| 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 | V | 28.9 | Very low | 32.6 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 81% | 0.806 | 64% | 0.64 | S | S | * | * | 0 | 111.8 | 0 | -176.3 | 0 | 0 | 0 | 0 | 107.4 | C3 | V1-C3 VanDerWaalsContact C-N 3.32Å; V1-C3 PolarHBondContact O-N 3.15Å | |||
| 2 | Q | 22.9 | Very low | 33.4 | Very low | 193 Ų | 193 | 127 Ų | 127 | 90% | 0.902 | 64% | 0.638 | S | S | * | * | trans | -74.9 | 91 | 179.5 | -168.2 | 166.2 | -3.6 | 0 | 0 | 108.2 | ||||
| 3 | C | 28.2 | Very low | 33.6 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 49% | 0.493 | 64% | 0.642 | S | S | . | * | trans | -89.2 | 104.9 | 176.7 | -72.3 | 0 | 0 | 0 | 0 | 108.8 | V1 | V1-C3 VanDerWaalsContact C-N 3.32Å; V1-C3 PolarHBondContact O-N 3.15Å | ||
| 4 | R | 25.6 | Very low | 33.7 | Very low | 221 Ų | 221 | 123.7 Ų | 123.7 | 83% | 0.834 | 66% | 0.661 | S | S | * | * | trans | -128.6 | 120.4 | 149 | -75.8 | -169.4 | -177.9 | -158.6 | 0 | 108 | ||||
| 5 | C | 33.1 | Very low | 34 | Very low | 60 Ų | 60 | 119.9 Ų | 119.9 | 41% | 0.405 | 65% | 0.654 | S | S | . | * | trans | -127.7 | 142.2 | 170.5 | -25.5 | 0 | 0 | 0 | 0 | 105.3 | R53 | C5-R53 VanDerWaalsContact CB-NH2 3.34Å; C5-R53 PolarHBondContact SG-NH1 3Å; C5-R53 PolarHBondContact SG-NH2 3.12Å | ||
| 6 | P | 34.3 | Very low | 34.7 | Very low | 46 Ų | 46 | 117.1 Ų | 117.1 | 30% | 0.299 | 65% | 0.651 | S | S | . | * | -141 | 119.1 | 73.5 | 31.4 | -13.3 | 0 | 0 | 0 | 112.8 | P20 | P6-P20 HydrophobicContact CB-CB 4.12Å; P6-P20 HydrophobicContact CG-CB 3.57Å | |||
| 7 | L | 35.9 | Very low | 35.4 | Very low | 90 Ų | 90 | 114.7 Ų | 114.7 | 47% | 0.471 | 65% | 0.65 | S | S | . | * | trans | -111.7 | 90.3 | 163.4 | -151.4 | 89.9 | 0 | 0 | 0 | 108.6 | R9 F38 | L7-R9 PolarHBondContact O-N 3.43Å; L7-F38 HydrophobicContact CD1-CZ 4.12Å | ||
| 8 | V | 38.8 | Very low | 36.2 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 62% | 0.624 | 66% | 0.657 | S | S | * | * | trans | -74.4 | 117.8 | 165.9 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | G10 | V8-G10 PolarHBondContact O-N 3.09Š| ||
| 9 | R | 39.3 | Very low | 37.5 | Very low | 217 Ų | 217 | 108.5 Ų | 108.5 | 82% | 0.819 | 63% | 0.632 | S | S | * | * | trans | -68.7 | 84.7 | 163 | -91.9 | -175 | 178.6 | -176.7 | 0.4 | 108 | L7 | L7-R9 PolarHBondContact O-N 3.43Š| ||
| 10 | G | 34.8 | Very low | 38.6 | Very low | 47 Ų | 47 | 104.8 Ų | 104.8 | 49% | 0.485 | 61% | 0.611 | S | S | . | * | trans | -98.4 | 126.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V8 V12 | V8-G10 PolarHBondContact O-N 3.09Å; G10-V12 PolarHBondContact O-N 2.73Å | ||
| 11 | R | 36.8 | Very low | 39.9 | Very low | 240 Ų | 240 | 101.9 Ų | 101.9 | 91% | 0.906 | 60% | 0.6 | S | S | * | * | trans | -49.2 | 129.5 | 157.1 | -80.2 | 176.6 | 169 | 171.3 | -4.4 | 107 | S13 | R11-S13 PolarHBondContact O-N 3.22Š| ||
| 12 | V | 42.6 | Very low | 41.8 | Very low | 101 Ų | 101 | 101.5 Ų | 101.5 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -68.2 | 85.9 | 176.8 | -177 | 0 | 0 | 0 | 0 | 107.7 | G10 F38 | G10-V12 PolarHBondContact O-N 2.73Å; V12-F38 HydrophobicContact CG2-CB 4.3Å |
| 13 | S | 35.2 | Very low | 44 | Very low | 98 Ų | 98 | 95 Ų | 95 | 69% | 0.685 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -152.3 | 102 | 167 | -68.5 | 0 | 0 | 0 | 0 | 106.7 | R11 A15 | R11-S13 PolarHBondContact O-N 3.22Å; S13-A15 PolarHBondContact O-N 3.28Å; S13-A15 VanDerWaalsContact O-N 3.12Å |
| 14 | A | 35.2 | Very low | 46 | Very low | 110 Ų | 110 | 95 Ų | 95 | 91% | 0.909 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 56.7 | 26.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 15 | A | 38 | Very low | 48.2 | Very low | 67 Ų | 67 | 90 Ų | 90 | 55% | 0.554 | 57% | 0.566 | S | S | * | * | trans | -105.8 | 17.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S13 A17 | S13-A15 PolarHBondContact O-N 3.28Å; S13-A15 VanDerWaalsContact O-N 3.12Å; A15-A17 PolarHBondContact O-N 3.01Å | ||
| 16 | A | 46.4 | Very low | 50.1 | Low | 74 Ų | 74 | 88.7 Ų | 88.7 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -68.4 | -18.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | A18 | A16-A18 PolarHBondContact O-N 3.48Š|
| 17 | A | 45.8 | Very low | 52.3 | Low | 77 Ų | 77 | 90.8 Ų | 90.8 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -86 | 2.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A15 Q22 | A15-A17 PolarHBondContact O-N 3.01Å; A17-Q22 VanDerWaalsContact C-CD 3.45Å; A17-Q22 VanDerWaalsContact C-NE2 3.31Å; A17-Q22 VanDerWaalsContact O-CD 3.23Å; A17-Q22 PolarHBondContact O-NE2 3.09Å; A17-Q22 PolarHBondContact O-OE1 3.36Å |
| 18 | A | 50.3 | Low | 54.5 | Low | 94 Ų | 94 | 93.3 Ų | 93.3 | 78% | 0.777 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -148.4 | 22.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A16 Q22 | A16-A18 PolarHBondContact O-N 3.48Å; A18-Q22 VanDerWaalsContact CA-OE1 3.29Å |
| 19 | G | 61.1 | Low | 56.6 | Low | 18 Ų | 18 | 98.7 Ų | 98.7 | 19% | 0.186 | 59% | 0.59 | C | S | . | * | S | Bend | trans | -100.4 | -177.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A21 Q22 | G19-A21 PolarHBondContact O-N 3.41Å; G19-Q22 PolarHBondContact O-N 2.91Å |
