| 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 | 31.6 | Very low | 32.8 | Very low | 228 Ų | 228 | 155.7 Ų | 155.7 | 100% | 1.123 | 77% | 0.771 | S | S | * | * | 0 | -28.5 | 0 | -81.5 | -149.2 | 172.3 | 0 | 0 | 113.8 | N3 | M1-N3 VanDerWaalsContact C-N 3.35Å; M1-N3 PolarHBondContact O-N 2.81Å | |||
| 2 | L | 33.8 | Very low | 34 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -67.4 | -23.3 | 177 | -81.1 | 149.8 | 0 | 0 | 0 | 115.4 | R4 | L2-R4 VanDerWaalsContact C-N 3.29Å; L2-R4 PolarHBondContact O-N 3.35Å |
| 3 | N | 31.8 | Very low | 34.3 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -80.8 | 7.6 | 178.2 | -76.7 | -0.4 | 0 | 0 | 0 | 115.6 | M1 | M1-N3 VanDerWaalsContact C-N 3.35Å; M1-N3 PolarHBondContact O-N 2.81Å |
| 4 | R | 38.9 | Very low | 34.7 | Very low | 223 Ų | 223 | 147 Ų | 147 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -106.8 | -3.3 | 179.9 | -113.9 | -174.7 | -147.1 | -159.7 | 6.4 | 115.1 | L2 | L2-R4 VanDerWaalsContact C-N 3.29Å; L2-R4 PolarHBondContact O-N 3.35Å |
| 5 | M | 32.6 | Very low | 36 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -92.3 | -21.8 | -176.4 | -82.1 | -177.7 | 162.4 | 0 | 0 | 114.9 | ||
| 6 | D | 30.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -0.9 | -168 | -70.9 | -19.2 | 0 | 0 | 0 | 116.8 | ||
| 7 | F | 32.1 | Very low | 39.9 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -9 | 175.6 | -110.1 | -86 | 0 | 0 | 0 | 115.5 | ||
| 8 | H | 31.7 | Very low | 42 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -17.6 | -176 | -98.1 | -67.4 | 0 | 0 | 0 | 115.6 | ||
| 9 | S | 36.1 | Very low | 44 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 57% | 0.566 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69.6 | -44 | -177.6 | 174.2 | 0 | 0 | 0 | 0 | 113 | S12 | S9-S12 PolarHBondContact O-OG 3.5Å |
| 10 | N | 29.8 | Very low | 46 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 58% | 0.578 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.2 | -41.4 | -177.4 | -76 | -23.5 | 0 | 0 | 0 | 112.1 | S12 L13 Y14 | N10-S12 PolarHBondContact O-N 3Å; N10-L13 PolarHBondContact O-N 2.92Å; N10-Y14 HydrophobicContact CB-CD2 4.49Å; N10-Y14 VanDerWaalsContact O-CD2 3.23Å; N10-Y14 WeakPolarHBondContact O-CD2 3.29Å; N10-Y14 PolarHBondContact O-N 2.9Å; N10-Y14 VanDerWaalsContact O-N 3.09Å |
| 11 | N | 32.1 | Very low | 48 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.1 | -26.7 | -176.5 | -89.2 | -21.1 | 0 | 0 | 0 | 114.4 | R15 | N11-R15 WeakPolarHBondContact O-CB 3.22Å; N11-R15 PolarHBondContact O-N 2.79Å; N11-R15 VanDerWaalsContact O-N 3.12Å |
| 12 | S | 46.2 | Very low | 50.6 | Low | 78 Ų | 78 | 128.7 Ų | 128.7 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -74.3 | -41.8 | 176 | 66 | 0 | 0 | 0 | 0 | 111.9 | S9 N10 R15 G16 | S9-S12 PolarHBondContact O-OG 3.5Å; N10-S12 PolarHBondContact O-N 3Å; S12-R15 PolarHBondContact O-N 3.35Å; S12-G16 PolarHBondContact O-N 3.11Å |
| 13 | L | 38.7 | Very low | 53.2 | Low | 118 Ų | 118 | 124.2 Ų | 124.2 | 62% | 0.618 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.1 | -44.1 | 178.6 | -150.6 | 92.7 | 0 | 0 | 0 | 111.8 | N10 R15 G16 R17 | N10-L13 PolarHBondContact O-N 2.92Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-R15 PolarHBondContact O-N 3.09Å; L13-G16 PolarHBondContact O-N 2.97Å; L13-R17 PolarHBondContact O-N 3.47Å; L13-R17 VanDerWaalsContact O-N 3.14Å |
| 14 | Y | 40.3 | Very low | 55.9 | Low | 149 Ų | 149 | 120.6 Ų | 120.6 | 58% | 0.584 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.2 | -32.8 | 175.7 | -85.3 | -85.6 | 0 | 0 | 0 | 112.3 | N10 R18 | N10-Y14 HydrophobicContact CB-CD2 4.49Å; N10-Y14 VanDerWaalsContact O-CD2 3.23Å; N10-Y14 WeakPolarHBondContact O-CD2 3.29Å; N10-Y14 PolarHBondContact O-N 2.9Å; N10-Y14 VanDerWaalsContact O-N 3.09Å; Y14-R18 WeakPolarHBondContact O-CG 3.48Å; Y14-R18 PolarHBondContact O-N 2.94Å |
| 15 | R | 53.8 | Low | 58.4 | Low | 183 Ų | 183 | 112.7 Ų | 112.7 | 69% | 0.691 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.4 | -43.9 | 173.2 | -167.8 | 173.7 | -175.5 | 178.8 | 0.4 | 110.6 | N11 S12 L13 R18 M19 | N11-R15 WeakPolarHBondContact O-CB 3.22Å; N11-R15 PolarHBondContact O-N 2.79Å; N11-R15 VanDerWaalsContact O-N 3.12Å; S12-R15 PolarHBondContact O-N 3.35Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-R15 PolarHBondContact O-N 3.09Å; R15-R18 PolarHBondContact O-N 3.28Å; R15-M19 WeakPolarHBondContact O-CG 3.35Å; R15-M19 PolarHBondContact O-N 3.48Å; R15-M19 VanDerWaalsContact O-N 3.14Å |
| 16 | G | 65.9 | Low | 61.2 | Low | 33 Ų | 33 | 105.5 Ų | 105.5 | 34% | 0.34 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.1 | -54.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S12 L13 R18 M19 E20 | S12-G16 PolarHBondContact O-N 3.11Å; L13-G16 PolarHBondContact O-N 2.97Å; G16-R18 VanDerWaalsContact C-N 3.31Å; G16-R18 PolarHBondContact O-N 3.23Å; G16-M19 WeakPolarHBondContact O-CB 3.47Å; G16-M19 PolarHBondContact O-N 2.72Å; G16-E20 PolarHBondContact O-N 3.49Å |
| 17 | R | 72.7 | Confident | 64.2 | Low | 165 Ų | 165 | 99.9 Ų | 99.9 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -37.4 | -179 | -164.4 | -176.4 | -68.9 | -177.3 | -1.2 | 112.8 | L13 M19 E20 I21 | L13-R17 PolarHBondContact O-N 3.47Å; L13-R17 VanDerWaalsContact O-N 3.14Å; R17-M19 VanDerWaalsContact C-N 3.34Å; R17-E20 PolarHBondContact O-N 3.37Å; R17-I21 HydrophobicContact CG-CD1 4.36Å; R17-I21 WeakPolarHBondContact O-CD1 3.39Å; R17-I21 VanDerWaalsContact O-CG1 3.29Å; R17-I21 WeakPolarHBondContact O-CG1 3.37Å; R17-I21 PolarHBondContact O-N 3.09Å; R17-I21 VanDerWaalsContact O-N 3.13Å |
| 18 | R | 77.7 | Confident | 67.1 | Low | 183 Ų | 183 | 94.5 Ų | 94.5 | 69% | 0.691 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.2 | -36.7 | 175 | -77.4 | -178.6 | 177.7 | -178.2 | 1.6 | 112.3 | Y14 R15 G16 L22 | Y14-R18 WeakPolarHBondContact O-CG 3.48Å; Y14-R18 PolarHBondContact O-N 2.94Å; R15-R18 PolarHBondContact O-N 3.28Å; G16-R18 VanDerWaalsContact C-N 3.31Å; G16-R18 PolarHBondContact O-N 3.23Å; R18-L22 WeakPolarHBondContact O-CG 3.43Å; R18-L22 PolarHBondContact O-N 3.07Å |
| 19 | M | 79.2 | Confident | 70.1 | Confident | 63 Ų | 63 | 88.3 Ų | 88.3 | 31% | 0.31 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 178.1 | -60.3 | -66.5 | -95.8 | 0 | 0 | 110.7 | R15 G16 R17 I21 L22 L23 L309 | R15-M19 WeakPolarHBondContact O-CG 3.35Å; R15-M19 PolarHBondContact O-N 3.48Å; R15-M19 VanDerWaalsContact O-N 3.14Å; G16-M19 WeakPolarHBondContact O-CB 3.47Å; G16-M19 PolarHBondContact O-N 2.72Å; R17-M19 VanDerWaalsContact C-N 3.34Å; M19-I21 PolarHBondContact O-N 2.71Å; M19-L22 PolarHBondContact O-N 2.88Å; M19-L22 VanDerWaalsContact O-N 3.15Å; M19-L23 VanDerWaalsContact O-CG 3.32Å; M19-L23 WeakPolarHBondContact O-CG 3.35Å; M19-L23 PolarHBondContact O-N 3.34Å; M19-L309 HydrophobicContact CB-CD2 4.22Å; M19-L309 HydrophobicContact CE-CD2 3.3Å; M19-L309 HydrophobicContact CG-CD2 4.36Å; M19-L309 HydrophobicContact SD-CD2 3.4Å; M19-L309 WeakPolarHBondContact SD-CD2 3.43Å |
| 20 | E | 84.3 | Confident | 72.8 | Confident | 125 Ų | 125 | 85.1 Ų | 85.1 | 58% | 0.584 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -57.3 | -46.2 | 175.2 | -70.7 | 173.3 | 175.4 | 0 | 0 | 112.2 | G16 R17 L22 L23 V24 | G16-E20 PolarHBondContact O-N 3.49Å; R17-E20 PolarHBondContact O-N 3.37Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 3.45Å; E20-L23 WeakPolarHBondContact O-CB 3.39Å; E20-L23 PolarHBondContact O-N 3.26Å; E20-L23 VanDerWaalsContact O-N 3.16Å; E20-V24 WeakPolarHBondContact O-CG2 3.46Å; E20-V24 PolarHBondContact O-N 3.04Å |
| 21 | I | 87.3 | Confident | 75.9 | Confident | 99 Ų | 99 | 83.1 Ų | 83.1 | 51% | 0.508 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 176.6 | -66.7 | 164.6 | 0 | 0 | 0 | 110.9 | R17 M19 L23 V24 V25 | R17-I21 HydrophobicContact CG-CD1 4.36Å; R17-I21 WeakPolarHBondContact O-CD1 3.39Å; R17-I21 VanDerWaalsContact O-CG1 3.29Å; R17-I21 WeakPolarHBondContact O-CG1 3.37Å; R17-I21 PolarHBondContact O-N 3.09Å; R17-I21 VanDerWaalsContact O-N 3.13Å; M19-I21 PolarHBondContact O-N 2.71Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 2.96Å; I21-V24 PolarHBondContact O-N 3.48Å; I21-V25 HydrophobicContact CG2-CG2 4.3Å; I21-V25 WeakPolarHBondContact O-CB 3.43Å; I21-V25 VanDerWaalsContact O-CG2 3.23Å; I21-V25 WeakPolarHBondContact O-CG2 3.32Å; I21-V25 PolarHBondContact O-N 3.41Å |
| 22 | L | 87.4 | Confident | 78.8 | Confident | 21 Ų | 21 | 80.5 Ų | 80.5 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.9 | -34.6 | 178.1 | -71.1 | 169.4 | 0 | 0 | 0 | 112.6 | R18 M19 E20 L26 L304 V305 R308 L309 | R18-L22 WeakPolarHBondContact O-CG 3.43Å; R18-L22 PolarHBondContact O-N 3.07Å; M19-L22 PolarHBondContact O-N 2.88Å; M19-L22 VanDerWaalsContact O-N 3.15Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 3.45Å; L22-L26 WeakPolarHBondContact O-CB 3.38Å; L22-L26 PolarHBondContact O-N 3.38Å; L22-L304 HydrophobicContact CD2-CD2 4.16Å; L22-V305 HydrophobicContact CD2-CG2 4.35Å; L22-R308 HydrophobicContact CD1-CB 4.04Å; L22-L309 HydrophobicContact CB-CD1 4.26Å; L22-L309 HydrophobicContact CB-CD2 4.47Å; L22-L309 HydrophobicContact CB-CG 4.45Å; L22-L309 HydrophobicContact CD1-CD2 4.44Å |
