| 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 | 47.8 | Very low | 53.1 | Low | 238 Ų | 238 | 123.6 Ų | 123.6 | 100% | 1.172 | 66% | 0.661 | S | S | * | * | 0 | 104.6 | 0 | -170.8 | 175.2 | -169.5 | 0 | 0 | 105.8 | G3 | M1-G3 PolarHBondContact O-N 3.45Å; M1-G3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | F | 43.4 | Very low | 52.9 | Low | 184 Ų | 184 | 117.8 Ų | 117.8 | 81% | 0.807 | 65% | 0.652 | S | S | * | * | trans | -62 | 119 | -173.5 | -67.6 | -85.1 | 0 | 0 | 0 | 109.1 | D6 | F2-D6 VanDerWaalsContact C-OD2 3.31Å; F2-D6 WeakPolarHBondContact CA-OD2 3.16Å; F2-D6 HydrophobicContact CB-CB 4.21Å; F2-D6 WeakPolarHBondContact CB-OD2 3.2Å; F2-D6 HydrophobicContact CD1-CB 4.17Å; F2-D6 WeakPolarHBondContact CD1-OD2 3.2Å | ||
| 3 | G | 55.4 | Low | 53.2 | Low | 37 Ų | 37 | 119.5 Ų | 119.5 | 38% | 0.381 | 66% | 0.66 | S | S | . | * | trans | -71 | 158.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | M1 Y5 D6 | M1-G3 PolarHBondContact O-N 3.45Å; M1-G3 VanDerWaalsContact O-N 3.17Å; G3-Y5 PolarHBondContact O-N 2.88Å; G3-D6 PolarHBondContact N-OD2 3.05Å; G3-D6 PolarHBondContact O-N 2.95Å | ||
| 4 | V | 57.5 | Low | 53.7 | Low | 133 Ų | 133 | 124.4 Ų | 124.4 | 81% | 0.806 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -7 | 173.4 | 177.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 5 | Y | 53.5 | Low | 54.2 | Low | 158 Ų | 158 | 126.9 Ų | 126.9 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -7.3 | -179.2 | -55.6 | -73.1 | 0 | 0 | 0 | 115.3 | G3 N7 I8 P18 | G3-Y5 PolarHBondContact O-N 2.88Å; Y5-N7 VanDerWaalsContact C-N 3.26Å; Y5-N7 PolarHBondContact O-N 3.43Å; Y5-I8 PolarHBondContact O-N 3.26Å; Y5-P18 HydrophobicContact CD1-CG 4.35Å; Y5-P18 HydrophobicContact CE1-CG 4.13Å |
| 6 | D | 57.1 | Low | 54.8 | Low | 73 Ų | 73 | 127.3 Ų | 127.3 | 39% | 0.39 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -23.4 | -175.9 | -86.9 | -40.1 | 0 | 0 | 0 | 113.8 | F2 G3 I8 | F2-D6 VanDerWaalsContact C-OD2 3.31Å; F2-D6 WeakPolarHBondContact CA-OD2 3.16Å; F2-D6 HydrophobicContact CB-CB 4.21Å; F2-D6 WeakPolarHBondContact CB-OD2 3.2Å; F2-D6 HydrophobicContact CD1-CB 4.17Å; F2-D6 WeakPolarHBondContact CD1-OD2 3.2Å; G3-D6 PolarHBondContact N-OD2 3.05Å; G3-D6 PolarHBondContact O-N 2.95Å; D6-I8 VanDerWaalsContact C-N 3.29Å; D6-I8 PolarHBondContact O-N 3.33Å |
| 7 | N | 54.9 | Low | 55.4 | Low | 129 Ų | 129 | 125.4 Ų | 125.4 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -4.2 | -178.4 | -56.8 | -27.2 | 0 | 0 | 0 | 113.5 | Y5 | Y5-N7 VanDerWaalsContact C-N 3.26Å; Y5-N7 PolarHBondContact O-N 3.43Å |
| 8 | I | 53.6 | Low | 55.9 | Low | 56 Ų | 56 | 120.4 Ų | 120.4 | 29% | 0.287 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.7 | -28 | -176.4 | -59.6 | 175.2 | 0 | 0 | 0 | 111.1 | Y5 D6 I10 P18 | Y5-I8 PolarHBondContact O-N 3.26Å; D6-I8 VanDerWaalsContact C-N 3.29Å; D6-I8 PolarHBondContact O-N 3.33Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 3.17Å; I8-P18 HydrophobicContact CD1-CB 3.79Å; I8-P18 HydrophobicContact CD1-CG 3.62Å |
| 9 | G | 50 | Low | 56.3 | Low | 57 Ų | 57 | 120.6 Ų | 120.6 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -17.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 10 | I | 55.7 | Low | 56.7 | Low | 137 Ų | 137 | 120.1 Ų | 120.1 | 70% | 0.703 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -17.5 | -175 | -64.2 | 172.2 | 0 | 0 | 0 | 112.7 | I8 | I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 3.17Å |
| 11 | L | 55.6 | Low | 57.4 | Low | 158 Ų | 158 | 119.6 Ų | 119.6 | 83% | 0.827 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -125.5 | 13.7 | -165.6 | -70.9 | 172.5 | 0 | 0 | 0 | 117.2 | ||
| 12 | G | 49.8 | Very low | 58.6 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 56% | 0.557 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 110.7 | 168.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 13 | N | 57.8 | Low | 60.2 | Low | 140 Ų | 140 | 115 Ų | 115 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | trans | -23.7 | 129.5 | -167.5 | -76.2 | -10 | 0 | 0 | 0 | 115.9 | E15 | N13-E15 HydrophobicContact CB-CG 4.18Å; N13-E15 PolarHBondContact O-N 3.18Å | ||
| 14 | F | 59.5 | Low | 61.5 | Low | 188 Ų | 188 | 115 Ų | 115 | 83% | 0.825 | 59% | 0.591 | S | S | * | * | trans | -62.8 | 49.2 | 178.2 | -64.8 | -89.8 | 0 | 0 | 0 | 114.5 | K16 | F14-K16 VanDerWaalsContact C-N 3.35Å; F14-K16 PolarHBondContact O-N 2.79Å | ||
| 15 | E | 61.8 | Low | 62.9 | Low | 161 Ų | 161 | 111.6 Ų | 111.6 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | trans | -72 | -25.5 | -173.6 | -70.9 | -168.9 | 161.2 | 0 | 0 | 113.6 | N13 | N13-E15 HydrophobicContact CB-CG 4.18Å; N13-E15 PolarHBondContact O-N 3.18Å | ||
| 16 | K | 62.8 | Low | 64.5 | Low | 134 Ų | 134 | 109.8 Ų | 109.8 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -140.1 | 127.3 | -177.6 | -63.5 | -175.3 | -176.8 | 172.7 | 0 | 111.4 | F14 L21 | F14-K16 VanDerWaalsContact C-N 3.35Å; F14-K16 PolarHBondContact O-N 2.79Å; K16-L21 HydrophobicContact CB-CD2 4.49Å |