| 20 | P | 58.7 | Low | 58.5 | Low | 33 Ų | 33 | 90.8 Ų | 90.8 | 21% | 0.214 | 56% | 0.562 | C | S | . | * | G | 310 helix | trans | -54.3 | -22.3 | 179.8 | 20 | -31.8 | 0 | 0 | 0 | 114.6 | P6 Q22 S23 L26 | P6-P20 HydrophobicContact CB-CB 4.12Å; P6-P20 HydrophobicContact CG-CB 3.57Å; P20-Q22 PolarHBondContact O-N 3.36Å; P20-S23 WeakPolarHBondContact O-CB 3.46Å; P20-S23 PolarHBondContact O-N 3.25Å; P20-S23 PolarHBondContact O-OG 2.96Å; P20-L26 HydrophobicContact CB-CD1 4.39Å |
| 21 | A | 65.1 | Low | 60.8 | Low | 44 Ų | 44 | 90.2 Ų | 90.2 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -59.5 | -26.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G19 V31 | G19-A21 PolarHBondContact O-N 3.41Å; A21-V31 HydrophobicContact CB-CG1 3.56Å; A21-V31 HydrophobicContact CB-CG2 4.19Å |
| 22 | Q | 69.3 | Low | 63.1 | Low | 125 Ų | 125 | 82.8 Ų | 82.8 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -100.9 | 0.8 | -179.2 | -66.8 | 178.6 | -22.5 | 0 | 0 | 113.3 | A17 A18 G19 P20 G24 | A17-Q22 VanDerWaalsContact C-CD 3.45Å; A17-Q22 VanDerWaalsContact C-NE2 3.31Å; A17-Q22 VanDerWaalsContact O-CD 3.23Å; A17-Q22 PolarHBondContact O-NE2 3.09Å; A17-Q22 PolarHBondContact O-OE1 3.36Å; A18-Q22 VanDerWaalsContact CA-OE1 3.29Å; G19-Q22 PolarHBondContact O-N 2.91Å; P20-Q22 PolarHBondContact O-N 3.36Å; Q22-G24 PolarHBondContact O-N 3.03Å |
| 23 | S | 69.6 | Low | 65 | Low | 57 Ų | 57 | 79.7 Ų | 79.7 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -73 | -12.2 | -177.8 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | P20 I25 | P20-S23 WeakPolarHBondContact O-CB 3.46Å; P20-S23 PolarHBondContact O-N 3.25Å; P20-S23 PolarHBondContact O-OG 2.96Å; S23-I25 PolarHBondContact O-N 3.42Å; S23-I25 WeakPolarHBondContact OG-CB 3.18Å; S23-I25 WeakPolarHBondContact OG-CG1 3.42Å; S23-I25 PolarHBondContact OG-N 3.27Å |
| 24 | G | 69.4 | Low | 67.1 | Low | 72 Ų | 72 | 76.6 Ų | 76.6 | 74% | 0.742 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 68.9 | 2.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q22 | Q22-G24 PolarHBondContact O-N 3.03Š|
| 25 | I | 72.4 | Confident | 69.4 | Low | 118 Ų | 118 | 77.5 Ų | 77.5 | 61% | 0.605 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -80.8 | -30.8 | -179.4 | -60.2 | 171.6 | 0 | 0 | 0 | 111.4 | S23 | S23-I25 PolarHBondContact O-N 3.42Å; S23-I25 WeakPolarHBondContact OG-CB 3.18Å; S23-I25 WeakPolarHBondContact OG-CG1 3.42Å; S23-I25 PolarHBondContact OG-N 3.27Å |
| 26 | L | 73.5 | Confident | 71.5 | Confident | 32 Ų | 32 | 77.8 Ų | 77.8 | 17% | 0.168 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -102.8 | 138.9 | -178.1 | -61 | 176.8 | 0 | 0 | 0 | 109.8 | P20 E30 V31 L34 | P20-L26 HydrophobicContact CB-CD1 4.39Å; L26-E30 WeakPolarHBondContact CA-OE2 3.48Å; L26-E30 HydrophobicContact CB-CB 4.17Å; L26-E30 HydrophobicContact CD2-CB 4.34Å; L26-V31 HydrophobicContact CB-CG2 3.74Å; L26-V31 HydrophobicContact CD1-CG2 4.34Å; L26-L34 HydrophobicContact CD1-CD2 4.23Å |
| 27 | V | 80.6 | Confident | 73.2 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | trans | -73.8 | 156.8 | 169.5 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | R29 E30 V31 | V27-R29 HydrophobicContact CG2-CB 4.32Å; V27-R29 PolarHBondContact O-N 3.27Å; V27-E30 HydrophobicContact CG2-CB 4.06Å; V27-E30 HydrophobicContact CG2-CG 3.51Å; V27-E30 WeakPolarHBondContact CG2-OE2 3.45Å; V27-E30 PolarHBondContact N-OE2 3Å; V27-E30 WeakPolarHBondContact O-CA 3.35Å; V27-E30 WeakPolarHBondContact O-CB 3.5Å; V27-E30 PolarHBondContact O-N 3.12Å; V27-V31 PolarHBondContact O-N 3.2Å | ||
| 28 | D | 81.1 | Confident | 74.7 | Confident | 143 Ų | 143 | 76.1 Ų | 76.1 | 77% | 0.765 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -50.6 | -40.5 | -177.8 | -64.2 | -24.1 | 0 | 0 | 0 | 112.8 | E30 V31 V32 | D28-E30 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 2.78Å; D28-V31 PolarHBondContact O-N 3.38Å; D28-V32 WeakPolarHBondContact O-CG2 3.46Å; D28-V32 PolarHBondContact O-N 3.46Å |
| 29 | R | 82.9 | Confident | 76.2 | Confident | 216 Ų | 216 | 74.7 Ų | 74.7 | 82% | 0.815 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.3 | -37.8 | 176.6 | -172.8 | 179 | 177.6 | -174.8 | -1.2 | 112.7 | V27 S33 | V27-R29 HydrophobicContact CG2-CB 4.32Å; V27-R29 PolarHBondContact O-N 3.27Å; R29-S33 WeakPolarHBondContact O-CB 3.34Å; R29-S33 PolarHBondContact O-N 3.43Å |
| 30 | E | 80.8 | Confident | 77.1 | Confident | 50 Ų | 50 | 76.9 Ų | 76.9 | 23% | 0.234 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -71.7 | -38.6 | 178.4 | -68.8 | 176.6 | 135.8 | 0 | 0 | 111.2 | L26 V27 D28 S33 L34 F48 | L26-E30 WeakPolarHBondContact CA-OE2 3.48Å; L26-E30 HydrophobicContact CB-CB 4.17Å; L26-E30 HydrophobicContact CD2-CB 4.34Å; V27-E30 HydrophobicContact CG2-CB 4.06Å; V27-E30 HydrophobicContact CG2-CG 3.51Å; V27-E30 WeakPolarHBondContact CG2-OE2 3.45Å; V27-E30 PolarHBondContact N-OE2 3Å; V27-E30 WeakPolarHBondContact O-CA 3.35Å; V27-E30 WeakPolarHBondContact O-CB 3.5Å; V27-E30 PolarHBondContact O-N 3.12Å; D28-E30 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 2.78Å; E30-S33 PolarHBondContact O-N 3.35Å; E30-L34 WeakPolarHBondContact O-CB 3.47Å; E30-L34 PolarHBondContact O-N 2.81Å; E30-F48 HydrophobicContact CB-CE1 4.07Å; E30-F48 HydrophobicContact CB-CZ 3.69Å; E30-F48 HydrophobicContact CG-CE1 3.77Å; E30-F48 HydrophobicContact CG-CZ 3.73Å |
