| 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 | 36.2 | Very low | 41.7 | Very low | 252 Ų | 252 | 157.9 Ų | 157.9 | 100% | 1.241 | 84% | 0.836 | S | S | * | * | 0 | 109.2 | 0 | -75.1 | 165.8 | 171 | 0 | 0 | 106.8 | |||||
| 2 | A | 39.2 | Very low | 42.1 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -106.8 | 108 | -173.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | R4 | A2-R4 PolarHBondContact O-N 3.44Š| ||
| 3 | E | 36.3 | Very low | 43.4 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -88.6 | 101.4 | 174 | -141.4 | 171.4 | 113.2 | 0 | 0 | 107.8 | V5 | E3-V5 PolarHBondContact O-N 3Š| ||
| 4 | R | 41.7 | Very low | 43.5 | Very low | 234 Ų | 234 | 141.4 Ų | 141.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -75.2 | 102.9 | 168 | -80.2 | -166.8 | 168.8 | -168.9 | -2.3 | 107.5 | A2 L6 | A2-R4 PolarHBondContact O-N 3.44Å; R4-L6 PolarHBondContact O-N 3.2Å | ||
| 5 | V | 39.9 | Very low | 44.3 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -61.9 | 104.4 | 167.5 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | E3 V7 | E3-V5 PolarHBondContact O-N 3Å; V5-V7 PolarHBondContact O-N 3.39Å | ||
| 6 | L | 44.9 | Very low | 46.2 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -65 | 102.3 | 167 | -78.8 | 156.8 | 0 | 0 | 0 | 107.4 | R4 P8 | R4-L6 PolarHBondContact O-N 3.2Å; L6-P8 WeakPolarHBondContact O-CD 3.44Å | ||
| 7 | V | 41.1 | Very low | 48.2 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | -62.7 | 122.5 | 167.1 | -176 | 0 | 0 | 0 | 0 | 106.7 | V5 T9 | V5-V7 PolarHBondContact O-N 3.39Å; V7-T9 PolarHBondContact O-N 2.94Å | ||
| 8 | P | 40.7 | Very low | 50.3 | Low | 102 Ų | 102 | 140.5 Ų | 140.5 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | trans | -64.4 | 108.7 | 176.4 | -16.4 | 29.5 | 0 | 0 | 0 | 108.5 | L6 Q10 | L6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-Q10 VanDerWaalsContact C-N 3.33Å; P8-Q10 PolarHBondContact O-N 3.03Å | ||
| 9 | T | 45.6 | Very low | 52.5 | Low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -64.1 | 98.2 | 162 | -42.9 | 0 | 0 | 0 | 0 | 106.2 | V7 I11 | V7-T9 PolarHBondContact O-N 2.94Å; T9-I11 PolarHBondContact O-N 3.12Å | ||
| 10 | Q | 46.9 | Very low | 54.3 | Low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | trans | -72.4 | 96.9 | 175.2 | -70.3 | -137.1 | -25.6 | 0 | 0 | 109.3 | P8 | P8-Q10 VanDerWaalsContact C-N 3.33Å; P8-Q10 PolarHBondContact O-N 3.03Å | ||
| 11 | I | 46.6 | Very low | 56.1 | Low | 156 Ų | 156 | 135.3 Ų | 135.3 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | trans | -77.5 | 127.8 | 165.3 | -67.2 | 172.4 | 0 | 0 | 0 | 107.9 | T9 | T9-I11 PolarHBondContact O-N 3.12Š| ||
| 12 | G | 46.1 | Very low | 58.8 | Low | 71 Ų | 71 | 126.4 Ų | 126.4 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | trans | 72.9 | 94.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G14 | G12-G14 PolarHBondContact O-N 3.26Å; G12-G14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | R | 58.5 | Low | 61.4 | Low | 106 Ų | 106 | 121.7 Ų | 121.7 | 40% | 0.4 | 63% | 0.627 | S | S | . | * | trans | -72.3 | 105.8 | 166.1 | -98.4 | -169.2 | 175.4 | -154.7 | 3.4 | 109.8 | D15 R16 Y18 E22 | R13-D15 PolarHBondContact O-N 2.74Å; R13-R16 PolarHBondContact NH1-O 3.4Å; R13-R16 VanDerWaalsContact NH1-O 3.11Å; R13-Y18 VanDerWaalsContact NH1-CD2 3.26Å; R13-E22 IonicContact CZ-OE2 3.83Å; R13-E22 IonicContact NH1-OE2 2.7Å; R13-E22 VanDerWaalsContact NH2-CD 3.28Å; R13-E22 IonicContact NH2-OE1 3.55Å; R13-E22 PolarHBondContact NH2-OE1 2.81Å; R13-E22 VanDerWaalsContact NH2-OE1 3.11Å; R13-E22 IonicContact NH2-OE2 3.25Å; R13-E22 PolarHBondContact NH2-OE2 3.42Å | ||
| 14 | G | 45.3 | Very low | 64.1 | Low | 66 Ų | 66 | 115.5 Ų | 115.5 | 68% | 0.68 | 60% | 0.6 | S | S | * | * | trans | -65.7 | 123 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | G12 R16 | G12-G14 PolarHBondContact O-N 3.26Å; G12-G14 VanDerWaalsContact O-N 3.12Å; G14-R16 PolarHBondContact O-N 3.49Å | ||
| 15 | D | 55.6 | Low | 66.7 | Low | 160 Ų | 160 | 107.2 Ų | 107.2 | 86% | 0.856 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 34.2 | 19.2 | 158.5 | -131.2 | 17.9 | 0 | 0 | 0 | 120.8 | R13 | R13-D15 PolarHBondContact O-N 2.74Š|
| 16 | R | 73.9 | Confident | 69.3 | Low | 178 Ų | 178 | 102.4 Ų | 102.4 | 67% | 0.672 | 55% | 0.551 | S | S | * | * | trans | -108.1 | 112 | -178.6 | -167.2 | 176.8 | 179.1 | 176.9 | 0.2 | 110.2 | R13 G14 | R13-R16 PolarHBondContact NH1-O 3.4Å; R13-R16 VanDerWaalsContact NH1-O 3.11Å; G14-R16 PolarHBondContact O-N 3.49Å | ||
| 17 | Y | 80.4 | Confident | 71.6 | Confident | 168 Ų | 168 | 95.4 Ų | 95.4 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 139.8 | 168.8 | -62.7 | -76.7 | 0 | 0 | 0 | 111.2 | N56 E59 | Y17-N56 WeakPolarHBondContact CD1-ND2 3.37Å; Y17-E59 WeakPolarHBondContact CA-OE1 3.42Å |
| 18 | Y | 86.2 | Confident | 74.2 | Confident | 43 Ų | 43 | 98.4 Ų | 98.4 | 17% | 0.169 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 138.7 | 171 | -72.8 | -87.8 | 0 | 0 | 0 | 110.4 | R13 E22 L23 I26 L53 L55 E59 | R13-Y18 VanDerWaalsContact NH1-CD2 3.26Å; Y18-E22 WeakPolarHBondContact CA-OE2 3.29Å; Y18-E22 HydrophobicContact CD1-CB 3.9Å; Y18-E22 WeakPolarHBondContact CD1-OE2 3.23Å; Y18-L23 HydrophobicContact CD2-CD2 4.42Å; Y18-L23 HydrophobicContact CG-CD2 4.06Å; Y18-I26 HydrophobicContact CD1-CD1 3.67Å; Y18-I26 HydrophobicContact CE1-CD1 3.62Å; Y18-I26 HydrophobicContact CG-CD1 4.33Å; Y18-L53 HydrophobicContact CE1-CD1 4.4Å; Y18-L53 HydrophobicContact CE2-CD1 4.38Å; Y18-L53 VanDerWaalsContact OH-CD1 3.23Å; Y18-L53 WeakPolarHBondContact OH-CD1 3.28Å; Y18-L55 HydrophobicContact CD2-CD2 3.54Å; Y18-L55 HydrophobicContact CE2-CD2 3.5Å; Y18-L55 VanDerWaalsContact CE2-CD2 3.5Å; Y18-L55 HydrophobicContact CG-CD2 4.37Å; Y18-E59 WeakPolarHBondContact CD2-OE1 3.39Å; Y18-E59 PolarHBondContact N-OE1 3.13Å |
| 19 | T | 91.7 | Very high | 76.8 | Confident | 57 Ų | 57 | 100.4 Ų | 100.4 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 159.7 | 169.7 | 71.1 | 0 | 0 | 0 | 0 | 109.9 | T21 E22 L23 | T19-T21 PolarHBondContact O-N 3.08Å; T19-T21 PolarHBondContact OG1-OG1 3.06Å; T19-T21 VanDerWaalsContact OG1-OG1 3.05Å; T19-E22 PolarHBondContact N-OE2 3.14Å; T19-E22 PolarHBondContact O-N 3.35Å; T19-E22 VanDerWaalsContact O-N 3.14Å; T19-E22 WeakPolarHBondContact OG1-CG 3.25Å; T19-E22 PolarHBondContact OG1-N 3.33Å; T19-L23 WeakPolarHBondContact O-CG 3.5Å; T19-L23 PolarHBondContact O-N 2.93Å |
| 20 | Y | 88.6 | Confident | 79.2 | Confident | 155 Ų | 155 | 94.9 Ų | 94.9 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.4 | -37.5 | 176.7 | 178.1 | -103.4 | 0 | 0 | 0 | 112.9 | L23 L24 | Y20-L23 PolarHBondContact O-N 2.96Å; Y20-L24 WeakPolarHBondContact O-CB 3.34Å; Y20-L24 PolarHBondContact O-N 3.41Å |
| 21 | T | 92.6 | Very high | 81.5 | Confident | 101 Ų | 101 | 91 Ų | 91 | 62% | 0.62 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.6 | -36.3 | 179 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | T19 L24 A25 | T19-T21 PolarHBondContact O-N 3.08Å; T19-T21 PolarHBondContact OG1-OG1 3.06Å; T19-T21 VanDerWaalsContact OG1-OG1 3.05Å; T21-L24 PolarHBondContact O-N 3.09Å; T21-A25 PolarHBondContact O-N 3.48Å |
| 22 | E | 93.1 | Very high | 83.9 | Confident | 64 Ų | 64 | 84.5 Ų | 84.5 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 172.7 | -68.3 | 176.1 | 147.4 | 0 | 0 | 111.2 | R13 Y18 T19 L24 A25 I26 | R13-E22 IonicContact CZ-OE2 3.83Å; R13-E22 IonicContact NH1-OE2 2.7Å; R13-E22 VanDerWaalsContact NH2-CD 3.28Å; R13-E22 IonicContact NH2-OE1 3.55Å; R13-E22 PolarHBondContact NH2-OE1 2.81Å; R13-E22 VanDerWaalsContact NH2-OE1 3.11Å; R13-E22 IonicContact NH2-OE2 3.25Å; R13-E22 PolarHBondContact NH2-OE2 3.42Å; Y18-E22 WeakPolarHBondContact CA-OE2 3.29Å; Y18-E22 HydrophobicContact CD1-CB 3.9Å; Y18-E22 WeakPolarHBondContact CD1-OE2 3.23Å; T19-E22 PolarHBondContact N-OE2 3.14Å; T19-E22 PolarHBondContact O-N 3.35Å; T19-E22 VanDerWaalsContact O-N 3.14Å; T19-E22 WeakPolarHBondContact OG1-CG 3.25Å; T19-E22 PolarHBondContact OG1-N 3.33Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.29Å; E22-A25 WeakPolarHBondContact O-CB 3.32Å; E22-A25 PolarHBondContact O-N 2.93Å; E22-A25 VanDerWaalsContact O-N 3.15Å; E22-I26 VanDerWaalsContact O-CG1 3.28Å; E22-I26 WeakPolarHBondContact O-CG1 3.44Å; E22-I26 PolarHBondContact O-N 3.42Å |
