 | 119.5 Ų | 119.5 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | trans | -53.8 | 141.8 | 174.6 | -19.1 | 26.5 | 0 | 0 | 0 | 109.5 | V29 T30 G31 | P27-V29 PolarHBondContact O-N 3.36Å; P27-T30 HydrophobicContact CB-CG2 4.34Å; P27-T30 WeakPolarHBondContact CD-OG1 3.31Å; P27-T30 HydrophobicContact CG-CG2 4.11Å; P27-T30 WeakPolarHBondContact O-CA 3.34Å; P27-T30 WeakPolarHBondContact O-CB 3.46Å; P27-T30 PolarHBondContact O-N 3.41Å; P27-T30 PolarHBondContact O-OG1 3.06Å; P27-G31 PolarHBondContact O-N 3.45Å | ||
| 28 | V | 57.8 | Low | 58.6 | Low | 134 Ų | 134 | 116.1 Ų | 116.1 | 81% | 0.812 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -50.5 | -30.2 | -179.5 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | M26 T30 G31 R32 | M26-V28 PolarHBondContact O-N 3.2Å; V28-T30 PolarHBondContact O-N 2.92Å; V28-G31 PolarHBondContact O-N 3.16Å; V28-R32 PolarHBondContact O-N 3.24Å |
| 29 | V | 58.3 | Low | 60.4 | Low | 110 Ų | 110 | 110.4 Ų | 110.4 | 67% | 0.667 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.3 | -39.6 | 173.6 | 178 | 0 | 0 | 0 | 0 | 112.8 | P27 G31 R32 | P27-V29 PolarHBondContact O-N 3.36Å; V29-G31 VanDerWaalsContact C-N 3.32Å; V29-R32 PolarHBondContact O-N 2.9Å |
| 30 | T | 55.5 | Low | 62.6 | Low | 43 Ų | 43 | 106.4 Ų | 106.4 | 26% | 0.264 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -73.1 | -24.5 | 178.4 | 63.9 | 0 | 0 | 0 | 0 | 112.7 | M26 P27 V28 | M26-T30 VanDerWaalsContact CB-OG1 3.23Å; M26-T30 WeakPolarHBondContact CB-OG1 3.42Å; M26-T30 VanDerWaalsContact CE-CB 3.48Å; M26-T30 WeakPolarHBondContact CE-OG1 3.37Å; P27-T30 HydrophobicContact CB-CG2 4.34Å; P27-T30 WeakPolarHBondContact CD-OG1 3.31Å; P27-T30 HydrophobicContact CG-CG2 4.11Å; P27-T30 WeakPolarHBondContact O-CA 3.34Å; P27-T30 WeakPolarHBondContact O-CB 3.46Å; P27-T30 PolarHBondContact O-N 3.41Å; P27-T30 PolarHBondContact O-OG1 3.06Å; V28-T30 PolarHBondContact O-N 2.92Å |
| 31 | G | 60.1 | Low | 64.9 | Low | 40 Ų | 40 | 101.8 Ų | 101.8 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P27 V28 V29 L33 R34 D35 | P27-G31 PolarHBondContact O-N 3.45Å; V28-G31 PolarHBondContact O-N 3.16Å; V29-G31 VanDerWaalsContact C-N 3.32Å; G31-L33 VanDerWaalsContact C-N 3.27Å; G31-L33 PolarHBondContact O-N 3.45Å; G31-R34 WeakPolarHBondContact O-CB 3.42Å; G31-R34 PolarHBondContact O-N 3Å; G31-R34 VanDerWaalsContact O-N 3.09Å; G31-D35 PolarHBondContact O-N 3.14Å |
| 32 | R | 60.3 | Low | 67 | Low | 172 Ų | 172 | 93.8 Ų | 93.8 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -28.1 | 178 | -163.1 | 178.7 | -71.8 | -170.2 | -2.4 | 113 | V28 V29 R34 D35 I38 | V28-R32 PolarHBondContact O-N 3.24Å; V29-R32 PolarHBondContact O-N 2.9Å; R32-R34 PolarHBondContact O-N 2.82Å; R32-D35 WeakPolarHBondContact O-CB 3.42Å; R32-D35 PolarHBondContact O-N 2.8Å; R32-I38 HydrophobicContact CG-CD1 3.46Å; R32-I38 VanDerWaalsContact CG-CD1 3.46Å |
| 33 | L | 63.8 | Low | 69.5 | Low | 112 Ų | 112 | 90 Ų | 90 | 59% | 0.586 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.6 | 174.9 | -67.5 | 173.7 | 0 | 0 | 0 | 113.1 | G31 N39 L42 | G31-L33 VanDerWaalsContact C-N 3.27Å; G31-L33 PolarHBondContact O-N 3.45Å; L33-N39 WeakPolarHBondContact O-CB 3.29Å; L33-N39 PolarHBondContact O-ND2 3.19Å; L33-L42 WeakPolarHBondContact O-CD2 3.4Å |
| 34 | R | 77.2 | Confident | 71.6 | Confident | 127 Ų | 127 | 84.4 Ų | 84.4 | 48% | 0.479 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -4.3 | 176.5 | -70.1 | -70.4 | -162.2 | 170.8 | -11.8 | 113.2 | M26 G31 R32 P36 L42 D46 | M26-R34 HydrophobicContact CE-CG 4.38Å; G31-R34 WeakPolarHBondContact O-CB 3.42Å; G31-R34 PolarHBondContact O-N 3Å; G31-R34 VanDerWaalsContact O-N 3.09Å; R32-R34 PolarHBondContact O-N 2.82Å; R34-P36 WeakPolarHBondContact O-CD 3.48Å; R34-L42 WeakPolarHBondContact O-CD1 3.36Å; R34-D46 IonicContact CZ-OD1 2.77Å; R34-D46 IonicContact CZ-OD2 2.74Å; R34-D46 IonicContact NH1-OD1 3.95Å; R34-D46 PolarHBondContact NH1-OD1 2.95Å; R34-D46 IonicContact NH1-OD2 3.04Å; R34-D46 PolarHBondContact NH1-OD2 2.73Å; R34-D46 IonicContact NH2-OD1 2.67Å; R34-D46 PolarHBondContact NH2-OD1 2.81Å |
| 35 | D | 79.1 | Confident | 73.6 | Confident | 54 Ų | 54 | 80.5 Ų | 80.5 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | trans | -71 | 117.6 | -178.6 | -174.3 | -29.3 | 0 | 0 | 0 | 110.1 | G31 R32 D37 I38 N39 | G31-D35 PolarHBondContact O-N 3.14Å; R32-D35 WeakPolarHBondContact O-CB 3.42Å; R32-D35 PolarHBondContact O-N 2.8Å; D35-D37 PolarHBondContact O-N 2.76Å; D35-D37 WeakPolarHBondContact OD1-CA 3.39Å; D35-D37 WeakPolarHBondContact OD1-CB 3.22Å; D35-D37 PolarHBondContact OD1-N 3.28Å; D35-I38 HydrophobicContact CB-CB 4.04Å; D35-I38 HydrophobicContact CB-CD1 3.95Å; D35-I38 HydrophobicContact CB-CG1 4.02Å; D35-I38 PolarHBondContact O-N 3.44Å; D35-I38 VanDerWaalsContact O-N 3.12Å; D35-I38 WeakPolarHBondContact OD2-CD1 3.11Å; D35-N39 PolarHBondContact O-N 3.45Å | ||
| 36 | P | 78 | Confident | 75.6 | Confident | 78 Ų | 78 | 71.4 Ų | 71.4 | 51% | 0.506 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.1 | 179.1 | -22.3 | 34 | 0 | 0 | 0 | 113.3 | R34 L42 R98 | R34-P36 WeakPolarHBondContact O-CD 3.48Å; P36-L42 HydrophobicContact CB-CD1 4.32Å; P36-L42 HydrophobicContact CG-CD1 4.24Å; P36-R98 PolarHBondContact O-NH1 2.87Å |
| 37 | D | 75.4 | Confident | 77.6 | Confident | 85 Ų | 85 | 67.8 Ų | 67.8 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -21.3 | 179.4 | -70.8 | -44.4 | 0 | 0 | 0 | 112.2 | D35 A95 R98 | D35-D37 PolarHBondContact O-N 2.76Å; D35-D37 WeakPolarHBondContact OD1-CA 3.39Å; D35-D37 WeakPolarHBondContact OD1-CB 3.22Å; D35-D37 PolarHBondContact OD1-N 3.28Å; D37-A95 WeakPolarHBondContact OD1-CB 3.33Å; D37-A95 PolarHBondContact OD1-N 3.21Å; D37-R98 PolarHBondContact O-NH2 2.88Å |
| 38 | I | 78.3 | Confident | 79.3 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -42.6 | -179.8 | -59.2 | 176 | 0 | 0 | 0 | 111.6 | R32 D35 P40 | R32-I38 HydrophobicContact CG-CD1 3.46Å; R32-I38 VanDerWaalsContact CG-CD1 3.46Å; D35-I38 HydrophobicContact CB-CB 4.04Å; D35-I38 HydrophobicContact CB-CD1 3.95Å; D35-I38 HydrophobicContact CB-CG1 4.02Å; D35-I38 PolarHBondContact O-N 3.44Å; D35-I38 VanDerWaalsContact O-N 3.12Å; D35-I38 WeakPolarHBondContact OD2-CD1 3.11Å; I38-P40 WeakPolarHBondContact O-CD 3.48Å |
| 39 | N | 85.3 | Confident | 81 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | trans | -110.7 | 106.4 | -174.3 | -173.1 | -2.4 | 0 | 0 | 0 | 111.4 | L33 D35 C41 L42 | L33-N39 WeakPolarHBondContact O-CB 3.29Å; L33-N39 PolarHBondContact O-ND2 3.19Å; D35-N39 PolarHBondContact O-N 3.45Å; N39-C41 PolarHBondContact O-N 3.27Å; N39-C41 PolarHBondContact OD1-N 3.01Å; N39-L42 HydrophobicContact CB-CD2 3.97Å; N39-L42 HydrophobicContact CB-CG 4.03Å; N39-L42 WeakPolarHBondContact O-CG 3.38Å | ||