| 31 | V | 81.9 | Confident | 77.9 | Confident | 36 Ų | 36 | 82.7 Ų | 82.7 | 22% | 0.218 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 111 | A21 L26 V27 D28 L34 F35 | A21-V31 HydrophobicContact CB-CG1 3.56Å; A21-V31 HydrophobicContact CB-CG2 4.19Å; L26-V31 HydrophobicContact CB-CG2 3.74Å; L26-V31 HydrophobicContact CD1-CG2 4.34Å; V27-V31 PolarHBondContact O-N 3.2Å; D28-V31 PolarHBondContact O-N 3.38Å; V31-L34 PolarHBondContact O-N 3.07Å; V31-F35 PolarHBondContact O-N 3.31Å |
| 32 | V | 84.4 | Confident | 78.6 | Confident | 84 Ų | 84 | 86 Ų | 86 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111.2 | D28 L34 F35 L36 | D28-V32 WeakPolarHBondContact O-CG2 3.46Å; D28-V32 PolarHBondContact O-N 3.46Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 3.03Å; V32-F35 PolarHBondContact O-N 3.06Å; V32-L36 HydrophobicContact CG1-CD1 4.12Å; V32-L36 WeakPolarHBondContact O-CG 3.36Å; V32-L36 PolarHBondContact O-N 2.89Å |
| 33 | S | 82.9 | Confident | 79.1 | Confident | 35 Ų | 35 | 86.1 Ų | 86.1 | 25% | 0.245 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 112 | R29 E30 L36 H37 | R29-S33 WeakPolarHBondContact O-CB 3.34Å; R29-S33 PolarHBondContact O-N 3.43Å; E30-S33 PolarHBondContact O-N 3.35Å; S33-L36 PolarHBondContact O-N 3.31Å; S33-H37 PolarHBondContact O-N 3.41Å; S33-H37 VanDerWaalsContact O-N 3.09Å |
| 34 | L | 80.3 | Confident | 79.7 | Confident | 34 Ų | 34 | 85.8 Ų | 85.8 | 18% | 0.178 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 177.1 | -168.7 | 68.5 | 0 | 0 | 0 | 111.9 | L26 E30 V31 V32 H37 F38 F48 | L26-L34 HydrophobicContact CD1-CD2 4.23Å; E30-L34 WeakPolarHBondContact O-CB 3.47Å; E30-L34 PolarHBondContact O-N 2.81Å; V31-L34 PolarHBondContact O-N 3.07Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 3.03Å; L34-H37 PolarHBondContact O-N 2.93Å; L34-F38 HydrophobicContact CD1-CD2 4.36Å; L34-F38 HydrophobicContact CD1-CE2 3.71Å; L34-F38 HydrophobicContact CG-CD2 4.3Å; L34-F38 HydrophobicContact CG-CE2 4.02Å; L34-F38 VanDerWaalsContact O-CD2 3.23Å; L34-F38 WeakPolarHBondContact O-CD2 3.42Å; L34-F38 PolarHBondContact O-N 3Å; L34-F48 HydrophobicContact CD1-CD2 4.47Å |
| 35 | F | 82 | Confident | 80.1 | Confident | 129 Ų | 129 | 94.1 Ų | 94.1 | 57% | 0.566 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.3 | -47.4 | 177.2 | 178.1 | -96.6 | 0 | 0 | 0 | 111.8 | V31 V32 H37 F38 T39 | V31-F35 PolarHBondContact O-N 3.31Å; V32-F35 PolarHBondContact O-N 3.06Å; F35-H37 PolarHBondContact O-N 3.49Å; F35-F38 PolarHBondContact O-N 2.95Å; F35-T39 HydrophobicContact CD1-CG2 4.41Å; F35-T39 HydrophobicContact CD2-CG2 4.21Å; F35-T39 HydrophobicContact CE1-CG2 4.07Å; F35-T39 HydrophobicContact CE2-CG2 3.86Å; F35-T39 HydrophobicContact CG-CG2 4.48Å; F35-T39 HydrophobicContact CZ-CG2 3.79Å; F35-T39 WeakPolarHBondContact O-CB 3.49Å; F35-T39 WeakPolarHBondContact O-CG2 3.37Å; F35-T39 PolarHBondContact O-N 3.29Å; F35-T39 PolarHBondContact O-OG1 2.94Å |
| 36 | L | 82.7 | Confident | 80.3 | Confident | 72 Ų | 72 | 89.9 Ų | 89.9 | 38% | 0.377 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 178.2 | -70 | 173 | 0 | 0 | 0 | 111.4 | V32 S33 F38 T39 V40 P44 | V32-L36 HydrophobicContact CG1-CD1 4.12Å; V32-L36 WeakPolarHBondContact O-CG 3.36Å; V32-L36 PolarHBondContact O-N 2.89Å; S33-L36 PolarHBondContact O-N 3.31Å; L36-F38 PolarHBondContact O-N 3.47Å; L36-F38 VanDerWaalsContact O-N 3.12Å; L36-T39 WeakPolarHBondContact CA-OG1 3.23Å; L36-T39 PolarHBondContact O-N 2.68Å; L36-T39 VanDerWaalsContact O-N 3.09Å; L36-T39 PolarHBondContact O-OG1 2.8Å; L36-V40 HydrophobicContact CB-CG2 4.41Å; L36-V40 HydrophobicContact CD2-CG1 4.16Å; L36-V40 WeakPolarHBondContact O-CG2 3.39Å; L36-V40 PolarHBondContact O-N 2.66Å; L36-P44 HydrophobicContact CB-CG 4.06Å |
| 37 | H | 82.1 | Confident | 80.2 | Confident | 21 Ų | 21 | 97.5 Ų | 97.5 | 10% | 0.097 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -56.2 | -31.4 | 179.3 | -175.2 | 86.1 | 0 | 0 | 0 | 114.2 | S33 L34 F35 K43 P44 V46 | S33-H37 PolarHBondContact O-N 3.41Å; S33-H37 VanDerWaalsContact O-N 3.09Å; L34-H37 PolarHBondContact O-N 2.93Å; F35-H37 PolarHBondContact O-N 3.49Å; H37-K43 WeakPolarHBondContact O-CD 3.34Å; H37-K43 WeakPolarHBondContact O-CG 3.42Å; H37-P44 PolarHBondContact ND1-O 3.25Å; H37-P44 VanDerWaalsContact ND1-O 3.15Å; H37-V46 HydrophobicContact CB-CG1 3.71Å |
| 38 | F | 78 | Confident | 79.6 | Confident | 95 Ų | 95 | 96.1 Ų | 96.1 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -93.4 | -13 | 179.1 | -72.6 | -65.3 | 0 | 0 | 0 | 115 | L7 V12 L34 F35 L36 | L7-F38 HydrophobicContact CD1-CZ 4.12Å; V12-F38 HydrophobicContact CG2-CB 4.3Å; L34-F38 HydrophobicContact CD1-CD2 4.36Å; L34-F38 HydrophobicContact CD1-CE2 3.71Å; L34-F38 HydrophobicContact CG-CD2 4.3Å; L34-F38 HydrophobicContact CG-CE2 4.02Å; L34-F38 VanDerWaalsContact O-CD2 3.23Å; L34-F38 WeakPolarHBondContact O-CD2 3.42Å; L34-F38 PolarHBondContact O-N 3Å; F35-F38 PolarHBondContact O-N 2.95Å; L36-F38 PolarHBondContact O-N 3.47Å; L36-F38 VanDerWaalsContact O-N 3.12Å |