| 23 | L | 93.8 | Very high | 86.3 | Confident | 3 Ų | 3 | 85 Ų | 85 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.2 | -38 | 176.4 | -68.1 | 171.5 | 0 | 0 | 0 | 112 | Y18 T19 Y20 I26 S27 L55 E59 L62 L63 | Y18-L23 HydrophobicContact CD2-CD2 4.42Å; Y18-L23 HydrophobicContact CG-CD2 4.06Å; T19-L23 WeakPolarHBondContact O-CG 3.5Å; T19-L23 PolarHBondContact O-N 2.93Å; Y20-L23 PolarHBondContact O-N 2.96Å; L23-I26 HydrophobicContact CD2-CD1 4.48Å; L23-I26 PolarHBondContact O-N 3.47Å; L23-S27 VanDerWaalsContact O-CB 3.3Å; L23-S27 WeakPolarHBondContact O-CB 3.45Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-L55 HydrophobicContact CD2-CD2 4.03Å; L23-E59 HydrophobicContact CD1-CB 4.37Å; L23-E59 HydrophobicContact CD1-CG 4.17Å; L23-E59 HydrophobicContact CD2-CB 3.9Å; L23-E59 HydrophobicContact CD2-CG 4.16Å; L23-L62 HydrophobicContact CD1-CB 3.93Å; L23-L62 HydrophobicContact CD1-CD1 3.68Å; L23-L62 HydrophobicContact CD1-CG 4.47Å; L23-L63 HydrophobicContact CB-CD2 4.45Å; L23-L63 HydrophobicContact CD2-CD2 4.17Å |
| 24 | L | 93.7 | Very high | 88 | Confident | 58 Ų | 58 | 84.7 Ų | 84.7 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 174.2 | -177.7 | 61.6 | 0 | 0 | 0 | 111.8 | Y20 T21 E22 S27 R28 | Y20-L24 WeakPolarHBondContact O-CB 3.34Å; Y20-L24 PolarHBondContact O-N 3.41Å; T21-L24 PolarHBondContact O-N 3.09Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.29Å; L24-S27 PolarHBondContact O-N 3.18Å; L24-R28 WeakPolarHBondContact O-CB 3.45Å; L24-R28 VanDerWaalsContact O-CG 3.26Å; L24-R28 WeakPolarHBondContact O-CG 3.38Å; L24-R28 PolarHBondContact O-N 3.44Å |
| 25 | A | 94.8 | Very high | 90.2 | Very high | 59 Ų | 59 | 89.6 Ų | 89.6 | 49% | 0.488 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T21 E22 R28 R29 | T21-A25 PolarHBondContact O-N 3.48Å; E22-A25 WeakPolarHBondContact O-CB 3.32Å; E22-A25 PolarHBondContact O-N 2.93Å; E22-A25 VanDerWaalsContact O-N 3.15Å; A25-R28 PolarHBondContact O-N 3.17Å; A25-R29 WeakPolarHBondContact O-CB 3.11Å; A25-R29 PolarHBondContact O-N 2.96Å |
| 26 | I | 94.6 | Very high | 92.1 | Very high | 21 Ų | 21 | 83.4 Ų | 83.4 | 11% | 0.108 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60 | -51.8 | 173.7 | -70.8 | 164.3 | 0 | 0 | 0 | 110.2 | Y18 E22 L23 R28 R29 F30 L53 L63 | Y18-I26 HydrophobicContact CD1-CD1 3.67Å; Y18-I26 HydrophobicContact CE1-CD1 3.62Å; Y18-I26 HydrophobicContact CG-CD1 4.33Å; E22-I26 VanDerWaalsContact O-CG1 3.28Å; E22-I26 WeakPolarHBondContact O-CG1 3.44Å; E22-I26 PolarHBondContact O-N 3.42Å; L23-I26 HydrophobicContact CD2-CD1 4.48Å; L23-I26 PolarHBondContact O-N 3.47Å; I26-R28 VanDerWaalsContact C-N 3.33Å; I26-R28 PolarHBondContact O-N 2.84Å; I26-R29 PolarHBondContact O-N 2.88Å; I26-R29 VanDerWaalsContact O-N 3.15Å; I26-F30 HydrophobicContact CG2-CD2 3.88Å; I26-F30 HydrophobicContact CG2-CE2 4.29Å; I26-F30 WeakPolarHBondContact O-CD2 3.35Å; I26-F30 PolarHBondContact O-N 2.95Å; I26-L53 HydrophobicContact CD1-CD1 4.12Å; I26-L53 HydrophobicContact CD1-CD2 4.44Å; I26-L53 HydrophobicContact CG1-CD2 4.46Å; I26-L53 HydrophobicContact CG2-CD2 3.58Å; I26-L63 HydrophobicContact CB-CD2 4.2Å; I26-L63 HydrophobicContact CG2-CD2 3.72Å |
| 27 | S | 94.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 81 Ų | 81 | 12% | 0.119 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.6 | -49.3 | 179 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | L23 L24 R29 F30 K31 L63 | L23-S27 VanDerWaalsContact O-CB 3.3Å; L23-S27 WeakPolarHBondContact O-CB 3.45Å; L23-S27 PolarHBondContact O-N 2.91Å; L24-S27 PolarHBondContact O-N 3.18Å; S27-R29 PolarHBondContact O-N 3.32Å; S27-F30 PolarHBondContact O-N 2.72Å; S27-K31 WeakPolarHBondContact O-CB 3.39Å; S27-K31 PolarHBondContact O-N 2.83Å; S27-L63 WeakPolarHBondContact CB-O 3.41Å; S27-L63 PolarHBondContact OG-O 3.23Å |
| 28 | R | 94.4 | Very high | 93.8 | Very high | 179 Ų | 179 | 74.1 Ų | 74.1 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 177.9 | -72.6 | 171.2 | 179.5 | -178.5 | -0.8 | 112.9 | L24 A25 I26 | L24-R28 WeakPolarHBondContact O-CB 3.45Å; L24-R28 VanDerWaalsContact O-CG 3.26Å; L24-R28 WeakPolarHBondContact O-CG 3.38Å; L24-R28 PolarHBondContact O-N 3.44Å; A25-R28 PolarHBondContact O-N 3.17Å; I26-R28 VanDerWaalsContact C-N 3.33Å; I26-R28 PolarHBondContact O-N 2.84Å |
| 29 | R | 94.9 | Very high | 94.2 | Very high | 145 Ų | 145 | 76.1 Ų | 76.1 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 179.8 | 177.4 | 179.9 | 175.4 | 177.5 | -0.7 | 111.9 | A25 I26 S27 R44 Q48 | A25-R29 WeakPolarHBondContact O-CB 3.11Å; A25-R29 PolarHBondContact O-N 2.96Å; I26-R29 PolarHBondContact O-N 2.88Å; I26-R29 VanDerWaalsContact O-N 3.15Å; S27-R29 PolarHBondContact O-N 3.32Å; R29-R44 PolarHBondContact O-NH1 3.25Å; R29-Q48 PolarHBondContact NH2-O 3.05Å |
| 30 | F | 96 | Very high | 94.4 | Very high | 6 Ų | 6 | 76.8 Ų | 76.8 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -92.2 | 3.1 | -176 | -68.9 | -75.2 | 0 | 0 | 0 | 113.6 | I26 S27 W41 V45 Q48 L53 L87 | I26-F30 HydrophobicContact CG2-CD2 3.88Å; I26-F30 HydrophobicContact CG2-CE2 4.29Å; I26-F30 WeakPolarHBondContact O-CD2 3.35Å; I26-F30 PolarHBondContact O-N 2.95Å; S27-F30 PolarHBondContact O-N 2.72Å; F30-W41 WeakPolarHBondContact O-CZ2 3.35Å; F30-W41 PolarHBondContact O-NE1 3.27Å; F30-V45 HydrophobicContact CD1-CB 4.09Å; F30-V45 HydrophobicContact CD1-CG1 3.82Å; F30-V45 HydrophobicContact CD1-CG2 3.9Å; F30-V45 HydrophobicContact CE1-CB 4.44Å; F30-V45 HydrophobicContact CE1-CG1 4.02Å; F30-Q48 HydrophobicContact CD1-CB 4.49Å; F30-Q48 HydrophobicContact CE1-CB 3.68Å; F30-Q48 HydrophobicContact CZ-CB 4.21Å; F30-L53 HydrophobicContact CD2-CD2 4.25Å; F30-L53 HydrophobicContact CE2-CD2 3.68Å; F30-L53 HydrophobicContact CZ-CD2 4.35Å; F30-L87 HydrophobicContact CB-CD2 3.97Å; F30-L87 HydrophobicContact CD1-CD2 3.9Å; F30-L87 HydrophobicContact CD2-CD2 3.61Å; F30-L87 HydrophobicContact CE1-CD2 4.23Å; F30-L87 HydrophobicContact CE2-CD2 4Å; F30-L87 HydrophobicContact CG-CD2 3.55Å; F30-L87 HydrophobicContact CZ-CD2 4.28Å |
| 31 | K | 96.3 | Very high | 94.8 | Very high | 99 Ų | 99 | 69.4 Ų | 69.4 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -65.6 | 140.1 | 175.6 | -165.2 | 166.9 | -173.4 | 171 | 0 | 110.9 | S27 R44 | S27-K31 WeakPolarHBondContact O-CB 3.39Å; S27-K31 PolarHBondContact O-N 2.83Å; K31-R44 PolarHBondContact O-NH2 3.12Å |
| 32 | Q | 97.5 | Very high | 95 | Very high | 19 Ų | 19 | 65.5 Ų | 65.5 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 133.5 | 173.7 | -170.9 | -178.3 | 19.9 | 0 | 0 | 110.2 | E36 W41 L66 T67 | Q32-E36 HydrophobicContact CG-CB 4.07Å; Q32-E36 PolarHBondContact NE2-O 2.71Å; Q32-W41 HydrophobicContact CB-CD2 4.38Å; Q32-W41 HydrophobicContact CB-CG 4.03Å; Q32-W41 HydrophobicContact CG-CB 4.17Å; Q32-W41 HydrophobicContact CG-CG 4.02Å; Q32-L66 WeakPolarHBondContact CB-O 3.43Å; Q32-L66 PolarHBondContact N-O 3.47Å; Q32-T67 VanDerWaalsContact OE1-CA 3.31Å; Q32-T67 VanDerWaalsContact OE1-CB 3.29Å |
| 33 | N | 95.7 | Very high | 95.1 | Very high | 80 Ų | 80 | 67.3 Ų | 67.3 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 154.2 | 175.5 | -64.4 | -43.2 | 0 | 0 | 0 | 110.2 | N35 E36 R44 | N33-N35 PolarHBondContact O-N 2.83Å; N33-E36 HydrophobicContact CB-CB 4Å; N33-E36 PolarHBondContact N-OE2 3.01Å; N33-E36 VanDerWaalsContact O-CB 3.23Å; N33-E36 WeakPolarHBondContact O-CB 3.44Å; N33-E36 PolarHBondContact O-N 2.95Å; N33-E36 VanDerWaalsContact O-N 3.08Å; N33-R44 PolarHBondContact ND2-NH2 2.73Å |
| 34 | P | 93.8 | Very high | 95.3 | Very high | 101 Ų | 101 | 69 Ų | 69 | 66% | 0.656 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 134.7 | 171.3 | -23.8 | 33.8 | 0 | 0 | 0 | 111 | E36 | P34-E36 PolarHBondContact O-N 3.45Å; P34-E36 VanDerWaalsContact O-N 3.13Å |