| 23 | L | 87.1 | Confident | 81.1 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 34% | 0.335 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 175.6 | -65.6 | 167.7 | 0 | 0 | 0 | 111.1 | M19 E20 I21 L26 A27 L309 L317 | M19-L23 VanDerWaalsContact O-CG 3.32Å; M19-L23 WeakPolarHBondContact O-CG 3.35Å; M19-L23 PolarHBondContact O-N 3.34Å; E20-L23 WeakPolarHBondContact O-CB 3.39Å; E20-L23 PolarHBondContact O-N 3.26Å; E20-L23 VanDerWaalsContact O-N 3.16Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 2.96Å; L23-L26 PolarHBondContact O-N 2.89Å; L23-A27 PolarHBondContact O-N 3.43Å; L23-L309 HydrophobicContact CD2-CD1 3.54Å; L23-L309 HydrophobicContact CG-CD1 4.11Å; L23-L317 HydrophobicContact CB-CD2 3.97Å; L23-L317 HydrophobicContact CD2-CD2 3.43Å; L23-L317 VanDerWaalsContact CD2-CD2 3.43Å; L23-L317 HydrophobicContact CG-CD2 4.29Å |
| 24 | V | 90 | Very high | 83.7 | Confident | 94 Ų | 94 | 71.8 Ų | 71.8 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | E20 I21 L26 A27 V28 | E20-V24 WeakPolarHBondContact O-CG2 3.46Å; E20-V24 PolarHBondContact O-N 3.04Å; I21-V24 PolarHBondContact O-N 3.48Å; V24-L26 VanDerWaalsContact C-N 3.34Å; V24-L26 PolarHBondContact O-N 3.21Å; V24-A27 PolarHBondContact O-N 3.29Å; V24-V28 HydrophobicContact CG1-CG2 4.43Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 2.92Å |
| 25 | V | 90.8 | Very high | 86.2 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 35% | 0.345 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.5 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | I21 A27 V28 I29 | I21-V25 HydrophobicContact CG2-CG2 4.3Å; I21-V25 WeakPolarHBondContact O-CB 3.43Å; I21-V25 VanDerWaalsContact O-CG2 3.23Å; I21-V25 WeakPolarHBondContact O-CG2 3.32Å; I21-V25 PolarHBondContact O-N 3.41Å; V25-A27 VanDerWaalsContact C-N 3.33Å; V25-A27 PolarHBondContact O-N 3.4Å; V25-V28 PolarHBondContact O-N 2.93Å; V25-I29 HydrophobicContact CG1-CD1 3.56Å; V25-I29 HydrophobicContact CG1-CG1 4.47Å; V25-I29 WeakPolarHBondContact O-CD1 3.34Å; V25-I29 VanDerWaalsContact O-CG1 3.24Å; V25-I29 WeakPolarHBondContact O-CG1 3.34Å; V25-I29 PolarHBondContact O-N 2.81Å |
| 26 | L | 91.3 | Very high | 88 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 176.1 | -179.4 | 65.6 | 0 | 0 | 0 | 111.4 | L22 L23 V24 V28 I29 K30 V305 V314 L317 | L22-L26 WeakPolarHBondContact O-CB 3.38Å; L22-L26 PolarHBondContact O-N 3.38Å; L23-L26 PolarHBondContact O-N 2.89Å; V24-L26 VanDerWaalsContact C-N 3.34Å; V24-L26 PolarHBondContact O-N 3.21Å; L26-V28 PolarHBondContact O-N 3.42Å; L26-I29 PolarHBondContact O-N 3.35Å; L26-K30 HydrophobicContact CD1-CG 4.25Å; L26-K30 WeakPolarHBondContact O-CB 3.13Å; L26-K30 WeakPolarHBondContact O-CG 3.28Å; L26-K30 PolarHBondContact O-N 3.21Å; L26-V305 HydrophobicContact CB-CG1 4.4Å; L26-V305 HydrophobicContact CD2-CG1 4.31Å; L26-V314 HydrophobicContact CD1-CG1 4.29Å; L26-V314 HydrophobicContact CD2-CB 4.36Å; L26-V314 HydrophobicContact CD2-CG1 3.93Å; L26-V314 HydrophobicContact CD2-CG2 4.32Å; L26-L317 HydrophobicContact CD2-CB 4.34Å; L26-L317 HydrophobicContact CD2-CD2 4.07Å; L26-L317 HydrophobicContact CD2-CG 4.33Å |
| 27 | A | 92.8 | Very high | 89.3 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L23 V24 V25 K30 L31 T321 | L23-A27 PolarHBondContact O-N 3.43Å; V24-A27 PolarHBondContact O-N 3.29Å; V25-A27 VanDerWaalsContact C-N 3.33Å; V25-A27 PolarHBondContact O-N 3.4Å; A27-K30 PolarHBondContact O-N 3.48Å; A27-L31 WeakPolarHBondContact O-CB 3.23Å; A27-L31 PolarHBondContact O-N 3.37Å; A27-T321 HydrophobicContact CB-CG2 4.21Å |
| 28 | V | 94 | Very high | 90.1 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 44% | 0.436 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | V24 V25 L26 K30 L31 L32 | V24-V28 HydrophobicContact CG1-CG2 4.43Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 2.92Å; V25-V28 PolarHBondContact O-N 2.93Å; L26-V28 PolarHBondContact O-N 3.42Å; V28-K30 VanDerWaalsContact C-N 3.35Å; V28-K30 PolarHBondContact O-N 3.01Å; V28-L31 WeakPolarHBondContact O-CB 3.39Å; V28-L31 PolarHBondContact O-N 2.9Å; V28-L32 HydrophobicContact CG1-CD1 4.15Å; V28-L32 WeakPolarHBondContact O-CG 3.44Å; V28-L32 PolarHBondContact O-N 3.43Å |
| 29 | I | 93.8 | Very high | 90.6 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.097 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | 179 | -68 | 161.2 | 0 | 0 | 0 | 110.7 | V25 L26 L32 K33 I297 D298 M301 | V25-I29 HydrophobicContact CG1-CD1 3.56Å; V25-I29 HydrophobicContact CG1-CG1 4.47Å; V25-I29 WeakPolarHBondContact O-CD1 3.34Å; V25-I29 VanDerWaalsContact O-CG1 3.24Å; V25-I29 WeakPolarHBondContact O-CG1 3.34Å; V25-I29 PolarHBondContact O-N 2.81Å; L26-I29 PolarHBondContact O-N 3.35Å; I29-L32 PolarHBondContact O-N 3.18Å; I29-K33 WeakPolarHBondContact O-CB 3.15Å; I29-K33 PolarHBondContact O-N 3.08Å; I29-I297 HydrophobicContact CG2-CG2 4.45Å; I29-D298 HydrophobicContact CG2-CB 4.38Å; I29-M301 HydrophobicContact CD1-CB 3.38Å; I29-M301 HydrophobicContact CD1-CG 3.54Å; I29-M301 HydrophobicContact CD1-SD 4.4Å |
| 30 | K | 94.5 | Very high | 91.1 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.8 | -34.9 | 177.5 | -71 | -51.5 | -178.1 | -174.1 | 0 | 112.7 | L26 A27 V28 K33 V34 D298 T302 A318 T321 V322 | L26-K30 HydrophobicContact CD1-CG 4.25Å; L26-K30 WeakPolarHBondContact O-CB 3.13Å; L26-K30 WeakPolarHBondContact O-CG 3.28Å; L26-K30 PolarHBondContact O-N 3.21Å; A27-K30 PolarHBondContact O-N 3.48Å; V28-K30 VanDerWaalsContact C-N 3.35Å; V28-K30 PolarHBondContact O-N 3.01Å; K30-K33 PolarHBondContact O-N 3.11Å; K30-V34 WeakPolarHBondContact O-CG2 3.16Å; K30-V34 PolarHBondContact O-N 3.06Å; K30-D298 WeakPolarHBondContact CE-OD1 3.37Å; K30-D298 VanDerWaalsContact NZ-CG 3.25Å; K30-D298 IonicContact NZ-OD1 3.96Å; K30-D298 PolarHBondContact NZ-OD1 3.21Å; K30-D298 IonicContact NZ-OD2 3.57Å; K30-D298 PolarHBondContact NZ-OD2 2.91Å; K30-T302 PolarHBondContact NZ-OG1 3.22Å; K30-A318 HydrophobicContact CD-CB 4.37Å; K30-A318 HydrophobicContact CG-CB 4.12Å; K30-T321 HydrophobicContact CB-CG2 4.06Å; K30-V322 HydrophobicContact CB-CG2 3.66Å; K30-V322 HydrophobicContact CD-CG2 3.79Å; K30-V322 HydrophobicContact CG-CG2 3.94Å |
| 31 | L | 94.2 | Very high | 91.3 | Very high | 65 Ų | 65 | 32.1 Ų | 32.1 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 169.1 | 168.9 | 68.8 | 0 | 0 | 0 | 111.6 | A27 V28 K33 V34 I35 T325 F329 | A27-L31 WeakPolarHBondContact O-CB 3.23Å; A27-L31 PolarHBondContact O-N 3.37Å; V28-L31 WeakPolarHBondContact O-CB 3.39Å; V28-L31 PolarHBondContact O-N 2.9Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 2.71Å; L31-V34 WeakPolarHBondContact O-CB 3.07Å; L31-V34 PolarHBondContact O-N 3.46Å; L31-I35 PolarHBondContact O-N 3.21Å; L31-I35 VanDerWaalsContact O-N 3.17Å; L31-T325 HydrophobicContact CB-CG2 4.49Å; L31-T325 HydrophobicContact CD1-CG2 3.23Å; L31-T325 HydrophobicContact CG-CG2 4.4Å; L31-F329 HydrophobicContact CD1-CE2 4.18Å |
| 32 | L | 93.6 | Very high | 91 | Very high | 60 Ų | 60 | 28 Ų | 28 | 31% | 0.314 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 178.3 | -68.3 | 169.8 | 0 | 0 | 0 | 112.3 | V28 I29 I35 S36 Y290 M294 | V28-L32 HydrophobicContact CG1-CD1 4.15Å; V28-L32 WeakPolarHBondContact O-CG 3.44Å; V28-L32 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 3.18Å; L32-I35 HydrophobicContact CD2-CD1 4.4Å; L32-I35 PolarHBondContact O-N 3.33Å; L32-S36 PolarHBondContact O-N 2.89Å; L32-Y290 PolarHBondContact O-OH 3.04Å; L32-M294 HydrophobicContact CB-SD 3.76Å; L32-M294 HydrophobicContact CD1-SD 4.23Å |
| 33 | K | 93.6 | Very high | 90.8 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 173.5 | 174.6 | 62.8 | -177.9 | -178.9 | 0 | 111.2 | I29 K30 L31 I35 S36 V37 E115 H295 | I29-K33 WeakPolarHBondContact O-CB 3.15Å; I29-K33 PolarHBondContact O-N 3.08Å; K30-K33 PolarHBondContact O-N 3.11Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 2.71Å; K33-I35 VanDerWaalsContact C-N 3.34Å; K33-I35 PolarHBondContact O-N 3.06Å; K33-S36 PolarHBondContact O-N 3.09Å; K33-S36 VanDerWaalsContact O-N 3.16Å; K33-S36 PolarHBondContact O-OG 3.38Å; K33-V37 WeakPolarHBondContact O-CG2 3.4Å; K33-V37 PolarHBondContact O-N 2.81Å; K33-E115 WeakPolarHBondContact CE-OE1 3.49Å; K33-E115 IonicContact NZ-OE1 3.76Å; K33-E115 PolarHBondContact NZ-OE1 2.91Å; K33-H295 PolarHBondContact NZ-CD2 3.49Å; K33-H295 PolarHBondContact NZ-NE2 3.48Å |
| 34 | V | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | K30 L31 S36 V37 Y38 I111 V322 T325 | K30-V34 WeakPolarHBondContact O-CG2 3.16Å; K30-V34 PolarHBondContact O-N 3.06Å; L31-V34 WeakPolarHBondContact O-CB 3.07Å; L31-V34 PolarHBondContact O-N 3.46Å; V34-S36 VanDerWaalsContact C-N 3.27Å; V34-S36 PolarHBondContact O-N 3.17Å; V34-V37 WeakPolarHBondContact O-CB 3.47Å; V34-V37 PolarHBondContact O-N 2.96Å; V34-Y38 HydrophobicContact CG1-CD2 3.96Å; V34-Y38 HydrophobicContact CG1-CE2 3.89Å; V34-Y38 WeakPolarHBondContact O-CD2 3.32Å; V34-Y38 PolarHBondContact O-N 3.38Å; V34-Y38 VanDerWaalsContact O-N 3.11Å; V34-I111 HydrophobicContact CB-CD1 4.18Å; V34-I111 HydrophobicContact CG1-CD1 3.73Å; V34-I111 HydrophobicContact CG2-CD1 3.96Å; V34-V322 HydrophobicContact CG2-CB 4.18Å; V34-V322 HydrophobicContact CG2-CG1 3.53Å; V34-T325 HydrophobicContact CB-CG2 3.81Å; V34-T325 HydrophobicContact CG1-CG2 3.8Å; V34-T325 HydrophobicContact CG2-CG2 4.03Å |