| 40 | P | 90.8 | Very high | 82.8 | Confident | 30 Ų | 30 | 63.9 Ų | 63.9 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.2 | 178.2 | 31.4 | -36.5 | 0 | 0 | 0 | 114.2 | I38 W76 M92 R98 | I38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-W76 HydrophobicContact CB-CB 4.31Å; P40-W76 HydrophobicContact CB-CD2 3.82Å; P40-W76 HydrophobicContact CB-CG 3.57Å; P40-W76 HydrophobicContact CG-CB 3.71Å; P40-W76 VanDerWaalsContact CG-CD1 3.45Å; P40-W76 HydrophobicContact CG-CD2 4.22Å; P40-W76 HydrophobicContact CG-CG 3.49Å; P40-W76 VanDerWaalsContact CG-CG 3.49Å; P40-M92 HydrophobicContact CB-CE 4.47Å; P40-M92 HydrophobicContact CG-CE 3.82Å; P40-R98 VanDerWaalsContact CB-NH1 3.3Å; P40-R98 VanDerWaalsContact N-NH1 3.16Å |
| 41 | C | 93.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 31.4 | -172.7 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | N39 E44 S45 Y69 C72 R73 | N39-C41 PolarHBondContact O-N 3.27Å; N39-C41 PolarHBondContact OD1-N 3.01Å; C41-E44 PolarHBondContact O-N 2.94Å; C41-S45 WeakPolarHBondContact O-CB 3.44Å; C41-S45 PolarHBondContact O-N 3.42Å; C41-S45 PolarHBondContact O-OG 3.33Å; C41-Y69 HydrophobicContact CB-CD2 3.75Å; C41-Y69 HydrophobicContact CB-CE2 3.73Å; C41-C72 WeakPolarHBondContact CA-SG 3.43Å; C41-C72 HydrophobicContact CB-CB 3.87Å; C41-C72 WeakPolarHBondContact CB-SG 3.39Å; C41-C72 WeakPolarHBondContact SG-CB 3.45Å; C41-C72 CovalentContact SG-SG 2.03Å; C41-C72 PolarHBondContact SG-SG 2.86Å; C41-R73 PolarHBondContact SG-N 3.08Å; C41-R73 VanDerWaalsContact SG-N 3.38Å |
| 42 | L | 92 | Very high | 86.4 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 179.9 | -73.7 | 172.9 | 0 | 0 | 0 | 112.1 | L33 R34 P36 N39 E44 S45 D46 | L33-L42 WeakPolarHBondContact O-CD2 3.4Å; R34-L42 WeakPolarHBondContact O-CD1 3.36Å; P36-L42 HydrophobicContact CB-CD1 4.32Å; P36-L42 HydrophobicContact CG-CD1 4.24Å; N39-L42 HydrophobicContact CB-CD2 3.97Å; N39-L42 HydrophobicContact CB-CG 4.03Å; N39-L42 WeakPolarHBondContact O-CG 3.38Å; L42-E44 VanDerWaalsContact C-N 3.3Å; L42-E44 PolarHBondContact O-N 3.44Å; L42-S45 WeakPolarHBondContact O-CB 3.38Å; L42-S45 PolarHBondContact O-N 2.87Å; L42-S45 VanDerWaalsContact O-N 3.13Å; L42-D46 WeakPolarHBondContact O-CB 3.3Å; L42-D46 PolarHBondContact O-N 3.09Å |
| 43 | S | 91.8 | Very high | 88.1 | Confident | 91 Ų | 91 | 57.4 Ų | 57.4 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.6 | -43.5 | -179.9 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | D46 A47 | S43-D46 PolarHBondContact O-N 3.11Å; S43-A47 WeakPolarHBondContact O-CB 3.35Å; S43-A47 PolarHBondContact O-N 2.86Å |
| 44 | E | 93.9 | Very high | 89.6 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.1 | -36.4 | 178.4 | -53.1 | -48.2 | 143.4 | 0 | 0 | 112.3 | C41 L42 D46 A47 S48 K68 Y69 C72 Y110 | C41-E44 PolarHBondContact O-N 2.94Å; L42-E44 VanDerWaalsContact C-N 3.3Å; L42-E44 PolarHBondContact O-N 3.44Å; E44-D46 VanDerWaalsContact C-N 3.35Å; E44-A47 PolarHBondContact O-N 3.5Å; E44-S48 WeakPolarHBondContact O-CB 3.41Å; E44-S48 PolarHBondContact O-N 3.32Å; E44-S48 PolarHBondContact O-OG 3.22Å; E44-K68 HydrophobicContact CG-CB 4.33Å; E44-K68 VanDerWaalsContact OE2-CB 3.3Å; E44-K68 WeakPolarHBondContact OE2-CB 3.44Å; E44-Y69 HydrophobicContact CB-CD2 4.19Å; E44-C72 HydrophobicContact CG-CB 4.24Å; E44-Y110 HydrophobicContact CG-CD2 4.11Å; E44-Y110 HydrophobicContact CG-CE2 3.99Å |
| 45 | S | 92.6 | Very high | 90.4 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.8 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | C41 L42 S48 T49 Y69 | C41-S45 WeakPolarHBondContact O-CB 3.44Å; C41-S45 PolarHBondContact O-N 3.42Å; C41-S45 PolarHBondContact O-OG 3.33Å; L42-S45 WeakPolarHBondContact O-CB 3.38Å; L42-S45 PolarHBondContact O-N 2.87Å; L42-S45 VanDerWaalsContact O-N 3.13Å; S45-S48 PolarHBondContact O-N 2.62Å; S45-S48 PolarHBondContact O-OG 3.06Å; S45-T49 WeakPolarHBondContact O-CB 3.34Å; S45-T49 PolarHBondContact O-N 3.48Å; S45-T49 PolarHBondContact O-OG1 2.92Å; S45-Y69 WeakPolarHBondContact OG-CD2 3.44Å; S45-Y69 WeakPolarHBondContact OG-CE2 3.38Å |
| 46 | D | 93.4 | Very high | 91.2 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 177.8 | -79.3 | -24.8 | 0 | 0 | 0 | 112.6 | R34 L42 S43 E44 S48 T49 R50 | R34-D46 IonicContact CZ-OD1 2.77Å; R34-D46 IonicContact CZ-OD2 2.74Å; R34-D46 IonicContact NH1-OD1 3.95Å; R34-D46 PolarHBondContact NH1-OD1 2.95Å; R34-D46 IonicContact NH1-OD2 3.04Å; R34-D46 PolarHBondContact NH1-OD2 2.73Å; R34-D46 IonicContact NH2-OD1 2.67Å; R34-D46 PolarHBondContact NH2-OD1 2.81Å; L42-D46 WeakPolarHBondContact O-CB 3.3Å; L42-D46 PolarHBondContact O-N 3.09Å; S43-D46 PolarHBondContact O-N 3.11Å; E44-D46 VanDerWaalsContact C-N 3.35Å; D46-S48 VanDerWaalsContact C-N 3.34Å; D46-S48 PolarHBondContact O-N 3.29Å; D46-T49 PolarHBondContact O-N 3.07Å; D46-R50 WeakPolarHBondContact O-CB 3.33Å; D46-R50 PolarHBondContact O-N 3.4Å |
| 47 | A | 94.5 | Very high | 91.8 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S43 E44 R50 C51 Y65 | S43-A47 WeakPolarHBondContact O-CB 3.35Å; S43-A47 PolarHBondContact O-N 2.86Å; E44-A47 PolarHBondContact O-N 3.5Å; A47-R50 PolarHBondContact O-N 3.23Å; A47-C51 WeakPolarHBondContact O-CB 3.37Å; A47-C51 PolarHBondContact O-N 3.04Å; A47-Y65 HydrophobicContact CB-CD1 3.66Å; A47-Y65 HydrophobicContact CB-CE1 4.01Å |
| 48 | S | 93.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 177 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | E44 S45 D46 C51 L52 | E44-S48 WeakPolarHBondContact O-CB 3.41Å; E44-S48 PolarHBondContact O-N 3.32Å; E44-S48 PolarHBondContact O-OG 3.22Å; S45-S48 PolarHBondContact O-N 2.62Å; S45-S48 PolarHBondContact O-OG 3.06Å; D46-S48 VanDerWaalsContact C-N 3.34Å; D46-S48 PolarHBondContact O-N 3.29Å; S48-C51 PolarHBondContact O-N 3.28Å; S48-L52 WeakPolarHBondContact O-CG 3.39Å; S48-L52 PolarHBondContact O-N 2.94Å; S48-L52 VanDerWaalsContact O-N 3.13Å |
| 49 | T | 93.6 | Very high | 93.3 | Very high | 65 Ų | 65 | 64 Ų | 64 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 176.7 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | S45 D46 C51 L52 D53 | S45-T49 WeakPolarHBondContact O-CB 3.34Å; S45-T49 PolarHBondContact O-N 3.48Å; S45-T49 PolarHBondContact O-OG1 2.92Å; D46-T49 PolarHBondContact O-N 3.07Å; T49-C51 VanDerWaalsContact C-N 3.34Å; T49-C51 PolarHBondContact O-N 2.86Å; T49-L52 WeakPolarHBondContact O-CB 3.5Å; T49-L52 PolarHBondContact O-N 2.97Å; T49-D53 PolarHBondContact O-N 3.3Å |
| 50 | R | 95.6 | Very high | 93.8 | Very high | 165 Ų | 165 | 70 Ų | 70 | 62% | 0.623 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 176.2 | -175.2 | -179.6 | -57.4 | 173.7 | 3.7 | 112 | D46 A47 L52 D53 E54 | D46-R50 WeakPolarHBondContact O-CB 3.33Å; D46-R50 PolarHBondContact O-N 3.4Å; A47-R50 PolarHBondContact O-N 3.23Å; R50-L52 VanDerWaalsContact C-N 3.29Å; R50-L52 PolarHBondContact O-N 3.34Å; R50-D53 PolarHBondContact O-N 3.37Å; R50-E54 HydrophobicContact CG-CG 4.46Å; R50-E54 VanDerWaalsContact CG-OE1 3.27Å; R50-E54 WeakPolarHBondContact CG-OE1 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.45Å; R50-E54 PolarHBondContact O-N 3.06Å |