| 17 | H | 65 | Low | 65.9 | Low | 94 Ų | 94 | 108.1 Ų | 108.1 | 44% | 0.435 | 56% | 0.559 | S | S | . | * | trans | -67.2 | 137 | 177.7 | -173.9 | -75.8 | 0 | 0 | 0 | 109.3 | K19 E20 | H17-K19 HydrophobicContact CB-CD 4.28Å; H17-K19 HydrophobicContact CB-CG 4.08Å; H17-K19 WeakPolarHBondContact ND1-CB 3.33Å; H17-K19 VanDerWaalsContact ND1-CD 3.26Å; H17-K19 WeakPolarHBondContact ND1-CD 3.48Å; H17-K19 WeakPolarHBondContact ND1-CG 3.19Å; H17-K19 PolarHBondContact ND1-N 2.85Å; H17-K19 PolarHBondContact O-N 3.16Å; H17-E20 PolarHBondContact N-OE2 2.71Å; H17-E20 VanDerWaalsContact O-CB 3.28Å; H17-E20 WeakPolarHBondContact O-CB 2.98Å; H17-E20 PolarHBondContact O-N 3.39Å | ||
| 18 | P | 64.8 | Low | 67.5 | Low | 37 Ų | 37 | 105.4 Ų | 105.4 | 24% | 0.24 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -51.5 | -27.8 | -176.2 | 7.6 | -22.8 | 0 | 0 | 0 | 115.4 | Y5 I8 E20 L21 I22 | Y5-P18 HydrophobicContact CD1-CG 4.35Å; Y5-P18 HydrophobicContact CE1-CG 4.13Å; I8-P18 HydrophobicContact CD1-CB 3.79Å; I8-P18 HydrophobicContact CD1-CG 3.62Å; P18-E20 PolarHBondContact O-N 3.48Å; P18-L21 WeakPolarHBondContact O-CB 3.47Å; P18-L21 PolarHBondContact O-N 3.1Å; P18-L21 VanDerWaalsContact O-N 3.08Å; P18-I22 PolarHBondContact O-N 3.45Å |
| 19 | K | 63.6 | Low | 69.1 | Low | 124 Ų | 124 | 107.7 Ų | 107.7 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -53.8 | -28.5 | 169.5 | 79 | -167.9 | 167.9 | -176 | 0 | 114.6 | H17 | H17-K19 HydrophobicContact CB-CD 4.28Å; H17-K19 HydrophobicContact CB-CG 4.08Å; H17-K19 WeakPolarHBondContact ND1-CB 3.33Å; H17-K19 VanDerWaalsContact ND1-CD 3.26Å; H17-K19 WeakPolarHBondContact ND1-CD 3.48Å; H17-K19 WeakPolarHBondContact ND1-CG 3.19Å; H17-K19 PolarHBondContact ND1-N 2.85Å; H17-K19 PolarHBondContact O-N 3.16Å |
| 20 | E | 65.3 | Low | 70.7 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -86.2 | -22.3 | -179.6 | -64.1 | 167.2 | -169.1 | 0 | 0 | 112 | H17 P18 I22 | H17-E20 PolarHBondContact N-OE2 2.71Å; H17-E20 VanDerWaalsContact O-CB 3.28Å; H17-E20 WeakPolarHBondContact O-CB 2.98Å; H17-E20 PolarHBondContact O-N 3.39Å; P18-E20 PolarHBondContact O-N 3.48Å; E20-I22 VanDerWaalsContact C-N 3.34Å |
| 21 | L | 70.8 | Confident | 72.3 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -78.7 | -19.2 | 175.5 | -58.3 | 176.8 | 0 | 0 | 0 | 112.3 | K16 P18 R23 | K16-L21 HydrophobicContact CB-CD2 4.49Å; P18-L21 WeakPolarHBondContact O-CB 3.47Å; P18-L21 PolarHBondContact O-N 3.1Å; P18-L21 VanDerWaalsContact O-N 3.08Å; L21-R23 PolarHBondContact O-N 3.45Å |
| 22 | I | 72.6 | Confident | 73.9 | Confident | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 54% | 0.538 | S | S | . | . | trans | -71.3 | 103.8 | 178.7 | -57.7 | 174.8 | 0 | 0 | 0 | 109.8 | P18 E20 R29 | P18-I22 PolarHBondContact O-N 3.45Å; E20-I22 VanDerWaalsContact C-N 3.34Å; I22-R29 HydrophobicContact CG2-CB 4.35Å; I22-R29 HydrophobicContact CG2-CG 3.92Å; I22-R29 VanDerWaalsContact O-CZ 3.26Å; I22-R29 PolarHBondContact O-NE 2.92Å | ||
| 23 | R | 77.9 | Confident | 76 | Confident | 241 Ų | 241 | 107 Ų | 107 | 91% | 0.909 | 54% | 0.539 | S | S | * | . | trans | -75 | 140.6 | 174 | -62 | -176.5 | 179.6 | -176.4 | 0.8 | 110.5 | L21 | L21-R23 PolarHBondContact O-N 3.45Š| ||
| 24 | G | 81.6 | Confident | 77.8 | Confident | 37 Ų | 37 | 103.2 Ų | 103.2 | 38% | 0.381 | 52% | 0.518 | S | S | . | . | S | Bend | trans | 128.7 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R29 | G24-R29 PolarHBondContact O-NE 3.41Å; G24-R29 PolarHBondContact O-NH2 2.92Å |
| 25 | P | 86.6 | Confident | 79.5 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | trans | -63.9 | 139.2 | -177 | -20 | 31.9 | 0 | 0 | 0 | 112.4 | W27 L28 R29 | P25-W27 HydrophobicContact CB-CD2 4.3Å; P25-W27 HydrophobicContact CB-CG 4.21Å; P25-W27 HydrophobicContact CB-CZ2 4.24Å; P25-W27 HydrophobicContact CG-CZ2 4.22Å; P25-W27 PolarHBondContact O-N 3.3Å; P25-W27 VanDerWaalsContact O-N 3.09Å; P25-L28 PolarHBondContact O-N 2.89Å; P25-R29 PolarHBondContact O-N 3.47Å | ||
| 26 | I | 86.9 | Confident | 81.2 | Confident | 121 Ų | 121 | 90.6 Ų | 90.6 | 62% | 0.621 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -34.9 | -178 | -62.1 | 171.7 | 0 | 0 | 0 | 112 | L28 M45 | I26-L28 PolarHBondContact O-N 3.2Å; I26-M45 HydrophobicContact CG2-CE 4.02Å |