| 35 | N | 92.9 | Very high | 95.5 | Very high | 169 Ų | 169 | 66.2 Ų | 66.2 | 90% | 0.904 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 7 | -178.1 | -50.1 | -44.1 | 0 | 0 | 0 | 115.9 | N33 L37 | N33-N35 PolarHBondContact O-N 2.83Å; N35-L37 PolarHBondContact O-N 3.46Å |
| 36 | E | 95.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 70 Ų | 70 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | trans | -73.4 | 126.9 | 173.9 | -172.8 | 174.1 | -146.6 | 0 | 0 | 109.7 | Q32 N33 P34 T40 W41 R44 | Q32-E36 HydrophobicContact CG-CB 4.07Å; Q32-E36 PolarHBondContact NE2-O 2.71Å; N33-E36 HydrophobicContact CB-CB 4Å; N33-E36 PolarHBondContact N-OE2 3.01Å; N33-E36 VanDerWaalsContact O-CB 3.23Å; N33-E36 WeakPolarHBondContact O-CB 3.44Å; N33-E36 PolarHBondContact O-N 2.95Å; N33-E36 VanDerWaalsContact O-N 3.08Å; P34-E36 PolarHBondContact O-N 3.45Å; P34-E36 VanDerWaalsContact O-N 3.13Å; E36-T40 HydrophobicContact CG-CG2 4.34Å; E36-W41 HydrophobicContact CG-CB 3.95Å; E36-R44 IonicContact OE1-CZ 3.29Å; E36-R44 IonicContact OE1-NE 3.42Å; E36-R44 PolarHBondContact OE1-NE 2.99Å; E36-R44 IonicContact OE1-NH2 3.01Å; E36-R44 IonicContact OE2-CZ 3.67Å; E36-R44 IonicContact OE2-NE 2.81Å; E36-R44 IonicContact OE2-NH2 3.59Å; E36-R44 PolarHBondContact OE2-NH2 3.15Å | ||
| 37 | L | 95.1 | Very high | 95.6 | Very high | 127 Ų | 127 | 75 Ų | 75 | 67% | 0.665 | 37% | 0.369 | S | S | * | . | trans | -64.8 | 143.8 | 173.5 | -63.3 | 175.9 | 0 | 0 | 0 | 110 | N35 V39 T40 W41 | N35-L37 PolarHBondContact O-N 3.46Å; L37-V39 VanDerWaalsContact C-N 3.29Å; L37-V39 PolarHBondContact O-N 2.84Å; L37-T40 WeakPolarHBondContact O-CB 3.37Å; L37-T40 PolarHBondContact O-N 3.24Å; L37-T40 VanDerWaalsContact O-N 3.12Å; L37-W41 PolarHBondContact O-N 2.89Å | ||
| 38 | M | 94.4 | Very high | 95.6 | Very high | 25 Ų | 25 | 77.3 Ų | 77.3 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.8 | -40 | -178.9 | -96.1 | -125.1 | 65.4 | 0 | 0 | 113.5 | W41 I42 T67 F72 W95 W99 | M38-W41 HydrophobicContact CE-CD2 4.45Å; M38-W41 HydrophobicContact CE-CE3 3.27Å; M38-W41 HydrophobicContact CE-CZ3 3.32Å; M38-W41 WeakPolarHBondContact O-CB 3.42Å; M38-W41 PolarHBondContact O-N 2.9Å; M38-I42 HydrophobicContact CE-CD1 4.34Å; M38-I42 HydrophobicContact CE-CG1 4.26Å; M38-I42 PolarHBondContact O-N 3.45Å; M38-T67 HydrophobicContact CE-CG2 4Å; M38-F72 HydrophobicContact CE-CD1 4.08Å; M38-F72 HydrophobicContact CE-CD2 4.43Å; M38-F72 HydrophobicContact CE-CE1 3.86Å; M38-F72 HydrophobicContact CE-CE2 4.18Å; M38-F72 HydrophobicContact CE-CG 4.34Å; M38-F72 HydrophobicContact CE-CZ 3.9Å; M38-F72 HydrophobicContact SD-CB 4.45Å; M38-F72 HydrophobicContact SD-CD1 4.26Å; M38-F72 HydrophobicContact SD-CD2 4.29Å; M38-F72 HydrophobicContact SD-CG 4.07Å; M38-W95 HydrophobicContact CB-CH2 4.03Å; M38-W95 HydrophobicContact CB-CZ3 3.61Å; M38-W95 HydrophobicContact CE-CE3 3.99Å; M38-W95 HydrophobicContact CE-CZ3 3.86Å; M38-W95 HydrophobicContact CG-CZ3 4.19Å; M38-W95 HydrophobicContact SD-CE3 4.1Å; M38-W95 HydrophobicContact SD-CZ3 3.63Å; M38-W99 HydrophobicContact SD-CH2 4.21Å |
| 39 | V | 94.2 | Very high | 95.6 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | L37 W41 I42 L43 W95 | L37-V39 VanDerWaalsContact C-N 3.29Å; L37-V39 PolarHBondContact O-N 2.84Å; V39-W41 VanDerWaalsContact C-N 3.28Å; V39-W41 PolarHBondContact O-N 3.24Å; V39-I42 PolarHBondContact O-N 2.94Å; V39-L43 HydrophobicContact CG1-CD1 4.39Å; V39-L43 WeakPolarHBondContact O-CG 3.46Å; V39-L43 PolarHBondContact O-N 3.42Å; V39-W95 HydrophobicContact CG2-CH2 3.78Å; V39-W95 HydrophobicContact CG2-CZ2 3.95Å |
| 40 | T | 96.5 | Very high | 95.5 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 175.2 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | E36 L37 L43 R44 | E36-T40 HydrophobicContact CG-CG2 4.34Å; L37-T40 WeakPolarHBondContact O-CB 3.37Å; L37-T40 PolarHBondContact O-N 3.24Å; L37-T40 VanDerWaalsContact O-N 3.12Å; T40-L43 PolarHBondContact O-N 3.39Å; T40-R44 PolarHBondContact O-N 3.35Å |
| 41 | W | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.1 | 172.3 | 69.8 | 0 | 0 | 0 | 112.6 | F30 Q32 E36 L37 M38 V39 L43 R44 V45 L66 T67 F72 L91 | F30-W41 WeakPolarHBondContact O-CZ2 3.35Å; F30-W41 PolarHBondContact O-NE1 3.27Å; Q32-W41 HydrophobicContact CB-CD2 4.38Å; Q32-W41 HydrophobicContact CB-CG 4.03Å; Q32-W41 HydrophobicContact CG-CB 4.17Å; Q32-W41 HydrophobicContact CG-CG 4.02Å; E36-W41 HydrophobicContact CG-CB 3.95Å; L37-W41 PolarHBondContact O-N 2.89Å; M38-W41 HydrophobicContact CE-CD2 4.45Å; M38-W41 HydrophobicContact CE-CE3 3.27Å; M38-W41 HydrophobicContact CE-CZ3 3.32Å; M38-W41 WeakPolarHBondContact O-CB 3.42Å; M38-W41 PolarHBondContact O-N 2.9Å; V39-W41 VanDerWaalsContact C-N 3.28Å; V39-W41 PolarHBondContact O-N 3.24Å; W41-L43 VanDerWaalsContact C-N 3.34Å; W41-L43 PolarHBondContact O-N 3.43Å; W41-R44 WeakPolarHBondContact O-CB 3.47Å; W41-R44 PolarHBondContact O-N 3.09Å; W41-V45 HydrophobicContact CD2-CG2 4.28Å; W41-V45 HydrophobicContact CZ2-CG2 4.04Å; W41-V45 WeakPolarHBondContact O-CG2 3.5Å; W41-V45 PolarHBondContact O-N 2.97Å; W41-L66 HydrophobicContact CH2-CB 4.27Å; W41-L66 HydrophobicContact CZ2-CB 3.83Å; W41-L66 HydrophobicContact CZ2-CD1 4.44Å; W41-T67 HydrophobicContact CD2-CG2 4.31Å; W41-T67 HydrophobicContact CE3-CG2 3.97Å; W41-T67 HydrophobicContact CH2-CG2 3.44Å; W41-T67 VanDerWaalsContact CH2-CG2 3.44Å; W41-T67 HydrophobicContact CZ2-CG2 3.87Å; W41-T67 HydrophobicContact CZ3-CG2 3.52Å; W41-F72 AromaticContact CH2-CE1 4Å; W41-F72 HydrophobicContact CH2-CE1 4Å; W41-F72 AromaticContact CZ3-CE1 3.77Å; W41-F72 HydrophobicContact CZ3-CE1 3.77Å; W41-F72 HydrophobicContact CZ3-CZ 4.09Å; W41-L91 HydrophobicContact CH2-CD1 3.53Å; W41-L91 HydrophobicContact CH2-CD2 3.61Å; W41-L91 HydrophobicContact CH2-CG 4.14Å; W41-L91 HydrophobicContact CZ2-CD1 4.07Å; W41-L91 HydrophobicContact CZ3-CD1 4.09Å; W41-L91 HydrophobicContact CZ3-CD2 4.25Å |
| 42 | I | 95.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.9 | -72.6 | -164.5 | 0 | 0 | 0 | 111.3 | M38 V39 R44 V45 Y46 L88 L92 W95 | M38-I42 HydrophobicContact CE-CD1 4.34Å; M38-I42 HydrophobicContact CE-CG1 4.26Å; M38-I42 PolarHBondContact O-N 3.45Å; V39-I42 PolarHBondContact O-N 2.94Å; I42-R44 VanDerWaalsContact C-N 3.32Å; I42-R44 PolarHBondContact O-N 3.22Å; I42-V45 WeakPolarHBondContact O-CB 3.35Å; I42-V45 PolarHBondContact O-N 3.03Å; I42-Y46 PolarHBondContact O-N 3.43Å; I42-L88 HydrophobicContact CG2-CD1 4.01Å; I42-L92 HydrophobicContact CD1-CD2 4.31Å; I42-L92 HydrophobicContact CG2-CD2 4.01Å; I42-W95 HydrophobicContact CD1-CB 4.38Å; I42-W95 HydrophobicContact CD1-CD2 4.12Å; I42-W95 HydrophobicContact CD1-CE3 3.85Å; I42-W95 HydrophobicContact CD1-CG 4.4Å |
| 43 | L | 96.4 | Very high | 95 | Very high | 102 Ų | 102 | 65 Ų | 65 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 175.4 | -69.2 | 173.6 | 0 | 0 | 0 | 111.4 | V39 T40 W41 V45 Y46 D47 | V39-L43 HydrophobicContact CG1-CD1 4.39Å; V39-L43 WeakPolarHBondContact O-CG 3.46Å; V39-L43 PolarHBondContact O-N 3.42Å; T40-L43 PolarHBondContact O-N 3.39Å; W41-L43 VanDerWaalsContact C-N 3.34Å; W41-L43 PolarHBondContact O-N 3.43Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 3.29Å; L43-Y46 WeakPolarHBondContact O-CB 3.26Å; L43-Y46 PolarHBondContact O-N 3.37Å; L43-Y46 VanDerWaalsContact O-N 3.14Å; L43-D47 PolarHBondContact O-N 3.47Å |
| 44 | R | 97.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 64.5 Ų | 64.5 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 173.7 | -177 | 173.4 | 62.5 | 92.6 | -13 | 112.2 | R29 K31 N33 E36 T40 W41 I42 Y46 D47 Q48 | R29-R44 PolarHBondContact O-NH1 3.25Å; K31-R44 PolarHBondContact O-NH2 3.12Å; N33-R44 PolarHBondContact ND2-NH2 2.73Å; E36-R44 IonicContact OE1-CZ 3.29Å; E36-R44 IonicContact OE1-NE 3.42Å; E36-R44 PolarHBondContact OE1-NE 2.99Å; E36-R44 IonicContact OE1-NH2 3.01Å; E36-R44 IonicContact OE2-CZ 3.67Å; E36-R44 IonicContact OE2-NE 2.81Å; E36-R44 IonicContact OE2-NH2 3.59Å; E36-R44 PolarHBondContact OE2-NH2 3.15Å; T40-R44 PolarHBondContact O-N 3.35Å; W41-R44 WeakPolarHBondContact O-CB 3.47Å; W41-R44 PolarHBondContact O-N 3.09Å; I42-R44 VanDerWaalsContact C-N 3.32Å; I42-R44 PolarHBondContact O-N 3.22Å; R44-Y46 VanDerWaalsContact C-N 3.31Å; R44-D47 PolarHBondContact O-N 2.91Å; R44-Q48 HydrophobicContact CG-CG 4.19Å; R44-Q48 VanDerWaalsContact O-CB 3.29Å; R44-Q48 WeakPolarHBondContact O-CB 3.33Å; R44-Q48 VanDerWaalsContact O-CG 3.25Å; R44-Q48 WeakPolarHBondContact O-CG 3.47Å; R44-Q48 PolarHBondContact O-N 3.42Å |