| 51 | C | 96.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 76.7 Ų | 76.7 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | A47 S48 T49 E54 N55 C62 Y65 | A47-C51 WeakPolarHBondContact O-CB 3.37Å; A47-C51 PolarHBondContact O-N 3.04Å; S48-C51 PolarHBondContact O-N 3.28Å; T49-C51 VanDerWaalsContact C-N 3.34Å; T49-C51 PolarHBondContact O-N 2.86Å; C51-E54 PolarHBondContact O-N 3.12Å; C51-N55 WeakPolarHBondContact O-CB 3.37Å; C51-N55 PolarHBondContact O-N 3.37Å; C51-N55 PolarHBondContact O-ND2 2.82Å; C51-C62 HydrophobicContact CB-CB 3.85Å; C51-C62 WeakPolarHBondContact CB-SG 3.35Å; C51-C62 PolarHBondContact O-SG 2.96Å; C51-C62 VanDerWaalsContact O-SG 3.41Å; C51-C62 WeakPolarHBondContact SG-CA 3.47Å; C51-C62 WeakPolarHBondContact SG-CB 3.46Å; C51-C62 CovalentContact SG-SG 2.03Å; C51-C62 PolarHBondContact SG-SG 3.23Å; C51-Y65 HydrophobicContact CB-CD2 3.6Å; C51-Y65 HydrophobicContact CB-CE2 3.7Å; C51-Y65 HydrophobicContact CB-CG 4.33Å; C51-Y65 VanDerWaalsContact SG-CD2 3.57Å; C51-Y65 VanDerWaalsContact SG-CE2 3.6Å |
| 52 | L | 94.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 76.7 Ų | 76.7 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 176 | -71.8 | 170.8 | 0 | 0 | 0 | 111.7 | S48 T49 R50 E54 N55 N56 Y57 K59 F66 | S48-L52 WeakPolarHBondContact O-CG 3.39Å; S48-L52 PolarHBondContact O-N 2.94Å; S48-L52 VanDerWaalsContact O-N 3.13Å; T49-L52 WeakPolarHBondContact O-CB 3.5Å; T49-L52 PolarHBondContact O-N 2.97Å; R50-L52 VanDerWaalsContact C-N 3.29Å; R50-L52 PolarHBondContact O-N 3.34Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 2.67Å; L52-N55 PolarHBondContact O-N 2.88Å; L52-N56 PolarHBondContact O-N 3.33Å; L52-Y57 HydrophobicContact CB-CD1 4.16Å; L52-Y57 HydrophobicContact CB-CE1 4.42Å; L52-Y57 HydrophobicContact CB-CG 4.4Å; L52-Y57 WeakPolarHBondContact O-CA 3.38Å; L52-Y57 PolarHBondContact O-N 3.38Å; L52-K59 HydrophobicContact CD2-CG 4.09Å; L52-F66 HydrophobicContact CD1-CE1 4.38Å; L52-F66 HydrophobicContact CD1-CZ 3.95Å; L52-F66 HydrophobicContact CD2-CZ 4.02Å; L52-F66 HydrophobicContact CG-CZ 4.05Å |
| 53 | D | 95.6 | Very high | 94.2 | Very high | 88 Ų | 88 | 78.3 Ų | 78.3 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 179.3 | -70.6 | -27.3 | 0 | 0 | 0 | 111.9 | T49 R50 Y57 | T49-D53 PolarHBondContact O-N 3.3Å; R50-D53 PolarHBondContact O-N 3.37Å; D53-Y57 PolarHBondContact OD1-OH 2.98Å |
| 54 | E | 96.4 | Very high | 94.4 | Very high | 135 Ų | 135 | 78.1 Ų | 78.1 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -77.3 | -25.8 | 178.7 | -70.5 | 171.8 | -172.7 | 0 | 0 | 113.7 | R50 C51 L52 | R50-E54 HydrophobicContact CG-CG 4.46Å; R50-E54 VanDerWaalsContact CG-OE1 3.27Å; R50-E54 WeakPolarHBondContact CG-OE1 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.45Å; R50-E54 PolarHBondContact O-N 3.06Å; C51-E54 PolarHBondContact O-N 3.12Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 2.67Å |
| 55 | N | 94.4 | Very high | 94.5 | Very high | 35 Ų | 35 | 81.3 Ų | 81.3 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 25.8 | -173.4 | -69 | -82.9 | 0 | 0 | 0 | 113.4 | C51 L52 Y57 D58 R61 | C51-N55 WeakPolarHBondContact O-CB 3.37Å; C51-N55 PolarHBondContact O-N 3.37Å; C51-N55 PolarHBondContact O-ND2 2.82Å; L52-N55 PolarHBondContact O-N 2.88Å; N55-Y57 PolarHBondContact O-N 3.12Å; N55-Y57 VanDerWaalsContact O-N 3.16Å; N55-D58 HydrophobicContact CB-CB 4.43Å; N55-D58 VanDerWaalsContact O-CB 3.28Å; N55-D58 WeakPolarHBondContact O-CB 2.99Å; N55-D58 PolarHBondContact O-N 3.27Å; N55-R61 HydrophobicContact CB-CB 4.32Å; N55-R61 VanDerWaalsContact OD1-CD 3.3Å; N55-R61 WeakPolarHBondContact OD1-CD 3.25Å; N55-R61 PolarHBondContact OD1-NH1 2.9Å |
| 56 | N | 94.2 | Very high | 94.6 | Very high | 152 Ų | 152 | 82.8 Ų | 82.8 | 81% | 0.813 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 36.6 | -178.8 | -56.8 | -54.5 | 0 | 0 | 0 | 112.7 | L52 D58 | L52-N56 PolarHBondContact O-N 3.33Å; N56-D58 PolarHBondContact O-N 3.45Å |
| 57 | Y | 91.6 | Very high | 94.7 | Very high | 152 Ų | 152 | 85 Ų | 85 | 60% | 0.596 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 20.9 | -178.5 | -67.8 | -108.3 | 0 | 0 | 0 | 114.9 | L52 D53 N55 K59 | L52-Y57 HydrophobicContact CB-CD1 4.16Å; L52-Y57 HydrophobicContact CB-CE1 4.42Å; L52-Y57 HydrophobicContact CB-CG 4.4Å; L52-Y57 WeakPolarHBondContact O-CA 3.38Å; L52-Y57 PolarHBondContact O-N 3.38Å; D53-Y57 PolarHBondContact OD1-OH 2.98Å; N55-Y57 PolarHBondContact O-N 3.12Å; N55-Y57 VanDerWaalsContact O-N 3.16Å; Y57-K59 PolarHBondContact O-N 3.38Å; Y57-K59 VanDerWaalsContact O-N 3.15Å |
| 58 | D | 93.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 87.7 Ų | 87.7 | 36% | 0.358 | 42% | 0.416 | S | S | . | . | trans | -69.3 | 106.9 | 169.6 | -174.9 | -7.3 | 0 | 0 | 0 | 110.7 | N55 N56 E60 R61 | N55-D58 HydrophobicContact CB-CB 4.43Å; N55-D58 VanDerWaalsContact O-CB 3.28Å; N55-D58 WeakPolarHBondContact O-CB 2.99Å; N55-D58 PolarHBondContact O-N 3.27Å; N56-D58 PolarHBondContact O-N 3.45Å; D58-E60 VanDerWaalsContact C-N 3.33Å; D58-E60 PolarHBondContact O-N 2.03Å; D58-E60 PolarHBondContact OD1-N 2.84Å; D58-R61 HydrophobicContact CB-CG 4.4Å; D58-R61 WeakPolarHBondContact OD2-CG 3.01Å; D58-R61 IonicContact OD2-NE 3.77Å | ||
| 59 | K | 91.9 | Very high | 94.8 | Very high | 140 Ų | 140 | 90.1 Ų | 90.1 | 61% | 0.609 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -29.5 | -176.1 | -65.9 | 178.9 | -176.6 | 174.7 | 0 | 113 | L52 Y57 R61 C62 S63 F66 | L52-K59 HydrophobicContact CD2-CG 4.09Å; Y57-K59 PolarHBondContact O-N 3.38Å; Y57-K59 VanDerWaalsContact O-N 3.15Å; K59-R61 VanDerWaalsContact C-N 3.29Å; K59-R61 PolarHBondContact O-N 3.43Å; K59-C62 CarbonylContact O-C 3.53Å; K59-C62 PolarHBondContact O-N 3.21Å; K59-C62 VanDerWaalsContact O-N 3.08Å; K59-S63 PolarHBondContact O-N 3.4Å; K59-F66 HydrophobicContact CB-CE2 4.08Å; K59-F66 HydrophobicContact CG-CE2 4.34Å |
| 60 | E | 94.6 | Very high | 94.8 | Very high | 150 Ų | 150 | 93.7 Ų | 93.7 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -66.9 | -38.6 | -175.3 | -64.5 | -54.7 | 129.5 | 0 | 0 | 110.4 | D58 C62 S63 | D58-E60 VanDerWaalsContact C-N 3.33Å; D58-E60 PolarHBondContact O-N 2.03Å; D58-E60 PolarHBondContact OD1-N 2.84Å; E60-C62 PolarHBondContact O-N 3.45Å; E60-S63 WeakPolarHBondContact O-CB 3.35Å; E60-S63 PolarHBondContact O-N 3.06Å; E60-S63 PolarHBondContact O-OG 3.27Å |
| 61 | R | 94.3 | Very high | 94.9 | Very high | 172 Ų | 172 | 88.6 Ų | 88.6 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -63.9 | -22.6 | 173.9 | -69.7 | -172.9 | 157.6 | -159.2 | -4.5 | 113.9 | N55 D58 K59 | N55-R61 HydrophobicContact CB-CB 4.32Å; N55-R61 VanDerWaalsContact OD1-CD 3.3Å; N55-R61 WeakPolarHBondContact OD1-CD 3.25Å; N55-R61 PolarHBondContact OD1-NH1 2.9Å; D58-R61 HydrophobicContact CB-CG 4.4Å; D58-R61 WeakPolarHBondContact OD2-CG 3.01Å; D58-R61 IonicContact OD2-NE 3.77Å; K59-R61 VanDerWaalsContact C-N 3.29Å; K59-R61 PolarHBondContact O-N 3.43Å |