| 35 | I | 91.3 | Very high | 90 | Very high | 42 Ų | 42 | 22.8 Ų | 22.8 | 22% | 0.215 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 176.5 | -63.8 | 168 | 0 | 0 | 0 | 110.9 | L31 L32 K33 V37 Y38 A39 Y290 F329 | L31-I35 PolarHBondContact O-N 3.21Å; L31-I35 VanDerWaalsContact O-N 3.17Å; L32-I35 HydrophobicContact CD2-CD1 4.4Å; L32-I35 PolarHBondContact O-N 3.33Å; K33-I35 VanDerWaalsContact C-N 3.34Å; K33-I35 PolarHBondContact O-N 3.06Å; I35-V37 VanDerWaalsContact C-N 3.3Å; I35-V37 PolarHBondContact O-N 3.35Å; I35-Y38 PolarHBondContact O-N 2.97Å; I35-A39 WeakPolarHBondContact O-CB 3.31Å; I35-A39 PolarHBondContact O-N 3.35Å; I35-Y290 HydrophobicContact CG2-CE1 4.22Å; I35-F329 HydrophobicContact CD1-CE2 4.47Å; I35-F329 HydrophobicContact CD1-CZ 3.86Å; I35-F329 HydrophobicContact CG1-CE1 3.85Å; I35-F329 HydrophobicContact CG1-CE2 4.08Å; I35-F329 HydrophobicContact CG1-CZ 3.45Å; I35-F329 VanDerWaalsContact CG1-CZ 3.45Å |
| 36 | S | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.4 | -32.7 | 177.8 | 78.1 | 0 | 0 | 0 | 0 | 113.5 | L32 K33 V34 T40 | L32-S36 PolarHBondContact O-N 2.89Å; K33-S36 PolarHBondContact O-N 3.09Å; K33-S36 VanDerWaalsContact O-N 3.16Å; K33-S36 PolarHBondContact O-OG 3.38Å; V34-S36 VanDerWaalsContact C-N 3.27Å; V34-S36 PolarHBondContact O-N 3.17Å; S36-T40 WeakPolarHBondContact O-CB 3.5Å; S36-T40 PolarHBondContact O-N 3Å; S36-T40 PolarHBondContact O-OG1 2.84Å |
| 37 | V | 92.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.5 | -45 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | K33 V34 I35 T40 Y41 L102 P107 F110 I111 | K33-V37 WeakPolarHBondContact O-CG2 3.4Å; K33-V37 PolarHBondContact O-N 2.81Å; V34-V37 WeakPolarHBondContact O-CB 3.47Å; V34-V37 PolarHBondContact O-N 2.96Å; I35-V37 VanDerWaalsContact C-N 3.3Å; I35-V37 PolarHBondContact O-N 3.35Å; V37-T40 WeakPolarHBondContact O-CB 3.44Å; V37-T40 PolarHBondContact O-N 2.88Å; V37-T40 VanDerWaalsContact O-N 3.14Å; V37-Y41 PolarHBondContact O-N 2.87Å; V37-L102 HydrophobicContact CG1-CD1 4.12Å; V37-P107 HydrophobicContact CG1-CB 4.12Å; V37-F110 HydrophobicContact CG1-CD1 3.48Å; V37-F110 VanDerWaalsContact CG1-CD1 3.48Å; V37-F110 HydrophobicContact CG1-CE1 3.86Å; V37-F110 HydrophobicContact CG1-CG 4.39Å; V37-F110 HydrophobicContact CG2-CD1 4.36Å; V37-F110 HydrophobicContact CG2-CE1 3.96Å; V37-I111 HydrophobicContact CB-CD1 4.19Å; V37-I111 HydrophobicContact CG1-CD1 4.04Å; V37-I111 HydrophobicContact CG1-CG1 4.18Å |
| 38 | Y | 90.2 | Very high | 87.8 | Confident | 6 Ų | 6 | 27 Ų | 27 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 174.9 | -84.3 | -104.7 | 0 | 0 | 0 | 111.3 | V34 I35 T40 Y41 E42 P107 I111 S326 F329 S330 W333 | V34-Y38 HydrophobicContact CG1-CD2 3.96Å; V34-Y38 HydrophobicContact CG1-CE2 3.89Å; V34-Y38 WeakPolarHBondContact O-CD2 3.32Å; V34-Y38 PolarHBondContact O-N 3.38Å; V34-Y38 VanDerWaalsContact O-N 3.11Å; I35-Y38 PolarHBondContact O-N 2.97Å; Y38-T40 VanDerWaalsContact C-N 3.28Å; Y38-T40 PolarHBondContact O-N 2.98Å; Y38-Y41 WeakPolarHBondContact O-CB 3.34Å; Y38-Y41 PolarHBondContact O-N 3.29Å; Y38-Y41 VanDerWaalsContact O-N 3.15Å; Y38-E42 PolarHBondContact O-N 3.28Å; Y38-P107 HydrophobicContact CD1-CB 4.11Å; Y38-P107 HydrophobicContact CD1-CG 3.72Å; Y38-P107 HydrophobicContact CD2-CB 3.86Å; Y38-P107 HydrophobicContact CD2-CG 4.35Å; Y38-P107 HydrophobicContact CE1-CB 4.08Å; Y38-P107 HydrophobicContact CE1-CG 3.53Å; Y38-P107 HydrophobicContact CE2-CB 3.83Å; Y38-P107 HydrophobicContact CE2-CG 4.2Å; Y38-P107 HydrophobicContact CG-CB 4Å; Y38-P107 HydrophobicContact CG-CG 4.13Å; Y38-I111 HydrophobicContact CD2-CD1 4.41Å; Y38-I111 HydrophobicContact CE2-CD1 4.02Å; Y38-S326 PolarHBondContact OH-O 2.82Å; Y38-S326 PolarHBondContact OH-OG 2.68Å; Y38-F329 HydrophobicContact CE1-CB 4.33Å; Y38-F329 HydrophobicContact CE2-CB 4.09Å; Y38-S330 WeakPolarHBondContact OH-CB 3.37Å; Y38-S330 PolarHBondContact OH-N 2.9Å; Y38-W333 AromaticContact CD1-CD2 4Å; Y38-W333 HydrophobicContact CD1-CD2 4Å; Y38-W333 HydrophobicContact CD1-CE3 4.22Å; Y38-W333 HydrophobicContact CD1-CG 4.17Å; Y38-W333 HydrophobicContact CE1-CB 4.4Å; Y38-W333 HydrophobicContact CE1-CG 4.37Å |
| 39 | A | 88.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I35 E42 L43 W287 I291 | I35-A39 WeakPolarHBondContact O-CB 3.31Å; I35-A39 PolarHBondContact O-N 3.35Å; A39-E42 PolarHBondContact O-N 2.79Å; A39-L43 WeakPolarHBondContact O-CG 3.48Å; A39-L43 PolarHBondContact O-N 3.35Å; A39-W287 HydrophobicContact CB-CE3 3.77Å; A39-W287 HydrophobicContact CB-CZ3 3.94Å; A39-I291 HydrophobicContact CB-CD1 3.97Å; A39-I291 HydrophobicContact CB-CG1 4.07Å |
| 40 | T | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 111 | S36 V37 Y38 E42 L43 L44 I52 W98 L102 I291 | S36-T40 WeakPolarHBondContact O-CB 3.5Å; S36-T40 PolarHBondContact O-N 3Å; S36-T40 PolarHBondContact O-OG1 2.84Å; V37-T40 WeakPolarHBondContact O-CB 3.44Å; V37-T40 PolarHBondContact O-N 2.88Å; V37-T40 VanDerWaalsContact O-N 3.14Å; Y38-T40 VanDerWaalsContact C-N 3.28Å; Y38-T40 PolarHBondContact O-N 2.98Å; T40-E42 VanDerWaalsContact C-N 3.34Å; T40-E42 PolarHBondContact O-N 3.43Å; T40-L43 PolarHBondContact O-N 3.27Å; T40-L44 HydrophobicContact CG2-CD1 4.06Å; T40-L44 WeakPolarHBondContact O-CD1 3.36Å; T40-L44 VanDerWaalsContact O-CG 3.28Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 3.28Å; T40-I52 HydrophobicContact CG2-CG2 4.44Å; T40-W98 HydrophobicContact CG2-CH2 4.3Å; T40-L102 HydrophobicContact CG2-CD2 3.88Å; T40-I291 VanDerWaalsContact OG1-CG2 3.29Å; T40-I291 WeakPolarHBondContact OG1-CG2 3.43Å |
| 41 | Y | 87.3 | Confident | 86.8 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 7% | 0.067 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 176.2 | -178.9 | -106.3 | 0 | 0 | 0 | 112.3 | V37 Y38 L44 K45 L102 P107 L356 P357 | V37-Y41 PolarHBondContact O-N 2.87Å; Y38-Y41 WeakPolarHBondContact O-CB 3.34Å; Y38-Y41 PolarHBondContact O-N 3.29Å; Y38-Y41 VanDerWaalsContact O-N 3.15Å; Y41-L44 WeakPolarHBondContact O-CB 3.42Å; Y41-L44 PolarHBondContact O-N 3.05Å; Y41-K45 PolarHBondContact O-N 2.88Å; Y41-L102 HydrophobicContact CD2-CD1 4.18Å; Y41-L102 HydrophobicContact CD2-CG 4.19Å; Y41-L102 WeakPolarHBondContact CD2-O 3.27Å; Y41-P107 HydrophobicContact CD1-CG 4.17Å; Y41-P107 HydrophobicContact CG-CG 4.19Å; Y41-L356 HydrophobicContact CD2-CD1 4.24Å; Y41-L356 HydrophobicContact CE2-CD1 3.7Å; Y41-P357 PolarHBondContact OH-O 2.59Å |
| 42 | E | 82.3 | Confident | 86.5 | Confident | 13 Ų | 13 | 22.6 Ų | 22.6 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.6 | -68.1 | -56.9 | 144.4 | 0 | 0 | 112.5 | Y38 A39 T40 L44 K45 W333 V343 | Y38-E42 PolarHBondContact O-N 3.28Å; A39-E42 PolarHBondContact O-N 2.79Å; T40-E42 VanDerWaalsContact C-N 3.34Å; T40-E42 PolarHBondContact O-N 3.43Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 3.45Å; E42-K45 WeakPolarHBondContact O-CB 3.2Å; E42-K45 PolarHBondContact O-N 3.25Å; E42-K45 IonicContact OE1-NZ 3.42Å; E42-K45 PolarHBondContact OE1-NZ 3.43Å; E42-K45 WeakPolarHBondContact OE2-CD 3.35Å; E42-K45 VanDerWaalsContact OE2-CE 3.3Å; E42-K45 WeakPolarHBondContact OE2-CE 3.29Å; E42-K45 IonicContact OE2-NZ 2.7Å; E42-K45 PolarHBondContact OE2-NZ 3.47Å; E42-W333 HydrophobicContact CG-CZ2 3.71Å; E42-W333 PolarHBondContact OE1-NE1 3.1Å; E42-V343 HydrophobicContact CB-CG1 3.75Å; E42-V343 HydrophobicContact CG-CG1 4.07Å |
| 43 | L | 83.1 | Confident | 86.4 | Confident | 11 Ų | 11 | 20.2 Ų | 20.2 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -33.4 | 175.7 | -70 | -179 | 0 | 0 | 0 | 112.4 | A39 T40 K45 N46 S47 I52 W287 M288 I291 | A39-L43 WeakPolarHBondContact O-CG 3.48Å; A39-L43 PolarHBondContact O-N 3.35Å; T40-L43 PolarHBondContact O-N 3.27Å; L43-K45 PolarHBondContact O-N 2.89Å; L43-N46 PolarHBondContact O-N 3.17Å; L43-N46 VanDerWaalsContact O-N 3.14Å; L43-S47 WeakPolarHBondContact O-CB 3.34Å; L43-S47 PolarHBondContact O-N 2.72Å; L43-S47 PolarHBondContact O-OG 2.91Å; L43-I52 HydrophobicContact CB-CD1 4.02Å; L43-W287 HydrophobicContact CD1-CB 4.01Å; L43-W287 HydrophobicContact CD2-CB 4.26Å; L43-W287 HydrophobicContact CG-CB 4.46Å; L43-M288 HydrophobicContact CD1-CG 4.04Å; L43-M288 HydrophobicContact CD1-SD 3.45Å; L43-M288 WeakPolarHBondContact CD1-SD 2.83Å; L43-I291 HydrophobicContact CD1-CD1 3.38Å; L43-I291 HydrophobicContact CG-CD1 4.36Å |
| 44 | L | 83.4 | Confident | 86.3 | Confident | 8 Ų | 8 | 20.3 Ų | 20.3 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.9 | -26 | 177.8 | -75.6 | 161.4 | 0 | 0 | 0 | 112.7 | T40 Y41 E42 N46 P49 I52 I99 L102 I103 | T40-L44 HydrophobicContact CG2-CD1 4.06Å; T40-L44 WeakPolarHBondContact O-CD1 3.36Å; T40-L44 VanDerWaalsContact O-CG 3.28Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 3.28Å; Y41-L44 WeakPolarHBondContact O-CB 3.42Å; Y41-L44 PolarHBondContact O-N 3.05Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 3.45Å; L44-N46 VanDerWaalsContact C-N 3.25Å; L44-N46 PolarHBondContact O-N 3.33Å; L44-P49 HydrophobicContact CD2-CB 4.26Å; L44-P49 HydrophobicContact CD2-CG 4.05Å; L44-I52 HydrophobicContact CB-CD1 4.31Å; L44-I52 HydrophobicContact CD2-CD1 3.37Å; L44-I52 HydrophobicContact CG-CD1 3.54Å; L44-I99 HydrophobicContact CD1-CG2 4.14Å; L44-I99 HydrophobicContact CD2-CG2 3.6Å; L44-L102 HydrophobicContact CD1-CB 4.49Å; L44-L102 HydrophobicContact CD1-CD2 3.71Å; L44-L102 HydrophobicContact CD1-CG 4.04Å; L44-I103 HydrophobicContact CB-CG1 4.19Å; L44-I103 HydrophobicContact CD1-CG1 3.86Å; L44-I103 HydrophobicContact CD2-CD1 3.93Å; L44-I103 HydrophobicContact CD2-CG1 4.04Å; L44-I103 HydrophobicContact CG-CG1 4.25Å |