| 27 | W | 86.9 | Confident | 82.8 | Confident | 38 Ų | 38 | 88.6 Ų | 88.6 | 14% | 0.144 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.6 | 179.3 | 61.9 | -96.8 | 0 | 0 | 0 | 114.1 | P25 R38 R41 K42 M45 | P25-W27 HydrophobicContact CB-CD2 4.3Å; P25-W27 HydrophobicContact CB-CG 4.21Å; P25-W27 HydrophobicContact CB-CZ2 4.24Å; P25-W27 HydrophobicContact CG-CZ2 4.22Å; P25-W27 PolarHBondContact O-N 3.3Å; P25-W27 VanDerWaalsContact O-N 3.09Å; W27-R38 HydrophobicContact CZ3-CG 3.93Å; W27-R41 WeakPolarHBondContact O-CD 3.44Å; W27-R41 PolarHBondContact O-NE 3.17Å; W27-K42 HydrophobicContact CD2-CB 3.98Å; W27-K42 HydrophobicContact CD2-CD 4.31Å; W27-K42 HydrophobicContact CD2-CG 3.84Å; W27-K42 HydrophobicContact CE3-CB 3.81Å; W27-K42 HydrophobicContact CE3-CD 4.4Å; W27-K42 HydrophobicContact CE3-CG 4.09Å; W27-K42 HydrophobicContact CG-CG 4.34Å; W27-K42 HydrophobicContact CH2-CD 3.76Å; W27-K42 HydrophobicContact CH2-CG 4.33Å; W27-K42 HydrophobicContact CZ2-CD 3.62Å; W27-K42 HydrophobicContact CZ2-CG 4.07Å; W27-K42 HydrophobicContact CZ3-CB 4.14Å; W27-K42 HydrophobicContact CZ3-CD 4.14Å; W27-K42 HydrophobicContact CZ3-CG 4.32Å; W27-M45 HydrophobicContact CB-CB 4.25Å; W27-M45 HydrophobicContact CB-CE 4.28Å; W27-M45 HydrophobicContact CB-CG 4.49Å; W27-M45 HydrophobicContact CB-SD 3.59Å; W27-M45 VanDerWaalsContact CB-SD 3.59Å |
| 28 | L | 89.3 | Confident | 84.3 | Confident | 72 Ų | 72 | 88.4 Ų | 88.4 | 38% | 0.377 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -21.6 | -179.3 | -168.6 | 64.7 | 0 | 0 | 0 | 113.4 | P25 I26 G30 W31 R38 | P25-L28 PolarHBondContact O-N 2.89Å; I26-L28 PolarHBondContact O-N 3.2Å; L28-G30 PolarHBondContact O-N 3.4Å; L28-W31 HydrophobicContact CD1-CB 4.48Å; L28-W31 VanDerWaalsContact O-CB 3.3Å; L28-W31 WeakPolarHBondContact O-CB 3.36Å; L28-W31 PolarHBondContact O-N 3.46Å; L28-W31 VanDerWaalsContact O-N 3.16Å; L28-R38 HydrophobicContact CD1-CG 4.41Å |
| 29 | R | 87.2 | Confident | 85.9 | Confident | 103 Ų | 103 | 87.1 Ų | 87.1 | 39% | 0.389 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 126.4 | 179.5 | -62.4 | -173.5 | -166.8 | -179.2 | 2.1 | 110.5 | I22 G24 P25 W31 | I22-R29 HydrophobicContact CG2-CB 4.35Å; I22-R29 HydrophobicContact CG2-CG 3.92Å; I22-R29 VanDerWaalsContact O-CZ 3.26Å; I22-R29 PolarHBondContact O-NE 2.92Å; G24-R29 PolarHBondContact O-NE 3.41Å; G24-R29 PolarHBondContact O-NH2 2.92Å; P25-R29 PolarHBondContact O-N 3.47Å; R29-W31 PolarHBondContact O-N 3.02Å; R29-W31 VanDerWaalsContact O-N 3.17Å |
| 30 | G | 83.3 | Confident | 87.5 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 78% | 0.784 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 11.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L28 | L28-G30 PolarHBondContact O-N 3.4Š|
| 31 | W | 88.7 | Confident | 89 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 28% | 0.28 | 43% | 0.426 | S | S | . | . | trans | -71.5 | 135.4 | -179.1 | 176.4 | -104 | 0 | 0 | 0 | 111.8 | L28 R29 Q37 R38 R41 | L28-W31 HydrophobicContact CD1-CB 4.48Å; L28-W31 VanDerWaalsContact O-CB 3.3Å; L28-W31 WeakPolarHBondContact O-CB 3.36Å; L28-W31 PolarHBondContact O-N 3.46Å; L28-W31 VanDerWaalsContact O-N 3.16Å; R29-W31 PolarHBondContact O-N 3.02Å; R29-W31 VanDerWaalsContact O-N 3.17Å; W31-Q37 HydrophobicContact CH2-CB 3.78Å; W31-Q37 VanDerWaalsContact CZ2-C 3.48Å; W31-Q37 HydrophobicContact CZ2-CB 3.5Å; W31-R38 HydrophobicContact CZ2-CB 4.24Å; W31-R41 HydrophobicContact CZ3-CB 4.46Å; W31-R41 VanDerWaalsContact CZ3-CD 3.46Å | ||
| 32 | K | 89.6 | Confident | 90.2 | Very high | 187 Ų | 187 | 81.6 Ų | 81.6 | 81% | 0.813 | 41% | 0.412 | S | S | * | . | trans | -133.9 | 146.1 | 169.3 | -65.1 | -173.8 | 178.4 | -176 | 0 | 108.6 | ||||
| 33 | G | 93.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 82.5 Ų | 82.5 | 58% | 0.577 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 132.8 | -176 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 34 | N | 94.9 | Very high | 92.2 | Very high | 59 Ų | 59 | 80 Ų | 80 | 32% | 0.316 | 41% | 0.406 | S | S | . | . | trans | -81.8 | 170.2 | -178.4 | 70.5 | 39 | 0 | 0 | 0 | 112.4 | L36 Q37 R38 F69 | N34-L36 VanDerWaalsContact C-N 3.33Å; N34-L36 PolarHBondContact O-N 3.34Å; N34-L36 WeakPolarHBondContact OD1-CB 3.3Å; N34-L36 PolarHBondContact OD1-N 3.29Å; N34-L36 VanDerWaalsContact OD1-N 3.13Å; N34-Q37 PolarHBondContact O-N 3.27Å; N34-Q37 WeakPolarHBondContact OD1-CG 3.32Å; N34-Q37 PolarHBondContact OD1-N 2.7Å; N34-R38 PolarHBondContact O-N 3.16Å; N34-F69 HydrophobicContact CB-CZ 4.09Å | ||
| 35 | E | 95.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 81.9 Ų | 81.9 | 29% | 0.29 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | -176.7 | -167.9 | -172.4 | 169.9 | 0 | 0 | 112.9 | Q37 R38 C39 R61 L65 | E35-Q37 PolarHBondContact O-N 3.33Å; E35-R38 WeakPolarHBondContact O-CB 3.42Å; E35-R38 PolarHBondContact O-N 3.29Å; E35-R38 IonicContact OE1-NH2 3.88Å; E35-C39 PolarHBondContact O-N 2.92Å; E35-C39 PolarHBondContact O-SG 3.38Å; E35-R61 VanDerWaalsContact CD-NH2 3.31Å; E35-R61 IonicContact OE1-CZ 3.56Å; E35-R61 IonicContact OE1-NE 3.63Å; E35-R61 PolarHBondContact OE1-NE 3.4Å; E35-R61 IonicContact OE1-NH2 2.71Å; E35-R61 PolarHBondContact OE1-NH2 2.93Å; E35-R61 IonicContact OE2-CZ 3.4Å; E35-R61 IonicContact OE2-NE 2.79Å; E35-R61 IonicContact OE2-NH2 3.18Å; E35-R61 PolarHBondContact OE2-NH2 3.28Å; E35-L65 HydrophobicContact CB-CD1 3.95Å; E35-L65 HydrophobicContact CG-CD1 3.72Å |