| 62 | C | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 88.3 Ų | 88.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -106 | 8.8 | -177.1 | -57.1 | 0 | 0 | 0 | 0 | 113.8 | C51 K59 E60 T64 Y65 F66 | C51-C62 HydrophobicContact CB-CB 3.85Å; C51-C62 WeakPolarHBondContact CB-SG 3.35Å; C51-C62 PolarHBondContact O-SG 2.96Å; C51-C62 VanDerWaalsContact O-SG 3.41Å; C51-C62 WeakPolarHBondContact SG-CA 3.47Å; C51-C62 WeakPolarHBondContact SG-CB 3.46Å; C51-C62 CovalentContact SG-SG 2.03Å; C51-C62 PolarHBondContact SG-SG 3.23Å; K59-C62 CarbonylContact O-C 3.53Å; K59-C62 PolarHBondContact O-N 3.21Å; K59-C62 VanDerWaalsContact O-N 3.08Å; E60-C62 PolarHBondContact O-N 3.45Å; C62-T64 VanDerWaalsContact C-N 3.26Å; C62-T64 PolarHBondContact O-N 3.1Å; C62-T64 VanDerWaalsContact O-N 3.17Å; C62-Y65 HydrophobicContact CB-CD2 4.34Å; C62-Y65 PolarHBondContact O-N 3.36Å; C62-F66 HydrophobicContact CB-CD2 4.35Å; C62-F66 HydrophobicContact CB-CE2 3.79Å; C62-F66 HydrophobicContact CB-CZ 4.16Å; C62-F66 WeakPolarHBondContact O-CD2 3.14Å; C62-F66 PolarHBondContact O-N 3.48Å |
| 63 | S | 95.1 | Very high | 94.8 | Very high | 63 Ų | 63 | 94.2 Ų | 94.2 | 44% | 0.441 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -51.5 | -40 | -176.8 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | K59 E60 Y65 F66 L67 | K59-S63 PolarHBondContact O-N 3.4Å; E60-S63 WeakPolarHBondContact O-CB 3.35Å; E60-S63 PolarHBondContact O-N 3.06Å; E60-S63 PolarHBondContact O-OG 3.27Å; S63-Y65 PolarHBondContact O-N 2.98Å; S63-F66 PolarHBondContact O-N 3.36Å; S63-L67 PolarHBondContact O-N 3.4Å |
| 64 | T | 95.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 53% | 0.534 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.7 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | C62 L67 K68 | C62-T64 VanDerWaalsContact C-N 3.26Å; C62-T64 PolarHBondContact O-N 3.1Å; C62-T64 VanDerWaalsContact O-N 3.17Å; T64-L67 WeakPolarHBondContact O-CB 3.48Å; T64-L67 PolarHBondContact O-N 3.09Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 2.77Å |
| 65 | Y | 95.1 | Very high | 94.7 | Very high | 92 Ų | 92 | 93.1 Ų | 93.1 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 177.9 | -62.8 | -76.4 | 0 | 0 | 0 | 111.4 | A47 C51 C62 S63 L67 K68 Y69 | A47-Y65 HydrophobicContact CB-CD1 3.66Å; A47-Y65 HydrophobicContact CB-CE1 4.01Å; C51-Y65 HydrophobicContact CB-CD2 3.6Å; C51-Y65 HydrophobicContact CB-CE2 3.7Å; C51-Y65 HydrophobicContact CB-CG 4.33Å; C51-Y65 VanDerWaalsContact SG-CD2 3.57Å; C51-Y65 VanDerWaalsContact SG-CE2 3.6Å; C62-Y65 HydrophobicContact CB-CD2 4.34Å; C62-Y65 PolarHBondContact O-N 3.36Å; S63-Y65 PolarHBondContact O-N 2.98Å; Y65-L67 VanDerWaalsContact C-N 3.32Å; Y65-L67 PolarHBondContact O-N 2.92Å; Y65-K68 PolarHBondContact O-N 3.37Å; Y65-Y69 PolarHBondContact O-N 3.03Å |
| 66 | F | 94.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 91.6 Ų | 91.6 | 24% | 0.237 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 173.8 | -62 | -47 | 0 | 0 | 0 | 112.6 | L52 K59 C62 S63 Y69 K70 | L52-F66 HydrophobicContact CD1-CE1 4.38Å; L52-F66 HydrophobicContact CD1-CZ 3.95Å; L52-F66 HydrophobicContact CD2-CZ 4.02Å; L52-F66 HydrophobicContact CG-CZ 4.05Å; K59-F66 HydrophobicContact CB-CE2 4.08Å; K59-F66 HydrophobicContact CG-CE2 4.34Å; C62-F66 HydrophobicContact CB-CD2 4.35Å; C62-F66 HydrophobicContact CB-CE2 3.79Å; C62-F66 HydrophobicContact CB-CZ 4.16Å; C62-F66 WeakPolarHBondContact O-CD2 3.14Å; C62-F66 PolarHBondContact O-N 3.48Å; S63-F66 PolarHBondContact O-N 3.36Å; F66-Y69 PolarHBondContact O-N 3.49Å; F66-K70 WeakPolarHBondContact O-CB 3.42Å; F66-K70 VanDerWaalsContact O-CG 3.28Å; F66-K70 WeakPolarHBondContact O-CG 3.12Å; F66-K70 PolarHBondContact O-N 3.4Å |
| 67 | L | 95.8 | Very high | 94.7 | Very high | 98 Ų | 98 | 89.2 Ų | 89.2 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.1 | -177.9 | 60.1 | 0 | 0 | 0 | 110.9 | S63 T64 Y65 Y69 K70 N71 | S63-L67 PolarHBondContact O-N 3.4Å; T64-L67 WeakPolarHBondContact O-CB 3.48Å; T64-L67 PolarHBondContact O-N 3.09Å; Y65-L67 VanDerWaalsContact C-N 3.32Å; Y65-L67 PolarHBondContact O-N 2.92Å; L67-Y69 PolarHBondContact O-N 2.95Å; L67-K70 PolarHBondContact O-N 2.96Å; L67-N71 WeakPolarHBondContact O-CB 3.46Å; L67-N71 PolarHBondContact O-N 3.46Å; L67-N71 PolarHBondContact O-ND2 2.74Å |
| 68 | K | 95.3 | Very high | 94.9 | Very high | 84 Ų | 84 | 84.7 Ų | 84.7 | 37% | 0.365 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 174.6 | -69.5 | -176.8 | 174.7 | -172.3 | 0 | 112.2 | E44 T64 Y65 K70 N71 C72 | E44-K68 HydrophobicContact CG-CB 4.33Å; E44-K68 VanDerWaalsContact OE2-CB 3.3Å; E44-K68 WeakPolarHBondContact OE2-CB 3.44Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 2.77Å; Y65-K68 PolarHBondContact O-N 3.37Å; K68-K70 PolarHBondContact O-N 2.67Å; K68-N71 PolarHBondContact O-N 3.44Å; K68-C72 WeakPolarHBondContact O-CB 3.34Å; K68-C72 PolarHBondContact O-N 3.47Å |
| 69 | Y | 94.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 82.9 Ų | 82.9 | 24% | 0.239 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 175.6 | 176.7 | -106.6 | 0 | 0 | 0 | 112.6 | C41 E44 S45 Y65 F66 L67 C72 R73 | C41-Y69 HydrophobicContact CB-CD2 3.75Å; C41-Y69 HydrophobicContact CB-CE2 3.73Å; E44-Y69 HydrophobicContact CB-CD2 4.19Å; S45-Y69 WeakPolarHBondContact OG-CD2 3.44Å; S45-Y69 WeakPolarHBondContact OG-CE2 3.38Å; Y65-Y69 PolarHBondContact O-N 3.03Å; F66-Y69 PolarHBondContact O-N 3.49Å; L67-Y69 PolarHBondContact O-N 2.95Å; Y69-C72 PolarHBondContact O-N 2.91Å; Y69-R73 HydrophobicContact CE1-CG 4.34Å; Y69-R73 HydrophobicContact CE2-CG 4.17Å; Y69-R73 PolarHBondContact O-N 3.32Å |
| 70 | K | 95.1 | Very high | 95 | Very high | 140 Ų | 140 | 78.1 Ų | 78.1 | 61% | 0.609 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 176.2 | -75.3 | 173.2 | -177.8 | 178.5 | 0 | 111.7 | F66 L67 K68 R73 K74 | F66-K70 WeakPolarHBondContact O-CB 3.42Å; F66-K70 VanDerWaalsContact O-CG 3.28Å; F66-K70 WeakPolarHBondContact O-CG 3.12Å; F66-K70 PolarHBondContact O-N 3.4Å; L67-K70 PolarHBondContact O-N 2.96Å; K68-K70 PolarHBondContact O-N 2.67Å; K70-R73 PolarHBondContact O-N 3.24Å; K70-K74 WeakPolarHBondContact O-CB 3.49Å; K70-K74 PolarHBondContact O-N 2.86Å |
| 71 | N | 96.3 | Very high | 95 | Very high | 58 Ų | 58 | 73.6 Ų | 73.6 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 178.1 | -69.4 | -15.5 | 0 | 0 | 0 | 111 | L67 K68 R73 K74 F75 Y110 | L67-N71 WeakPolarHBondContact O-CB 3.46Å; L67-N71 PolarHBondContact O-N 3.46Å; L67-N71 PolarHBondContact O-ND2 2.74Å; K68-N71 PolarHBondContact O-N 3.44Å; N71-R73 PolarHBondContact O-N 3.48Å; N71-K74 PolarHBondContact O-N 2.94Å; N71-F75 WeakPolarHBondContact O-CB 3.48Å; N71-F75 PolarHBondContact O-N 3.43Å; N71-Y110 VanDerWaalsContact CB-CB 3.44Å |