| 39 | T | 81.3 | Confident | 78.8 | Confident | 64 Ų | 64 | 95.7 Ų | 95.7 | 39% | 0.393 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -112.9 | -31.3 | -171.2 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | F35 L36 | F35-T39 HydrophobicContact CD1-CG2 4.41Å; F35-T39 HydrophobicContact CD2-CG2 4.21Å; F35-T39 HydrophobicContact CE1-CG2 4.07Å; F35-T39 HydrophobicContact CE2-CG2 3.86Å; F35-T39 HydrophobicContact CG-CG2 4.48Å; F35-T39 HydrophobicContact CZ-CG2 3.79Å; F35-T39 WeakPolarHBondContact O-CB 3.49Å; F35-T39 WeakPolarHBondContact O-CG2 3.37Å; F35-T39 PolarHBondContact O-N 3.29Å; F35-T39 PolarHBondContact O-OG1 2.94Å; L36-T39 WeakPolarHBondContact CA-OG1 3.23Å; L36-T39 PolarHBondContact O-N 2.68Å; L36-T39 VanDerWaalsContact O-N 3.09Å; L36-T39 PolarHBondContact O-OG1 2.8Å |
| 40 | V | 80.1 | Confident | 77.8 | Confident | 64 Ų | 64 | 90.3 Ų | 90.3 | 39% | 0.388 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -102.4 | 150.7 | -177.5 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | L36 P44 | L36-V40 HydrophobicContact CB-CG2 4.41Å; L36-V40 HydrophobicContact CD2-CG1 4.16Å; L36-V40 WeakPolarHBondContact O-CG2 3.39Å; L36-V40 PolarHBondContact O-N 2.66Å; V40-P44 VanDerWaalsContact CG2-CD 3.41Å; V40-P44 HydrophobicContact CG2-CG 4.08Å |
| 41 | N | 76.6 | Confident | 76.8 | Confident | 155 Ų | 155 | 97.4 Ų | 97.4 | 83% | 0.829 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -134.2 | 118.1 | 174.6 | -172.9 | 28.2 | 0 | 0 | 0 | 108.8 | ||
| 42 | P | 78.3 | Confident | 75.5 | Confident | 114 Ų | 114 | 99.4 Ų | 99.4 | 74% | 0.74 | 50% | 0.495 | S | S | * | . | S | Bend | cis | -71.5 | 143.5 | 11.4 | 29.6 | -35.3 | 0 | 0 | 0 | 113.6 | P44 | P42-P44 WeakPolarHBondContact O-CD 3.44Š|
| 43 | K | 81.5 | Confident | 74.3 | Confident | 128 Ų | 128 | 102.9 Ų | 102.9 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 123.9 | -179.3 | -66.4 | -175.7 | 176.9 | -177.7 | 0 | 110.4 | H37 | H37-K43 WeakPolarHBondContact O-CD 3.34Å; H37-K43 WeakPolarHBondContact O-CG 3.42Å |
| 44 | P | 81.3 | Confident | 72.6 | Confident | 49 Ų | 49 | 106.8 Ų | 106.8 | 32% | 0.318 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 148.9 | 174.9 | 24.9 | -33.5 | 0 | 0 | 0 | 110.7 | L36 H37 V40 P42 | L36-P44 HydrophobicContact CB-CG 4.06Å; H37-P44 PolarHBondContact ND1-O 3.25Å; H37-P44 VanDerWaalsContact ND1-O 3.15Å; V40-P44 VanDerWaalsContact CG2-CD 3.41Å; V40-P44 HydrophobicContact CG2-CG 4.08Å; P42-P44 WeakPolarHBondContact O-CD 3.44Å |
| 45 | R | 77.5 | Confident | 71.2 | Confident | 247 Ų | 247 | 110 Ų | 110 | 93% | 0.932 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 135.2 | 172 | -68.2 | -175.5 | 177.5 | -178.5 | -0.2 | 108.8 | ||
| 46 | V | 76.5 | Confident | 70 | Confident | 29 Ų | 29 | 108.6 Ų | 108.6 | 18% | 0.176 | 55% | 0.547 | C | S | . | . | trans | -117 | 145.8 | 176.1 | -69.1 | 0 | 0 | 0 | 0 | 109.4 | H37 F48 D50 | H37-V46 HydrophobicContact CB-CG1 3.71Å; V46-F48 HydrophobicContact CB-CD2 3.66Å; V46-F48 HydrophobicContact CB-CE2 4.11Å; V46-F48 HydrophobicContact CG1-CD2 4.2Å; V46-F48 HydrophobicContact CG1-CE2 4.32Å; V46-F48 HydrophobicContact CG2-CD2 4.19Å; V46-F48 PolarHBondContact O-N 2.98Å; V46-D50 HydrophobicContact CG2-CB 4.5Å | ||
| 47 | E | 71.2 | Confident | 68.6 | Low | 193 Ų | 193 | 116.9 Ų | 116.9 | 90% | 0.902 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -73.8 | -3.4 | 174.9 | -63.6 | -64.7 | 145.9 | 0 | 0 | 112.2 | ||
| 48 | F | 69.1 | Low | 67.8 | Low | 61 Ų | 61 | 119 Ų | 119 | 27% | 0.268 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -93.3 | 148.2 | 177.5 | -31.5 | -67 | 0 | 0 | 0 | 110.3 | E30 L34 V46 D50 | E30-F48 HydrophobicContact CB-CE1 4.07Å; E30-F48 HydrophobicContact CB-CZ 3.69Å; E30-F48 HydrophobicContact CG-CE1 3.77Å; E30-F48 HydrophobicContact CG-CZ 3.73Å; L34-F48 HydrophobicContact CD1-CD2 4.47Å; V46-F48 HydrophobicContact CB-CD2 3.66Å; V46-F48 HydrophobicContact CB-CE2 4.11Å; V46-F48 HydrophobicContact CG1-CD2 4.2Å; V46-F48 HydrophobicContact CG1-CE2 4.32Å; V46-F48 HydrophobicContact CG2-CD2 4.19Å; V46-F48 PolarHBondContact O-N 2.98Å; F48-D50 PolarHBondContact O-N 2.77Å |
| 49 | I | 64.5 | Low | 67.8 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | trans | -64.4 | 109 | 174.1 | -58.5 | 174.7 | 0 | 0 | 0 | 108.7 | R51 | I49-R51 VanDerWaalsContact C-N 3.32Å; I49-R51 HydrophobicContact CG2-CB 3.99Å | ||
| 50 | D | 61.6 | Low | 67.9 | Low | 103 Ų | 103 | 128 Ų | 128 | 55% | 0.551 | 64% | 0.637 | S | S | * | * | trans | -81.4 | -15.1 | 176.7 | 67.9 | -16.5 | 0 | 0 | 0 | 112.6 | V46 F48 P52 | V46-D50 HydrophobicContact CG2-CB 4.5Å; F48-D50 PolarHBondContact O-N 2.77Å; D50-P52 WeakPolarHBondContact O-CD 3.36Å | ||
| 51 | R | 58.4 | Low | 68.2 | Low | 199 Ų | 199 | 129.8 Ų | 129.8 | 75% | 0.751 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -70.9 | 120.5 | 173.2 | -66.6 | -171.2 | 179.4 | -176 | 0.1 | 109.9 | I49 R53 | I49-R51 VanDerWaalsContact C-N 3.32Å; I49-R51 HydrophobicContact CG2-CB 3.99Å; R51-R53 PolarHBondContact O-N 2.98Å |