| 45 | V | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | F30 W41 I42 L43 G49 G50 L87 L88 L91 | F30-V45 HydrophobicContact CD1-CB 4.09Å; F30-V45 HydrophobicContact CD1-CG1 3.82Å; F30-V45 HydrophobicContact CD1-CG2 3.9Å; F30-V45 HydrophobicContact CE1-CB 4.44Å; F30-V45 HydrophobicContact CE1-CG1 4.02Å; W41-V45 HydrophobicContact CD2-CG2 4.28Å; W41-V45 HydrophobicContact CZ2-CG2 4.04Å; W41-V45 WeakPolarHBondContact O-CG2 3.5Å; W41-V45 PolarHBondContact O-N 2.97Å; I42-V45 WeakPolarHBondContact O-CB 3.35Å; I42-V45 PolarHBondContact O-N 3.03Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 3.29Å; V45-G49 PolarHBondContact O-N 3.25Å; V45-G50 WeakPolarHBondContact O-CA 3.14Å; V45-G50 PolarHBondContact O-N 3.18Å; V45-L87 HydrophobicContact CG1-CD2 4.09Å; V45-L87 HydrophobicContact CG1-CG 4.34Å; V45-L88 HydrophobicContact CG1-CD1 4.25Å; V45-L91 HydrophobicContact CG1-CD1 3.97Å; V45-L91 HydrophobicContact CG2-CD1 4.21Å |
| 46 | Y | 95.9 | Very high | 94.3 | Very high | 138 Ų | 138 | 53.3 Ų | 53.3 | 54% | 0.541 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.4 | -55 | 174 | 177.3 | -87.6 | 0 | 0 | 0 | 111.2 | I42 L43 R44 Q48 G49 P51 L88 | I42-Y46 PolarHBondContact O-N 3.43Å; L43-Y46 WeakPolarHBondContact O-CB 3.26Å; L43-Y46 PolarHBondContact O-N 3.37Å; L43-Y46 VanDerWaalsContact O-N 3.14Å; R44-Y46 VanDerWaalsContact C-N 3.31Å; Y46-Q48 VanDerWaalsContact C-N 3.29Å; Y46-Q48 PolarHBondContact O-N 2.96Å; Y46-G49 PolarHBondContact O-N 2.78Å; Y46-G49 VanDerWaalsContact O-N 3.09Å; Y46-P51 HydrophobicContact CD2-CG 3.75Å; Y46-P51 HydrophobicContact CE2-CG 4.01Å; Y46-P51 HydrophobicContact CG-CG 4.44Å; Y46-P51 WeakPolarHBondContact O-CD 3.46Å; Y46-L88 HydrophobicContact CD2-CD2 3.52Å; Y46-L88 HydrophobicContact CE2-CD2 4.43Å; Y46-L88 HydrophobicContact CG-CD2 4.32Å |
| 47 | D | 96.1 | Very high | 93.9 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 68% | 0.679 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.6 | -33.8 | -176.9 | -68.3 | -23.8 | 0 | 0 | 0 | 113 | L43 R44 G49 | L43-D47 PolarHBondContact O-N 3.47Å; R44-D47 PolarHBondContact O-N 2.91Å; D47-G49 PolarHBondContact O-N 3.31Å |
| 48 | Q | 95.2 | Very high | 93.5 | Very high | 64 Ų | 64 | 50 Ų | 50 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 6.2 | 179.6 | -69.3 | -175.3 | 5.6 | 0 | 0 | 113.8 | R29 F30 R44 Y46 | R29-Q48 PolarHBondContact NH2-O 3.05Å; F30-Q48 HydrophobicContact CD1-CB 4.49Å; F30-Q48 HydrophobicContact CE1-CB 3.68Å; F30-Q48 HydrophobicContact CZ-CB 4.21Å; R44-Q48 HydrophobicContact CG-CG 4.19Å; R44-Q48 VanDerWaalsContact O-CB 3.29Å; R44-Q48 WeakPolarHBondContact O-CB 3.33Å; R44-Q48 VanDerWaalsContact O-CG 3.25Å; R44-Q48 WeakPolarHBondContact O-CG 3.47Å; R44-Q48 PolarHBondContact O-N 3.42Å; Y46-Q48 VanDerWaalsContact C-N 3.29Å; Y46-Q48 PolarHBondContact O-N 2.96Å |
| 49 | G | 94.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 20.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V45 Y46 D47 P51 A52 L53 | V45-G49 PolarHBondContact O-N 3.25Å; Y46-G49 PolarHBondContact O-N 2.78Å; Y46-G49 VanDerWaalsContact O-N 3.09Å; D47-G49 PolarHBondContact O-N 3.31Å; G49-P51 VanDerWaalsContact C-N 3.27Å; G49-A52 PolarHBondContact O-N 3.33Å; G49-L53 PolarHBondContact O-N 2.96Å |
| 50 | G | 93.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -35.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V45 A52 L53 L87 L88 | V45-G50 WeakPolarHBondContact O-CA 3.14Å; V45-G50 PolarHBondContact O-N 3.18Å; G50-A52 VanDerWaalsContact C-N 3.31Å; G50-A52 PolarHBondContact O-N 3.32Å; G50-L53 PolarHBondContact O-N 2.8Å; G50-L87 PolarHBondContact O-N 3.36Å; G50-L88 PolarHBondContact O-N 3.02Å |
| 51 | P | 94.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 34% | 0.344 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.4 | 174 | -19.8 | 28.8 | 0 | 0 | 0 | 114.5 | Y46 G49 T86 L88 | Y46-P51 HydrophobicContact CD2-CG 3.75Å; Y46-P51 HydrophobicContact CE2-CG 4.01Å; Y46-P51 HydrophobicContact CG-CG 4.44Å; Y46-P51 WeakPolarHBondContact O-CD 3.46Å; G49-P51 VanDerWaalsContact C-N 3.27Å; P51-T86 WeakPolarHBondContact O-CB 3.34Å; P51-T86 WeakPolarHBondContact O-CG2 3.29Å; P51-L88 HydrophobicContact CG-CB 4.4Å; P51-L88 HydrophobicContact CG-CD2 3.68Å |
| 52 | A | 91.9 | Very high | 92.2 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 73% | 0.727 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -13.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G49 G50 S54 | G49-A52 PolarHBondContact O-N 3.33Å; G50-A52 VanDerWaalsContact C-N 3.31Å; G50-A52 PolarHBondContact O-N 3.32Å; A52-S54 PolarHBondContact O-N 3.25Å |
| 53 | L | 91.8 | Very high | 92 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | trans | -87.3 | 88 | -177.1 | -177.5 | 62 | 0 | 0 | 0 | 110.8 | Y18 I26 F30 G49 G50 L55 T86 L87 | Y18-L53 HydrophobicContact CE1-CD1 4.4Å; Y18-L53 HydrophobicContact CE2-CD1 4.38Å; Y18-L53 VanDerWaalsContact OH-CD1 3.23Å; Y18-L53 WeakPolarHBondContact OH-CD1 3.28Å; I26-L53 HydrophobicContact CD1-CD1 4.12Å; I26-L53 HydrophobicContact CD1-CD2 4.44Å; I26-L53 HydrophobicContact CG1-CD2 4.46Å; I26-L53 HydrophobicContact CG2-CD2 3.58Å; F30-L53 HydrophobicContact CD2-CD2 4.25Å; F30-L53 HydrophobicContact CE2-CD2 3.68Å; F30-L53 HydrophobicContact CZ-CD2 4.35Å; G49-L53 PolarHBondContact O-N 2.96Å; G50-L53 PolarHBondContact O-N 2.8Å; L53-L55 HydrophobicContact CD1-CD2 4.36Å; L53-L55 HydrophobicContact CD2-CD1 4.28Å; L53-L55 HydrophobicContact CG-CD1 4.22Å; L53-L55 HydrophobicContact CG-CG 4.18Å; L53-T86 CarbonylContact O-C 3.5Å; L53-T86 VanDerWaalsContact O-CA 3.29Å; L53-T86 WeakPolarHBondContact O-CA 3.47Å; L53-L87 HydrophobicContact CB-CB 4.31Å; L53-L87 HydrophobicContact CD2-CB 4.11Å; L53-L87 HydrophobicContact CD2-CD2 3.86Å; L53-L87 HydrophobicContact CG-CB 4.36Å; L53-L87 PolarHBondContact O-N 3.44Å | ||
| 54 | S | 91 | Very high | 91.7 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.2 | 172.5 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | A52 | A52-S54 PolarHBondContact O-N 3.25Å |
| 55 | L | 89.5 | Confident | 91.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145.1 | 179.3 | -63.4 | 166.4 | 0 | 0 | 0 | 109.4 | Y18 L23 L53 E59 L60 L63 C84 Q85 L87 | Y18-L55 HydrophobicContact CD2-CD2 3.54Å; Y18-L55 HydrophobicContact CE2-CD2 3.5Å; Y18-L55 VanDerWaalsContact CE2-CD2 3.5Å; Y18-L55 HydrophobicContact CG-CD2 4.37Å; L23-L55 HydrophobicContact CD2-CD2 4.03Å; L53-L55 HydrophobicContact CD1-CD2 4.36Å; L53-L55 HydrophobicContact CD2-CD1 4.28Å; L53-L55 HydrophobicContact CG-CD1 4.22Å; L53-L55 HydrophobicContact CG-CG 4.18Å; L55-E59 WeakPolarHBondContact CA-OE2 3.49Å; L55-E59 HydrophobicContact CB-CB 4.13Å; L55-E59 HydrophobicContact CD2-CB 4.05Å; L55-L60 HydrophobicContact CB-CD2 3.85Å; L55-L60 HydrophobicContact CB-CG 3.78Å; L55-L60 HydrophobicContact CD1-CD2 3.64Å; L55-L60 HydrophobicContact CD1-CG 4.39Å; L55-L60 HydrophobicContact CG-CD2 4.4Å; L55-L63 HydrophobicContact CD1-CD1 3.69Å; L55-L63 HydrophobicContact CD1-CG 4.43Å; L55-C84 WeakPolarHBondContact O-CA 3.23Å; L55-Q85 PolarHBondContact N-O 2.7Å; L55-Q85 PolarHBondContact O-N 3.41Å; L55-Q85 VanDerWaalsContact O-O 3.07Å; L55-L87 HydrophobicContact CD1-CB 4.43Å; L55-L87 HydrophobicContact CD1-CD1 4.43Å |