| 72 | C | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.5 | -51.6 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | C41 E44 K68 Y69 K74 F75 W76 Y110 | C41-C72 WeakPolarHBondContact CA-SG 3.43Å; C41-C72 HydrophobicContact CB-CB 3.87Å; C41-C72 WeakPolarHBondContact CB-SG 3.39Å; C41-C72 WeakPolarHBondContact SG-CB 3.45Å; C41-C72 CovalentContact SG-SG 2.03Å; C41-C72 PolarHBondContact SG-SG 2.86Å; E44-C72 HydrophobicContact CG-CB 4.24Å; K68-C72 WeakPolarHBondContact O-CB 3.34Å; K68-C72 PolarHBondContact O-N 3.47Å; Y69-C72 PolarHBondContact O-N 2.91Å; C72-K74 VanDerWaalsContact C-N 3.32Å; C72-K74 PolarHBondContact O-N 2.71Å; C72-F75 PolarHBondContact O-N 2.93Å; C72-W76 PolarHBondContact O-N 3.46Å; C72-W76 VanDerWaalsContact SG-CD1 3.59Å; C72-Y110 VanDerWaalsContact CA-CD1 3.48Å; C72-Y110 HydrophobicContact CB-CD1 3.83Å; C72-Y110 HydrophobicContact CB-CD2 3.59Å; C72-Y110 HydrophobicContact CB-CE1 4Å; C72-Y110 HydrophobicContact CB-CE2 3.71Å; C72-Y110 HydrophobicContact CB-CG 3.63Å; C72-Y110 VanDerWaalsContact SG-CZ 3.57Å |
| 73 | R | 94.4 | Very high | 94.9 | Very high | 150 Ų | 150 | 71.9 Ų | 71.9 | 57% | 0.566 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 178.7 | -69.3 | -143.8 | -55.9 | 171.2 | 3.3 | 112.3 | C41 Y69 K70 N71 F75 H77 | C41-R73 PolarHBondContact SG-N 3.08Å; C41-R73 VanDerWaalsContact SG-N 3.38Å; Y69-R73 HydrophobicContact CE1-CG 4.34Å; Y69-R73 HydrophobicContact CE2-CG 4.17Å; Y69-R73 PolarHBondContact O-N 3.32Å; K70-R73 PolarHBondContact O-N 3.24Å; N71-R73 PolarHBondContact O-N 3.48Å; R73-F75 VanDerWaalsContact C-N 3.35Å; R73-H77 WeakPolarHBondContact O-CB 3.12Å; R73-H77 PolarHBondContact O-N 3.45Å |
| 74 | K | 95.6 | Very high | 94.9 | Very high | 161 Ų | 161 | 76.3 Ų | 76.3 | 70% | 0.7 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 179 | -172.6 | 178.4 | 179.9 | -177.4 | 0 | 111.3 | K70 N71 C72 S78 | K70-K74 WeakPolarHBondContact O-CB 3.49Å; K70-K74 PolarHBondContact O-N 2.86Å; N71-K74 PolarHBondContact O-N 2.94Å; C72-K74 VanDerWaalsContact C-N 3.32Å; C72-K74 PolarHBondContact O-N 2.71Å; K74-S78 PolarHBondContact O-N 3.13Å; K74-S78 VanDerWaalsContact O-N 3.1Å |
| 75 | F | 95.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 81.2 Ų | 81.2 | 17% | 0.171 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -56.1 | 177.5 | 174.4 | -101.4 | 0 | 0 | 0 | 111.5 | N71 C72 R73 H77 S78 I79 I101 M105 P109 Y110 | N71-F75 WeakPolarHBondContact O-CB 3.48Å; N71-F75 PolarHBondContact O-N 3.43Å; C72-F75 PolarHBondContact O-N 2.93Å; R73-F75 VanDerWaalsContact C-N 3.35Å; F75-H77 VanDerWaalsContact C-N 3.29Å; F75-H77 PolarHBondContact O-N 3.37Å; F75-S78 WeakPolarHBondContact O-CB 3.43Å; F75-S78 PolarHBondContact O-N 3.47Å; F75-S78 PolarHBondContact O-OG 2.98Å; F75-I79 HydrophobicContact CD1-CD1 4.29Å; F75-I79 HydrophobicContact CE1-CD1 3.43Å; F75-I79 VanDerWaalsContact CE1-CD1 3.43Å; F75-I79 HydrophobicContact CE2-CD1 4.12Å; F75-I79 HydrophobicContact CZ-CD1 3.3Å; F75-I79 HydrophobicContact CZ-CG1 4.28Å; F75-I79 PolarHBondContact O-N 3.45Å; F75-I101 HydrophobicContact CE1-CG2 4.41Å; F75-I101 HydrophobicContact CZ-CG2 4.12Å; F75-M105 HydrophobicContact CE1-CE 3.85Å; F75-M105 HydrophobicContact CE2-CE 3.85Å; F75-M105 HydrophobicContact CE2-SD 3.67Å; F75-M105 HydrophobicContact CZ-CE 3.15Å; F75-M105 HydrophobicContact CZ-SD 3.64Å; F75-P109 HydrophobicContact CD1-CB 4.46Å; F75-P109 HydrophobicContact CD1-CG 3.76Å; F75-P109 HydrophobicContact CD2-CB 3.74Å; F75-P109 HydrophobicContact CD2-CG 3.92Å; F75-P109 HydrophobicContact CE1-CG 3.79Å; F75-P109 HydrophobicContact CE2-CB 3.93Å; F75-P109 HydrophobicContact CE2-CG 3.97Å; F75-P109 HydrophobicContact CG-CB 4.05Å; F75-P109 HydrophobicContact CG-CG 3.84Å; F75-P109 HydrophobicContact CZ-CB 4.39Å; F75-P109 HydrophobicContact CZ-CG 3.92Å; F75-Y110 HydrophobicContact CB-CD1 4.35Å; F75-Y110 HydrophobicContact CD1-CD1 4.46Å; F75-Y110 HydrophobicContact CD1-CE1 4.26Å |
| 76 | W | 94.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 81.6 Ų | 81.6 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.4 | -30.3 | -178.1 | -69.1 | 109.6 | 0 | 0 | 0 | 113.3 | P40 C72 S78 I79 M80 M92 P93 R98 I101 L102 Y110 | P40-W76 HydrophobicContact CB-CB 4.31Å; P40-W76 HydrophobicContact CB-CD2 3.82Å; P40-W76 HydrophobicContact CB-CG 3.57Å; P40-W76 HydrophobicContact CG-CB 3.71Å; P40-W76 VanDerWaalsContact CG-CD1 3.45Å; P40-W76 HydrophobicContact CG-CD2 4.22Å; P40-W76 HydrophobicContact CG-CG 3.49Å; P40-W76 VanDerWaalsContact CG-CG 3.49Å; C72-W76 PolarHBondContact O-N 3.46Å; C72-W76 VanDerWaalsContact SG-CD1 3.59Å; W76-S78 VanDerWaalsContact C-N 3.31Å; W76-S78 PolarHBondContact O-N 3.02Å; W76-I79 HydrophobicContact CE3-CD1 3.71Å; W76-I79 HydrophobicContact CZ3-CD1 3.64Å; W76-I79 PolarHBondContact O-N 3.33Å; W76-M80 WeakPolarHBondContact O-CB 3.41Å; W76-M80 PolarHBondContact O-N 3.17Å; W76-M92 HydrophobicContact CB-CE 4.41Å; W76-P93 HydrophobicContact CE3-CG 4.22Å; W76-P93 HydrophobicContact CZ3-CG 4.08Å; W76-R98 HydrophobicContact CE3-CG 4.29Å; W76-R98 HydrophobicContact CH2-CB 3.46Å; W76-R98 VanDerWaalsContact CH2-CB 3.46Å; W76-R98 HydrophobicContact CH2-CG 3.42Å; W76-R98 VanDerWaalsContact CH2-CG 3.42Å; W76-R98 HydrophobicContact CZ2-CB 3.99Å; W76-R98 HydrophobicContact CZ2-CG 4.01Å; W76-R98 HydrophobicContact CZ3-CB 4.11Å; W76-R98 HydrophobicContact CZ3-CG 3.58Å; W76-I101 HydrophobicContact CH2-CB 4.39Å; W76-I101 HydrophobicContact CH2-CG2 4.1Å; W76-I101 HydrophobicContact CZ3-CD1 4.14Å; W76-I101 HydrophobicContact CZ3-CG2 4.22Å; W76-L102 HydrophobicContact CH2-CG 4.39Å; W76-L102 HydrophobicContact CZ2-CD1 4.28Å; W76-L102 HydrophobicContact CZ2-CD2 4.21Å; W76-L102 HydrophobicContact CZ2-CG 4.17Å; W76-Y110 AromaticContact NE1-CE1 3.73Å |
| 77 | H | 94.1 | Very high | 94.8 | Very high | 102 Ų | 102 | 81.8 Ų | 81.8 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 171.8 | -170 | 63.6 | 0 | 0 | 0 | 112 | R73 F75 M80 I81 | R73-H77 WeakPolarHBondContact O-CB 3.12Å; R73-H77 PolarHBondContact O-N 3.45Å; F75-H77 VanDerWaalsContact C-N 3.29Å; F75-H77 PolarHBondContact O-N 3.37Å; H77-M80 WeakPolarHBondContact O-CB 3.47Å; H77-M80 PolarHBondContact O-N 3.49Å; H77-I81 WeakPolarHBondContact O-CG1 3.28Å; H77-I81 PolarHBondContact O-N 3.2Å |
| 78 | S | 94.9 | Very high | 94.6 | Very high | 57 Ų | 57 | 80 Ų | 80 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 175.7 | 79.4 | 0 | 0 | 0 | 0 | 111.7 | K74 F75 W76 M80 I81 Q82 | K74-S78 PolarHBondContact O-N 3.13Å; K74-S78 VanDerWaalsContact O-N 3.1Å; F75-S78 WeakPolarHBondContact O-CB 3.43Å; F75-S78 PolarHBondContact O-N 3.47Å; F75-S78 PolarHBondContact O-OG 2.98Å; W76-S78 VanDerWaalsContact C-N 3.31Å; W76-S78 PolarHBondContact O-N 3.02Å; S78-M80 VanDerWaalsContact C-N 3.35Å; S78-M80 PolarHBondContact O-N 2.99Å; S78-I81 PolarHBondContact O-N 3.25Å; S78-Q82 WeakPolarHBondContact O-CG 3.46Å; S78-Q82 PolarHBondContact O-N 2.92Å |