| 45 | K | 75.3 | Confident | 86.1 | Confident | 49 Ų | 49 | 21.3 Ų | 21.3 | 21% | 0.213 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.4 | -39.5 | 172.4 | -64.9 | 176.7 | -174.7 | 170.3 | 0 | 111.5 | Y41 E42 L43 L356 | Y41-K45 PolarHBondContact O-N 2.88Å; E42-K45 WeakPolarHBondContact O-CB 3.2Å; E42-K45 PolarHBondContact O-N 3.25Å; E42-K45 IonicContact OE1-NZ 3.42Å; E42-K45 PolarHBondContact OE1-NZ 3.43Å; E42-K45 WeakPolarHBondContact OE2-CD 3.35Å; E42-K45 VanDerWaalsContact OE2-CE 3.3Å; E42-K45 WeakPolarHBondContact OE2-CE 3.29Å; E42-K45 IonicContact OE2-NZ 2.7Å; E42-K45 PolarHBondContact OE2-NZ 3.47Å; L43-K45 PolarHBondContact O-N 2.89Å; K45-L356 HydrophobicContact CB-CD1 4.31Å; K45-L356 HydrophobicContact CG-CB 4.36Å; K45-L356 HydrophobicContact CG-CD1 3.41Å; K45-L356 VanDerWaalsContact CG-CD1 3.41Å; K45-L356 HydrophobicContact CG-CG 3.93Å |
| 46 | N | 71.4 | Confident | 86.2 | Confident | 120 Ų | 120 | 20.2 Ų | 20.2 | 64% | 0.642 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -102.8 | -25 | -171 | -64.5 | -23.5 | 0 | 0 | 0 | 113.6 | L43 L44 | L43-N46 PolarHBondContact O-N 3.17Å; L43-N46 VanDerWaalsContact O-N 3.14Å; L44-N46 VanDerWaalsContact C-N 3.25Å; L44-N46 PolarHBondContact O-N 3.33Å |
| 47 | S | 76.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 21.7 Ų | 21.7 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -113.6 | 164.3 | -173.1 | 63.3 | 0 | 0 | 0 | 0 | 113 | L43 I52 K171 | L43-S47 WeakPolarHBondContact O-CB 3.34Å; L43-S47 PolarHBondContact O-N 2.72Å; L43-S47 PolarHBondContact O-OG 2.91Å; S47-I52 WeakPolarHBondContact OG-CD1 3.35Å; S47-I52 WeakPolarHBondContact OG-CG1 3.26Å; S47-K171 VanDerWaalsContact C-NZ 3.31Å; S47-K171 PolarHBondContact O-NZ 3.13Å |
| 48 | N | 82.4 | Confident | 86.2 | Confident | 43 Ų | 43 | 25.9 Ų | 25.9 | 23% | 0.23 | 13% | 0.134 | C | C | . | . | trans | -78.1 | 135.6 | 174 | -175.7 | -34.6 | 0 | 0 | 0 | 108.6 | L50 T51 I52 K171 | N48-L50 PolarHBondContact O-N 2.81Å; N48-L50 VanDerWaalsContact O-N 3.14Å; N48-L50 WeakPolarHBondContact OD1-CB 3.46Å; N48-L50 PolarHBondContact OD1-N 2.98Å; N48-T51 WeakPolarHBondContact O-CA 3.45Å; N48-T51 WeakPolarHBondContact O-CB 3.39Å; N48-T51 PolarHBondContact O-N 3.07Å; N48-I52 PolarHBondContact O-N 3.01Å; N48-I52 VanDerWaalsContact O-N 3.14Å; N48-K171 HydrophobicContact CB-CD 4.27Å | ||
| 49 | P | 86.7 | Confident | 86.2 | Confident | 17 Ų | 17 | 26.7 Ų | 26.7 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -46.3 | -40.5 | 172.6 | -32.2 | 37.9 | 0 | 0 | 0 | 113.8 | L44 T51 I52 L53 I99 I103 | L44-P49 HydrophobicContact CD2-CB 4.26Å; L44-P49 HydrophobicContact CD2-CG 4.05Å; P49-T51 PolarHBondContact O-N 3.41Å; P49-I52 PolarHBondContact O-N 3.01Å; P49-L53 WeakPolarHBondContact O-CB 3.26Å; P49-L53 PolarHBondContact O-N 3.43Å; P49-I99 HydrophobicContact CB-CG2 3.81Å; P49-I103 HydrophobicContact CB-CD1 4.32Å; P49-I103 HydrophobicContact CG-CD1 3.46Å; P49-I103 VanDerWaalsContact CG-CD1 3.46Å |
| 50 | L | 87.7 | Confident | 86.3 | Confident | 20 Ų | 20 | 27.5 Ų | 27.5 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.3 | -178.4 | 63.4 | 0 | 0 | 0 | 112.5 | N48 L53 I54 L236 L239 T243 | N48-L50 PolarHBondContact O-N 2.81Å; N48-L50 VanDerWaalsContact O-N 3.14Å; N48-L50 WeakPolarHBondContact OD1-CB 3.46Å; N48-L50 PolarHBondContact OD1-N 2.98Å; L50-L53 PolarHBondContact O-N 3.16Å; L50-I54 WeakPolarHBondContact O-CG2 3.47Å; L50-I54 PolarHBondContact O-N 3.32Å; L50-L236 HydrophobicContact CD1-CD2 3.71Å; L50-L239 HydrophobicContact CD1-CD2 3.78Å; L50-L239 HydrophobicContact CD1-CG 4.2Å; L50-L239 HydrophobicContact CD2-CD2 4.26Å; L50-L239 HydrophobicContact CD2-CG 3.88Å; L50-T243 HydrophobicContact CD2-CG2 3.6Å; L50-T243 WeakPolarHBondContact CD2-OG1 2.97Å |
| 51 | T | 86.4 | Confident | 86.4 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 24% | 0.239 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | N48 P49 I54 A55 F240 W284 | N48-T51 WeakPolarHBondContact O-CA 3.45Å; N48-T51 WeakPolarHBondContact O-CB 3.39Å; N48-T51 PolarHBondContact O-N 3.07Å; P49-T51 PolarHBondContact O-N 3.41Å; T51-I54 VanDerWaalsContact O-CG2 3.3Å; T51-I54 WeakPolarHBondContact O-CG2 3.31Å; T51-A55 VanDerWaalsContact O-CB 3.31Å; T51-A55 WeakPolarHBondContact O-CB 3.3Å; T51-A55 PolarHBondContact O-N 3.1Å; T51-F240 HydrophobicContact CG2-CE2 4.24Å; T51-W284 HydrophobicContact CG2-CZ2 4.23Å |
| 52 | I | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 174.9 | -67.3 | 168.3 | 0 | 0 | 0 | 109.8 | T40 L43 L44 S47 N48 P49 I54 A55 L56 M288 | T40-I52 HydrophobicContact CG2-CG2 4.44Å; L43-I52 HydrophobicContact CB-CD1 4.02Å; L44-I52 HydrophobicContact CB-CD1 4.31Å; L44-I52 HydrophobicContact CD2-CD1 3.37Å; L44-I52 HydrophobicContact CG-CD1 3.54Å; S47-I52 WeakPolarHBondContact OG-CD1 3.35Å; S47-I52 WeakPolarHBondContact OG-CG1 3.26Å; N48-I52 PolarHBondContact O-N 3.01Å; N48-I52 VanDerWaalsContact O-N 3.14Å; P49-I52 PolarHBondContact O-N 3.01Å; I52-I54 PolarHBondContact O-N 3.45Å; I52-A55 PolarHBondContact O-N 3.21Å; I52-L56 HydrophobicContact CG2-CD1 3.85Å; I52-L56 HydrophobicContact CG2-CG 4.12Å; I52-L56 VanDerWaalsContact O-CG 3.32Å; I52-L56 WeakPolarHBondContact O-CG 3.41Å; I52-L56 PolarHBondContact O-N 3.25Å; I52-M288 HydrophobicContact CB-CE 4.4Å; I52-M288 HydrophobicContact CG1-CE 4.46Å; I52-M288 HydrophobicContact CG1-SD 4.25Å; I52-M288 HydrophobicContact CG2-CE 4.21Å; I52-M288 HydrophobicContact CG2-SD 4.45Å |
| 53 | L | 91.4 | Very high | 87.1 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | -177.9 | -177.1 | 59.3 | 0 | 0 | 0 | 112.2 | P49 L50 A55 L56 K57 L92 D95 A96 I99 L236 | P49-L53 WeakPolarHBondContact O-CB 3.26Å; P49-L53 PolarHBondContact O-N 3.43Å; L50-L53 PolarHBondContact O-N 3.16Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-A55 PolarHBondContact O-N 3.13Å; L53-L56 PolarHBondContact O-N 3.29Å; L53-K57 WeakPolarHBondContact O-CG 3.47Å; L53-K57 PolarHBondContact O-N 3.1Å; L53-L92 HydrophobicContact CD2-CD1 4.49Å; L53-D95 HydrophobicContact CD1-CB 3.69Å; L53-A96 HydrophobicContact CD2-CB 4.48Å; L53-I99 HydrophobicContact CB-CD1 3.93Å; L53-I99 HydrophobicContact CD1-CD1 3.91Å; L53-I99 HydrophobicContact CG-CD1 4.4Å; L53-L236 HydrophobicContact CD2-CD1 4.42Å; L53-L236 HydrophobicContact CD2-CD2 4.21Å; L53-L236 HydrophobicContact CG-CD1 3.98Å |
| 54 | I | 92.1 | Very high | 87.4 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.1 | -168.7 | 169.6 | 0 | 0 | 0 | 111.7 | L50 T51 I52 K57 F58 F233 L236 I237 F240 | L50-I54 WeakPolarHBondContact O-CG2 3.47Å; L50-I54 PolarHBondContact O-N 3.32Å; T51-I54 VanDerWaalsContact O-CG2 3.3Å; T51-I54 WeakPolarHBondContact O-CG2 3.31Å; I52-I54 PolarHBondContact O-N 3.45Å; I54-K57 PolarHBondContact O-N 2.88Å; I54-F58 WeakPolarHBondContact O-CB 3.27Å; I54-F58 PolarHBondContact O-N 2.81Å; I54-F233 HydrophobicContact CD1-CE2 4.25Å; I54-F233 HydrophobicContact CG1-CD2 3.99Å; I54-F233 HydrophobicContact CG1-CE2 3.92Å; I54-L236 HydrophobicContact CB-CB 4.32Å; I54-L236 HydrophobicContact CB-CD1 4.13Å; I54-L236 HydrophobicContact CD1-CB 4.12Å; I54-L236 HydrophobicContact CG1-CB 4.04Å; I54-L236 HydrophobicContact CG1-CD1 4.41Å; I54-I237 HydrophobicContact CD1-CG1 4.37Å; I54-F240 HydrophobicContact CD1-CB 3.55Å; I54-F240 HydrophobicContact CD1-CD1 4.18Å; I54-F240 HydrophobicContact CD1-CD2 4.35Å; I54-F240 HydrophobicContact CD1-CG 3.77Å; I54-F240 HydrophobicContact CG2-CD2 3.79Å; I54-F240 HydrophobicContact CG2-CE2 4.14Å; I54-F240 HydrophobicContact CG2-CG 4.29Å |
| 55 | A | 89.9 | Confident | 87.8 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 17% | 0.174 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T51 I52 L53 K57 F58 T59 M288 | T51-A55 VanDerWaalsContact O-CB 3.31Å; T51-A55 WeakPolarHBondContact O-CB 3.3Å; T51-A55 PolarHBondContact O-N 3.1Å; I52-A55 PolarHBondContact O-N 3.21Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-A55 PolarHBondContact O-N 3.13Å; A55-K57 VanDerWaalsContact C-N 3.29Å; A55-K57 PolarHBondContact O-N 3.05Å; A55-F58 PolarHBondContact O-N 3.21Å; A55-T59 WeakPolarHBondContact O-CG2 3.32Å; A55-T59 PolarHBondContact O-N 3.32Å; A55-T59 PolarHBondContact O-OG1 3.29Å; A55-M288 HydrophobicContact CB-CE 3.13Å |
| 56 | L | 91.5 | Very high | 88.6 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -37.7 | 172.1 | -71.1 | 174.7 | 0 | 0 | 0 | 112.1 | I52 L53 T59 A60 W98 I291 | I52-L56 HydrophobicContact CG2-CD1 3.85Å; I52-L56 HydrophobicContact CG2-CG 4.12Å; I52-L56 VanDerWaalsContact O-CG 3.32Å; I52-L56 WeakPolarHBondContact O-CG 3.41Å; I52-L56 PolarHBondContact O-N 3.25Å; L53-L56 PolarHBondContact O-N 3.29Å; L56-T59 PolarHBondContact O-OG1 3.43Å; L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.07Å; L56-A60 PolarHBondContact O-N 2.87Å; L56-W98 HydrophobicContact CD1-CZ2 4.38Å; L56-I291 HydrophobicContact CD2-CG2 3.79Å |
| 57 | K | 93.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.6 | -38.4 | 176.2 | -64.3 | -49.1 | -180 | -169 | 0 | 112.6 | L53 I54 A55 A60 L61 D95 F233 L236 | L53-K57 WeakPolarHBondContact O-CG 3.47Å; L53-K57 PolarHBondContact O-N 3.1Å; I54-K57 PolarHBondContact O-N 2.88Å; A55-K57 VanDerWaalsContact C-N 3.29Å; A55-K57 PolarHBondContact O-N 3.05Å; K57-A60 PolarHBondContact O-N 3.07Å; K57-L61 WeakPolarHBondContact O-CB 3.26Å; K57-L61 PolarHBondContact O-N 3.24Å; K57-D95 WeakPolarHBondContact CE-OD2 3.5Å; K57-D95 IonicContact NZ-OD1 3.55Å; K57-D95 IonicContact NZ-OD2 3.8Å; K57-D95 PolarHBondContact NZ-OD2 3.29Å; K57-F233 HydrophobicContact CB-CB 4.46Å; K57-L236 HydrophobicContact CB-CD1 4.29Å; K57-L236 HydrophobicContact CG-CD1 3.85Å |