| 56 | N | 88.8 | Confident | 91.4 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 168.6 | 170.4 | 70 | 60.4 | 0 | 0 | 0 | 111.6 | Y17 G58 E59 L60 | Y17-N56 WeakPolarHBondContact CD1-ND2 3.37Å; N56-G58 VanDerWaalsContact C-N 3.26Å; N56-G58 PolarHBondContact O-N 3.01Å; N56-G58 WeakPolarHBondContact OD1-CA 3.4Å; N56-G58 PolarHBondContact OD1-N 3.42Å; N56-E59 PolarHBondContact N-OE2 2.81Å; N56-E59 WeakPolarHBondContact ND2-CG 3.3Å; N56-E59 PolarHBondContact ND2-OE1 3.46Å; N56-E59 PolarHBondContact ND2-OE2 2.83Å; N56-E59 VanDerWaalsContact ND2-OE2 3.11Å; N56-E59 PolarHBondContact O-N 2.96Å; N56-E59 PolarHBondContact OD1-N 2.92Å; N56-L60 WeakPolarHBondContact O-CG 3.43Å; N56-L60 PolarHBondContact O-N 3.21Å |
| 57 | S | 85.5 | Confident | 91.4 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.2 | -35.1 | -178.8 | 61.6 | 0 | 0 | 0 | 0 | 114.1 | G61 G83 | S57-G61 PolarHBondContact O-N 3.29Å; S57-G61 VanDerWaalsContact O-N 3.16Å; S57-G83 PolarHBondContact N-O 3.18Å |
| 58 | G | 87.1 | Confident | 91.2 | Very high | 39 Ų | 39 | 39 Ų | 39 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.8 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N56 G61 L62 | N56-G58 VanDerWaalsContact C-N 3.26Å; N56-G58 PolarHBondContact O-N 3.01Å; N56-G58 WeakPolarHBondContact OD1-CA 3.4Å; N56-G58 PolarHBondContact OD1-N 3.42Å; G58-G61 WeakPolarHBondContact O-CA 3.48Å; G58-G61 PolarHBondContact O-N 2.84Å; G58-G61 VanDerWaalsContact O-N 3.07Å; G58-L62 WeakPolarHBondContact O-CG 3.34Å; G58-L62 PolarHBondContact O-N 3.42Å; G58-L62 VanDerWaalsContact O-N 3.09Å |
| 59 | E | 90.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 177.7 | -71.6 | 170 | 162.4 | 0 | 0 | 112.1 | Y17 Y18 L23 L55 N56 G61 L62 L63 | Y17-E59 WeakPolarHBondContact CA-OE1 3.42Å; Y18-E59 WeakPolarHBondContact CD2-OE1 3.39Å; Y18-E59 PolarHBondContact N-OE1 3.13Å; L23-E59 HydrophobicContact CD1-CB 4.37Å; L23-E59 HydrophobicContact CD1-CG 4.17Å; L23-E59 HydrophobicContact CD2-CB 3.9Å; L23-E59 HydrophobicContact CD2-CG 4.16Å; L55-E59 WeakPolarHBondContact CA-OE2 3.49Å; L55-E59 HydrophobicContact CB-CB 4.13Å; L55-E59 HydrophobicContact CD2-CB 4.05Å; N56-E59 PolarHBondContact N-OE2 2.81Å; N56-E59 WeakPolarHBondContact ND2-CG 3.3Å; N56-E59 PolarHBondContact ND2-OE1 3.46Å; N56-E59 PolarHBondContact ND2-OE2 2.83Å; N56-E59 VanDerWaalsContact ND2-OE2 3.11Å; N56-E59 PolarHBondContact O-N 2.96Å; N56-E59 PolarHBondContact OD1-N 2.92Å; E59-G61 PolarHBondContact O-N 2.98Å; E59-L62 WeakPolarHBondContact O-CB 3.28Å; E59-L62 PolarHBondContact O-N 3.29Å; E59-L63 PolarHBondContact O-N 3.07Å |
| 60 | L | 89.6 | Confident | 91 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 172.4 | -70.7 | 168.7 | 0 | 0 | 0 | 111.5 | L55 N56 L62 L63 Q85 L87 W90 | L55-L60 HydrophobicContact CB-CD2 3.85Å; L55-L60 HydrophobicContact CB-CG 3.78Å; L55-L60 HydrophobicContact CD1-CD2 3.64Å; L55-L60 HydrophobicContact CD1-CG 4.39Å; L55-L60 HydrophobicContact CG-CD2 4.4Å; N56-L60 WeakPolarHBondContact O-CG 3.43Å; N56-L60 PolarHBondContact O-N 3.21Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 PolarHBondContact O-N 3.31Å; L60-L63 HydrophobicContact CD2-CD1 4.21Å; L60-L63 PolarHBondContact O-N 3.07Å; L60-Q85 HydrophobicContact CD1-CG 3.5Å; L60-Q85 VanDerWaalsContact CD1-CG 3.5Å; L60-Q85 VanDerWaalsContact CD1-NE2 3.34Å; L60-L87 HydrophobicContact CD2-CD1 4.38Å; L60-W90 HydrophobicContact CB-CZ2 4.34Å; L60-W90 HydrophobicContact CD1-CB 4.39Å; L60-W90 HydrophobicContact CD1-CD2 4.35Å; L60-W90 HydrophobicContact CD1-CG 4.04Å; L60-W90 HydrophobicContact CD2-CB 4.39Å; L60-W90 HydrophobicContact CD2-CD2 3.79Å; L60-W90 HydrophobicContact CD2-CE3 3.75Å; L60-W90 HydrophobicContact CD2-CG 4.12Å; L60-W90 HydrophobicContact CD2-CZ3 4.21Å; L60-W90 HydrophobicContact CG-CD2 4.49Å |
| 61 | G | 86.1 | Confident | 90.9 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -30.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | S57 G58 E59 R80 | S57-G61 PolarHBondContact O-N 3.29Å; S57-G61 VanDerWaalsContact O-N 3.16Å; G58-G61 WeakPolarHBondContact O-CA 3.48Å; G58-G61 PolarHBondContact O-N 2.84Å; G58-G61 VanDerWaalsContact O-N 3.07Å; E59-G61 PolarHBondContact O-N 2.98Å; G61-R80 VanDerWaalsContact CA-NH2 3.27Å; G61-R80 PolarHBondContact O-NH2 2.96Å |
| 62 | L | 90.2 | Very high | 90.9 | Very high | 101 Ų | 101 | 41.4 Ų | 41.4 | 53% | 0.529 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -84.4 | -15.4 | -179.5 | -69.7 | 172.3 | 0 | 0 | 0 | 113.7 | L23 G58 E59 L60 G64 | L23-L62 HydrophobicContact CD1-CB 3.93Å; L23-L62 HydrophobicContact CD1-CD1 3.68Å; L23-L62 HydrophobicContact CD1-CG 4.47Å; G58-L62 WeakPolarHBondContact O-CG 3.34Å; G58-L62 PolarHBondContact O-N 3.42Å; G58-L62 VanDerWaalsContact O-N 3.09Å; E59-L62 WeakPolarHBondContact O-CB 3.28Å; E59-L62 PolarHBondContact O-N 3.29Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 PolarHBondContact O-N 3.31Å; L62-G64 PolarHBondContact O-N 3.45Å |
| 63 | L | 90.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.1 | 175.2 | -67.6 | -174.6 | 0 | 0 | 0 | 113.4 | L23 I26 S27 L55 E59 L60 L66 L87 | L23-L63 HydrophobicContact CB-CD2 4.45Å; L23-L63 HydrophobicContact CD2-CD2 4.17Å; I26-L63 HydrophobicContact CB-CD2 4.2Å; I26-L63 HydrophobicContact CG2-CD2 3.72Å; S27-L63 WeakPolarHBondContact CB-O 3.41Å; S27-L63 PolarHBondContact OG-O 3.23Å; L55-L63 HydrophobicContact CD1-CD1 3.69Å; L55-L63 HydrophobicContact CD1-CG 4.43Å; E59-L63 PolarHBondContact O-N 3.07Å; L60-L63 HydrophobicContact CD2-CD1 4.21Å; L60-L63 PolarHBondContact O-N 3.07Å; L63-L66 HydrophobicContact CB-CD2 4.37Å; L63-L66 HydrophobicContact CD1-CD1 4.35Å; L63-L87 HydrophobicContact CD1-CD1 3.73Å |
| 64 | G | 89.6 | Confident | 90.9 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 34% | 0.34 | 26% | 0.259 | S | S | . | . | trans | 70.3 | -150.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L62 | L62-G64 PolarHBondContact O-N 3.45Š| ||
| 65 | D | 93.7 | Very high | 90.9 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | trans | -88 | 113.1 | -178.9 | -68.1 | -25.9 | 0 | 0 | 0 | 110.5 | N73 K77 | D65-N73 WeakPolarHBondContact OD1-CB 3.46Å; D65-K77 VanDerWaalsContact CG-NZ 3.34Å; D65-K77 WeakPolarHBondContact OD1-CE 3.47Å; D65-K77 IonicContact OD1-NZ 3.76Å; D65-K77 PolarHBondContact OD1-NZ 3.49Å; D65-K77 IonicContact OD2-NZ 3.11Å; D65-K77 PolarHBondContact OD2-NZ 3.15Å | ||
| 66 | L | 94.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | trans | -90.7 | -19.8 | -178.6 | -60.8 | -179.2 | 0 | 0 | 0 | 112.9 | Q32 W41 L63 L87 W90 L91 | Q32-L66 WeakPolarHBondContact CB-O 3.43Å; Q32-L66 PolarHBondContact N-O 3.47Å; W41-L66 HydrophobicContact CH2-CB 4.27Å; W41-L66 HydrophobicContact CZ2-CB 3.83Å; W41-L66 HydrophobicContact CZ2-CD1 4.44Å; L63-L66 HydrophobicContact CB-CD2 4.37Å; L63-L66 HydrophobicContact CD1-CD1 4.35Å; L66-L87 HydrophobicContact CD1-CD1 4.18Å; L66-W90 HydrophobicContact CD1-CZ3 4.07Å; L66-L91 HydrophobicContact CD1-CD2 4.46Å | ||
| 67 | T | 94.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -119.9 | 166.7 | -177.6 | 73.8 | 0 | 0 | 0 | 0 | 111.5 | Q32 M38 W41 D69 F72 N73 | Q32-T67 VanDerWaalsContact OE1-CA 3.31Å; Q32-T67 VanDerWaalsContact OE1-CB 3.29Å; M38-T67 HydrophobicContact CE-CG2 4Å; W41-T67 HydrophobicContact CD2-CG2 4.31Å; W41-T67 HydrophobicContact CE3-CG2 3.97Å; W41-T67 HydrophobicContact CH2-CG2 3.44Å; W41-T67 VanDerWaalsContact CH2-CG2 3.44Å; W41-T67 HydrophobicContact CZ2-CG2 3.87Å; W41-T67 HydrophobicContact CZ3-CG2 3.52Å; T67-D69 VanDerWaalsContact C-N 3.27Å; T67-D69 PolarHBondContact OG1-N 3.18Å; T67-D69 PolarHBondContact OG1-O 3.42Å; T67-F72 HydrophobicContact CG2-CD1 3.56Å; T67-F72 HydrophobicContact CG2-CE1 3.7Å; T67-N73 PolarHBondContact N-OD1 2.99Å; T67-N73 PolarHBondContact O-ND2 3.13Å; T67-N73 VanDerWaalsContact OG1-CG 3.32Å; T67-N73 PolarHBondContact OG1-ND2 3.37Å; T67-N73 PolarHBondContact OG1-OD1 3.41Å |
| 68 | H | 92.7 | Very high | 91 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -81.1 | -7.9 | 169.6 | -60.7 | -67.4 | 0 | 0 | 0 | 112.8 | A70 | H68-A70 PolarHBondContact O-N 3.26Š|