| 79 | I | 93.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 85 Ų | 85 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.1 | -68.4 | 170.9 | 0 | 0 | 0 | 110.7 | F75 W76 I81 Q82 R83 P93 I101 | F75-I79 HydrophobicContact CD1-CD1 4.29Å; F75-I79 HydrophobicContact CE1-CD1 3.43Å; F75-I79 VanDerWaalsContact CE1-CD1 3.43Å; F75-I79 HydrophobicContact CE2-CD1 4.12Å; F75-I79 HydrophobicContact CZ-CD1 3.3Å; F75-I79 HydrophobicContact CZ-CG1 4.28Å; F75-I79 PolarHBondContact O-N 3.45Å; W76-I79 HydrophobicContact CE3-CD1 3.71Å; W76-I79 HydrophobicContact CZ3-CD1 3.64Å; W76-I79 PolarHBondContact O-N 3.33Å; I79-I81 VanDerWaalsContact C-N 3.29Å; I79-I81 PolarHBondContact O-N 2.94Å; I79-Q82 PolarHBondContact O-N 3.44Å; I79-Q82 VanDerWaalsContact O-N 3.12Å; I79-R83 HydrophobicContact CG2-CG 4.23Å; I79-R83 WeakPolarHBondContact O-CG 3.23Å; I79-R83 PolarHBondContact O-N 3.46Å; I79-P93 HydrophobicContact CG2-CG 3.64Å; I79-I101 HydrophobicContact CD1-CD1 4.31Å; I79-I101 HydrophobicContact CD1-CG2 3.81Å; I79-I101 HydrophobicContact CG2-CD1 4.48Å |
| 80 | M | 94 | Very high | 94.1 | Very high | 40 Ų | 40 | 85.6 Ų | 85.6 | 20% | 0.197 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 177.7 | -172.5 | -153.7 | -64.3 | 0 | 0 | 111.7 | W76 H77 S78 R84 C91 M92 | W76-M80 WeakPolarHBondContact O-CB 3.41Å; W76-M80 PolarHBondContact O-N 3.17Å; H77-M80 WeakPolarHBondContact O-CB 3.47Å; H77-M80 PolarHBondContact O-N 3.49Å; S78-M80 VanDerWaalsContact C-N 3.35Å; S78-M80 PolarHBondContact O-N 2.99Å; M80-R84 VanDerWaalsContact O-CB 3.3Å; M80-R84 WeakPolarHBondContact O-CB 3.44Å; M80-R84 PolarHBondContact O-N 2.88Å; M80-C91 WeakPolarHBondContact CA-O 3.47Å; M80-C91 HydrophobicContact CG-CB 4.02Å; M80-M92 HydrophobicContact CB-SD 4.03Å; M80-M92 HydrophobicContact CE-CG 3.76Å; M80-M92 HydrophobicContact CE-SD 3.25Å; M80-M92 WeakPolarHBondContact CE-SD 3.39Å; M80-M92 HydrophobicContact CG-CG 4.44Å; M80-M92 HydrophobicContact CG-SD 4.08Å; M80-M92 HydrophobicContact SD-SD 4.49Å |
| 81 | I | 95.1 | Very high | 93.8 | Very high | 56 Ų | 56 | 80.8 Ų | 80.8 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.7 | -69.5 | 165.6 | 0 | 0 | 0 | 110.6 | H77 S78 I79 R84 R85 | H77-I81 WeakPolarHBondContact O-CG1 3.28Å; H77-I81 PolarHBondContact O-N 3.2Å; S78-I81 PolarHBondContact O-N 3.25Å; I79-I81 VanDerWaalsContact C-N 3.29Å; I79-I81 PolarHBondContact O-N 2.94Å; I81-R84 PolarHBondContact O-N 2.83Å; I81-R85 WeakPolarHBondContact O-CG 3.19Å; I81-R85 PolarHBondContact O-N 3.38Å |
| 82 | Q | 94.4 | Very high | 93.5 | Very high | 107 Ų | 107 | 79.9 Ų | 79.9 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 178.4 | -64.9 | -60 | -17.4 | 0 | 0 | 112.2 | S78 I79 R84 R85 T86 | S78-Q82 WeakPolarHBondContact O-CG 3.46Å; S78-Q82 PolarHBondContact O-N 2.92Å; I79-Q82 PolarHBondContact O-N 3.44Å; I79-Q82 VanDerWaalsContact O-N 3.12Å; Q82-R84 VanDerWaalsContact C-N 3.31Å; Q82-R84 PolarHBondContact O-N 2.65Å; Q82-R85 PolarHBondContact O-N 3.24Å; Q82-T86 PolarHBondContact O-N 3.5Å; Q82-T86 PolarHBondContact O-OG1 2.93Å |
| 83 | R | 94.6 | Very high | 93.3 | Very high | 28 Ų | 28 | 79.9 Ų | 79.9 | 11% | 0.106 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 175.1 | -72.3 | 175.7 | 73.6 | 116.9 | -4.2 | 111.7 | I79 T86 G87 V88 P90 C91 E97 | I79-R83 HydrophobicContact CG2-CG 4.23Å; I79-R83 WeakPolarHBondContact O-CG 3.23Å; I79-R83 PolarHBondContact O-N 3.46Å; R83-T86 WeakPolarHBondContact CA-OG1 3.49Å; R83-T86 PolarHBondContact O-N 3.17Å; R83-T86 PolarHBondContact O-OG1 3.13Å; R83-T86 VanDerWaalsContact O-OG1 3.07Å; R83-G87 PolarHBondContact O-N 3.4Å; R83-G87 VanDerWaalsContact O-N 3.09Å; R83-V88 HydrophobicContact CB-CB 4.2Å; R83-V88 HydrophobicContact CG-CB 4.43Å; R83-V88 PolarHBondContact O-N 3.03Å; R83-P90 PolarHBondContact NE-O 3.36Å; R83-P90 VanDerWaalsContact NE-O 3.11Å; R83-P90 PolarHBondContact NH2-O 2.76Å; R83-P90 VanDerWaalsContact NH2-O 3.08Å; R83-C91 WeakPolarHBondContact CD-O 3.48Å; R83-E97 IonicContact CZ-OE1 2.8Å; R83-E97 VanDerWaalsContact CZ-OE1 3.25Å; R83-E97 IonicContact CZ-OE2 3.19Å; R83-E97 VanDerWaalsContact NH1-CD 3.32Å; R83-E97 IonicContact NH1-OE1 3.83Å; R83-E97 PolarHBondContact NH1-OE1 3.08Å; R83-E97 IonicContact NH1-OE2 3.25Å; R83-E97 IonicContact NH2-OE1 2.76Å; R83-E97 PolarHBondContact NH2-OE1 3.25Å; R83-E97 IonicContact NH2-OE2 3.55Å; R83-E97 PolarHBondContact NH2-OE2 3.17Å |
| 84 | R | 94.3 | Very high | 93.1 | Very high | 157 Ų | 157 | 75.1 Ų | 75.1 | 59% | 0.592 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 175.4 | -174.4 | 179.1 | -66 | 175.9 | 0.6 | 112.2 | M80 I81 Q82 T86 G87 | M80-R84 VanDerWaalsContact O-CB 3.3Å; M80-R84 WeakPolarHBondContact O-CB 3.44Å; M80-R84 PolarHBondContact O-N 2.88Å; I81-R84 PolarHBondContact O-N 2.83Å; Q82-R84 VanDerWaalsContact C-N 3.31Å; Q82-R84 PolarHBondContact O-N 2.65Å; R84-T86 VanDerWaalsContact C-N 3.32Å; R84-G87 PolarHBondContact O-N 3.41Å |
| 85 | R | 94.9 | Very high | 92.8 | Very high | 190 Ų | 190 | 69 Ų | 69 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.7 | -34.9 | 178.4 | -74.9 | 174.4 | 176.3 | -178.9 | -1.9 | 112.8 | I81 Q82 G87 | I81-R85 WeakPolarHBondContact O-CG 3.19Å; I81-R85 PolarHBondContact O-N 3.38Å; Q82-R85 PolarHBondContact O-N 3.24Å; R85-G87 VanDerWaalsContact C-N 3.33Å |
| 86 | T | 94.8 | Very high | 92.5 | Very high | 99 Ų | 99 | 70.6 Ų | 70.6 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.5 | 179.4 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | Q82 R83 R84 V88 | Q82-T86 PolarHBondContact O-N 3.5Å; Q82-T86 PolarHBondContact O-OG1 2.93Å; R83-T86 WeakPolarHBondContact CA-OG1 3.49Å; R83-T86 PolarHBondContact O-N 3.17Å; R83-T86 PolarHBondContact O-OG1 3.13Å; R83-T86 VanDerWaalsContact O-OG1 3.07Å; R84-T86 VanDerWaalsContact C-N 3.32Å; T86-V88 VanDerWaalsContact C-N 3.29Å; T86-V88 PolarHBondContact O-N 3.43Å |
| 87 | G | 93.4 | Very high | 92.4 | Very high | 59 Ų | 59 | 73.5 Ų | 73.5 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 11 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R83 R84 R85 | R83-G87 PolarHBondContact O-N 3.4Å; R83-G87 VanDerWaalsContact O-N 3.09Å; R84-G87 PolarHBondContact O-N 3.41Å; R85-G87 VanDerWaalsContact C-N 3.33Å |
| 88 | V | 92.1 | Very high | 92.3 | Very high | 61 Ų | 61 | 69.2 Ų | 69.2 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | trans | -73.5 | 126.5 | -179.9 | 179 | 0 | 0 | 0 | 0 | 110.3 | R83 T86 | R83-V88 HydrophobicContact CB-CB 4.2Å; R83-V88 HydrophobicContact CG-CB 4.43Å; R83-V88 PolarHBondContact O-N 3.03Å; T86-V88 VanDerWaalsContact C-N 3.29Å; T86-V88 PolarHBondContact O-N 3.43Å | ||
| 89 | K | 89.3 | Confident | 92.1 | Very high | 188 Ų | 188 | 70.9 Ų | 70.9 | 82% | 0.817 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -118.3 | 138 | 175.8 | -69.1 | -173.7 | -179.7 | 177.9 | 0 | 110.6 | ||
| 90 | P | 89.8 | Confident | 92.1 | Very high | 73 Ų | 73 | 73.5 Ų | 73.5 | 47% | 0.474 | 39% | 0.388 | S | S | . | . | S | Bend | cis | -68.1 | 152.4 | -2.8 | 27.8 | -33.9 | 0 | 0 | 0 | 113.3 | R83 M92 T94 | R83-P90 PolarHBondContact NE-O 3.36Å; R83-P90 VanDerWaalsContact NE-O 3.11Å; R83-P90 PolarHBondContact NH2-O 2.76Å; R83-P90 VanDerWaalsContact NH2-O 3.08Å; P90-M92 VanDerWaalsContact C-N 3.3Å; P90-M92 WeakPolarHBondContact CG-O 3.27Å; P90-M92 PolarHBondContact O-N 3.47Å; P90-T94 HydrophobicContact CG-CG2 4.23Å |