| 52 | P | 54.7 | Low | 68.8 | Low | 78 Ų | 78 | 128 Ų | 128 | 51% | 0.506 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 128.1 | 174.1 | 23.2 | -30.7 | 0 | 0 | 0 | 109.1 | D50 C54 | D50-P52 WeakPolarHBondContact O-CD 3.36Å; P52-C54 PolarHBondContact O-N 2.96Å |
| 53 | R | 59.7 | Low | 69.3 | Low | 156 Ų | 156 | 130.4 Ų | 130.4 | 59% | 0.589 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138 | 170.8 | -69 | -179.6 | -70.2 | 144.3 | 7.3 | 107.9 | C5 R51 C55 | C5-R53 VanDerWaalsContact CB-NH2 3.34Å; C5-R53 PolarHBondContact SG-NH1 3Å; C5-R53 PolarHBondContact SG-NH2 3.12Å; R51-R53 PolarHBondContact O-N 2.98Å; R53-C55 PolarHBondContact O-N 3.05Å |
| 54 | C | 48.2 | Very low | 69.8 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 80% | 0.797 | 66% | 0.656 | S | S | * | * | trans | -34.1 | 130.4 | -172.9 | -73 | 0 | 0 | 0 | 0 | 112.1 | P52 L56 | P52-C54 PolarHBondContact O-N 2.96Å; C54-L56 PolarHBondContact O-N 3.46Å | ||
| 55 | C | 50.8 | Low | 70.4 | Confident | 100 Ų | 100 | 135 Ų | 135 | 68% | 0.676 | 67% | 0.671 | S | S | * | * | trans | -64.3 | 70.7 | -178.1 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | R53 R57 | R53-C55 PolarHBondContact O-N 3.05Å; C55-R57 PolarHBondContact O-N 3.42Å | ||
| 56 | L | 55.7 | Low | 71 | Confident | 101 Ų | 101 | 127.1 Ų | 127.1 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | trans | -62.4 | 90.2 | 158.5 | -74.4 | 168.7 | 0 | 0 | 0 | 105.4 | C54 G58 F91 V93 | C54-L56 PolarHBondContact O-N 3.46Å; L56-G58 PolarHBondContact O-N 3.18Å; L56-F91 HydrophobicContact CD2-CB 4.24Å; L56-F91 HydrophobicContact CD2-CD2 4.44Å; L56-F91 HydrophobicContact CD2-CG 4.19Å; L56-V93 HydrophobicContact CD1-CG1 3.47Å; L56-V93 VanDerWaalsContact CD1-CG1 3.47Å | ||
| 57 | R | 54.1 | Low | 71.8 | Confident | 245 Ų | 245 | 135.4 Ų | 135.4 | 93% | 0.925 | 68% | 0.68 | S | S | * | * | trans | -70 | 96.4 | 174.5 | -78.3 | -168.5 | 171 | -112.6 | 5.3 | 106.9 | C55 | C55-R57 PolarHBondContact O-N 3.42Š| ||
| 58 | G | 64.9 | Low | 72.7 | Confident | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 179.9 | 162.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L56 E60 | L56-G58 PolarHBondContact O-N 3.18Å; G58-E60 PolarHBondContact O-N 3.32Å |
| 59 | K | 78.1 | Confident | 73.6 | Confident | 188 Ų | 188 | 135.3 Ų | 135.3 | 82% | 0.817 | 69% | 0.686 | S | S | * | * | trans | -71.8 | 123.8 | 171.1 | -176.7 | 178 | 178.7 | -179.7 | 0 | 108.3 | C61 | K59-C61 PolarHBondContact O-N 3.3Š| ||
| 60 | E | 83.6 | Confident | 74.6 | Confident | 161 Ų | 161 | 136.5 Ų | 136.5 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -65.8 | 127.5 | 167.5 | -173.9 | 174.8 | 168.6 | 0 | 0 | 108.7 | G58 | G58-E60 PolarHBondContact O-N 3.32Š| ||
| 61 | C | 85.4 | Confident | 75.4 | Confident | 100 Ų | 100 | 135.5 Ų | 135.5 | 68% | 0.676 | 69% | 0.69 | S | S | * | * | trans | -124.8 | 134 | 179.3 | -65.5 | 0 | 0 | 0 | 0 | 108.5 | K59 | K59-C61 PolarHBondContact O-N 3.3Š| ||
| 62 | S | 89.1 | Confident | 76.7 | Confident | 119 Ų | 119 | 135.7 Ų | 135.7 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | trans | -109.3 | 143.7 | 172 | 57 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 63 | I | 90.4 | Very high | 78.3 | Confident | 164 Ų | 164 | 140.6 Ų | 140.6 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -122.3 | 122.8 | 173.1 | -63.4 | 175 | 0 | 0 | 0 | 106.7 | ||||
| 64 | N | 92 | Very high | 79.5 | Confident | 106 Ų | 106 | 136 Ų | 136 | 57% | 0.567 | 70% | 0.701 | S | S | * | * | trans | -99.5 | 124.2 | 169.2 | -172.9 | -4.6 | 0 | 0 | 0 | 109 | F66 | N64-F66 PolarHBondContact OD1-N 3.5Š| ||
| 65 | R | 93.1 | Very high | 81.2 | Confident | 167 Ų | 167 | 136 Ų | 136 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | trans | -82.5 | -16.5 | -179.6 | 69.9 | -178.4 | -178 | 90.4 | -10.5 | 113.8 | ||||
| 66 | F | 90.9 | Very high | 82.7 | Confident | 81 Ų | 81 | 136.6 Ų | 136.6 | 36% | 0.355 | 69% | 0.69 | S | S | . | * | trans | -101.4 | 131.2 | -174.8 | -64.6 | -72.2 | 0 | 0 | 0 | 110.8 | N64 Y98 | N64-F66 PolarHBondContact OD1-N 3.5Å; F66-Y98 AromaticContact CD2-CE2 3.77Å; F66-Y98 HydrophobicContact CD2-CE2 3.77Å; F66-Y98 AromaticContact CE2-CE2 3.82Å; F66-Y98 HydrophobicContact CE2-CE2 3.82Å | ||
| 67 | Q | 92.6 | Very high | 83.9 | Confident | 203 Ų | 203 | 135.7 Ų | 135.7 | 95% | 0.949 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -82.8 | -26.6 | 174 | -66.6 | 180 | -26 | 0 | 0 | 112.2 | ||
| 68 | Q | 89.4 | Confident | 85.4 | Confident | 163 Ų | 163 | 129.4 Ų | 129.4 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | trans | -138.7 | 151.2 | -179.3 | -69.8 | -177.6 | -34.1 | 0 | 0 | 110.1 | ||||
| 69 | V | 88.3 | Confident | 86.5 | Confident | 89 Ų | 89 | 129.5 Ų | 129.5 | 54% | 0.539 | 68% | 0.684 | S | S | . | * | trans | -122.1 | 124.1 | -179.3 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | Y98 | V69-Y98 HydrophobicContact CB-CE1 4.36Å; V69-Y98 HydrophobicContact CG1-CD1 4.05Å; V69-Y98 HydrophobicContact CG1-CE1 3.7Å; V69-Y98 HydrophobicContact CG2-CE1 3.66Å; V69-Y98 VanDerWaalsContact CG2-OH 3.23Å; V69-Y98 WeakPolarHBondContact CG2-OH 3.15Å | ||