| 69 | D | 93.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 17% | 0.171 | 26% | 0.255 | C | S | . | . | trans | -88.3 | 105.8 | -179.6 | -175 | -31.3 | 0 | 0 | 0 | 110.7 | T67 I71 F72 N73 R98 | T67-D69 VanDerWaalsContact C-N 3.27Å; T67-D69 PolarHBondContact OG1-N 3.18Å; T67-D69 PolarHBondContact OG1-O 3.42Å; D69-I71 VanDerWaalsContact C-N 3.28Å; D69-I71 PolarHBondContact O-N 2.91Å; D69-I71 PolarHBondContact OD1-N 3.15Å; D69-F72 HydrophobicContact CB-CB 3.85Å; D69-F72 PolarHBondContact O-N 3.48Å; D69-F72 PolarHBondContact OD1-N 2.87Å; D69-N73 WeakPolarHBondContact O-CB 3.4Å; D69-N73 VanDerWaalsContact O-CG 3.25Å; D69-N73 PolarHBondContact O-N 3.37Å; D69-N73 PolarHBondContact O-ND2 3.4Å; D69-R98 IonicContact OD1-CZ 2.83Å; D69-R98 IonicContact OD1-NE 2.71Å; D69-R98 PolarHBondContact OD1-NE 2.93Å; D69-R98 IonicContact OD1-NH2 3.51Å; D69-R98 PolarHBondContact OD1-NH2 3.05Å; D69-R98 IonicContact OD2-CZ 3.65Å; D69-R98 VanDerWaalsContact OD2-CZ 3.25Å; D69-R98 IonicContact OD2-NE 3.45Å; D69-R98 PolarHBondContact OD2-NE 3.25Å; D69-R98 IonicContact OD2-NH2 3.56Å; D69-R98 PolarHBondContact OD2-NH2 3.16Å | ||
| 70 | A | 91.9 | Very high | 89.9 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 63% | 0.628 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61 | -34.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H68 Y74 | H68-A70 PolarHBondContact O-N 3.26Å; A70-Y74 VanDerWaalsContact O-CB 3.32Å; A70-Y74 WeakPolarHBondContact O-CB 3.36Å; A70-Y74 PolarHBondContact O-N 3Å |
| 71 | I | 91.8 | Very high | 88.7 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 45% | 0.446 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -74.5 | -41.8 | -178.6 | -54.9 | 172.7 | 0 | 0 | 0 | 109.3 | D69 Y74 R75 R98 | D69-I71 VanDerWaalsContact C-N 3.28Å; D69-I71 PolarHBondContact O-N 2.91Å; D69-I71 PolarHBondContact OD1-N 3.15Å; I71-Y74 WeakPolarHBondContact O-CB 3.4Å; I71-Y74 PolarHBondContact O-N 3.16Å; I71-R75 WeakPolarHBondContact O-CG 3.43Å; I71-R75 PolarHBondContact O-N 3.37Å; I71-R98 VanDerWaalsContact CD1-NH1 3.3Å; I71-R98 HydrophobicContact CG2-CG 4.39Å |
| 72 | F | 92.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -47 | 173.8 | -177.5 | -102.1 | 0 | 0 | 0 | 111.7 | M38 W41 T67 D69 Y74 R75 C76 L91 A94 W95 W99 | M38-F72 HydrophobicContact CE-CD1 4.08Å; M38-F72 HydrophobicContact CE-CD2 4.43Å; M38-F72 HydrophobicContact CE-CE1 3.86Å; M38-F72 HydrophobicContact CE-CE2 4.18Å; M38-F72 HydrophobicContact CE-CG 4.34Å; M38-F72 HydrophobicContact CE-CZ 3.9Å; M38-F72 HydrophobicContact SD-CB 4.45Å; M38-F72 HydrophobicContact SD-CD1 4.26Å; M38-F72 HydrophobicContact SD-CD2 4.29Å; M38-F72 HydrophobicContact SD-CG 4.07Å; W41-F72 AromaticContact CH2-CE1 4Å; W41-F72 HydrophobicContact CH2-CE1 4Å; W41-F72 AromaticContact CZ3-CE1 3.77Å; W41-F72 HydrophobicContact CZ3-CE1 3.77Å; W41-F72 HydrophobicContact CZ3-CZ 4.09Å; T67-F72 HydrophobicContact CG2-CD1 3.56Å; T67-F72 HydrophobicContact CG2-CE1 3.7Å; D69-F72 HydrophobicContact CB-CB 3.85Å; D69-F72 PolarHBondContact O-N 3.48Å; D69-F72 PolarHBondContact OD1-N 2.87Å; F72-Y74 VanDerWaalsContact C-N 3.29Å; F72-Y74 PolarHBondContact O-N 2.82Å; F72-R75 PolarHBondContact O-N 3.47Å; F72-R75 VanDerWaalsContact O-N 3.16Å; F72-C76 WeakPolarHBondContact CE1-SG 3.12Å; F72-C76 PolarHBondContact O-N 3.28Å; F72-C76 PolarHBondContact O-SG 3.01Å; F72-L91 HydrophobicContact CE1-CD2 3.91Å; F72-L91 HydrophobicContact CZ-CB 4.39Å; F72-L91 HydrophobicContact CZ-CD2 4Å; F72-A94 HydrophobicContact CD2-CB 4.26Å; F72-A94 HydrophobicContact CE2-CB 3.79Å; F72-A94 HydrophobicContact CZ-CB 4.13Å; F72-W95 HydrophobicContact CE2-CB 4.05Å; F72-W95 HydrophobicContact CE2-CE3 4.25Å; F72-W99 HydrophobicContact CB-CH2 4.31Å; F72-W99 HydrophobicContact CD2-CH2 4.15Å; F72-W99 AromaticContact CD2-CZ3 3.78Å; F72-W99 HydrophobicContact CD2-CZ3 3.78Å |
| 73 | N | 93 | Very high | 86.6 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.059 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.3 | -69.8 | -29.3 | 0 | 0 | 0 | 112 | D65 T67 D69 C76 K77 | D65-N73 WeakPolarHBondContact OD1-CB 3.46Å; T67-N73 PolarHBondContact N-OD1 2.99Å; T67-N73 PolarHBondContact O-ND2 3.13Å; T67-N73 VanDerWaalsContact OG1-CG 3.32Å; T67-N73 PolarHBondContact OG1-ND2 3.37Å; T67-N73 PolarHBondContact OG1-OD1 3.41Å; D69-N73 WeakPolarHBondContact O-CB 3.4Å; D69-N73 VanDerWaalsContact O-CG 3.25Å; D69-N73 PolarHBondContact O-N 3.37Å; D69-N73 PolarHBondContact O-ND2 3.4Å; N73-C76 WeakPolarHBondContact O-CB 3.29Å; N73-C76 PolarHBondContact O-N 2.92Å; N73-K77 WeakPolarHBondContact O-CG 3.46Å; N73-K77 PolarHBondContact O-N 3.41Å |
| 74 | Y | 91 | Very high | 85.9 | Confident | 153 Ų | 153 | 59.8 Ų | 59.8 | 60% | 0.6 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 174 | 175.3 | -98.2 | 0 | 0 | 0 | 111.8 | A70 I71 F72 C76 K77 A78 | A70-Y74 VanDerWaalsContact O-CB 3.32Å; A70-Y74 WeakPolarHBondContact O-CB 3.36Å; A70-Y74 PolarHBondContact O-N 3Å; I71-Y74 WeakPolarHBondContact O-CB 3.4Å; I71-Y74 PolarHBondContact O-N 3.16Å; F72-Y74 VanDerWaalsContact C-N 3.29Å; F72-Y74 PolarHBondContact O-N 2.82Å; Y74-C76 PolarHBondContact O-N 3.44Å; Y74-K77 PolarHBondContact O-N 2.74Å; Y74-A78 PolarHBondContact O-N 3.25Å |
| 75 | R | 90.6 | Very high | 85.8 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 175.6 | -66.5 | -62.8 | -175.6 | -173.3 | 1 | 111.8 | I71 F72 K77 A78 L79 A94 R98 | I71-R75 WeakPolarHBondContact O-CG 3.43Å; I71-R75 PolarHBondContact O-N 3.37Å; F72-R75 PolarHBondContact O-N 3.47Å; F72-R75 VanDerWaalsContact O-N 3.16Å; R75-K77 VanDerWaalsContact C-N 3.3Å; R75-K77 PolarHBondContact O-N 2.95Å; R75-A78 WeakPolarHBondContact O-CB 3.45Å; R75-A78 PolarHBondContact O-N 2.64Å; R75-A78 VanDerWaalsContact O-N 3.1Å; R75-L79 WeakPolarHBondContact O-CG 3.43Å; R75-L79 PolarHBondContact O-N 2.91Å; R75-A94 HydrophobicContact CB-CB 4.2Å; R75-R98 HydrophobicContact CG-CB 4.41Å |
| 76 | C | 90.8 | Very high | 85.7 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.027 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.7 | -46.2 | 173.1 | -71 | 0 | 0 | 0 | 0 | 111.8 | F72 N73 Y74 A78 L79 W90 A94 | F72-C76 WeakPolarHBondContact CE1-SG 3.12Å; F72-C76 PolarHBondContact O-N 3.28Å; F72-C76 PolarHBondContact O-SG 3.01Å; N73-C76 WeakPolarHBondContact O-CB 3.29Å; N73-C76 PolarHBondContact O-N 2.92Å; Y74-C76 PolarHBondContact O-N 3.44Å; C76-A78 PolarHBondContact O-N 3.12Å; C76-L79 PolarHBondContact O-N 3Å; C76-W90 HydrophobicContact CB-CH2 3.72Å; C76-W90 HydrophobicContact CB-CZ2 3.44Å; C76-W90 VanDerWaalsContact CB-CZ2 3.44Å; C76-W90 HydrophobicContact CB-CZ3 4.44Å; C76-W90 VanDerWaalsContact O-CZ2 3.29Å; C76-W90 WeakPolarHBondContact O-CZ2 3.47Å; C76-W90 PolarHBondContact O-NE1 3.22Å; C76-A94 HydrophobicContact CB-CB 4.39Å; C76-A94 WeakPolarHBondContact SG-CB 3.13Å |
| 77 | K | 88.6 | Confident | 85.7 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.3 | -33.9 | 176.8 | -71.8 | 166.4 | 171.4 | 162.4 | 0 | 112.9 | D65 N73 Y74 R75 L79 R80 | D65-K77 VanDerWaalsContact CG-NZ 3.34Å; D65-K77 WeakPolarHBondContact OD1-CE 3.47Å; D65-K77 IonicContact OD1-NZ 3.76Å; D65-K77 PolarHBondContact OD1-NZ 3.49Å; D65-K77 IonicContact OD2-NZ 3.11Å; D65-K77 PolarHBondContact OD2-NZ 3.15Å; N73-K77 WeakPolarHBondContact O-CG 3.46Å; N73-K77 PolarHBondContact O-N 3.41Å; Y74-K77 PolarHBondContact O-N 2.74Å; R75-K77 VanDerWaalsContact C-N 3.3Å; R75-K77 PolarHBondContact O-N 2.95Å; K77-L79 PolarHBondContact O-N 2.93Å; K77-R80 WeakPolarHBondContact O-CB 3.48Å; K77-R80 VanDerWaalsContact O-CD 3.3Å; K77-R80 WeakPolarHBondContact O-CD 3.34Å; K77-R80 WeakPolarHBondContact O-CG 3.32Å; K77-R80 PolarHBondContact O-N 3.11Å |
| 78 | A | 87.8 | Confident | 85.7 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 50% | 0.496 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.3 | -21.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y74 R75 C76 R80 | Y74-A78 PolarHBondContact O-N 3.25Å; R75-A78 WeakPolarHBondContact O-CB 3.45Å; R75-A78 PolarHBondContact O-N 2.64Å; R75-A78 VanDerWaalsContact O-N 3.1Å; C76-A78 PolarHBondContact O-N 3.12Å; A78-R80 PolarHBondContact O-N 3.11Å |