| 91 | C | 89.7 | Confident | 92 | Very high | 39 Ų | 39 | 73.3 Ų | 73.3 | 26% | 0.264 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -67.1 | -35.3 | -179.6 | -65 | 0 | 0 | 0 | 0 | 111.4 | M80 R83 | M80-C91 WeakPolarHBondContact CA-O 3.47Å; M80-C91 HydrophobicContact CG-CB 4.02Å; R83-C91 WeakPolarHBondContact CD-O 3.48Å |
| 92 | M | 88.9 | Confident | 91.8 | Very high | 39 Ų | 39 | 72.5 Ų | 72.5 | 19% | 0.192 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -83.3 | 131.2 | 167.6 | -84.3 | -56.9 | -62 | 0 | 0 | 109.1 | P40 W76 M80 P90 | P40-M92 HydrophobicContact CB-CE 4.47Å; P40-M92 HydrophobicContact CG-CE 3.82Å; W76-M92 HydrophobicContact CB-CE 4.41Å; M80-M92 HydrophobicContact CB-SD 4.03Å; M80-M92 HydrophobicContact CE-CG 3.76Å; M80-M92 HydrophobicContact CE-SD 3.25Å; M80-M92 WeakPolarHBondContact CE-SD 3.39Å; M80-M92 HydrophobicContact CG-CG 4.44Å; M80-M92 HydrophobicContact CG-SD 4.08Å; M80-M92 HydrophobicContact SD-SD 4.49Å; P90-M92 VanDerWaalsContact C-N 3.3Å; P90-M92 WeakPolarHBondContact CG-O 3.27Å; P90-M92 PolarHBondContact O-N 3.47Å |
| 93 | P | 91.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 141.8 | 171.6 | -17.1 | 28.7 | 0 | 0 | 0 | 110.8 | W76 I79 E97 R98 I101 | W76-P93 HydrophobicContact CE3-CG 4.22Å; W76-P93 HydrophobicContact CZ3-CG 4.08Å; I79-P93 HydrophobicContact CG2-CG 3.64Å; P93-E97 WeakPolarHBondContact CA-OE2 3.44Å; P93-E97 HydrophobicContact CB-CB 3.92Å; P93-R98 HydrophobicContact CB-CG 3.88Å; P93-R98 PolarHBondContact O-NE 3.22Å; P93-R98 PolarHBondContact O-NH2 3.15Å; P93-I101 HydrophobicContact CB-CD1 4.3Å; P93-I101 HydrophobicContact CG-CD1 4.2Å |
| 94 | T | 90.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 80.6 Ų | 80.6 | 31% | 0.313 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 163.1 | 170 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | P90 A96 E97 R98 | P90-T94 HydrophobicContact CG-CG2 4.23Å; T94-A96 VanDerWaalsContact C-N 3.28Å; T94-A96 PolarHBondContact O-N 2.95Å; T94-E97 PolarHBondContact N-OE2 3Å; T94-E97 PolarHBondContact O-N 2.03Å; T94-E97 VanDerWaalsContact O-N 3.14Å; T94-E97 WeakPolarHBondContact OG1-CG 3.45Å; T94-E97 PolarHBondContact OG1-OE2 2.98Å; T94-R98 VanDerWaalsContact O-CG 3.31Å; T94-R98 WeakPolarHBondContact O-CG 3.34Å; T94-R98 PolarHBondContact O-N 3.32Å |
| 95 | A | 88.9 | Confident | 91.2 | Very high | 33 Ų | 33 | 76.4 Ų | 76.4 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -51.8 | -44.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D37 E97 R98 D99 | D37-A95 WeakPolarHBondContact OD1-CB 3.33Å; D37-A95 PolarHBondContact OD1-N 3.21Å; A95-E97 PolarHBondContact O-N 2.78Å; A95-R98 WeakPolarHBondContact O-CB 3.03Å; A95-R98 PolarHBondContact O-N 2.98Å; A95-R98 VanDerWaalsContact O-N 3.16Å; A95-D99 PolarHBondContact O-N 2.71Å |
| 96 | A | 89.9 | Confident | 90.8 | Very high | 71 Ų | 71 | 70.8 Ų | 70.8 | 59% | 0.587 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T94 R98 D99 E100 | T94-A96 VanDerWaalsContact C-N 3.28Å; T94-A96 PolarHBondContact O-N 2.95Å; A96-R98 VanDerWaalsContact C-N 3.29Å; A96-R98 PolarHBondContact O-N 2.84Å; A96-D99 PolarHBondContact O-N 2.8Å; A96-E100 PolarHBondContact O-N 2.89Å |
| 97 | E | 91.9 | Very high | 90.5 | Very high | 65 Ų | 65 | 73.8 Ų | 73.8 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.6 | -33.3 | 176.1 | -68.6 | 170.7 | 111.6 | 0 | 0 | 111.7 | R83 P93 T94 A95 E100 I101 | R83-E97 IonicContact CZ-OE1 2.8Å; R83-E97 VanDerWaalsContact CZ-OE1 3.25Å; R83-E97 IonicContact CZ-OE2 3.19Å; R83-E97 VanDerWaalsContact NH1-CD 3.32Å; R83-E97 IonicContact NH1-OE1 3.83Å; R83-E97 PolarHBondContact NH1-OE1 3.08Å; R83-E97 IonicContact NH1-OE2 3.25Å; R83-E97 IonicContact NH2-OE1 2.76Å; R83-E97 PolarHBondContact NH2-OE1 3.25Å; R83-E97 IonicContact NH2-OE2 3.55Å; R83-E97 PolarHBondContact NH2-OE2 3.17Å; P93-E97 WeakPolarHBondContact CA-OE2 3.44Å; P93-E97 HydrophobicContact CB-CB 3.92Å; T94-E97 PolarHBondContact N-OE2 3Å; T94-E97 PolarHBondContact O-N 2.03Å; T94-E97 VanDerWaalsContact O-N 3.14Å; T94-E97 WeakPolarHBondContact OG1-CG 3.45Å; T94-E97 PolarHBondContact OG1-OE2 2.98Å; A95-E97 PolarHBondContact O-N 2.78Å; E97-E100 PolarHBondContact O-N 3.11Å; E97-I101 WeakPolarHBondContact O-CB 3.01Å; E97-I101 WeakPolarHBondContact O-CD1 3.36Å; E97-I101 WeakPolarHBondContact O-CG1 3.39Å; E97-I101 PolarHBondContact O-N 2.8Å |
| 98 | R | 91.9 | Very high | 90 | Very high | 12 Ų | 12 | 76 Ų | 76 | 5% | 0.045 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | 176.2 | -65 | -179.2 | -167.5 | 163.4 | 8.8 | 111.4 | P36 D37 P40 W76 P93 T94 A95 A96 E100 I101 L102 | P36-R98 PolarHBondContact O-NH1 2.87Å; D37-R98 PolarHBondContact O-NH2 2.88Å; P40-R98 VanDerWaalsContact CB-NH1 3.3Å; P40-R98 VanDerWaalsContact N-NH1 3.16Å; W76-R98 HydrophobicContact CE3-CG 4.29Å; W76-R98 HydrophobicContact CH2-CB 3.46Å; W76-R98 VanDerWaalsContact CH2-CB 3.46Å; W76-R98 HydrophobicContact CH2-CG 3.42Å; W76-R98 VanDerWaalsContact CH2-CG 3.42Å; W76-R98 HydrophobicContact CZ2-CB 3.99Å; W76-R98 HydrophobicContact CZ2-CG 4.01Å; W76-R98 HydrophobicContact CZ3-CB 4.11Å; W76-R98 HydrophobicContact CZ3-CG 3.58Å; P93-R98 HydrophobicContact CB-CG 3.88Å; P93-R98 PolarHBondContact O-NE 3.22Å; P93-R98 PolarHBondContact O-NH2 3.15Å; T94-R98 VanDerWaalsContact O-CG 3.31Å; T94-R98 WeakPolarHBondContact O-CG 3.34Å; T94-R98 PolarHBondContact O-N 3.32Å; A95-R98 WeakPolarHBondContact O-CB 3.03Å; A95-R98 PolarHBondContact O-N 2.98Å; A95-R98 VanDerWaalsContact O-N 3.16Å; A96-R98 VanDerWaalsContact C-N 3.29Å; A96-R98 PolarHBondContact O-N 2.84Å; R98-E100 VanDerWaalsContact C-N 3.28Å; R98-E100 PolarHBondContact O-N 2.81Å; R98-I101 PolarHBondContact O-N 3.47Å; R98-L102 WeakPolarHBondContact O-CB 3.28Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.46Å; R98-L102 PolarHBondContact O-N 3.31Å |
| 99 | D | 90.9 | Very high | 89.7 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 178.4 | -69.2 | -17.5 | 0 | 0 | 0 | 111.6 | A95 A96 R103 | A95-D99 PolarHBondContact O-N 2.71Å; A96-D99 PolarHBondContact O-N 2.8Å; D99-R103 WeakPolarHBondContact O-CB 3.4Å; D99-R103 WeakPolarHBondContact O-CG 3.3Å; D99-R103 PolarHBondContact O-N 3.01Å; D99-R103 PolarHBondContact O-NE 3.29Å |
| 100 | E | 93.4 | Very high | 89.6 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.9 | -52.7 | 170.8 | -167.3 | 61.5 | -126.5 | 0 | 0 | 111.6 | A96 E97 R98 L102 R103 E104 | A96-E100 PolarHBondContact O-N 2.89Å; E97-E100 PolarHBondContact O-N 3.11Å; R98-E100 VanDerWaalsContact C-N 3.28Å; R98-E100 PolarHBondContact O-N 2.81Å; E100-L102 PolarHBondContact O-N 2.76Å; E100-R103 PolarHBondContact O-N 3.21Å; E100-R103 IonicContact OE2-CZ 3.26Å; E100-R103 VanDerWaalsContact OE2-CZ 3.26Å; E100-R103 IonicContact OE2-NH1 3.68Å; E100-R103 IonicContact OE2-NH2 2.64Å; E100-R103 PolarHBondContact OE2-NH2 3.15Å; E100-E104 WeakPolarHBondContact O-CG 3.48Å; E100-E104 PolarHBondContact O-N 3.47Å |