| 36 | L | 97 | Very high | 93.3 | Very high | 22 Ų | 22 | 81.1 Ų | 81.1 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 179.8 | 174.2 | 59.7 | 0 | 0 | 0 | 110.4 | N34 R38 C39 I40 I62 L65 F69 | N34-L36 VanDerWaalsContact C-N 3.33Å; N34-L36 PolarHBondContact O-N 3.34Å; N34-L36 WeakPolarHBondContact OD1-CB 3.3Å; N34-L36 PolarHBondContact OD1-N 3.29Å; N34-L36 VanDerWaalsContact OD1-N 3.13Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 PolarHBondContact O-N 2.88Å; L36-C39 PolarHBondContact O-N 3.19Å; L36-I40 HydrophobicContact CD1-CD1 3.92Å; L36-I40 HydrophobicContact CD1-CG1 4.33Å; L36-I40 HydrophobicContact CG-CD1 3.96Å; L36-I40 WeakPolarHBondContact O-CG1 3.36Å; L36-I40 PolarHBondContact O-N 2.92Å; L36-I62 HydrophobicContact CD1-CG2 4.06Å; L36-L65 HydrophobicContact CB-CB 4.01Å; L36-L65 HydrophobicContact CB-CD1 4.31Å; L36-L65 HydrophobicContact CD1-CB 3.94Å; L36-L65 HydrophobicContact CG-CB 4.45Å; L36-F69 HydrophobicContact CB-CD2 4.02Å; L36-F69 HydrophobicContact CB-CE2 3.94Å; L36-F69 HydrophobicContact CD2-CD2 4.11Å |
| 37 | Q | 96.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 75.8 Ų | 75.8 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 176.8 | -68.3 | 168.4 | -23.6 | 0 | 0 | 111.2 | W31 N34 E35 I40 R41 | W31-Q37 HydrophobicContact CH2-CB 3.78Å; W31-Q37 VanDerWaalsContact CZ2-C 3.48Å; W31-Q37 HydrophobicContact CZ2-CB 3.5Å; N34-Q37 PolarHBondContact O-N 3.27Å; N34-Q37 WeakPolarHBondContact OD1-CG 3.32Å; N34-Q37 PolarHBondContact OD1-N 2.7Å; E35-Q37 PolarHBondContact O-N 3.33Å; Q37-I40 PolarHBondContact O-N 3.05Å; Q37-R41 WeakPolarHBondContact O-CB 3.44Å; Q37-R41 PolarHBondContact O-N 3.17Å |
| 38 | R | 97.1 | Very high | 93.9 | Very high | 91 Ų | 91 | 79.5 Ų | 79.5 | 34% | 0.343 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.6 | -170.4 | -175.5 | 65.5 | 167.7 | -1.2 | 112 | W27 L28 W31 N34 E35 L36 R41 K42 | W27-R38 HydrophobicContact CZ3-CG 3.93Å; L28-R38 HydrophobicContact CD1-CG 4.41Å; W31-R38 HydrophobicContact CZ2-CB 4.24Å; N34-R38 PolarHBondContact O-N 3.16Å; E35-R38 WeakPolarHBondContact O-CB 3.42Å; E35-R38 PolarHBondContact O-N 3.29Å; E35-R38 IonicContact OE1-NH2 3.88Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 PolarHBondContact O-N 2.88Å; R38-R41 PolarHBondContact O-N 3.23Å; R38-K42 PolarHBondContact O-N 3.36Å |
| 39 | C | 97.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 86.6 Ų | 86.6 | 6% | 0.061 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 179.2 | -73.4 | 0 | 0 | 0 | 0 | 112 | E35 L36 R41 K42 R43 L58 I62 | E35-C39 PolarHBondContact O-N 2.92Å; E35-C39 PolarHBondContact O-SG 3.38Å; L36-C39 PolarHBondContact O-N 3.19Å; C39-R41 VanDerWaalsContact C-N 3.34Å; C39-K42 PolarHBondContact O-N 3.39Å; C39-R43 WeakPolarHBondContact O-CB 3.33Å; C39-R43 PolarHBondContact O-N 3.44Å; C39-L58 HydrophobicContact CB-CD1 3.8Å; C39-I62 HydrophobicContact CB-CD1 4.14Å; C39-I62 HydrophobicContact CB-CG1 3.55Å |
| 40 | I | 97 | Very high | 94.5 | Very high | 74 Ų | 74 | 83.5 Ų | 83.5 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 174.8 | -69.1 | 167.1 | 0 | 0 | 0 | 110.5 | L36 Q37 R43 K44 I62 | L36-I40 HydrophobicContact CD1-CD1 3.92Å; L36-I40 HydrophobicContact CD1-CG1 4.33Å; L36-I40 HydrophobicContact CG-CD1 3.96Å; L36-I40 WeakPolarHBondContact O-CG1 3.36Å; L36-I40 PolarHBondContact O-N 2.92Å; Q37-I40 PolarHBondContact O-N 3.05Å; I40-R43 PolarHBondContact O-N 3.48Å; I40-K44 WeakPolarHBondContact O-CB 3.39Å; I40-K44 PolarHBondContact O-N 3.06Å; I40-I62 HydrophobicContact CG1-CD1 4.47Å; I40-I62 HydrophobicContact CG1-CG2 4.33Å |
| 41 | R | 96.6 | Very high | 95.2 | Very high | 91 Ų | 91 | 87.7 Ų | 87.7 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 175.5 | 179.1 | 176.5 | -179.8 | 84.4 | -0.2 | 111.9 | W27 W31 Q37 R38 C39 R43 K44 M45 | W27-R41 WeakPolarHBondContact O-CD 3.44Å; W27-R41 PolarHBondContact O-NE 3.17Å; W31-R41 HydrophobicContact CZ3-CB 4.46Å; W31-R41 VanDerWaalsContact CZ3-CD 3.46Å; Q37-R41 WeakPolarHBondContact O-CB 3.44Å; Q37-R41 PolarHBondContact O-N 3.17Å; R38-R41 PolarHBondContact O-N 3.23Å; C39-R41 VanDerWaalsContact C-N 3.34Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 3.41Å; R41-K44 PolarHBondContact O-N 2.95Å; R41-M45 HydrophobicContact CG-CG 4.43Å; R41-M45 HydrophobicContact CG-SD 3.83Å; R41-M45 WeakPolarHBondContact O-CG 3.33Å; R41-M45 PolarHBondContact O-N 3.4Å |