| 58 | F | 92.9 | Very high | 90.1 | Very high | 88 Ų | 88 | 39.3 Ų | 39.3 | 39% | 0.386 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 178 | -179.4 | -118.5 | 0 | 0 | 0 | 112.2 | I54 A55 L61 L62 F233 | I54-F58 WeakPolarHBondContact O-CB 3.27Å; I54-F58 PolarHBondContact O-N 2.81Å; A55-F58 PolarHBondContact O-N 3.21Å; F58-L61 HydrophobicContact CD2-CD2 4.17Å; F58-L61 HydrophobicContact CE2-CD2 4.37Å; F58-L61 WeakPolarHBondContact O-CB 3.39Å; F58-L61 PolarHBondContact O-N 3.47Å; F58-L62 HydrophobicContact CD1-CD1 4.07Å; F58-L62 HydrophobicContact CE1-CD1 3.56Å; F58-L62 HydrophobicContact CE1-CG 4.32Å; F58-L62 HydrophobicContact CE2-CD1 4.36Å; F58-L62 HydrophobicContact CE2-CD2 4.43Å; F58-L62 HydrophobicContact CE2-CG 4.28Å; F58-L62 HydrophobicContact CZ-CD1 3.73Å; F58-L62 HydrophobicContact CZ-CD2 4.31Å; F58-L62 HydrophobicContact CZ-CG 4.13Å; F58-L62 WeakPolarHBondContact O-CG 3.46Å; F58-L62 PolarHBondContact O-N 3.12Å; F58-F233 HydrophobicContact CB-CD2 3.85Å; F58-F233 HydrophobicContact CB-CE2 3.63Å; F58-F233 HydrophobicContact CB-CZ 4.38Å; F58-F233 HydrophobicContact CD2-CD1 4.49Å; F58-F233 HydrophobicContact CD2-CD2 4.14Å; F58-F233 AromaticContact CD2-CE1 3.87Å; F58-F233 HydrophobicContact CD2-CE1 3.87Å; F58-F233 AromaticContact CD2-CE2 3.49Å; F58-F233 HydrophobicContact CD2-CE2 3.49Å; F58-F233 VanDerWaalsContact CD2-CE2 3.49Å; F58-F233 AromaticContact CD2-CZ 3.34Å; F58-F233 HydrophobicContact CD2-CZ 3.34Å; F58-F233 HydrophobicContact CE2-CE1 4.32Å; F58-F233 HydrophobicContact CE2-CE2 4.47Å; F58-F233 AromaticContact CE2-CZ 3.93Å; F58-F233 HydrophobicContact CE2-CZ 3.93Å; F58-F233 HydrophobicContact CG-CD2 4.46Å; F58-F233 AromaticContact CG-CE2 3.88Å; F58-F233 HydrophobicContact CG-CE2 3.88Å; F58-F233 HydrophobicContact CG-CZ 4.16Å |
| 59 | T | 89.9 | Confident | 90.5 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 176.5 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | A55 L56 L61 L62 I63 S292 | A55-T59 WeakPolarHBondContact O-CG2 3.32Å; A55-T59 PolarHBondContact O-N 3.32Å; A55-T59 PolarHBondContact O-OG1 3.29Å; L56-T59 PolarHBondContact O-OG1 3.43Å; T59-L61 VanDerWaalsContact C-N 3.3Å; T59-L61 PolarHBondContact O-N 3.3Å; T59-L62 PolarHBondContact O-N 3.41Å; T59-I63 WeakPolarHBondContact O-CG1 3.32Å; T59-I63 PolarHBondContact O-N 3.38Å; T59-S292 WeakPolarHBondContact CB-OG 3.25Å; T59-S292 WeakPolarHBondContact CG2-OG 3.25Å; T59-S292 WeakPolarHBondContact OG1-CB 3.06Å; T59-S292 PolarHBondContact OG1-OG 2.85Å |
| 60 | A | 90.7 | Very high | 90.5 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L56 K57 I63 M64 A229 V296 | L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.07Å; L56-A60 PolarHBondContact O-N 2.87Å; K57-A60 PolarHBondContact O-N 3.07Å; A60-I63 PolarHBondContact O-N 3.07Å; A60-M64 WeakPolarHBondContact O-CB 3.1Å; A60-M64 WeakPolarHBondContact O-CG 3.41Å; A60-M64 PolarHBondContact O-N 2.78Å; A60-A229 HydrophobicContact CB-CB 4.25Å; A60-V296 HydrophobicContact CB-CG2 4.46Å |
| 61 | L | 92.8 | Very high | 90.5 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | 172.8 | 168.6 | 115.2 | 0 | 0 | 0 | 111.3 | K57 F58 T59 I63 V65 L230 F233 | K57-L61 WeakPolarHBondContact O-CB 3.26Å; K57-L61 PolarHBondContact O-N 3.24Å; F58-L61 HydrophobicContact CD2-CD2 4.17Å; F58-L61 HydrophobicContact CE2-CD2 4.37Å; F58-L61 WeakPolarHBondContact O-CB 3.39Å; F58-L61 PolarHBondContact O-N 3.47Å; T59-L61 VanDerWaalsContact C-N 3.3Å; T59-L61 PolarHBondContact O-N 3.3Å; L61-I63 PolarHBondContact O-N 3.46Å; L61-V65 HydrophobicContact CD1-CG2 4.11Å; L61-V65 HydrophobicContact CG-CG2 4.2Å; L61-V65 WeakPolarHBondContact O-CB 3.2Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.45Å; L61-V65 VanDerWaalsContact O-N 3.07Å; L61-L230 VanDerWaalsContact CD1-CA 3.46Å; L61-L230 HydrophobicContact CD1-CB 3.65Å; L61-L230 HydrophobicContact CD1-CD1 4.24Å; L61-L230 HydrophobicContact CD1-CG 3.83Å; L61-F233 HydrophobicContact CD2-CD1 4.36Å |
| 62 | L | 92.2 | Very high | 90.5 | Very high | 99 Ų | 99 | 51.7 Ų | 51.7 | 52% | 0.518 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.8 | -32.2 | -178.9 | -73.2 | 178.2 | 0 | 0 | 0 | 113.3 | F58 T59 P66 | F58-L62 HydrophobicContact CD1-CD1 4.07Å; F58-L62 HydrophobicContact CE1-CD1 3.56Å; F58-L62 HydrophobicContact CE1-CG 4.32Å; F58-L62 HydrophobicContact CE2-CD1 4.36Å; F58-L62 HydrophobicContact CE2-CD2 4.43Å; F58-L62 HydrophobicContact CE2-CG 4.28Å; F58-L62 HydrophobicContact CZ-CD1 3.73Å; F58-L62 HydrophobicContact CZ-CD2 4.31Å; F58-L62 HydrophobicContact CZ-CG 4.13Å; F58-L62 WeakPolarHBondContact O-CG 3.46Å; F58-L62 PolarHBondContact O-N 3.12Å; T59-L62 PolarHBondContact O-N 3.41Å; L62-P66 WeakPolarHBondContact O-CD 3.48Å; L62-P66 WeakPolarHBondContact O-CG 3.4Å |
| 63 | I | 91.2 | Very high | 90 | Very high | 60 Ų | 60 | 53.2 Ų | 53.2 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -89.2 | -48 | 179.8 | -60.5 | 166.9 | 0 | 0 | 0 | 111.2 | T59 A60 L61 L67 I293 V296 | T59-I63 WeakPolarHBondContact O-CG1 3.32Å; T59-I63 PolarHBondContact O-N 3.38Å; A60-I63 PolarHBondContact O-N 3.07Å; L61-I63 PolarHBondContact O-N 3.46Å; I63-L67 WeakPolarHBondContact O-CB 3.29Å; I63-L67 PolarHBondContact O-N 3.18Å; I63-I293 HydrophobicContact CD1-CG1 3.97Å; I63-V296 HydrophobicContact CD1-CG2 4.29Å; I63-V296 HydrophobicContact CG2-CG1 3.85Å |
| 64 | M | 90.4 | Very high | 89.7 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.044 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.5 | -39 | -170.1 | -65.1 | -74.5 | -73.7 | 0 | 0 | 112.9 | A60 L67 Q68 V296 F299 Y300 | A60-M64 WeakPolarHBondContact O-CB 3.1Å; A60-M64 WeakPolarHBondContact O-CG 3.41Å; A60-M64 PolarHBondContact O-N 2.78Å; M64-L67 PolarHBondContact O-N 3.27Å; M64-Q68 WeakPolarHBondContact O-CB 3.48Å; M64-Q68 PolarHBondContact O-N 2.84Å; M64-V296 HydrophobicContact SD-CG1 4.01Å; M64-F299 HydrophobicContact CE-CD1 4.3Å; M64-F299 HydrophobicContact CE-CE1 3.94Å; M64-Y300 HydrophobicContact CE-CE2 4.16Å; M64-Y300 WeakPolarHBondContact CE-OH 3.27Å; M64-Y300 HydrophobicContact SD-CD2 4.4Å; M64-Y300 HydrophobicContact SD-CE2 3.25Å; M64-Y300 WeakPolarHBondContact SD-CE2 3.48Å; M64-Y300 VanDerWaalsContact SD-CZ 3.51Å; M64-Y300 PolarHBondContact SD-OH 3.04Å |
| 65 | V | 92.2 | Very high | 89.5 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68 | -47.6 | -175.3 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L61 L67 K69 P70 | L61-V65 HydrophobicContact CD1-CG2 4.11Å; L61-V65 HydrophobicContact CG-CG2 4.2Å; L61-V65 WeakPolarHBondContact O-CB 3.2Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.45Å; L61-V65 VanDerWaalsContact O-N 3.07Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 3.43Å; V65-K69 WeakPolarHBondContact O-CA 3.46Å; V65-K69 PolarHBondContact O-N 2.91Å; V65-P70 HydrophobicContact CG1-CG 4.24Å; V65-P70 VanDerWaalsContact O-CD 3.23Å; V65-P70 WeakPolarHBondContact O-CD 3.44Å |
| 66 | P | 91.3 | Very high | 89.5 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.5 | -36.3 | 174.7 | -23.2 | 36.6 | 0 | 0 | 0 | 113 | L62 K69 | L62-P66 WeakPolarHBondContact O-CD 3.48Å; L62-P66 WeakPolarHBondContact O-CG 3.4Å; P66-K69 WeakPolarHBondContact O-CG 3.26Å |
| 67 | L | 90.1 | Very high | 89.4 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 55% | 0.55 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.5 | -43.9 | -177.5 | -176.9 | 62.5 | 0 | 0 | 0 | 112.7 | I63 M64 V65 Y300 | I63-L67 WeakPolarHBondContact O-CB 3.29Å; I63-L67 PolarHBondContact O-N 3.18Å; M64-L67 PolarHBondContact O-N 3.27Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 3.43Å; L67-Y300 HydrophobicContact CD2-CE1 4.31Å; L67-Y300 HydrophobicContact CD2-CE2 3.78Å |
| 68 | Q | 89.7 | Confident | 89.4 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -90.1 | -16.7 | -177.6 | -65.2 | -56.9 | -50.7 | 0 | 0 | 113.6 | M64 K222 Y300 | M64-Q68 WeakPolarHBondContact O-CB 3.48Å; M64-Q68 PolarHBondContact O-N 2.84Å; Q68-K222 HydrophobicContact CG-CB 4.24Å; Q68-Y300 VanDerWaalsContact CG-OH 3.28Å; Q68-Y300 WeakPolarHBondContact CG-OH 3.44Å; Q68-Y300 PolarHBondContact NE2-OH 3.1Å |
| 69 | K | 89.8 | Confident | 89.4 | Confident | 130 Ų | 130 | 78.2 Ų | 78.2 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | trans | 41.7 | 59.6 | -174.5 | -59.3 | -175.4 | -178.4 | 178.4 | 0 | 111.4 | V65 P66 F71 N72 | V65-K69 WeakPolarHBondContact O-CA 3.46Å; V65-K69 PolarHBondContact O-N 2.91Å; P66-K69 WeakPolarHBondContact O-CG 3.26Å; K69-F71 PolarHBondContact O-N 3.24Å; K69-N72 HydrophobicContact CB-CB 4.3Å; K69-N72 PolarHBondContact O-N 3.01Å | ||
| 70 | P | 86 | Confident | 89.5 | Confident | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.013 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -13.8 | -165 | 23.3 | -33.3 | 0 | 0 | 0 | 114.9 | V65 R223 S226 L227 | V65-P70 HydrophobicContact CG1-CG 4.24Å; V65-P70 VanDerWaalsContact O-CD 3.23Å; V65-P70 WeakPolarHBondContact O-CD 3.44Å; P70-R223 HydrophobicContact CB-CG 4.06Å; P70-R223 VanDerWaalsContact O-CZ 3.27Å; P70-R223 PolarHBondContact O-NE 2.99Å; P70-R223 PolarHBondContact O-NH2 3.19Å; P70-S226 WeakPolarHBondContact CB-OG 3.41Å; P70-L227 HydrophobicContact CB-CD2 3.82Å; P70-L227 HydrophobicContact CB-CG 3.9Å; P70-L227 HydrophobicContact CG-CD2 4.21Å |