| 70 | E | 86.4 | Confident | 87.2 | Confident | 159 Ų | 159 | 125.6 Ų | 125.6 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | trans | -98.4 | 174.4 | 176.3 | -75.1 | -64.8 | 166.5 | 0 | 0 | 111.4 | ||||
| 71 | S | 77.5 | Confident | 87.5 | Confident | 82 Ų | 82 | 128.2 Ų | 128.2 | 57% | 0.573 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -78.8 | -35.7 | -159.5 | 36.9 | 0 | 0 | 0 | 0 | 115.7 | I101 | S71-I101 WeakPolarHBondContact O-CD1 3.26Å; S71-I101 WeakPolarHBondContact O-CG2 3.14Å |
| 72 | R | 86.4 | Confident | 88 | Confident | 204 Ų | 204 | 128.8 Ų | 128.8 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | trans | -138.7 | 128.9 | -171.1 | -161.2 | 176 | -169.4 | 179.2 | 3.9 | 114.4 | ||||
| 73 | W | 87.1 | Confident | 88.2 | Confident | 181 Ų | 181 | 133.5 Ų | 133.5 | 69% | 0.686 | 67% | 0.67 | S | S | * | * | trans | -122.6 | 129.1 | 164.8 | -156.9 | -101.3 | 0 | 0 | 0 | 109.4 | Y75 D80 | W73-Y75 AromaticContact CD1-CE1 3.88Å; W73-D80 PolarHBondContact NE1-OD1 3.24Å | ||
| 74 | G | 84.8 | Confident | 88.4 | Confident | 60 Ų | 60 | 130.7 Ų | 130.7 | 62% | 0.619 | 65% | 0.652 | S | S | * | * | trans | -95.1 | 136.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 75 | Y | 84.9 | Confident | 88.5 | Confident | 118 Ų | 118 | 131.2 Ų | 131.2 | 46% | 0.463 | 66% | 0.664 | S | S | . | * | trans | -106.9 | 114.2 | 174.4 | -49.4 | -71.1 | 0 | 0 | 0 | 109.6 | W73 Y98 Y107 | W73-Y75 AromaticContact CD1-CE1 3.88Å; Y75-Y98 PolarHBondContact OH-O 3.22Å; Y75-Y107 HydrophobicContact CD2-CD1 4.48Å; Y75-Y107 HydrophobicContact CD2-CE1 4.11Å; Y75-Y107 HydrophobicContact CE2-CD1 4.37Å; Y75-Y107 AromaticContact CE2-CE1 3.93Å; Y75-Y107 HydrophobicContact CE2-CE1 3.93Å | ||
| 76 | S | 82.9 | Confident | 88.5 | Confident | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -118.1 | 13.7 | -179.8 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 77 | G | 79.4 | Confident | 88.7 | Confident | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 96 | -10 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 78 | T | 87 | Confident | 88.6 | Confident | 114 Ų | 114 | 128.4 Ų | 128.4 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 137.1 | 170.1 | -54.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 79 | S | 88.3 | Confident | 88.5 | Confident | 68 Ų | 68 | 131.3 Ų | 131.3 | 48% | 0.476 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 126 | 177.4 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | R81 | S79-R81 PolarHBondContact OG-NE 3.29Å; S79-R81 PolarHBondContact OG-NH2 3.39Å |
| 80 | D | 91 | Very high | 88.5 | Confident | 105 Ų | 105 | 131.3 Ų | 131.3 | 56% | 0.561 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 132.9 | 166.5 | -59.9 | -82.8 | 0 | 0 | 0 | 110.1 | W73 | W73-D80 PolarHBondContact NE1-OD1 3.24Š|
| 81 | R | 91.7 | Very high | 88.5 | Confident | 216 Ų | 216 | 130.3 Ų | 130.3 | 82% | 0.815 | 66% | 0.66 | S | S | * | * | trans | -134.2 | 142 | -174.8 | -59.2 | 178.9 | -166.2 | -172.2 | 3.3 | 111.1 | S79 | S79-R81 PolarHBondContact OG-NE 3.29Å; S79-R81 PolarHBondContact OG-NH2 3.39Å | ||
| 82 | I | 94.1 | Very high | 89 | Confident | 113 Ų | 113 | 129.3 Ų | 129.3 | 58% | 0.579 | 65% | 0.651 | S | S | * | * | trans | -141.3 | 136.9 | 172.5 | -176.8 | 60.2 | 0 | 0 | 0 | 109.2 | ||||
| 83 | R | 94.9 | Very high | 89 | Confident | 218 Ų | 218 | 123.3 Ų | 123.3 | 82% | 0.823 | 64% | 0.636 | S | S | * | * | trans | -95.7 | 132.8 | 169.6 | -169.7 | -178.6 | -65.5 | 128.2 | -1.2 | 108.3 | ||||
| 84 | F | 93.8 | Very high | 89.1 | Confident | 104 Ų | 104 | 116.4 Ų | 116.4 | 46% | 0.456 | 62% | 0.621 | S | S | . | * | trans | -134.6 | 152.1 | 171.8 | 70.4 | -86.6 | 0 | 0 | 0 | 109.8 | V86 V92 F95 | F84-V86 HydrophobicContact CD2-CG1 4.37Å; F84-V92 HydrophobicContact CE2-CG2 4.44Å; F84-V92 HydrophobicContact CZ-CG2 4.14Å; F84-F95 HydrophobicContact CE1-CE1 4.16Å; F84-F95 HydrophobicContact CE1-CZ 4.35Å | ||
| 85 | S | 94.9 | Very high | 89.3 | Confident | 118 Ų | 118 | 117.5 Ų | 117.5 | 83% | 0.825 | 61% | 0.609 | S | S | * | * | trans | -133.2 | 159.2 | 170.7 | 61.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 86 | V | 93.4 | Very high | 89.6 | Confident | 79 Ų | 79 | 115.8 Ų | 115.8 | 48% | 0.479 | 63% | 0.628 | S | S | . | * | trans | -134.5 | 144.3 | -178.2 | -69 | 0 | 0 | 0 | 0 | 109.3 | F84 K88 I90 | F84-V86 HydrophobicContact CD2-CG1 4.37Å; V86-K88 VanDerWaalsContact C-N 3.29Å; V86-K88 WeakPolarHBondContact CG2-O 3.39Å; V86-I90 HydrophobicContact CG1-CD1 3.82Å; V86-I90 HydrophobicContact CG2-CD1 4.31Å; V86-I90 HydrophobicContact CG2-CG1 4.13Å | ||
| 87 | N | 95 | Very high | 90 | Very high | 156 Ų | 156 | 115.8 Ų | 115.8 | 83% | 0.834 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -85.8 | -2.5 | 176.7 | 64.6 | -12.4 | 0 | 0 | 0 | 113 | ||
| 88 | K | 89.9 | Confident | 90.5 | Very high | 157 Ų | 157 | 116.9 Ų | 116.9 | 68% | 0.683 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -132.1 | 149.5 | 179.6 | -69.6 | -179.1 | -179.2 | 178.3 | 0 | 109.9 | V86 I90 | V86-K88 VanDerWaalsContact C-N 3.29Å; V86-K88 WeakPolarHBondContact CG2-O 3.39Å; K88-I90 PolarHBondContact O-N 3.17Å |