| 42 | K | 96.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 88 Ų | 88 | 27% | 0.274 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.3 | -48.5 | 176 | -174.5 | -179 | -177.8 | -177.9 | 0 | 110.6 | W27 R38 C39 K44 M45 V46 L58 | W27-K42 HydrophobicContact CD2-CB 3.98Å; W27-K42 HydrophobicContact CD2-CD 4.31Å; W27-K42 HydrophobicContact CD2-CG 3.84Å; W27-K42 HydrophobicContact CE3-CB 3.81Å; W27-K42 HydrophobicContact CE3-CD 4.4Å; W27-K42 HydrophobicContact CE3-CG 4.09Å; W27-K42 HydrophobicContact CG-CG 4.34Å; W27-K42 HydrophobicContact CH2-CD 3.76Å; W27-K42 HydrophobicContact CH2-CG 4.33Å; W27-K42 HydrophobicContact CZ2-CD 3.62Å; W27-K42 HydrophobicContact CZ2-CG 4.07Å; W27-K42 HydrophobicContact CZ3-CB 4.14Å; W27-K42 HydrophobicContact CZ3-CD 4.14Å; W27-K42 HydrophobicContact CZ3-CG 4.32Å; R38-K42 PolarHBondContact O-N 3.36Å; C39-K42 PolarHBondContact O-N 3.39Å; K42-K44 PolarHBondContact O-N 3.13Å; K42-M45 PolarHBondContact O-N 3.4Å; K42-V46 HydrophobicContact CG-CG2 3.73Å; K42-V46 WeakPolarHBondContact O-CG2 3.29Å; K42-V46 PolarHBondContact O-N 2.96Å; K42-L58 HydrophobicContact CB-CD2 4.5Å; K42-L58 HydrophobicContact CD-CD1 4.38Å; K42-L58 HydrophobicContact CD-CD2 4.35Å; K42-L58 HydrophobicContact CG-CD2 4.29Å |
| 43 | R | 97 | Very high | 95.9 | Very high | 105 Ų | 105 | 84.9 Ų | 84.9 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 178.6 | -170.2 | 177.7 | 66.8 | 175.1 | 3.1 | 112.1 | C39 I40 R41 M45 G47 L55 L58 N59 I62 | C39-R43 WeakPolarHBondContact O-CB 3.33Å; C39-R43 PolarHBondContact O-N 3.44Å; I40-R43 PolarHBondContact O-N 3.48Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 3.41Å; R43-M45 PolarHBondContact O-N 2.97Å; R43-G47 WeakPolarHBondContact O-CA 3.41Å; R43-G47 PolarHBondContact O-N 2.91Å; R43-L55 HydrophobicContact CG-CD1 4.35Å; R43-L58 HydrophobicContact CB-CD2 3.77Å; R43-L58 HydrophobicContact CB-CG 4.47Å; R43-L58 HydrophobicContact CG-CD2 4.3Å; R43-N59 WeakPolarHBondContact CD-OD1 3.39Å; R43-N59 PolarHBondContact NH1-OD1 3.01Å; R43-I62 HydrophobicContact CB-CD1 4.14Å |
| 44 | K | 96.2 | Very high | 95.9 | Very high | 189 Ų | 189 | 86.2 Ų | 86.2 | 82% | 0.822 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 178.8 | -176 | 175.9 | 179.5 | 177.9 | 0 | 112.5 | I40 R41 K42 | I40-K44 WeakPolarHBondContact O-CB 3.39Å; I40-K44 PolarHBondContact O-N 3.06Å; R41-K44 PolarHBondContact O-N 2.95Å; K42-K44 PolarHBondContact O-N 3.13Å |
| 45 | M | 95.2 | Very high | 96.1 | Very high | 76 Ų | 76 | 86 Ų | 86 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -86.4 | -40 | -172.9 | -67.5 | -176.1 | 72.6 | 0 | 0 | 113.9 | I26 W27 R41 K42 R43 | I26-M45 HydrophobicContact CG2-CE 4.02Å; W27-M45 HydrophobicContact CB-CB 4.25Å; W27-M45 HydrophobicContact CB-CE 4.28Å; W27-M45 HydrophobicContact CB-CG 4.49Å; W27-M45 HydrophobicContact CB-SD 3.59Å; W27-M45 VanDerWaalsContact CB-SD 3.59Å; R41-M45 HydrophobicContact CG-CG 4.43Å; R41-M45 HydrophobicContact CG-SD 3.83Å; R41-M45 WeakPolarHBondContact O-CG 3.33Å; R41-M45 PolarHBondContact O-N 3.4Å; K42-M45 PolarHBondContact O-N 3.4Å; R43-M45 PolarHBondContact O-N 2.97Å |
| 46 | V | 95.3 | Very high | 96.1 | Very high | 44 Ų | 44 | 87.4 Ų | 87.4 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -124.9 | -2.9 | -172.6 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | K42 S48 R49 M50 | K42-V46 HydrophobicContact CG-CG2 3.73Å; K42-V46 WeakPolarHBondContact O-CG2 3.29Å; K42-V46 PolarHBondContact O-N 2.96Å; V46-S48 VanDerWaalsContact C-N 3.28Å; V46-S48 PolarHBondContact O-N 3.5Å; V46-R49 PolarHBondContact O-N 3.48Å; V46-M50 HydrophobicContact CG2-CG 4.4Å; V46-M50 HydrophobicContact CG2-SD 4.1Å; V46-M50 WeakPolarHBondContact O-CG 3.33Å; V46-M50 PolarHBondContact O-N 3.29Å |
| 47 | G | 93.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 90.6 Ų | 90.6 | 8% | 0.082 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -58.4 | -33 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | R43 R49 M50 | R43-G47 WeakPolarHBondContact O-CA 3.41Å; R43-G47 PolarHBondContact O-N 2.91Å; G47-R49 PolarHBondContact O-N 2.94Å; G47-M50 PolarHBondContact O-N 3.44Å |
| 48 | S | 93.9 | Very high | 96.2 | Very high | 117 Ų | 117 | 86.9 Ų | 86.9 | 82% | 0.818 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -70.2 | -17.5 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | V46 | V46-S48 VanDerWaalsContact C-N 3.28Å; V46-S48 PolarHBondContact O-N 3.5Å |
| 49 | R | 94.8 | Very high | 96.3 | Very high | 221 Ų | 221 | 84.2 Ų | 84.2 | 83% | 0.834 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -107.9 | 2.5 | -178.5 | -55.9 | 178.8 | -174.4 | 177.7 | -0 | 112.5 | V46 G47 | V46-R49 PolarHBondContact O-N 3.48Å; G47-R49 PolarHBondContact O-N 2.94Å |
| 50 | M | 94.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 89.3 Ų | 89.3 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -82.1 | 148.8 | -179.8 | -73.5 | 176.6 | 67.9 | 0 | 0 | 110.5 | V46 G47 D54 L55 L58 | V46-M50 HydrophobicContact CG2-CG 4.4Å; V46-M50 HydrophobicContact CG2-SD 4.1Å; V46-M50 WeakPolarHBondContact O-CG 3.33Å; V46-M50 PolarHBondContact O-N 3.29Å; G47-M50 PolarHBondContact O-N 3.44Å; M50-D54 HydrophobicContact CB-CB 4.43Å; M50-D54 HydrophobicContact CE-CB 3.55Å; M50-D54 WeakPolarHBondContact CE-O 3.4Å; M50-L55 HydrophobicContact CB-CB 4.23Å; M50-L58 HydrophobicContact CE-CB 4.23Å; M50-L58 HydrophobicContact CE-CD2 3.9Å; M50-L58 HydrophobicContact SD-CD2 3.75Å |