| 71 | F | 89 | Confident | 89.7 | Confident | 116 Ų | 116 | 82.1 Ų | 82.1 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -8.4 | 179.3 | -56.3 | -71.5 | 0 | 0 | 0 | 114.3 | K69 G73 W81 L227 L230 | K69-F71 PolarHBondContact O-N 3.24Å; F71-G73 VanDerWaalsContact C-N 3.28Å; F71-G73 PolarHBondContact O-N 3.01Å; F71-W81 HydrophobicContact CE1-CH2 4.02Å; F71-W81 HydrophobicContact CE1-CZ2 4.16Å; F71-L227 HydrophobicContact CE1-CD2 4.01Å; F71-L227 HydrophobicContact CZ-CD2 4.06Å; F71-L230 HydrophobicContact CE2-CD1 4.3Å; F71-L230 HydrophobicContact CZ-CD1 4.02Å |
| 72 | N | 85.5 | Confident | 89.9 | Confident | 130 Ų | 130 | 85.9 Ų | 85.9 | 70% | 0.695 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -80.2 | -9.3 | 178.4 | -72.3 | 13.4 | 0 | 0 | 0 | 113.4 | K69 | K69-N72 HydrophobicContact CB-CB 4.3Å; K69-N72 PolarHBondContact O-N 3.01Å |
| 73 | G | 79.3 | Confident | 89.9 | Confident | 33 Ų | 33 | 86 Ų | 86 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -81.6 | -171.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F71 K75 | F71-G73 VanDerWaalsContact C-N 3.28Å; F71-G73 PolarHBondContact O-N 3.01Å; G73-K75 PolarHBondContact O-N 3.23Å |
| 74 | P | 84.4 | Confident | 90.1 | Very high | 93 Ų | 93 | 83.1 Ų | 83.1 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -55.5 | 141.9 | 174.1 | 23.4 | -33 | 0 | 0 | 0 | 110.9 | L76 R223 | P74-L76 PolarHBondContact O-N 2.8Å; P74-R223 PolarHBondContact O-NH2 2.92Å |
| 75 | K | 88 | Confident | 90.4 | Very high | 209 Ų | 209 | 86.4 Ų | 86.4 | 91% | 0.909 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 126.9 | 176.8 | -69.4 | -174 | 179.5 | -179.1 | 0 | 109.1 | G73 | G73-K75 PolarHBondContact O-N 3.23Š|
| 76 | L | 88.6 | Confident | 90.5 | Very high | 30 Ų | 30 | 90.3 Ų | 90.3 | 16% | 0.157 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 139.8 | -179.3 | -64.7 | 169.6 | 0 | 0 | 0 | 110.7 | P74 E80 W81 I84 I218 L227 | P74-L76 PolarHBondContact O-N 2.8Å; L76-E80 VanDerWaalsContact CA-OE2 3.29Å; L76-E80 WeakPolarHBondContact CA-OE2 3.39Å; L76-E80 WeakPolarHBondContact CD2-OE2 3.39Å; L76-W81 HydrophobicContact CD1-CZ2 4.07Å; L76-I84 HydrophobicContact CD1-CD1 3.97Å; L76-I218 HydrophobicContact CD2-CG1 4.14Å; L76-L227 HydrophobicContact CD1-CD1 3.71Å |
| 77 | K | 91.3 | Very high | 90.7 | Very high | 139 Ų | 139 | 86.7 Ų | 86.7 | 60% | 0.604 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 155.9 | 172.7 | -64.3 | 176.2 | -178.2 | 173.3 | 0 | 110.2 | T79 E80 W81 | K77-T79 PolarHBondContact O-N 2.91Å; K77-E80 HydrophobicContact CB-CG 4.21Å; K77-E80 PolarHBondContact N-OE2 3.33Å; K77-E80 WeakPolarHBondContact O-CB 3.34Å; K77-E80 PolarHBondContact O-N 3.35Å; K77-E80 VanDerWaalsContact O-N 3.09Å; K77-W81 PolarHBondContact O-N 2.91Å; K77-W81 VanDerWaalsContact O-N 3.09Å |
| 78 | I | 93.2 | Very high | 91 | Very high | 154 Ų | 154 | 81.7 Ų | 81.7 | 79% | 0.79 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.3 | -37.5 | 175.7 | -66.7 | 166.2 | 0 | 0 | 0 | 111.1 | W81 F82 | I78-W81 WeakPolarHBondContact O-CB 3.3Å; I78-W81 PolarHBondContact O-N 3.46Å; I78-F82 PolarHBondContact O-N 3.48Å; I78-F82 VanDerWaalsContact O-N 3.11Å |
| 79 | T | 92.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 84 Ų | 84 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63 | -42 | 176 | 52 | 0 | 0 | 0 | 0 | 111.8 | K77 F82 H83 | K77-T79 PolarHBondContact O-N 2.91Å; T79-F82 WeakPolarHBondContact O-CB 3.37Å; T79-F82 PolarHBondContact O-N 2.97Å; T79-H83 PolarHBondContact O-N 3.33Å; T79-H83 PolarHBondContact O-ND1 3.45Å |
| 80 | E | 92.4 | Very high | 91.5 | Very high | 33 Ų | 33 | 80.6 Ų | 80.6 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.3 | -68.5 | 162.5 | 178.4 | 0 | 0 | 110.6 | L76 K77 F82 H83 I84 | L76-E80 VanDerWaalsContact CA-OE2 3.29Å; L76-E80 WeakPolarHBondContact CA-OE2 3.39Å; L76-E80 WeakPolarHBondContact CD2-OE2 3.39Å; K77-E80 HydrophobicContact CB-CG 4.21Å; K77-E80 PolarHBondContact N-OE2 3.33Å; K77-E80 WeakPolarHBondContact O-CB 3.34Å; K77-E80 PolarHBondContact O-N 3.35Å; K77-E80 VanDerWaalsContact O-N 3.09Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 3.02Å; E80-H83 PolarHBondContact O-N 3.45Å; E80-H83 VanDerWaalsContact O-N 3.09Å; E80-I84 VanDerWaalsContact O-CG1 3.26Å; E80-I84 WeakPolarHBondContact O-CG1 3.47Å; E80-I84 PolarHBondContact O-N 2.97Å |
| 81 | W | 94.8 | Very high | 91.9 | Very high | 90 Ų | 90 | 82.3 Ų | 82.3 | 34% | 0.341 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.1 | -41.5 | 172.8 | -84.5 | 110.1 | 0 | 0 | 0 | 113.1 | F71 L76 K77 I78 I84 L85 L227 I231 | F71-W81 HydrophobicContact CE1-CH2 4.02Å; F71-W81 HydrophobicContact CE1-CZ2 4.16Å; L76-W81 HydrophobicContact CD1-CZ2 4.07Å; K77-W81 PolarHBondContact O-N 2.91Å; K77-W81 VanDerWaalsContact O-N 3.09Å; I78-W81 WeakPolarHBondContact O-CB 3.3Å; I78-W81 PolarHBondContact O-N 3.46Å; W81-I84 PolarHBondContact O-N 3.4Å; W81-L85 WeakPolarHBondContact O-CB 3.33Å; W81-L85 PolarHBondContact O-N 3.48Å; W81-L227 HydrophobicContact CH2-CD2 4Å; W81-I231 HydrophobicContact CE3-CD1 4.25Å; W81-I231 HydrophobicContact CZ3-CD1 4.09Å |
| 82 | F | 95.4 | Very high | 92.2 | Very high | 109 Ų | 109 | 77.6 Ų | 77.6 | 48% | 0.478 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 176.2 | -171.5 | -112.6 | 0 | 0 | 0 | 112.8 | I78 T79 E80 L85 K86 | I78-F82 PolarHBondContact O-N 3.48Å; I78-F82 VanDerWaalsContact O-N 3.11Å; T79-F82 WeakPolarHBondContact O-CB 3.37Å; T79-F82 PolarHBondContact O-N 2.97Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 3.02Å; F82-L85 PolarHBondContact O-N 2.91Å; F82-K86 HydrophobicContact CD1-CD 4.3Å; F82-K86 HydrophobicContact CE1-CD 4.04Å; F82-K86 VanDerWaalsContact CE1-NZ 3.28Å; F82-K86 VanDerWaalsContact CZ-CE 3.48Å; F82-K86 WeakPolarHBondContact O-CG 3.39Å; F82-K86 PolarHBondContact O-N 3.02Å |
| 83 | H | 93.7 | Very high | 92.6 | Very high | 100 Ų | 100 | 75.5 Ų | 75.5 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 173.9 | -68.6 | 95.3 | 0 | 0 | 0 | 112.2 | T79 E80 K86 F87 L214 | T79-H83 PolarHBondContact O-N 3.33Å; T79-H83 PolarHBondContact O-ND1 3.45Å; E80-H83 PolarHBondContact O-N 3.45Å; E80-H83 VanDerWaalsContact O-N 3.09Å; H83-K86 PolarHBondContact O-N 3.42Å; H83-F87 WeakPolarHBondContact O-CB 3.36Å; H83-F87 PolarHBondContact O-N 3.41Å; H83-L214 HydrophobicContact CB-CD1 3.59Å; H83-L214 HydrophobicContact CB-CD2 4.16Å; H83-L214 HydrophobicContact CB-CG 4.47Å |
| 84 | I | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 174.1 | -58.7 | 163.7 | 0 | 0 | 0 | 109.6 | L76 E80 W81 K86 F87 S88 L214 I218 L224 L227 I231 | L76-I84 HydrophobicContact CD1-CD1 3.97Å; E80-I84 VanDerWaalsContact O-CG1 3.26Å; E80-I84 WeakPolarHBondContact O-CG1 3.47Å; E80-I84 PolarHBondContact O-N 2.97Å; W81-I84 PolarHBondContact O-N 3.4Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 3.48Å; I84-F87 WeakPolarHBondContact O-CB 3.47Å; I84-F87 PolarHBondContact O-N 2.95Å; I84-S88 WeakPolarHBondContact O-CB 3.43Å; I84-S88 PolarHBondContact O-N 2.87Å; I84-S88 PolarHBondContact O-OG 3.4Å; I84-L214 HydrophobicContact CG1-CD1 4.24Å; I84-L214 HydrophobicContact CG1-CD2 4.43Å; I84-I218 HydrophobicContact CD1-CD1 3.62Å; I84-I218 HydrophobicContact CD1-CG1 4.27Å; I84-I218 HydrophobicContact CG1-CD1 3.5Å; I84-L224 HydrophobicContact CG1-CD1 4.15Å; I84-L224 HydrophobicContact CG2-CD1 4.22Å; I84-L227 HydrophobicContact CD1-CD1 3.95Å; I84-L227 HydrophobicContact CG2-CB 4.15Å; I84-I231 HydrophobicContact CB-CD1 4.17Å; I84-I231 HydrophobicContact CG2-CD1 3.53Å |
| 85 | L | 96.3 | Very high | 93.7 | Very high | 79 Ų | 79 | 70.1 Ų | 70.1 | 41% | 0.414 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56 | -47.3 | 176.4 | -179.2 | 66.9 | 0 | 0 | 0 | 111.7 | W81 F82 S88 F89 I231 I235 | W81-L85 WeakPolarHBondContact O-CB 3.33Å; W81-L85 PolarHBondContact O-N 3.48Å; F82-L85 PolarHBondContact O-N 2.91Å; L85-S88 PolarHBondContact O-N 3.05Å; L85-F89 WeakPolarHBondContact O-CB 3.34Å; L85-F89 PolarHBondContact O-N 3.35Å; L85-I231 HydrophobicContact CD1-CG2 3.63Å; L85-I235 HydrophobicContact CD1-CD1 4.23Å |
| 86 | K | 94.8 | Very high | 93.9 | Very high | 115 Ų | 115 | 62 Ų | 62 | 50% | 0.5 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 174.8 | -76.4 | 179.9 | 170.5 | 179 | 0 | 112.3 | F82 H83 I84 S88 F89 V90 | F82-K86 HydrophobicContact CD1-CD 4.3Å; F82-K86 HydrophobicContact CE1-CD 4.04Å; F82-K86 VanDerWaalsContact CE1-NZ 3.28Å; F82-K86 VanDerWaalsContact CZ-CE 3.48Å; F82-K86 WeakPolarHBondContact O-CG 3.39Å; F82-K86 PolarHBondContact O-N 3.02Å; H83-K86 PolarHBondContact O-N 3.42Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 3.48Å; K86-S88 VanDerWaalsContact C-N 3.33Å; K86-S88 PolarHBondContact O-N 2.88Å; K86-F89 PolarHBondContact O-N 3.26Å; K86-V90 WeakPolarHBondContact O-CG2 3.13Å; K86-V90 PolarHBondContact O-N 3.23Å |
| 87 | F | 95 | Very high | 94.1 | Very high | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.7 | -46.9 | 177.1 | 174.5 | -90.4 | 0 | 0 | 0 | 111.4 | H83 I84 F89 V90 R91 L207 S211 L214 L224 Y225 | H83-F87 WeakPolarHBondContact O-CB 3.36Å; H83-F87 PolarHBondContact O-N 3.41Å; I84-F87 WeakPolarHBondContact O-CB 3.47Å; I84-F87 PolarHBondContact O-N 2.95Å; F87-F89 PolarHBondContact O-N 3.03Å; F87-V90 PolarHBondContact O-N 3.4Å; F87-R91 WeakPolarHBondContact O-CB 3.31Å; F87-R91 PolarHBondContact O-N 2.72Å; F87-L207 HydrophobicContact CD2-CD1 3.64Å; F87-L207 HydrophobicContact CD2-CD2 4.21Å; F87-L207 HydrophobicContact CD2-CG 3.95Å; F87-L207 HydrophobicContact CE2-CD1 3.95Å; F87-L207 HydrophobicContact CE2-CD2 3.9Å; F87-L207 HydrophobicContact CE2-CG 3.7Å; F87-L207 HydrophobicContact CZ-CD2 4.38Å; F87-S211 VanDerWaalsContact CE2-CB 3.49Å; F87-L214 HydrophobicContact CB-CD2 3.93Å; F87-L214 HydrophobicContact CG-CD2 4.32Å; F87-L224 HydrophobicContact CD1-CD1 3.96Å; F87-L224 HydrophobicContact CD1-CD2 4.35Å; F87-L224 HydrophobicContact CD1-CG 4.23Å; F87-L224 HydrophobicContact CD2-CD2 4.4Å; F87-L224 HydrophobicContact CE1-CD1 4.25Å; F87-L224 HydrophobicContact CE1-CD2 4.07Å; F87-L224 HydrophobicContact CE1-CG 4.01Å; F87-L224 HydrophobicContact CE2-CD2 4.11Å; F87-L224 HydrophobicContact CG-CD1 4.37Å; F87-L224 HydrophobicContact CZ-CD2 3.95Å; F87-L224 HydrophobicContact CZ-CG 4.36Å; F87-Y225 HydrophobicContact CE1-CE1 4.45Å; F87-Y225 HydrophobicContact CZ-CE1 4.15Å |