| 89 | R | 87.6 | Confident | 90.6 | Very high | 224 Ų | 224 | 113.7 Ų | 113.7 | 85% | 0.845 | 59% | 0.588 | S | S | * | * | trans | -66.4 | 121.9 | 173.4 | -171.8 | 176.4 | -178 | 175.3 | 2.8 | 109.5 | ||||
| 90 | I | 87.9 | Confident | 90.4 | Very high | 88 Ų | 88 | 112.2 Ų | 112.2 | 45% | 0.451 | 58% | 0.577 | S | S | . | * | trans | -128.2 | 164.4 | 175.9 | 68.1 | 170.6 | 0 | 0 | 0 | 110.5 | V86 K88 V92 | V86-I90 HydrophobicContact CG1-CD1 3.82Å; V86-I90 HydrophobicContact CG2-CD1 4.31Å; V86-I90 HydrophobicContact CG2-CG1 4.13Å; K88-I90 PolarHBondContact O-N 3.17Å; I90-V92 HydrophobicContact CD1-CG2 4.1Å; I90-V92 HydrophobicContact CG1-CG2 4.49Å | ||
| 91 | F | 86.9 | Confident | 90.2 | Very high | 139 Ų | 139 | 111.9 Ų | 111.9 | 61% | 0.61 | 58% | 0.575 | S | S | * | * | trans | -116.3 | 118.8 | 168 | -65.4 | -86.4 | 0 | 0 | 0 | 108.4 | L56 V93 | L56-F91 HydrophobicContact CD2-CB 4.24Å; L56-F91 HydrophobicContact CD2-CD2 4.44Å; L56-F91 HydrophobicContact CD2-CG 4.19Å; F91-V93 PolarHBondContact O-N 3.49Å | ||
| 92 | V | 86.6 | Confident | 89.8 | Confident | 61 Ų | 61 | 109.2 Ų | 109.2 | 37% | 0.37 | 57% | 0.571 | S | S | . | * | trans | -81.9 | 118.6 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | F84 I90 F95 I113 | F84-V92 HydrophobicContact CE2-CG2 4.44Å; F84-V92 HydrophobicContact CZ-CG2 4.14Å; I90-V92 HydrophobicContact CD1-CG2 4.1Å; I90-V92 HydrophobicContact CG1-CG2 4.49Å; V92-F95 HydrophobicContact CG1-CE1 4.37Å; V92-F95 HydrophobicContact CG1-CE2 4.08Å; V92-F95 HydrophobicContact CG1-CZ 3.9Å; V92-I113 HydrophobicContact CB-CD1 3.99Å; V92-I113 HydrophobicContact CG1-CD1 3.78Å | ||
| 93 | V | 86.8 | Confident | 89.2 | Confident | 77 Ų | 77 | 105.5 Ų | 105.5 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | trans | -95.4 | -21.8 | -180 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | L56 F91 | L56-V93 HydrophobicContact CD1-CG1 3.47Å; L56-V93 VanDerWaalsContact CD1-CG1 3.47Å; F91-V93 PolarHBondContact O-N 3.49Å | ||
| 94 | G | 89.1 | Confident | 88.7 | Confident | 36 Ų | 36 | 102 Ų | 102 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | trans | 175.7 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 95 | F | 90.4 | Very high | 88.2 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 37% | 0.368 | 57% | 0.567 | S | S | . | * | trans | -129.3 | 139.2 | 175.9 | -62.4 | -88.7 | 0 | 0 | 0 | 109.7 | F84 V92 I111 I113 | F84-F95 HydrophobicContact CE1-CE1 4.16Å; F84-F95 HydrophobicContact CE1-CZ 4.35Å; V92-F95 HydrophobicContact CG1-CE1 4.37Å; V92-F95 HydrophobicContact CG1-CE2 4.08Å; V92-F95 HydrophobicContact CG1-CZ 3.9Å; F95-I111 HydrophobicContact CD2-CG2 3.42Å; F95-I111 VanDerWaalsContact CD2-CG2 3.42Å; F95-I111 HydrophobicContact CE2-CG2 3.74Å; F95-I111 HydrophobicContact CG-CG2 4.42Å; F95-I113 HydrophobicContact CE2-CD1 3.65Å; F95-I113 HydrophobicContact CE2-CG1 3.58Å; F95-I113 HydrophobicContact CZ-CD1 3.71Å; F95-I113 HydrophobicContact CZ-CG1 3.64Å | ||
| 96 | G | 91.2 | Very high | 87.7 | Confident | 82 Ų | 82 | 103 Ų | 103 | 85% | 0.845 | 57% | 0.57 | S | S | * | * | trans | -83.9 | 133.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 97 | L | 91.1 | Very high | 87.2 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 58% | 0.576 | 57% | 0.566 | S | S | * | * | trans | -123.5 | 144.4 | 179.4 | -59.2 | 174.9 | 0 | 0 | 0 | 109.6 | V109 I111 | L97-V109 HydrophobicContact CD1-CB 4.28Å; L97-V109 HydrophobicContact CD1-CG1 3.66Å; L97-V109 HydrophobicContact CD1-CG2 4.15Å; L97-I111 HydrophobicContact CD1-CD1 4.04Å; L97-I111 HydrophobicContact CD1-CG1 4.49Å | ||
| 98 | Y | 90.1 | Very high | 86.8 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 41% | 0.412 | 57% | 0.572 | S | S | . | * | trans | -73.2 | 142.7 | 170.3 | -66.7 | -69.6 | 0 | 0 | 0 | 110.2 | F66 V69 Y75 | F66-Y98 AromaticContact CD2-CE2 3.77Å; F66-Y98 HydrophobicContact CD2-CE2 3.77Å; F66-Y98 AromaticContact CE2-CE2 3.82Å; F66-Y98 HydrophobicContact CE2-CE2 3.82Å; V69-Y98 HydrophobicContact CB-CE1 4.36Å; V69-Y98 HydrophobicContact CG1-CD1 4.05Å; V69-Y98 HydrophobicContact CG1-CE1 3.7Å; V69-Y98 HydrophobicContact CG2-CE1 3.66Å; V69-Y98 VanDerWaalsContact CG2-OH 3.23Å; V69-Y98 WeakPolarHBondContact CG2-OH 3.15Å; Y75-Y98 PolarHBondContact OH-O 3.22Å | ||
| 99 | G | 88.1 | Confident | 86.7 | Confident | 48 Ų | 48 | 103.2 Ų | 103.2 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | trans | -109.3 | -155.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 100 | S | 84.3 | Confident | 86.8 | Confident | 37 Ų | 37 | 99 Ų | 99 | 26% | 0.259 | 56% | 0.559 | S | S | . | * | trans | -67.4 | 146.7 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | H102 G103 Y107 | S100-H102 PolarHBondContact OG-N 3.11Å; S100-H102 VanDerWaalsContact OG-N 3.11Å; S100-G103 WeakPolarHBondContact CB-O 3.4Å; S100-G103 PolarHBondContact OG-O 2.97Å; S100-Y107 WeakPolarHBondContact CA-OH 3.43Å; S100-Y107 VanDerWaalsContact CB-OH 3.26Å; S100-Y107 WeakPolarHBondContact CB-OH 3.05Å | ||