| 51 | F | 96.9 | Very high | 96.4 | Very high | 164 Ų | 164 | 90.5 Ų | 90.5 | 72% | 0.719 | 44% | 0.438 | S | S | * | . | trans | -61.5 | 153.2 | 167.1 | -63.7 | -74.2 | 0 | 0 | 0 | 110.6 | D53 D54 L55 | F51-D53 VanDerWaalsContact C-N 3.31Å; F51-D53 PolarHBondContact O-N 2.95Å; F51-D54 PolarHBondContact O-N 3.39Å; F51-L55 PolarHBondContact O-N 2.89Å | ||
| 52 | A | 96.1 | Very high | 96.5 | Very high | 80 Ų | 80 | 86.9 Ų | 86.9 | 66% | 0.661 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.5 | -44.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L55 H56 | A52-L55 PolarHBondContact O-N 3.49Å; A52-H56 WeakPolarHBondContact O-CB 3.46Å; A52-H56 PolarHBondContact O-N 3.29Å |
| 53 | D | 96.8 | Very high | 96.6 | Very high | 123 Ų | 123 | 90.6 Ų | 90.6 | 66% | 0.658 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.1 | -42 | 179.3 | -67.5 | -43.5 | 0 | 0 | 0 | 112.6 | F51 L55 H56 N57 | F51-D53 VanDerWaalsContact C-N 3.31Å; F51-D53 PolarHBondContact O-N 2.95Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 3.17Å; D53-H56 WeakPolarHBondContact O-CB 3.26Å; D53-H56 PolarHBondContact O-N 3.36Å; D53-N57 WeakPolarHBondContact O-CB 3.28Å; D53-N57 VanDerWaalsContact O-CG 3.3Å; D53-N57 PolarHBondContact O-N 3.02Å; D53-N57 PolarHBondContact O-ND2 2.7Å; D53-N57 VanDerWaalsContact O-ND2 3.17Å |
| 54 | D | 95.6 | Very high | 96.7 | Very high | 83 Ų | 83 | 91.5 Ų | 91.5 | 44% | 0.444 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.6 | -74.4 | -31.2 | 0 | 0 | 0 | 111.4 | M50 F51 N57 L58 | M50-D54 HydrophobicContact CB-CB 4.43Å; M50-D54 HydrophobicContact CE-CB 3.55Å; M50-D54 WeakPolarHBondContact CE-O 3.4Å; F51-D54 PolarHBondContact O-N 3.39Å; D54-N57 PolarHBondContact O-N 2.98Å; D54-L58 VanDerWaalsContact O-CB 3.29Å; D54-L58 WeakPolarHBondContact O-CB 3.48Å; D54-L58 PolarHBondContact O-N 3.32Å |
| 55 | L | 97.2 | Very high | 96.7 | Very high | 54 Ų | 54 | 82.8 Ų | 82.8 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 177.2 | -178.1 | 65 | 0 | 0 | 0 | 111.1 | R43 M50 F51 A52 D53 L58 N59 | R43-L55 HydrophobicContact CG-CD1 4.35Å; M50-L55 HydrophobicContact CB-CB 4.23Å; F51-L55 PolarHBondContact O-N 2.89Å; A52-L55 PolarHBondContact O-N 3.49Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 3.17Å; L55-L58 PolarHBondContact O-N 2.76Å; L55-N59 WeakPolarHBondContact O-CB 3.5Å; L55-N59 PolarHBondContact O-N 2.9Å; L55-N59 PolarHBondContact O-ND2 3.19Å; L55-N59 VanDerWaalsContact O-ND2 3.11Å |
| 56 | H | 97.7 | Very high | 96.9 | Very high | 92 Ų | 92 | 85.8 Ų | 85.8 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 174.3 | 178.1 | 90.5 | 0 | 0 | 0 | 111 | A52 D53 N59 K60 | A52-H56 WeakPolarHBondContact O-CB 3.46Å; A52-H56 PolarHBondContact O-N 3.29Å; D53-H56 WeakPolarHBondContact O-CB 3.26Å; D53-H56 PolarHBondContact O-N 3.36Å; H56-N59 PolarHBondContact O-N 3.47Å; H56-K60 WeakPolarHBondContact O-CB 3.17Å; H56-K60 PolarHBondContact O-N 3.26Å |
| 57 | N | 98.2 | Very high | 97 | Very high | 89 Ų | 89 | 89.6 Ų | 89.6 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 179.2 | -73.5 | -32.9 | 0 | 0 | 0 | 112.1 | D53 D54 N59 K60 R61 | D53-N57 WeakPolarHBondContact O-CB 3.28Å; D53-N57 VanDerWaalsContact O-CG 3.3Å; D53-N57 PolarHBondContact O-N 3.02Å; D53-N57 PolarHBondContact O-ND2 2.7Å; D53-N57 VanDerWaalsContact O-ND2 3.17Å; D54-N57 PolarHBondContact O-N 2.98Å; N57-N59 PolarHBondContact O-N 3.08Å; N57-K60 PolarHBondContact O-N 3.3Å; N57-R61 PolarHBondContact O-N 2.89Å |
| 58 | L | 97.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 92.7 Ų | 92.7 | 8% | 0.079 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 174.7 | -179.1 | 60.2 | 0 | 0 | 0 | 111.6 | C39 K42 R43 M50 D54 L55 R61 I62 | C39-L58 HydrophobicContact CB-CD1 3.8Å; K42-L58 HydrophobicContact CB-CD2 4.5Å; K42-L58 HydrophobicContact CD-CD1 4.38Å; K42-L58 HydrophobicContact CD-CD2 4.35Å; K42-L58 HydrophobicContact CG-CD2 4.29Å; R43-L58 HydrophobicContact CB-CD2 3.77Å; R43-L58 HydrophobicContact CB-CG 4.47Å; R43-L58 HydrophobicContact CG-CD2 4.3Å; M50-L58 HydrophobicContact CE-CB 4.23Å; M50-L58 HydrophobicContact CE-CD2 3.9Å; M50-L58 HydrophobicContact SD-CD2 3.75Å; D54-L58 VanDerWaalsContact O-CB 3.29Å; D54-L58 WeakPolarHBondContact O-CB 3.48Å; D54-L58 PolarHBondContact O-N 3.32Å; L55-L58 PolarHBondContact O-N 2.76Å; L58-R61 PolarHBondContact O-N 2.88Å; L58-I62 HydrophobicContact CD1-CD1 4.39Å; L58-I62 HydrophobicContact CG-CD1 4.15Å; L58-I62 WeakPolarHBondContact O-CG1 3.39Å; L58-I62 PolarHBondContact O-N 3.03Å |