| 88 | S | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 179.7 | -59.4 | 0 | 0 | 0 | 0 | 113 | I84 L85 K86 L92 S228 | I84-S88 WeakPolarHBondContact O-CB 3.43Å; I84-S88 PolarHBondContact O-N 2.87Å; I84-S88 PolarHBondContact O-OG 3.4Å; L85-S88 PolarHBondContact O-N 3.05Å; K86-S88 VanDerWaalsContact C-N 3.33Å; K86-S88 PolarHBondContact O-N 2.88Å; S88-L92 WeakPolarHBondContact O-CB 3.39Å; S88-L92 PolarHBondContact O-N 3.43Å; S88-S228 WeakPolarHBondContact CA-OG 3.32Å; S88-S228 WeakPolarHBondContact CB-OG 3.45Å; S88-S228 WeakPolarHBondContact OG-CA 3.3Å; S88-S228 WeakPolarHBondContact OG-CB 3.35Å; S88-S228 PolarHBondContact OG-OG 3.29Å |
| 89 | F | 95.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 49.8 Ų | 49.8 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.6 | -48.2 | 175.4 | -177.7 | -99 | 0 | 0 | 0 | 111.7 | L85 K86 F87 R91 L92 L93 | L85-F89 WeakPolarHBondContact O-CB 3.34Å; L85-F89 PolarHBondContact O-N 3.35Å; K86-F89 PolarHBondContact O-N 3.26Å; F87-F89 PolarHBondContact O-N 3.03Å; F89-R91 VanDerWaalsContact C-N 3.34Å; F89-R91 PolarHBondContact O-N 3.13Å; F89-L92 WeakPolarHBondContact O-CB 3.28Å; F89-L92 PolarHBondContact O-N 3.48Å; F89-L93 HydrophobicContact CD1-CD1 4.09Å; F89-L93 HydrophobicContact CE1-CD1 3.63Å; F89-L93 HydrophobicContact CE1-CG 4.36Å; F89-L93 HydrophobicContact CZ-CD1 4.19Å; F89-L93 PolarHBondContact O-N 3.47Å; F89-L93 VanDerWaalsContact O-N 3.13Å |
| 90 | V | 94.9 | Very high | 93.7 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 36% | 0.358 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.9 | -41 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 111 | K86 F87 L92 L93 I94 L207 | K86-V90 WeakPolarHBondContact O-CG2 3.13Å; K86-V90 PolarHBondContact O-N 3.23Å; F87-V90 PolarHBondContact O-N 3.4Å; V90-L92 VanDerWaalsContact C-N 3.31Å; V90-L92 PolarHBondContact O-N 3.05Å; V90-L93 WeakPolarHBondContact O-CB 3.48Å; V90-L93 PolarHBondContact O-N 3.5Å; V90-I94 HydrophobicContact CG1-CD1 4.07Å; V90-I94 WeakPolarHBondContact O-CG1 3.5Å; V90-I94 PolarHBondContact O-N 3.2Å; V90-L207 HydrophobicContact CB-CD1 4.25Å; V90-L207 HydrophobicContact CG1-CD1 4.02Å; V90-L207 HydrophobicContact CG1-CD2 4.2Å |
| 91 | R | 94.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 45.9 Ų | 45.9 | 14% | 0.143 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 176.4 | -174.4 | 54.4 | 179.6 | -120.2 | -6.6 | 111.9 | F87 F89 L93 I94 D95 D204 L207 Y225 M401 | F87-R91 WeakPolarHBondContact O-CB 3.31Å; F87-R91 PolarHBondContact O-N 2.72Å; F89-R91 VanDerWaalsContact C-N 3.34Å; F89-R91 PolarHBondContact O-N 3.13Å; R91-L93 VanDerWaalsContact C-N 3.32Å; R91-L93 PolarHBondContact O-N 3.34Å; R91-I94 PolarHBondContact O-N 3.43Å; R91-D95 IonicContact NE-OD1 3.47Å; R91-D95 PolarHBondContact NE-OD1 3.44Å; R91-D95 IonicContact NE-OD2 2.94Å; R91-D95 WeakPolarHBondContact O-CB 3.49Å; R91-D95 PolarHBondContact O-N 3.25Å; R91-D95 VanDerWaalsContact O-OD2 3.05Å; R91-D204 IonicContact CZ-OD1 3.83Å; R91-D204 IonicContact NE-OD1 3.86Å; R91-D204 IonicContact NH1-OD1 3.94Å; R91-D204 PolarHBondContact NH1-OD1 3.03Å; R91-L207 HydrophobicContact CB-CD2 3.92Å; R91-Y225 PolarHBondContact NH1-OH 3.34Å; R91-M401 VanDerWaalsContact NH1-CE 3.26Å |
| 92 | L | 94.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 175 | -165.2 | 88.4 | 0 | 0 | 0 | 112.1 | L53 S88 F89 V90 D95 A96 I235 L236 | L53-L92 HydrophobicContact CD2-CD1 4.49Å; S88-L92 WeakPolarHBondContact O-CB 3.39Å; S88-L92 PolarHBondContact O-N 3.43Å; F89-L92 WeakPolarHBondContact O-CB 3.28Å; F89-L92 PolarHBondContact O-N 3.48Å; V90-L92 VanDerWaalsContact C-N 3.31Å; V90-L92 PolarHBondContact O-N 3.05Å; L92-D95 PolarHBondContact O-N 2.81Å; L92-A96 PolarHBondContact O-N 3.05Å; L92-I235 HydrophobicContact CD2-CG2 3.92Å; L92-L236 HydrophobicContact CD1-CD1 3.72Å; L92-L236 HydrophobicContact CD1-CD2 3.82Å; L92-L236 HydrophobicContact CD1-CG 3.62Å; L92-L236 HydrophobicContact CD2-CD2 3.9Å; L92-L236 HydrophobicContact CD2-CG 4.34Å; L92-L236 HydrophobicContact CG-CD2 4.27Å |
| 93 | L | 93.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 37.7 Ų | 37.7 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64 | -43.8 | 176.5 | -69.1 | 172.5 | 0 | 0 | 0 | 111.5 | F89 V90 R91 D95 A96 L97 | F89-L93 HydrophobicContact CD1-CD1 4.09Å; F89-L93 HydrophobicContact CE1-CD1 3.63Å; F89-L93 HydrophobicContact CE1-CG 4.36Å; F89-L93 HydrophobicContact CZ-CD1 4.19Å; F89-L93 PolarHBondContact O-N 3.47Å; F89-L93 VanDerWaalsContact O-N 3.13Å; V90-L93 WeakPolarHBondContact O-CB 3.48Å; V90-L93 PolarHBondContact O-N 3.5Å; R91-L93 VanDerWaalsContact C-N 3.32Å; R91-L93 PolarHBondContact O-N 3.34Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.39Å; L93-A96 PolarHBondContact O-N 3.44Å; L93-L97 WeakPolarHBondContact O-CG 3.33Å; L93-L97 PolarHBondContact O-N 3.18Å |
| 94 | I | 94.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 174.6 | -65.1 | 165.2 | 0 | 0 | 0 | 110.7 | V90 R91 A96 L97 W98 L203 D204 L207 | V90-I94 HydrophobicContact CG1-CD1 4.07Å; V90-I94 WeakPolarHBondContact O-CG1 3.5Å; V90-I94 PolarHBondContact O-N 3.2Å; R91-I94 PolarHBondContact O-N 3.43Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 3.24Å; I94-L97 PolarHBondContact O-N 3.43Å; I94-W98 PolarHBondContact O-N 2.93Å; I94-L203 HydrophobicContact CD1-CB 3.96Å; I94-L203 HydrophobicContact CG1-CB 3.9Å; I94-D204 HydrophobicContact CG2-CB 3.95Å; I94-L207 HydrophobicContact CD1-CB 4.12Å; I94-L207 HydrophobicContact CD1-CD2 3.77Å |
| 95 | D | 93.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 177.2 | -67.9 | -44.8 | 0 | 0 | 0 | 112.5 | L53 K57 R91 L92 L93 W98 I99 | L53-D95 HydrophobicContact CD1-CB 3.69Å; K57-D95 WeakPolarHBondContact CE-OD2 3.5Å; K57-D95 IonicContact NZ-OD1 3.55Å; K57-D95 IonicContact NZ-OD2 3.8Å; K57-D95 PolarHBondContact NZ-OD2 3.29Å; R91-D95 IonicContact NE-OD1 3.47Å; R91-D95 PolarHBondContact NE-OD1 3.44Å; R91-D95 IonicContact NE-OD2 2.94Å; R91-D95 WeakPolarHBondContact O-CB 3.49Å; R91-D95 PolarHBondContact O-N 3.25Å; R91-D95 VanDerWaalsContact O-OD2 3.05Å; L92-D95 PolarHBondContact O-N 2.81Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.39Å; D95-W98 PolarHBondContact O-NE1 3.13Å; D95-I99 WeakPolarHBondContact O-CG1 3.35Å; D95-I99 PolarHBondContact O-N 2.93Å |
| 96 | A | 91.6 | Very high | 91.2 | Very high | 38 Ų | 38 | 30.6 Ų | 30.6 | 31% | 0.314 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.7 | -47.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L53 L92 L93 I94 W98 I99 E100 | L53-A96 HydrophobicContact CD2-CB 4.48Å; L92-A96 PolarHBondContact O-N 3.05Å; L93-A96 PolarHBondContact O-N 3.44Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 3.24Å; A96-W98 VanDerWaalsContact C-N 3.34Å; A96-W98 PolarHBondContact O-N 3.27Å; A96-I99 PolarHBondContact O-N 3.28Å; A96-E100 WeakPolarHBondContact O-CG 3.07Å; A96-E100 PolarHBondContact O-N 2.8Å |
| 97 | L | 91.8 | Very high | 91.1 | Very high | 51 Ų | 51 | 25.9 Ų | 25.9 | 27% | 0.267 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -59.3 | -39.8 | -178.5 | -70.6 | 170.9 | 0 | 0 | 0 | 113 | L93 I94 E100 G101 V196 A200 L203 | L93-L97 WeakPolarHBondContact O-CG 3.33Å; L93-L97 PolarHBondContact O-N 3.18Å; I94-L97 PolarHBondContact O-N 3.43Å; L97-E100 PolarHBondContact O-N 3.46Å; L97-G101 PolarHBondContact O-N 3.34Å; L97-V196 HydrophobicContact CB-CG1 4.22Å; L97-V196 HydrophobicContact CD2-CG1 4.12Å; L97-V196 WeakPolarHBondContact O-CG1 3.37Å; L97-A200 HydrophobicContact CB-CB 3.88Å; L97-L203 HydrophobicContact CD1-CD1 3.96Å |
| 98 | W | 92.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.5 | -35.2 | 179.8 | 86.4 | -109.1 | 0 | 0 | 0 | 112.3 | T40 L56 I94 D95 A96 G101 L102 F110 F114 | T40-W98 HydrophobicContact CG2-CH2 4.3Å; L56-W98 HydrophobicContact CD1-CZ2 4.38Å; I94-W98 PolarHBondContact O-N 2.93Å; D95-W98 PolarHBondContact O-NE1 3.13Å; A96-W98 VanDerWaalsContact C-N 3.34Å; A96-W98 PolarHBondContact O-N 3.27Å; W98-G101 PolarHBondContact O-N 3.41Å; W98-L102 HydrophobicContact CE3-CB 4.45Å; W98-L102 HydrophobicContact CE3-CD2 4.47Å; W98-L102 HydrophobicContact CZ3-CD2 3.88Å; W98-L102 WeakPolarHBondContact O-CB 3.42Å; W98-L102 PolarHBondContact O-N 2.92Å; W98-F110 HydrophobicContact CB-CE2 3.94Å; W98-F110 AromaticContact CD2-CE2 3.93Å; W98-F110 HydrophobicContact CD2-CE2 3.93Å; W98-F110 AromaticContact CD2-CZ 3.95Å; W98-F110 HydrophobicContact CD2-CZ 3.95Å; W98-F110 HydrophobicContact CE3-CD2 4.19Å; W98-F110 HydrophobicContact CE3-CE1 4.27Å; W98-F110 AromaticContact CE3-CE2 3.19Å; W98-F110 HydrophobicContact CE3-CE2 3.19Å; W98-F110 AromaticContact CE3-CZ 3.21Å; W98-F110 HydrophobicContact CE3-CZ 3.21Å; W98-F110 HydrophobicContact CG-CE2 4.24Å; W98-F110 HydrophobicContact CZ3-CE1 4.3Å; W98-F110 AromaticContact CZ3-CE2 3.96Å; W98-F110 HydrophobicContact CZ3-CE2 3.96Å; W98-F110 AromaticContact CZ3-CZ 3.61Å; W98-F110 HydrophobicContact CZ3-CZ 3.61Å; W98-F114 HydrophobicContact CB-CD1 4.33Å; W98-F114 HydrophobicContact CB-CD2 3.96Å; W98-F114 HydrophobicContact CB-CE1 3.99Å; W98-F114 HydrophobicContact CB-CE2 3.6Å; W98-F114 HydrophobicContact CB-CG 4.31Å; W98-F114 HydrophobicContact CB-CZ 3.61Å; W98-F114 AromaticContact CD1-CZ 3.99Å; W98-F114 HydrophobicContact CG-CE1 4.07Å; W98-F114 HydrophobicContact CG-CE2 4.41Å; W98-F114 AromaticContact CG-CZ 3.93Å; W98-F114 HydrophobicContact CG-CZ 3.93Å |