| 79 | L | 85.3 | Confident | 85.7 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 5.5 | 175.7 | -66.3 | 174.7 | 0 | 0 | 0 | 114 | R75 C76 K77 G81 Q93 A94 | R75-L79 WeakPolarHBondContact O-CG 3.43Å; R75-L79 PolarHBondContact O-N 2.91Å; C76-L79 PolarHBondContact O-N 3Å; K77-L79 PolarHBondContact O-N 2.93Å; L79-G81 PolarHBondContact O-N 3.07Å; L79-Q93 HydrophobicContact CD1-CB 3.87Å; L79-Q93 HydrophobicContact CD1-CG 3.82Å; L79-Q93 HydrophobicContact CD2-CG 3.96Å; L79-A94 HydrophobicContact CD1-CB 3.87Å |
| 80 | R | 69.7 | Low | 85.7 | Confident | 126 Ų | 126 | 53.4 Ų | 53.4 | 48% | 0.475 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 104.8 | 175 | -72.6 | 173.4 | -168.9 | -150.4 | 0.4 | 109.5 | G61 K77 A78 | G61-R80 VanDerWaalsContact CA-NH2 3.27Å; G61-R80 PolarHBondContact O-NH2 2.96Å; K77-R80 WeakPolarHBondContact O-CB 3.48Å; K77-R80 VanDerWaalsContact O-CD 3.3Å; K77-R80 WeakPolarHBondContact O-CD 3.34Å; K77-R80 WeakPolarHBondContact O-CG 3.32Å; K77-R80 PolarHBondContact O-N 3.11Å; A78-R80 PolarHBondContact O-N 3.11Å |
| 81 | G | 63.5 | Low | 85.8 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 156.1 | -20.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | L79 G83 | L79-G81 PolarHBondContact O-N 3.07Å; G81-G83 PolarHBondContact O-N 3.29Å |
| 82 | A | 60.7 | Low | 85.9 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 45% | 0.446 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -86.8 | 86.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 83 | G | 71.8 | Confident | 85.9 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 41.5 | -150.2 | 163 | 0 | 0 | 0 | 0 | 0 | 117.5 | S57 G81 | S57-G83 PolarHBondContact N-O 3.18Å; G81-G83 PolarHBondContact O-N 3.29Å |
| 84 | C | 75.6 | Confident | 85.8 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 70% | 0.703 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.5 | 165.4 | -67.4 | 0 | 0 | 0 | 0 | 108.9 | L55 | L55-C84 WeakPolarHBondContact O-CA 3.23Å |
| 85 | Q | 88.3 | Confident | 85.8 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 157 | 175.9 | 61 | -175.6 | -40.1 | 0 | 0 | 110.3 | L55 L60 W90 | L55-Q85 PolarHBondContact N-O 2.7Å; L55-Q85 PolarHBondContact O-N 3.41Å; L55-Q85 VanDerWaalsContact O-O 3.07Å; L60-Q85 HydrophobicContact CD1-CG 3.5Å; L60-Q85 VanDerWaalsContact CD1-CG 3.5Å; L60-Q85 VanDerWaalsContact CD1-NE2 3.34Å; Q85-W90 HydrophobicContact CG-CB 4.04Å; Q85-W90 VanDerWaalsContact NE2-CD1 3.26Å |
| 86 | T | 92.1 | Very high | 85.8 | Confident | 29 Ų | 29 | 51.4 Ų | 51.4 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 150 | 174.7 | 80.2 | 0 | 0 | 0 | 0 | 109.8 | P51 L53 L88 S89 W90 | P51-T86 WeakPolarHBondContact O-CB 3.34Å; P51-T86 WeakPolarHBondContact O-CG2 3.29Å; L53-T86 CarbonylContact O-C 3.5Å; L53-T86 VanDerWaalsContact O-CA 3.29Å; L53-T86 WeakPolarHBondContact O-CA 3.47Å; T86-L88 PolarHBondContact O-N 3.33Å; T86-S89 PolarHBondContact O-N 3.49Å; T86-S89 WeakPolarHBondContact OG1-CB 3.5Å; T86-S89 PolarHBondContact OG1-N 2.92Å; T86-S89 VanDerWaalsContact OG1-N 3.07Å; T86-S89 PolarHBondContact OG1-OG 2.98Å; T86-W90 PolarHBondContact O-N 3.1Å; T86-W90 VanDerWaalsContact O-N 3.07Å |
| 87 | L | 93.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.8 | -44.5 | 176.6 | 177.2 | 64.5 | 0 | 0 | 0 | 110.7 | F30 V45 G50 L53 L55 L60 L63 L66 W90 L91 | F30-L87 HydrophobicContact CB-CD2 3.97Å; F30-L87 HydrophobicContact CD1-CD2 3.9Å; F30-L87 HydrophobicContact CD2-CD2 3.61Å; F30-L87 HydrophobicContact CE1-CD2 4.23Å; F30-L87 HydrophobicContact CE2-CD2 4Å; F30-L87 HydrophobicContact CG-CD2 3.55Å; F30-L87 HydrophobicContact CZ-CD2 4.28Å; V45-L87 HydrophobicContact CG1-CD2 4.09Å; V45-L87 HydrophobicContact CG1-CG 4.34Å; G50-L87 PolarHBondContact O-N 3.36Å; L53-L87 HydrophobicContact CB-CB 4.31Å; L53-L87 HydrophobicContact CD2-CB 4.11Å; L53-L87 HydrophobicContact CD2-CD2 3.86Å; L53-L87 HydrophobicContact CG-CB 4.36Å; L53-L87 PolarHBondContact O-N 3.44Å; L55-L87 HydrophobicContact CD1-CB 4.43Å; L55-L87 HydrophobicContact CD1-CD1 4.43Å; L60-L87 HydrophobicContact CD2-CD1 4.38Å; L63-L87 HydrophobicContact CD1-CD1 3.73Å; L66-L87 HydrophobicContact CD1-CD1 4.18Å; L87-W90 HydrophobicContact CD1-CE3 3.94Å; L87-W90 HydrophobicContact CD1-CZ3 4.16Å; L87-W90 PolarHBondContact O-N 3.39Å; L87-L91 HydrophobicContact CD1-CD1 4.27Å; L87-L91 HydrophobicContact CD1-CG 4.41Å; L87-L91 HydrophobicContact CG-CD1 4.15Å; L87-L91 VanDerWaalsContact O-CG 3.28Å; L87-L91 WeakPolarHBondContact O-CG 3.46Å; L87-L91 PolarHBondContact O-N 3.41Å; L87-L91 VanDerWaalsContact O-N 3.15Å |
| 88 | L | 94.4 | Very high | 85.6 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.5 | -44.1 | -179.1 | -176 | 69.6 | 0 | 0 | 0 | 112.4 | I42 V45 Y46 G50 P51 T86 W90 L91 L92 | I42-L88 HydrophobicContact CG2-CD1 4.01Å; V45-L88 HydrophobicContact CG1-CD1 4.25Å; Y46-L88 HydrophobicContact CD2-CD2 3.52Å; Y46-L88 HydrophobicContact CE2-CD2 4.43Å; Y46-L88 HydrophobicContact CG-CD2 4.32Å; G50-L88 PolarHBondContact O-N 3.02Å; P51-L88 HydrophobicContact CG-CB 4.4Å; P51-L88 HydrophobicContact CG-CD2 3.68Å; T86-L88 PolarHBondContact O-N 3.33Å; L88-W90 VanDerWaalsContact C-N 3.29Å; L88-W90 PolarHBondContact O-N 3.05Å; L88-L91 PolarHBondContact O-N 3.14Å; L88-L92 HydrophobicContact CD1-CD1 4.29Å; L88-L92 HydrophobicContact CD1-CG 4.24Å; L88-L92 HydrophobicContact CD2-CD1 4.27Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 HydrophobicContact CG-CG 4.24Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.32Å |
| 89 | S | 93.4 | Very high | 85.4 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 43% | 0.434 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | T86 L91 L92 Q93 | T86-S89 PolarHBondContact O-N 3.49Å; T86-S89 WeakPolarHBondContact OG1-CB 3.5Å; T86-S89 PolarHBondContact OG1-N 2.92Å; T86-S89 VanDerWaalsContact OG1-N 3.07Å; T86-S89 PolarHBondContact OG1-OG 2.98Å; S89-L91 PolarHBondContact O-N 3.03Å; S89-L92 PolarHBondContact O-N 2.79Å; S89-Q93 WeakPolarHBondContact O-CB 3.32Å; S89-Q93 PolarHBondContact O-N 3.24Å |
| 90 | W | 93.3 | Very high | 84.7 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 176.7 | 177.5 | 60.4 | 0 | 0 | 0 | 112.5 | L60 L66 C76 Q85 T86 L87 L88 Q93 A94 | L60-W90 HydrophobicContact CB-CZ2 4.34Å; L60-W90 HydrophobicContact CD1-CB 4.39Å; L60-W90 HydrophobicContact CD1-CD2 4.35Å; L60-W90 HydrophobicContact CD1-CG 4.04Å; L60-W90 HydrophobicContact CD2-CB 4.39Å; L60-W90 HydrophobicContact CD2-CD2 3.79Å; L60-W90 HydrophobicContact CD2-CE3 3.75Å; L60-W90 HydrophobicContact CD2-CG 4.12Å; L60-W90 HydrophobicContact CD2-CZ3 4.21Å; L60-W90 HydrophobicContact CG-CD2 4.49Å; L66-W90 HydrophobicContact CD1-CZ3 4.07Å; C76-W90 HydrophobicContact CB-CH2 3.72Å; C76-W90 HydrophobicContact CB-CZ2 3.44Å; C76-W90 VanDerWaalsContact CB-CZ2 3.44Å; C76-W90 HydrophobicContact CB-CZ3 4.44Å; C76-W90 VanDerWaalsContact O-CZ2 3.29Å; C76-W90 WeakPolarHBondContact O-CZ2 3.47Å; C76-W90 PolarHBondContact O-NE1 3.22Å; Q85-W90 HydrophobicContact CG-CB 4.04Å; Q85-W90 VanDerWaalsContact NE2-CD1 3.26Å; T86-W90 PolarHBondContact O-N 3.1Å; T86-W90 VanDerWaalsContact O-N 3.07Å; L87-W90 HydrophobicContact CD1-CE3 3.94Å; L87-W90 HydrophobicContact CD1-CZ3 4.16Å; L87-W90 PolarHBondContact O-N 3.39Å; L88-W90 VanDerWaalsContact C-N 3.29Å; L88-W90 PolarHBondContact O-N 3.05Å; W90-Q93 PolarHBondContact O-N 3.19Å; W90-A94 PolarHBondContact O-N 3.23Å; W90-A94 VanDerWaalsContact O-N 3.13Å |
| 91 | L | 93.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 179.2 | -68 | 175.9 | 0 | 0 | 0 | 112.4 | W41 V45 L66 F72 L87 L88 S89 Q93 A94 W95 | W41-L91 HydrophobicContact CH2-CD1 3.53Å; W41-L91 HydrophobicContact CH2-CD2 3.61Å; W41-L91 HydrophobicContact CH2-CG 4.14Å; W41-L91 HydrophobicContact CZ2-CD1 4.07Å; W41-L91 HydrophobicContact CZ3-CD1 4.09Å; W41-L91 HydrophobicContact CZ3-CD2 4.25Å; V45-L91 HydrophobicContact CG1-CD1 3.97Å; V45-L91 HydrophobicContact CG2-CD1 4.21Å; L66-L91 HydrophobicContact CD1-CD2 4.46Å; F72-L91 HydrophobicContact CE1-CD2 3.91Å; F72-L91 HydrophobicContact CZ-CB 4.39Å; F72-L91 HydrophobicContact CZ-CD2 4Å; L87-L91 HydrophobicContact CD1-CD1 4.27Å; L87-L91 HydrophobicContact CD1-CG 4.41Å; L87-L91 HydrophobicContact CG-CD1 4.15Å; L87-L91 VanDerWaalsContact O-CG 3.28Å; L87-L91 WeakPolarHBondContact O-CG 3.46Å; L87-L91 PolarHBondContact O-N 3.41Å; L87-L91 VanDerWaalsContact O-N 3.15Å; L88-L91 PolarHBondContact O-N 3.14Å; S89-L91 PolarHBondContact O-N 3.03Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 3.09Å; L91-A94 PolarHBondContact O-N 3.41Å; L91-W95 WeakPolarHBondContact O-CB 3.39Å; L91-W95 PolarHBondContact O-N 2.66Å |