| 101 | I | 91.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 19% | 0.185 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.4 | -40.9 | 179.7 | -71.8 | 164.5 | 0 | 0 | 0 | 111.6 | F75 W76 I79 P93 E97 R98 M105 | F75-I101 HydrophobicContact CE1-CG2 4.41Å; F75-I101 HydrophobicContact CZ-CG2 4.12Å; W76-I101 HydrophobicContact CH2-CB 4.39Å; W76-I101 HydrophobicContact CH2-CG2 4.1Å; W76-I101 HydrophobicContact CZ3-CD1 4.14Å; W76-I101 HydrophobicContact CZ3-CG2 4.22Å; I79-I101 HydrophobicContact CD1-CD1 4.31Å; I79-I101 HydrophobicContact CD1-CG2 3.81Å; I79-I101 HydrophobicContact CG2-CD1 4.48Å; P93-I101 HydrophobicContact CB-CD1 4.3Å; P93-I101 HydrophobicContact CG-CD1 4.2Å; E97-I101 WeakPolarHBondContact O-CB 3.01Å; E97-I101 WeakPolarHBondContact O-CD1 3.36Å; E97-I101 WeakPolarHBondContact O-CG1 3.39Å; E97-I101 PolarHBondContact O-N 2.8Å; R98-I101 PolarHBondContact O-N 3.47Å; I101-M105 HydrophobicContact CG2-CE 3.47Å; I101-M105 VanDerWaalsContact CG2-CE 3.47Å; I101-M105 WeakPolarHBondContact O-CE 3.4Å; I101-M105 PolarHBondContact O-N 2.68Å |
| 102 | L | 91.2 | Very high | 89.5 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 20% | 0.199 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.9 | -39.1 | 177.5 | -70.2 | 173.2 | 0 | 0 | 0 | 112.5 | W76 R98 E100 M105 G106 M108 P109 | W76-L102 HydrophobicContact CH2-CG 4.39Å; W76-L102 HydrophobicContact CZ2-CD1 4.28Å; W76-L102 HydrophobicContact CZ2-CD2 4.21Å; W76-L102 HydrophobicContact CZ2-CG 4.17Å; R98-L102 WeakPolarHBondContact O-CB 3.28Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.46Å; R98-L102 PolarHBondContact O-N 3.31Å; E100-L102 PolarHBondContact O-N 2.76Å; L102-M105 HydrophobicContact CD2-CE 4.16Å; L102-M105 PolarHBondContact O-N 3Å; L102-G106 PolarHBondContact O-N 3.16Å; L102-M108 HydrophobicContact CD2-SD 4.24Å; L102-P109 HydrophobicContact CD2-CG 4.12Å |
| 103 | R | 91.1 | Very high | 89.6 | Confident | 159 Ų | 159 | 71.6 Ų | 71.6 | 60% | 0.6 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 174.8 | -79.9 | 178.6 | -69.1 | 160.7 | 3.9 | 111.5 | D99 E100 M105 G106 | D99-R103 WeakPolarHBondContact O-CB 3.4Å; D99-R103 WeakPolarHBondContact O-CG 3.3Å; D99-R103 PolarHBondContact O-N 3.01Å; D99-R103 PolarHBondContact O-NE 3.29Å; E100-R103 PolarHBondContact O-N 3.21Å; E100-R103 IonicContact OE2-CZ 3.26Å; E100-R103 VanDerWaalsContact OE2-CZ 3.26Å; E100-R103 IonicContact OE2-NH1 3.68Å; E100-R103 IonicContact OE2-NH2 2.64Å; E100-R103 PolarHBondContact OE2-NH2 3.15Å; R103-M105 VanDerWaalsContact C-N 3.33Å; R103-M105 PolarHBondContact O-N 2.8Å; R103-G106 PolarHBondContact O-N 3.35Å |
| 104 | E | 92.8 | Very high | 89.5 | Confident | 146 Ų | 146 | 75.8 Ų | 75.8 | 68% | 0.682 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62 | -37.5 | 178.3 | -73 | -177.5 | 167.3 | 0 | 0 | 112.8 | E100 G106 | E100-E104 WeakPolarHBondContact O-CG 3.48Å; E100-E104 PolarHBondContact O-N 3.47Å; E104-G106 VanDerWaalsContact C-N 3.28Å; E104-G106 PolarHBondContact O-N 3.05Å |
| 105 | M | 88 | Confident | 89.4 | Confident | 69 Ų | 69 | 77.3 Ų | 77.3 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.7 | -20.8 | 178.4 | -82 | -176.6 | -80.1 | 0 | 0 | 113.8 | F75 I101 L102 R103 K107 P109 | F75-M105 HydrophobicContact CE1-CE 3.85Å; F75-M105 HydrophobicContact CE2-CE 3.85Å; F75-M105 HydrophobicContact CE2-SD 3.67Å; F75-M105 HydrophobicContact CZ-CE 3.15Å; F75-M105 HydrophobicContact CZ-SD 3.64Å; I101-M105 HydrophobicContact CG2-CE 3.47Å; I101-M105 VanDerWaalsContact CG2-CE 3.47Å; I101-M105 WeakPolarHBondContact O-CE 3.4Å; I101-M105 PolarHBondContact O-N 2.68Å; L102-M105 HydrophobicContact CD2-CE 4.16Å; L102-M105 PolarHBondContact O-N 3Å; R103-M105 VanDerWaalsContact C-N 3.33Å; R103-M105 PolarHBondContact O-N 2.8Å; M105-K107 PolarHBondContact O-N 3.45Å; M105-P109 HydrophobicContact CE-CG 4Å; M105-P109 HydrophobicContact SD-CB 3.98Å; M105-P109 HydrophobicContact SD-CG 4.04Å |
| 106 | G | 85.6 | Confident | 89.5 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 75% | 0.753 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 63.8 | -0.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L102 R103 E104 | L102-G106 PolarHBondContact O-N 3.16Å; R103-G106 PolarHBondContact O-N 3.35Å; E104-G106 VanDerWaalsContact C-N 3.28Å; E104-G106 PolarHBondContact O-N 3.05Å |
| 107 | K | 87.4 | Confident | 89.4 | Confident | 161 Ų | 161 | 80.9 Ų | 80.9 | 70% | 0.7 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -149.3 | 153.2 | 176.4 | 67 | -178.8 | 179.1 | -178.7 | 0 | 110.8 | M105 P109 | M105-K107 PolarHBondContact O-N 3.45Å; K107-P109 WeakPolarHBondContact O-CD 3.49Å |
| 108 | M | 84.6 | Confident | 89.2 | Confident | 107 Ų | 107 | 82.2 Ų | 82.2 | 53% | 0.527 | 41% | 0.414 | S | S | . | . | trans | -67.4 | 123.5 | 171.8 | -76.8 | -65.3 | -72.9 | 0 | 0 | 109.8 | L102 Y110 | L102-M108 HydrophobicContact CD2-SD 4.24Å; M108-Y110 HydrophobicContact CE-CD2 3.92Å; M108-Y110 HydrophobicContact CE-CE1 4.29Å; M108-Y110 HydrophobicContact CE-CE2 3.23Å; M108-Y110 VanDerWaalsContact CE-CZ 3.44Å; M108-Y110 PolarHBondContact O-N 3.3Å | ||
| 109 | P | 85.3 | Confident | 89 | Confident | 42 Ų | 42 | 88 Ų | 88 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | trans | -80 | 6.9 | -175.6 | 28.9 | -29.7 | 0 | 0 | 0 | 113.8 | F75 L102 M105 K107 | F75-P109 HydrophobicContact CD1-CB 4.46Å; F75-P109 HydrophobicContact CD1-CG 3.76Å; F75-P109 HydrophobicContact CD2-CB 3.74Å; F75-P109 HydrophobicContact CD2-CG 3.92Å; F75-P109 HydrophobicContact CE1-CG 3.79Å; F75-P109 HydrophobicContact CE2-CB 3.93Å; F75-P109 HydrophobicContact CE2-CG 3.97Å; F75-P109 HydrophobicContact CG-CB 4.05Å; F75-P109 HydrophobicContact CG-CG 3.84Å; F75-P109 HydrophobicContact CZ-CB 4.39Å; F75-P109 HydrophobicContact CZ-CG 3.92Å; L102-P109 HydrophobicContact CD2-CG 4.12Å; M105-P109 HydrophobicContact CE-CG 4Å; M105-P109 HydrophobicContact SD-CB 3.98Å; M105-P109 HydrophobicContact SD-CG 4.04Å; K107-P109 WeakPolarHBondContact O-CD 3.49Å | ||
| 110 | Y | 86.1 | Confident | 88.8 | Confident | 49 Ų | 49 | 87.5 Ų | 87.5 | 19% | 0.192 | 44% | 0.44 | C | S | . | . | trans | -149.7 | 0 | -177.7 | 44.8 | -95.3 | 0 | 0 | 0 | 112.9 | E44 N71 C72 F75 W76 M108 | E44-Y110 HydrophobicContact CG-CD2 4.11Å; E44-Y110 HydrophobicContact CG-CE2 3.99Å; N71-Y110 VanDerWaalsContact CB-CB 3.44Å; C72-Y110 VanDerWaalsContact CA-CD1 3.48Å; C72-Y110 HydrophobicContact CB-CD1 3.83Å; C72-Y110 HydrophobicContact CB-CD2 3.59Å; C72-Y110 HydrophobicContact CB-CE1 4Å; C72-Y110 HydrophobicContact CB-CE2 3.71Å; C72-Y110 HydrophobicContact CB-CG 3.63Å; C72-Y110 VanDerWaalsContact SG-CZ 3.57Å; F75-Y110 HydrophobicContact CB-CD1 4.35Å; F75-Y110 HydrophobicContact CD1-CD1 4.46Å; F75-Y110 HydrophobicContact CD1-CE1 4.26Å; W76-Y110 AromaticContact NE1-CE1 3.73Å; M108-Y110 HydrophobicContact CE-CD2 3.92Å; M108-Y110 HydrophobicContact CE-CE1 4.29Å; M108-Y110 HydrophobicContact CE-CE2 3.23Å; M108-Y110 VanDerWaalsContact CE-CZ 3.44Å; M108-Y110 PolarHBondContact O-N 3.3Å |
Retrieved 110 of 110 residues in 47.7 ms
(Link to these results)