| 59 | N | 98.3 | Very high | 97.2 | Very high | 35 Ų | 35 | 90.7 Ų | 90.7 | 19% | 0.187 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 177.3 | -77.6 | -40.6 | 0 | 0 | 0 | 112.2 | R43 L55 H56 N57 I62 R63 | R43-N59 WeakPolarHBondContact CD-OD1 3.39Å; R43-N59 PolarHBondContact NH1-OD1 3.01Å; L55-N59 WeakPolarHBondContact O-CB 3.5Å; L55-N59 PolarHBondContact O-N 2.9Å; L55-N59 PolarHBondContact O-ND2 3.19Å; L55-N59 VanDerWaalsContact O-ND2 3.11Å; H56-N59 PolarHBondContact O-N 3.47Å; N57-N59 PolarHBondContact O-N 3.08Å; N59-I62 PolarHBondContact O-N 3.36Å; N59-R63 WeakPolarHBondContact O-CG 3.48Å; N59-R63 PolarHBondContact O-N 2.99Å |
| 60 | K | 98.6 | Very high | 97.1 | Very high | 115 Ų | 115 | 85.1 Ų | 85.1 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 173.8 | -175 | -179.8 | -78.8 | 173.3 | 0 | 110.8 | H56 N57 R63 Y64 | H56-K60 WeakPolarHBondContact O-CB 3.17Å; H56-K60 PolarHBondContact O-N 3.26Å; N57-K60 PolarHBondContact O-N 3.3Å; K60-R63 PolarHBondContact O-N 3.41Å; K60-Y64 PolarHBondContact O-N 3.22Å |
| 61 | R | 98.3 | Very high | 97.1 | Very high | 100 Ų | 100 | 92.4 Ų | 92.4 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 177.2 | -172.2 | 61 | 174.7 | 173.7 | 2.4 | 112.3 | E35 N57 L58 R63 Y64 L65 | E35-R61 VanDerWaalsContact CD-NH2 3.31Å; E35-R61 IonicContact OE1-CZ 3.56Å; E35-R61 IonicContact OE1-NE 3.63Å; E35-R61 PolarHBondContact OE1-NE 3.4Å; E35-R61 IonicContact OE1-NH2 2.71Å; E35-R61 PolarHBondContact OE1-NH2 2.93Å; E35-R61 IonicContact OE2-CZ 3.4Å; E35-R61 IonicContact OE2-NE 2.79Å; E35-R61 IonicContact OE2-NH2 3.18Å; E35-R61 PolarHBondContact OE2-NH2 3.28Å; N57-R61 PolarHBondContact O-N 2.89Å; L58-R61 PolarHBondContact O-N 2.88Å; R61-R63 PolarHBondContact O-N 3.23Å; R61-Y64 PolarHBondContact O-N 2.87Å; R61-L65 HydrophobicContact CG-CD1 3.88Å; R61-L65 HydrophobicContact CG-CG 4.31Å; R61-L65 WeakPolarHBondContact O-CB 3.41Å; R61-L65 WeakPolarHBondContact O-CG 3.39Å; R61-L65 PolarHBondContact O-N 3.09Å |
| 62 | I | 98.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 91.2 Ų | 91.2 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 176.4 | -70.3 | 167.4 | 0 | 0 | 0 | 110.9 | L36 C39 I40 R43 L58 N59 Y64 L65 Y66 | L36-I62 HydrophobicContact CD1-CG2 4.06Å; C39-I62 HydrophobicContact CB-CD1 4.14Å; C39-I62 HydrophobicContact CB-CG1 3.55Å; I40-I62 HydrophobicContact CG1-CD1 4.47Å; I40-I62 HydrophobicContact CG1-CG2 4.33Å; R43-I62 HydrophobicContact CB-CD1 4.14Å; L58-I62 HydrophobicContact CD1-CD1 4.39Å; L58-I62 HydrophobicContact CG-CD1 4.15Å; L58-I62 WeakPolarHBondContact O-CG1 3.39Å; L58-I62 PolarHBondContact O-N 3.03Å; N59-I62 PolarHBondContact O-N 3.36Å; I62-Y64 PolarHBondContact O-N 3.33Å; I62-L65 PolarHBondContact O-N 2.92Å; I62-Y66 WeakPolarHBondContact O-CB 3.11Å; I62-Y66 PolarHBondContact O-N 3.38Å |
| 63 | R | 98.4 | Very high | 95.3 | Very high | 142 Ų | 142 | 93.1 Ų | 93.1 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 179.1 | -70.7 | -174.8 | -142.7 | 120.4 | -0.4 | 112.3 | N59 K60 R61 K67 | N59-R63 WeakPolarHBondContact O-CG 3.48Å; N59-R63 PolarHBondContact O-N 2.99Å; K60-R63 PolarHBondContact O-N 3.41Å; R61-R63 PolarHBondContact O-N 3.23Å; R63-K67 WeakPolarHBondContact O-CG 3.48Å; R63-K67 PolarHBondContact O-N 3.31Å |
| 64 | Y | 98.3 | Very high | 95.2 | Very high | 123 Ų | 123 | 91.6 Ų | 91.6 | 48% | 0.482 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.6 | -53.3 | 176.3 | 168.8 | -96.3 | 0 | 0 | 0 | 111.1 | K60 R61 I62 Y66 K67 H68 | K60-Y64 PolarHBondContact O-N 3.22Å; R61-Y64 PolarHBondContact O-N 2.87Å; I62-Y64 PolarHBondContact O-N 3.33Å; Y64-Y66 PolarHBondContact O-N 3.47Å; Y64-K67 PolarHBondContact O-N 3.11Å; Y64-K67 VanDerWaalsContact O-N 3.17Å; Y64-H68 HydrophobicContact CE1-CB 4.4Å; Y64-H68 WeakPolarHBondContact O-CB 3.33Å; Y64-H68 PolarHBondContact O-N 3.03Å |
| 65 | L | 97.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 92.1 Ų | 92.1 | 3% | 0.031 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | -176.9 | -70.1 | 173.9 | 0 | 0 | 0 | 111.5 | E35 L36 R61 I62 K67 H68 F69 | E35-L65 HydrophobicContact CB-CD1 3.95Å; E35-L65 HydrophobicContact CG-CD1 3.72Å; L36-L65 HydrophobicContact CB-CB 4.01Å; L36-L65 HydrophobicContact CB-CD1 4.31Å; L36-L65 HydrophobicContact CD1-CB 3.94Å; L36-L65 HydrophobicContact CG-CB 4.45Å; R61-L65 HydrophobicContact CG-CD1 3.88Å; R61-L65 HydrophobicContact CG-CG 4.31Å; R61-L65 WeakPolarHBondContact O-CB 3.41Å; R61-L65 WeakPolarHBondContact O-CG 3.39Å; R61-L65 PolarHBondContact O-N 3.09Å; I62-L65 PolarHBondContact O-N 2.92Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 3.43Å; L65-H68 PolarHBondContact O-N 2.92Å; L65-H68 VanDerWaalsContact O-N 3.16Å; L65-F69 HydrophobicContact CB-CD2 4.22Å; L65-F69 HydrophobicContact CB-CE2 4.29Å; L65-F69 HydrophobicContact CD2-CE2 4.17Å; L65-F69 WeakPolarHBondContact O-CB 3.46Å; L65-F69 WeakPolarHBondContact O-CD2 3.26Å; L65-F69 PolarHBondContact O-N 2.95Å |