| 92 | L | 93.5 | Very high | 84.9 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 42% | 0.419 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -33.9 | 177.3 | -71.2 | 174.9 | 0 | 0 | 0 | 111.9 | I42 L88 S89 W95 R96 | I42-L92 HydrophobicContact CD1-CD2 4.31Å; I42-L92 HydrophobicContact CG2-CD2 4.01Å; L88-L92 HydrophobicContact CD1-CD1 4.29Å; L88-L92 HydrophobicContact CD1-CG 4.24Å; L88-L92 HydrophobicContact CD2-CD1 4.27Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 HydrophobicContact CG-CG 4.24Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.32Å; S89-L92 PolarHBondContact O-N 2.79Å; L92-W95 WeakPolarHBondContact O-CB 3.44Å; L92-W95 PolarHBondContact O-N 3.49Å; L92-R96 WeakPolarHBondContact O-CB 3.38Å; L92-R96 PolarHBondContact O-N 3.07Å |
| 93 | Q | 92.3 | Very high | 86.1 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 174.1 | -171.9 | 174.6 | -5.8 | 0 | 0 | 111.7 | L79 S89 W90 L91 W95 R96 Q97 | L79-Q93 HydrophobicContact CD1-CB 3.87Å; L79-Q93 HydrophobicContact CD1-CG 3.82Å; L79-Q93 HydrophobicContact CD2-CG 3.96Å; S89-Q93 WeakPolarHBondContact O-CB 3.32Å; S89-Q93 PolarHBondContact O-N 3.24Å; W90-Q93 PolarHBondContact O-N 3.19Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 3.09Å; Q93-W95 VanDerWaalsContact C-N 3.32Å; Q93-R96 PolarHBondContact O-N 3.11Å; Q93-Q97 WeakPolarHBondContact O-CG 3.37Å; Q93-Q97 PolarHBondContact O-N 2.91Å |
| 94 | A | 91.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.5 | -37 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F72 R75 C76 L79 W90 L91 Q97 R98 | F72-A94 HydrophobicContact CD2-CB 4.26Å; F72-A94 HydrophobicContact CE2-CB 3.79Å; F72-A94 HydrophobicContact CZ-CB 4.13Å; R75-A94 HydrophobicContact CB-CB 4.2Å; C76-A94 HydrophobicContact CB-CB 4.39Å; C76-A94 WeakPolarHBondContact SG-CB 3.13Å; L79-A94 HydrophobicContact CD1-CB 3.87Å; W90-A94 PolarHBondContact O-N 3.23Å; W90-A94 VanDerWaalsContact O-N 3.13Å; L91-A94 PolarHBondContact O-N 3.41Å; A94-Q97 PolarHBondContact O-N 2.92Å; A94-R98 PolarHBondContact O-N 3.18Å |
| 95 | W | 91.8 | Very high | 87.6 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 175.4 | -178.6 | -88.1 | 0 | 0 | 0 | 110.6 | M38 V39 I42 F72 L91 L92 Q93 Q97 R98 W99 | M38-W95 HydrophobicContact CB-CH2 4.03Å; M38-W95 HydrophobicContact CB-CZ3 3.61Å; M38-W95 HydrophobicContact CE-CE3 3.99Å; M38-W95 HydrophobicContact CE-CZ3 3.86Å; M38-W95 HydrophobicContact CG-CZ3 4.19Å; M38-W95 HydrophobicContact SD-CE3 4.1Å; M38-W95 HydrophobicContact SD-CZ3 3.63Å; V39-W95 HydrophobicContact CG2-CH2 3.78Å; V39-W95 HydrophobicContact CG2-CZ2 3.95Å; I42-W95 HydrophobicContact CD1-CB 4.38Å; I42-W95 HydrophobicContact CD1-CD2 4.12Å; I42-W95 HydrophobicContact CD1-CE3 3.85Å; I42-W95 HydrophobicContact CD1-CG 4.4Å; F72-W95 HydrophobicContact CE2-CB 4.05Å; F72-W95 HydrophobicContact CE2-CE3 4.25Å; L91-W95 WeakPolarHBondContact O-CB 3.39Å; L91-W95 PolarHBondContact O-N 2.66Å; L92-W95 WeakPolarHBondContact O-CB 3.44Å; L92-W95 PolarHBondContact O-N 3.49Å; Q93-W95 VanDerWaalsContact C-N 3.32Å; W95-Q97 VanDerWaalsContact C-N 3.3Å; W95-Q97 PolarHBondContact O-N 3.37Å; W95-R98 PolarHBondContact O-N 3.21Å; W95-R98 VanDerWaalsContact O-N 3.09Å; W95-W99 HydrophobicContact CD2-CE3 4.26Å; W95-W99 HydrophobicContact CD2-CZ3 4.48Å; W95-W99 HydrophobicContact CE3-CE3 4.22Å; W95-W99 HydrophobicContact CE3-CH2 4.32Å; W95-W99 HydrophobicContact CE3-CZ3 4.03Å; W95-W99 HydrophobicContact CZ3-CH2 4.21Å; W95-W99 HydrophobicContact CZ3-CZ2 4.3Å; W95-W99 HydrophobicContact CZ3-CZ3 4.33Å; W95-W99 PolarHBondContact O-N 2.86Å; W95-W99 VanDerWaalsContact O-N 3.12Å |
| 96 | R | 90.4 | Very high | 87.6 | Confident | 157 Ų | 157 | 66.4 Ų | 66.4 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -53.9 | -47 | 177.1 | -160.5 | -178.6 | 179 | 178.6 | -1.4 | 112 | L92 Q93 R98 E100 | L92-R96 WeakPolarHBondContact O-CB 3.38Å; L92-R96 PolarHBondContact O-N 3.07Å; Q93-R96 PolarHBondContact O-N 3.11Å; R96-R98 PolarHBondContact O-N 2.9Å; R96-E100 HydrophobicContact CG-CB 4.28Å; R96-E100 HydrophobicContact CG-CG 3.95Å; R96-E100 WeakPolarHBondContact CG-OE2 3.3Å; R96-E100 IonicContact CZ-OE2 3.25Å; R96-E100 IonicContact NE-OE1 2.93Å; R96-E100 IonicContact NE-OE2 3.82Å; R96-E100 PolarHBondContact NE-OE2 3.32Å; R96-E100 IonicContact NH2-OE2 2.64Å; R96-E100 PolarHBondContact NH2-OE2 3.33Å; R96-E100 WeakPolarHBondContact O-CB 3.4Å; R96-E100 PolarHBondContact O-N 3.29Å |
| 97 | Q | 88.4 | Confident | 87.3 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.2 | -20.3 | -179.3 | -73.9 | -172.3 | -8.9 | 0 | 0 | 115.3 | Q93 A94 W95 | Q93-Q97 WeakPolarHBondContact O-CG 3.37Å; Q93-Q97 PolarHBondContact O-N 2.91Å; A94-Q97 PolarHBondContact O-N 2.92Å; W95-Q97 VanDerWaalsContact C-N 3.3Å; W95-Q97 PolarHBondContact O-N 3.37Å |
| 98 | R | 86.8 | Confident | 86.8 | Confident | 77 Ų | 77 | 73.8 Ų | 73.8 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -105.7 | -21.8 | -176.1 | 172.8 | 176.2 | 160.8 | 60.9 | -4.3 | 113.7 | D69 I71 R75 A94 W95 R96 | D69-R98 IonicContact OD1-CZ 2.83Å; D69-R98 IonicContact OD1-NE 2.71Å; D69-R98 PolarHBondContact OD1-NE 2.93Å; D69-R98 IonicContact OD1-NH2 3.51Å; D69-R98 PolarHBondContact OD1-NH2 3.05Å; D69-R98 IonicContact OD2-CZ 3.65Å; D69-R98 VanDerWaalsContact OD2-CZ 3.25Å; D69-R98 IonicContact OD2-NE 3.45Å; D69-R98 PolarHBondContact OD2-NE 3.25Å; D69-R98 IonicContact OD2-NH2 3.56Å; D69-R98 PolarHBondContact OD2-NH2 3.16Å; I71-R98 VanDerWaalsContact CD1-NH1 3.3Å; I71-R98 HydrophobicContact CG2-CG 4.39Å; R75-R98 HydrophobicContact CG-CB 4.41Å; A94-R98 PolarHBondContact O-N 3.18Å; W95-R98 PolarHBondContact O-N 3.21Å; W95-R98 VanDerWaalsContact O-N 3.09Å; R96-R98 PolarHBondContact O-N 2.9Å |
| 99 | W | 82.6 | Confident | 86.2 | Confident | 111 Ų | 111 | 78.2 Ų | 78.2 | 42% | 0.42 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -119.1 | -15.3 | -178.2 | -74.4 | -111.2 | 0 | 0 | 0 | 115.1 | M38 F72 W95 S101 | M38-W99 HydrophobicContact SD-CH2 4.21Å; F72-W99 HydrophobicContact CB-CH2 4.31Å; F72-W99 HydrophobicContact CD2-CH2 4.15Å; F72-W99 AromaticContact CD2-CZ3 3.78Å; F72-W99 HydrophobicContact CD2-CZ3 3.78Å; W95-W99 HydrophobicContact CD2-CE3 4.26Å; W95-W99 HydrophobicContact CD2-CZ3 4.48Å; W95-W99 HydrophobicContact CE3-CE3 4.22Å; W95-W99 HydrophobicContact CE3-CH2 4.32Å; W95-W99 HydrophobicContact CE3-CZ3 4.03Å; W95-W99 HydrophobicContact CZ3-CH2 4.21Å; W95-W99 HydrophobicContact CZ3-CZ2 4.3Å; W95-W99 HydrophobicContact CZ3-CZ3 4.33Å; W95-W99 PolarHBondContact O-N 2.86Å; W95-W99 VanDerWaalsContact O-N 3.12Å; W99-S101 VanDerWaalsContact C-N 3.29Å |
| 100 | E | 72.3 | Confident | 85.6 | Confident | 133 Ų | 133 | 79.6 Ų | 79.6 | 62% | 0.621 | 38% | 0.377 | S | S | * | . | trans | -92.4 | 16.6 | 171.1 | -64.1 | -170.8 | -176.9 | 0 | 0 | 113 | R96 | R96-E100 HydrophobicContact CG-CB 4.28Å; R96-E100 HydrophobicContact CG-CG 3.95Å; R96-E100 WeakPolarHBondContact CG-OE2 3.3Å; R96-E100 IonicContact CZ-OE2 3.25Å; R96-E100 IonicContact NE-OE1 2.93Å; R96-E100 IonicContact NE-OE2 3.82Å; R96-E100 PolarHBondContact NE-OE2 3.32Å; R96-E100 IonicContact NH2-OE2 2.64Å; R96-E100 PolarHBondContact NH2-OE2 3.33Å; R96-E100 WeakPolarHBondContact O-CB 3.4Å; R96-E100 PolarHBondContact O-N 3.29Å | ||
| 101 | S | 50.8 | Low | 84.9 | Confident | 164 Ų | 164 | 86.4 Ų | 86.4 | 100% | 1.147 | 41% | 0.409 | S | S | * | . | trans | -94.4 | 0 | 179.4 | -157.3 | 0 | 0 | 0 | 0 | 112.9 | W99 | W99-S101 VanDerWaalsContact C-N 3.29Š|
Retrieved 101 of 101 residues in 20.1 ms
(Link to these results)