| 101 | I | 86.3 | Confident | 86.9 | Confident | 98 Ų | 98 | 97.5 Ų | 97.5 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -94.4 | -12.2 | 169.6 | 62.6 | 172.3 | 0 | 0 | 0 | 113.6 | S71 | S71-I101 WeakPolarHBondContact O-CD1 3.26Å; S71-I101 WeakPolarHBondContact O-CG2 3.14Å |
| 102 | H | 84.6 | Confident | 87.1 | Confident | 159 Ų | 159 | 97.5 Ų | 97.5 | 74% | 0.736 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -103.3 | 3.6 | -173.6 | -61.1 | 103.2 | 0 | 0 | 0 | 113.3 | S100 | S100-H102 PolarHBondContact OG-N 3.11Å; S100-H102 VanDerWaalsContact OG-N 3.11Å |
| 103 | G | 80.1 | Confident | 87.2 | Confident | 36 Ų | 36 | 98.2 Ų | 98.2 | 37% | 0.371 | 56% | 0.555 | S | S | . | * | S | Bend | trans | 128.8 | -171.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S100 T105 | S100-G103 WeakPolarHBondContact CB-O 3.4Å; S100-G103 PolarHBondContact OG-O 2.97Å; G103-T105 PolarHBondContact O-N 3.05Å; G103-T105 PolarHBondContact O-OG1 3.02Å |
| 104 | P | 84.6 | Confident | 87.4 | Confident | 143 Ų | 143 | 100.7 Ų | 100.7 | 93% | 0.929 | 56% | 0.564 | S | S | * | * | trans | -59.8 | 122.8 | -179 | -21.5 | 33.2 | 0 | 0 | 0 | 110.8 | ||||
| 105 | T | 82.8 | Confident | 87.2 | Confident | 78 Ų | 78 | 107.4 Ų | 107.4 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | trans | -149.3 | 135.3 | 179.5 | -55.5 | 0 | 0 | 0 | 0 | 108.8 | G103 Y107 | G103-T105 PolarHBondContact O-N 3.05Å; G103-T105 PolarHBondContact O-OG1 3.02Å; T105-Y107 HydrophobicContact CG2-CE2 3.95Å; T105-Y107 WeakPolarHBondContact O-CD2 3.23Å | ||
| 106 | D | 84.8 | Confident | 86.4 | Confident | 167 Ų | 167 | 112.2 Ų | 112.2 | 89% | 0.893 | 62% | 0.622 | S | S | * | * | trans | -84.2 | 131.8 | 175.8 | -72.6 | -28.1 | 0 | 0 | 0 | 110.6 | ||||
| 107 | Y | 84 | Confident | 86.1 | Confident | 102 Ų | 102 | 113.7 Ų | 113.7 | 40% | 0.4 | 61% | 0.611 | S | S | . | * | trans | -116.4 | 132.6 | 175.2 | -67.5 | -89 | 0 | 0 | 0 | 109.9 | Y75 S100 T105 | Y75-Y107 HydrophobicContact CD2-CD1 4.48Å; Y75-Y107 HydrophobicContact CD2-CE1 4.11Å; Y75-Y107 HydrophobicContact CE2-CD1 4.37Å; Y75-Y107 AromaticContact CE2-CE1 3.93Å; Y75-Y107 HydrophobicContact CE2-CE1 3.93Å; S100-Y107 WeakPolarHBondContact CA-OH 3.43Å; S100-Y107 VanDerWaalsContact CB-OH 3.26Å; S100-Y107 WeakPolarHBondContact CB-OH 3.05Å; T105-Y107 HydrophobicContact CG2-CE2 3.95Å; T105-Y107 WeakPolarHBondContact O-CD2 3.23Å | ||
| 108 | Q | 86.4 | Confident | 85.9 | Confident | 204 Ų | 204 | 113.9 Ų | 113.9 | 95% | 0.953 | 61% | 0.613 | S | S | * | * | trans | -83.9 | 123.4 | 166.4 | -66.8 | -169 | -7.9 | 0 | 0 | 109 | ||||
| 109 | V | 86.9 | Confident | 85.7 | Confident | 90 Ų | 90 | 114.4 Ų | 114.4 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | trans | -130.9 | 134.6 | -178.9 | -165.4 | 0 | 0 | 0 | 0 | 110.5 | L97 I111 | L97-V109 HydrophobicContact CD1-CB 4.28Å; L97-V109 HydrophobicContact CD1-CG1 3.66Å; L97-V109 HydrophobicContact CD1-CG2 4.15Å; V109-I111 HydrophobicContact CG1-CG1 3.92Å | ||
| 110 | N | 90 | Very high | 85.5 | Confident | 134 Ų | 134 | 118.3 Ų | 118.3 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | trans | -107.7 | 117.4 | 169.3 | -168.3 | -9.4 | 0 | 0 | 0 | 109.6 | ||||
| 111 | I | 90.6 | Very high | 85.6 | Confident | 57 Ų | 57 | 123.4 Ų | 123.4 | 29% | 0.292 | 66% | 0.655 | S | S | . | * | trans | -111.4 | 126.6 | -176.4 | -59.8 | 176.6 | 0 | 0 | 0 | 108.9 | F95 L97 V109 | F95-I111 HydrophobicContact CD2-CG2 3.42Å; F95-I111 VanDerWaalsContact CD2-CG2 3.42Å; F95-I111 HydrophobicContact CE2-CG2 3.74Å; F95-I111 HydrophobicContact CG-CG2 4.42Å; L97-I111 HydrophobicContact CD1-CD1 4.04Å; L97-I111 HydrophobicContact CD1-CG1 4.49Å; V109-I111 HydrophobicContact CG1-CG1 3.92Å | ||
| 112 | Q | 90.3 | Very high | 85.5 | Confident | 139 Ų | 139 | 125.1 Ų | 125.1 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | trans | -130.2 | 139.8 | -179.7 | -62.9 | -178.8 | -6.7 | 0 | 0 | 110.6 | ||||
| 113 | I | 89.9 | Confident | 85.6 | Confident | 76 Ų | 76 | 122.6 Ų | 122.6 | 39% | 0.39 | 66% | 0.66 | S | S | . | * | trans | -110.7 | 118.4 | 169.2 | -60.5 | 176.4 | 0 | 0 | 0 | 106.5 | V92 F95 | V92-I113 HydrophobicContact CB-CD1 3.99Å; V92-I113 HydrophobicContact CG1-CD1 3.78Å; F95-I113 HydrophobicContact CE2-CD1 3.65Å; F95-I113 HydrophobicContact CE2-CG1 3.58Å; F95-I113 HydrophobicContact CZ-CD1 3.71Å; F95-I113 HydrophobicContact CZ-CG1 3.64Å | ||
| 114 | I | 90.4 | Very high | 86 | Confident | 130 Ų | 130 | 129.3 Ų | 129.3 | 67% | 0.667 | 68% | 0.682 | S | S | * | * | trans | -104.8 | 118.6 | 177.7 | -58.2 | 170.2 | 0 | 0 | 0 | 107 | T116 | I114-T116 HydrophobicContact CG2-CG2 4.33Å; I114-T116 PolarHBondContact O-N 2.9Å | ||
| 115 | H | 84.3 | Confident | 86.2 | Confident | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.815 | 66% | 0.661 | S | S | * | * | trans | -83.5 | 111.7 | 171.4 | -68.7 | -89.3 | 0 | 0 | 0 | 108.1 | ||||
| 116 | T | 73.5 | Confident | 86.5 | Confident | 185 Ų | 185 | 132.7 Ų | 132.7 | 100% | 1.135 | 68% | 0.678 | S | S | * | * | trans | -101.3 | 0 | 170.2 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | I114 | I114-T116 HydrophobicContact CG2-CG2 4.33Å; I114-T116 PolarHBondContact O-N 2.9Å |
Retrieved 116 of 116 residues in 36.7 ms
(Link to these results)