| 66 | Y | 97.5 | Very high | 95.1 | Very high | 139 Ų | 139 | 94.2 Ų | 94.2 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.8 | -48.5 | 174.4 | 178.4 | -98 | 0 | 0 | 0 | 111.9 | I62 Y64 H68 N70 | I62-Y66 WeakPolarHBondContact O-CB 3.11Å; I62-Y66 PolarHBondContact O-N 3.38Å; Y64-Y66 PolarHBondContact O-N 3.47Å; Y66-H68 VanDerWaalsContact C-N 3.35Å; Y66-H68 PolarHBondContact O-N 2.84Å; Y66-N70 VanDerWaalsContact CE1-ND2 3.26Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.37Å; Y66-N70 WeakPolarHBondContact CE2-ND2 3.48Å; Y66-N70 WeakPolarHBondContact O-CB 3.12Å; Y66-N70 PolarHBondContact O-N 3.35Å; Y66-N70 VanDerWaalsContact O-N 3.1Å; Y66-N70 PolarHBondContact O-ND2 3.2Å; Y66-N70 PolarHBondContact O-OD1 2.96Å; Y66-N70 PolarHBondContact OH-ND2 3.43Å |
| 67 | K | 97.3 | Very high | 95 | Very high | 125 Ų | 125 | 94.3 Ų | 94.3 | 54% | 0.543 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 177.4 | -70.6 | -179.5 | -178.2 | -172.3 | 0 | 113 | R63 Y64 L65 R71 | R63-K67 WeakPolarHBondContact O-CG 3.48Å; R63-K67 PolarHBondContact O-N 3.31Å; Y64-K67 PolarHBondContact O-N 3.11Å; Y64-K67 VanDerWaalsContact O-N 3.17Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 3.43Å; K67-R71 PolarHBondContact O-N 3.34Å |
| 68 | H | 96.8 | Very high | 94.8 | Very high | 72 Ų | 72 | 94.6 Ų | 94.6 | 33% | 0.333 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.1 | -50.2 | -178.9 | 179.3 | 74.7 | 0 | 0 | 0 | 111.4 | Y64 L65 Y66 N70 R71 H72 | Y64-H68 HydrophobicContact CE1-CB 4.4Å; Y64-H68 WeakPolarHBondContact O-CB 3.33Å; Y64-H68 PolarHBondContact O-N 3.03Å; L65-H68 PolarHBondContact O-N 2.92Å; L65-H68 VanDerWaalsContact O-N 3.16Å; Y66-H68 VanDerWaalsContact C-N 3.35Å; Y66-H68 PolarHBondContact O-N 2.84Å; H68-N70 VanDerWaalsContact C-N 3.26Å; H68-N70 PolarHBondContact O-N 3.42Å; H68-R71 PolarHBondContact O-N 3.48Å; H68-H72 AromaticContact CE1-CD2 3.45Å; H68-H72 PolarHBondContact CE1-CD2 3.5Å; H68-H72 VanDerWaalsContact CE1-CD2 3.45Å; H68-H72 AromaticContact ND1-CD2 3.26Å; H68-H72 PolarHBondContact ND1-CD2 2.93Å; H68-H72 VanDerWaalsContact ND1-CD2 3.26Å; H68-H72 AromaticContact ND1-NE2 3.84Å; H68-H72 PolarHBondContact O-CD2 3.26Å; H68-H72 PolarHBondContact O-N 3.18Å |
| 69 | F | 94.9 | Very high | 94.5 | Very high | 75 Ų | 75 | 99.9 Ų | 99.9 | 33% | 0.329 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 175.8 | -79.4 | -71.2 | 0 | 0 | 0 | 112.2 | N34 L36 L65 R71 G73 | N34-F69 HydrophobicContact CB-CZ 4.09Å; L36-F69 HydrophobicContact CB-CD2 4.02Å; L36-F69 HydrophobicContact CB-CE2 3.94Å; L36-F69 HydrophobicContact CD2-CD2 4.11Å; L65-F69 HydrophobicContact CB-CD2 4.22Å; L65-F69 HydrophobicContact CB-CE2 4.29Å; L65-F69 HydrophobicContact CD2-CE2 4.17Å; L65-F69 WeakPolarHBondContact O-CB 3.46Å; L65-F69 WeakPolarHBondContact O-CD2 3.26Å; L65-F69 PolarHBondContact O-N 2.95Å; F69-R71 VanDerWaalsContact C-N 3.3Å; F69-R71 PolarHBondContact O-N 3.28Å; F69-G73 WeakPolarHBondContact O-CA 3.22Å; F69-G73 PolarHBondContact O-N 2.98Å |
| 70 | N | 93.9 | Very high | 94.3 | Very high | 105 Ų | 105 | 104.6 Ų | 104.6 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -77.6 | -12.6 | 176 | -67.1 | -7.7 | 0 | 0 | 0 | 114.2 | Y66 H68 | Y66-N70 VanDerWaalsContact CE1-ND2 3.26Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.37Å; Y66-N70 WeakPolarHBondContact CE2-ND2 3.48Å; Y66-N70 WeakPolarHBondContact O-CB 3.12Å; Y66-N70 PolarHBondContact O-N 3.35Å; Y66-N70 VanDerWaalsContact O-N 3.1Å; Y66-N70 PolarHBondContact O-ND2 3.2Å; Y66-N70 PolarHBondContact O-OD1 2.96Å; Y66-N70 PolarHBondContact OH-ND2 3.43Å; H68-N70 VanDerWaalsContact C-N 3.26Å; H68-N70 PolarHBondContact O-N 3.42Å |
| 71 | R | 94.4 | Very high | 93.9 | Very high | 190 Ų | 190 | 103.8 Ų | 103.8 | 72% | 0.717 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -99.1 | -33 | 176.8 | -87.9 | -169.8 | -117.4 | -167.5 | -7 | 113.5 | K67 H68 F69 | K67-R71 PolarHBondContact O-N 3.34Å; H68-R71 PolarHBondContact O-N 3.48Å; F69-R71 VanDerWaalsContact C-N 3.3Å; F69-R71 PolarHBondContact O-N 3.28Å |
| 72 | H | 90.7 | Very high | 93.6 | Very high | 138 Ų | 138 | 104.1 Ų | 104.1 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -121.5 | -2.5 | -171.6 | -58.8 | -78.2 | 0 | 0 | 0 | 113.4 | H68 | H68-H72 AromaticContact CE1-CD2 3.45Å; H68-H72 PolarHBondContact CE1-CD2 3.5Å; H68-H72 VanDerWaalsContact CE1-CD2 3.45Å; H68-H72 AromaticContact ND1-CD2 3.26Å; H68-H72 PolarHBondContact ND1-CD2 2.93Å; H68-H72 VanDerWaalsContact ND1-CD2 3.26Å; H68-H72 AromaticContact ND1-NE2 3.84Å; H68-H72 PolarHBondContact O-CD2 3.26Å; H68-H72 PolarHBondContact O-N 3.18Å |
| 73 | G | 64.4 | Low | 93.1 | Very high | 120 Ų | 120 | 112.3 Ų | 112.3 | 100% | 1.237 | 54% | 0.541 | S | S | * | . | trans | -83.9 | 0 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F69 | F69-G73 WeakPolarHBondContact O-CA 3.22Å; F69-G73 PolarHBondContact O-N 2.98Å |
Retrieved 73 of 73 residues in 22 ms
(Link to these results)