| 99 | I | 92.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 174 | -69.2 | 173.9 | 0 | 0 | 0 | 109.4 | L44 P49 L53 D95 A96 G101 L102 I103 | L44-I99 HydrophobicContact CD1-CG2 4.14Å; L44-I99 HydrophobicContact CD2-CG2 3.6Å; P49-I99 HydrophobicContact CB-CG2 3.81Å; L53-I99 HydrophobicContact CB-CD1 3.93Å; L53-I99 HydrophobicContact CD1-CD1 3.91Å; L53-I99 HydrophobicContact CG-CD1 4.4Å; D95-I99 WeakPolarHBondContact O-CG1 3.35Å; D95-I99 PolarHBondContact O-N 2.93Å; A96-I99 PolarHBondContact O-N 3.28Å; I99-G101 PolarHBondContact O-N 3.33Å; I99-L102 WeakPolarHBondContact O-CB 3.46Å; I99-L102 PolarHBondContact O-N 3.36Å; I99-I103 HydrophobicContact CG2-CD1 4.32Å; I99-I103 WeakPolarHBondContact O-CG1 3.46Å; I99-I103 PolarHBondContact O-N 2.89Å; I99-I103 VanDerWaalsContact O-N 3.09Å |
| 100 | E | 85.5 | Confident | 90.5 | Very high | 37 Ų | 37 | 21.5 Ų | 21.5 | 17% | 0.173 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.5 | -65.7 | -56.7 | 155.6 | 0 | 0 | 111.9 | A96 L97 L102 I103 L104 I175 | A96-E100 WeakPolarHBondContact O-CG 3.07Å; A96-E100 PolarHBondContact O-N 2.8Å; L97-E100 PolarHBondContact O-N 3.46Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.32Å; E100-I103 WeakPolarHBondContact O-CB 3.47Å; E100-I103 PolarHBondContact O-N 3.14Å; E100-L104 WeakPolarHBondContact O-CG 3.48Å; E100-L104 PolarHBondContact O-N 3.14Å; E100-L104 VanDerWaalsContact O-N 3.09Å; E100-I175 WeakPolarHBondContact OE2-CD1 3.46Å |
| 101 | G | 89.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L97 W98 I99 L104 C105 | L97-G101 PolarHBondContact O-N 3.34Å; W98-G101 PolarHBondContact O-N 3.41Å; I99-G101 PolarHBondContact O-N 3.33Å; G101-L104 PolarHBondContact O-N 2.87Å; G101-C105 PolarHBondContact O-N 3.36Å; G101-C105 PolarHBondContact O-SG 3.5Å |
| 102 | L | 90.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 175.3 | 176.6 | 60.5 | 0 | 0 | 0 | 112.1 | V37 T40 Y41 L44 W98 I99 E100 G106 P107 F110 | V37-L102 HydrophobicContact CG1-CD1 4.12Å; T40-L102 HydrophobicContact CG2-CD2 3.88Å; Y41-L102 HydrophobicContact CD2-CD1 4.18Å; Y41-L102 HydrophobicContact CD2-CG 4.19Å; Y41-L102 WeakPolarHBondContact CD2-O 3.27Å; L44-L102 HydrophobicContact CD1-CB 4.49Å; L44-L102 HydrophobicContact CD1-CD2 3.71Å; L44-L102 HydrophobicContact CD1-CG 4.04Å; W98-L102 HydrophobicContact CE3-CB 4.45Å; W98-L102 HydrophobicContact CE3-CD2 4.47Å; W98-L102 HydrophobicContact CZ3-CD2 3.88Å; W98-L102 WeakPolarHBondContact O-CB 3.42Å; W98-L102 PolarHBondContact O-N 2.92Å; I99-L102 WeakPolarHBondContact O-CB 3.46Å; I99-L102 PolarHBondContact O-N 3.36Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.32Å; L102-G106 WeakPolarHBondContact O-CA 3.34Å; L102-G106 PolarHBondContact O-N 3.16Å; L102-G106 VanDerWaalsContact O-N 3.12Å; L102-P107 HydrophobicContact CD1-CB 4.04Å; L102-F110 HydrophobicContact CB-CD2 3.8Å; L102-F110 HydrophobicContact CB-CE2 4.36Å; L102-F110 HydrophobicContact CB-CG 4.23Å; L102-F110 HydrophobicContact CD1-CB 3.65Å; L102-F110 HydrophobicContact CD1-CD1 4.28Å; L102-F110 HydrophobicContact CD1-CD2 4.22Å; L102-F110 HydrophobicContact CD1-CG 3.77Å |
| 103 | I | 85.4 | Confident | 90.2 | Very high | 26 Ų | 26 | 16.2 Ų | 16.2 | 13% | 0.133 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.6 | -66.2 | 168.2 | 0 | 0 | 0 | 110.8 | L44 P49 I99 E100 L356 | L44-I103 HydrophobicContact CB-CG1 4.19Å; L44-I103 HydrophobicContact CD1-CG1 3.86Å; L44-I103 HydrophobicContact CD2-CD1 3.93Å; L44-I103 HydrophobicContact CD2-CG1 4.04Å; L44-I103 HydrophobicContact CG-CG1 4.25Å; P49-I103 HydrophobicContact CB-CD1 4.32Å; P49-I103 HydrophobicContact CG-CD1 3.46Å; P49-I103 VanDerWaalsContact CG-CD1 3.46Å; I99-I103 HydrophobicContact CG2-CD1 4.32Å; I99-I103 WeakPolarHBondContact O-CG1 3.46Å; I99-I103 PolarHBondContact O-N 2.89Å; I99-I103 VanDerWaalsContact O-N 3.09Å; E100-I103 WeakPolarHBondContact O-CB 3.47Å; E100-I103 PolarHBondContact O-N 3.14Å; I103-L356 HydrophobicContact CG2-CD2 3.56Å |
| 104 | L | 82.4 | Confident | 90.2 | Very high | 28 Ų | 28 | 13.4 Ų | 13.4 | 15% | 0.147 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -79 | -33.9 | -169 | -72.2 | 170.5 | 0 | 0 | 0 | 114.6 | E100 G101 D189 H190 V192 G193 H359 | E100-L104 WeakPolarHBondContact O-CG 3.48Å; E100-L104 PolarHBondContact O-N 3.14Å; E100-L104 VanDerWaalsContact O-N 3.09Å; G101-L104 PolarHBondContact O-N 2.87Å; L104-D189 HydrophobicContact CD2-CB 4.43Å; L104-H190 WeakPolarHBondContact O-CA 3.33Å; L104-V192 HydrophobicContact CD1-CG1 4.28Å; L104-G193 VanDerWaalsContact CB-CA 3.47Å; L104-H359 PolarHBondContact O-NE2 3.35Å |
| 105 | C | 83.4 | Confident | 90 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -120.1 | -4.5 | -174.2 | 75 | 0 | 0 | 0 | 0 | 114.7 | G101 R109 H190 V194 L197 H359 | G101-C105 PolarHBondContact O-N 3.36Å; G101-C105 PolarHBondContact O-SG 3.5Å; C105-R109 HydrophobicContact CB-CB 4.1Å; C105-R109 WeakPolarHBondContact O-CD 3.45Å; C105-R109 PolarHBondContact O-NH1 3.45Å; C105-H190 HydrophobicContact CB-CB 4.38Å; C105-V194 HydrophobicContact CB-CG2 4.41Å; C105-L197 WeakPolarHBondContact SG-CD1 3.42Å; C105-H359 VanDerWaalsContact C-NE2 3.31Å; C105-H359 PolarHBondContact O-CD2 3.1Å |
| 106 | G | 84.6 | Confident | 89.9 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | 82.2 | 170 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L102 F108 F110 | L102-G106 WeakPolarHBondContact O-CA 3.34Å; L102-G106 PolarHBondContact O-N 3.16Å; L102-G106 VanDerWaalsContact O-N 3.12Å; G106-F108 PolarHBondContact O-N 2.87Å; G106-F110 VanDerWaalsContact O-CB 3.28Å; G106-F110 WeakPolarHBondContact O-CB 3.26Å; G106-F110 PolarHBondContact O-N 3.33Å |
| 107 | P | 91 | Very high | 89.7 | Confident | 15 Ų | 15 | 15.3 Ų | 15.3 | 10% | 0.097 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.5 | -32.8 | -168.2 | 26 | -34.6 | 0 | 0 | 0 | 114.2 | V37 Y38 Y41 L102 F110 I111 | V37-P107 HydrophobicContact CG1-CB 4.12Å; Y38-P107 HydrophobicContact CD1-CB 4.11Å; Y38-P107 HydrophobicContact CD1-CG 3.72Å; Y38-P107 HydrophobicContact CD2-CB 3.86Å; Y38-P107 HydrophobicContact CD2-CG 4.35Å; Y38-P107 HydrophobicContact CE1-CB 4.08Å; Y38-P107 HydrophobicContact CE1-CG 3.53Å; Y38-P107 HydrophobicContact CE2-CB 3.83Å; Y38-P107 HydrophobicContact CE2-CG 4.2Å; Y38-P107 HydrophobicContact CG-CB 4Å; Y38-P107 HydrophobicContact CG-CG 4.13Å; Y41-P107 HydrophobicContact CD1-CG 4.17Å; Y41-P107 HydrophobicContact CG-CG 4.19Å; L102-P107 HydrophobicContact CD1-CB 4.04Å; P107-F110 WeakPolarHBondContact O-CB 3.26Å; P107-I111 WeakPolarHBondContact O-CB 3.23Å; P107-I111 PolarHBondContact O-N 3.38Å |
| 108 | F | 90.9 | Very high | 89.4 | Confident | 16 Ų | 16 | 13.6 Ų | 13.6 | 7% | 0.07 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -69 | -48.4 | -179.8 | 179.8 | -129.5 | 0 | 0 | 0 | 112.2 | G106 F110 I111 L112 S326 L327 M361 V365 V369 | G106-F108 PolarHBondContact O-N 2.87Å; F108-F110 VanDerWaalsContact C-N 3.31Å; F108-F110 PolarHBondContact O-N 2.92Å; F108-I111 PolarHBondContact O-N 2.81Å; F108-L112 WeakPolarHBondContact O-CB 3.41Å; F108-L112 PolarHBondContact O-N 3.43Å; F108-S326 WeakPolarHBondContact CD2-OG 3.32Å; F108-L327 HydrophobicContact CE2-CB 4.12Å; F108-L327 HydrophobicContact CE2-CD1 4.45Å; F108-L327 HydrophobicContact CZ-CB 4.44Å; F108-L327 HydrophobicContact CZ-CD1 3.98Å; F108-M361 HydrophobicContact CD1-CE 3.62Å; F108-M361 HydrophobicContact CD2-CE 4.47Å; F108-M361 HydrophobicContact CE1-CE 3.36Å; F108-M361 HydrophobicContact CE1-SD 3.92Å; F108-M361 HydrophobicContact CE2-CE 4.32Å; F108-M361 HydrophobicContact CG-CE 4.16Å; F108-M361 HydrophobicContact CZ-CE 3.77Å; F108-M361 HydrophobicContact CZ-SD 4.44Å; F108-V365 HydrophobicContact CD1-CG1 3.87Å; F108-V365 HydrophobicContact CE1-CG1 3.29Å; F108-V365 HydrophobicContact CZ-CG1 4.23Å; F108-V369 HydrophobicContact CE1-CG2 4.42Å; F108-V369 HydrophobicContact CZ-CG2 3.71Å |
| 109 | R | 90.2 | Very high | 89 | Confident | 7 Ų | 7 | 13.2 Ų | 13.2 | 3% | 0.026 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 176.8 | -63.4 | -175.2 | -173.3 | 102.3 | -11.3 | 111.3 | C105 L112 L113 D155 D157 H359 | C105-R109 HydrophobicContact CB-CB 4.1Å; C105-R109 WeakPolarHBondContact O-CD 3.45Å; C105-R109 PolarHBondContact O-NH1 3.45Å; R109-L112 PolarHBondContact O-N 3.1Å; R109-L113 WeakPolarHBondContact O-CB 3.16Å; R109-L113 PolarHBondContact O-N 3.01Å; R109-D155 WeakPolarHBondContact CD-OD2 3.29Å; R109-D155 IonicContact CZ-OD1 2.69Å; R109-D155 IonicContact CZ-OD2 3.45Å; R109-D155 VanDerWaalsContact CZ-OD2 3.27Å; R109-D155 IonicContact NE-OD1 3.53Å; R109-D155 IonicContact NE-OD2 3.58Å; R109-D155 PolarHBondContact NE-OD2 3.14Å; R109-D155 IonicContact NH2-OD1 2.77Å; R109-D155 PolarHBondContact NH2-OD1 3.45Å; R109-D155 IonicContact NH2-OD2 2.8Å; R109-D155 PolarHBondContact NH2-OD2 3.34Å; R109-D157 IonicContact CZ-OD2 3.47Å; R109-D157 IonicContact NH1-OD2 3.82Å; R109-D157 IonicContact NH2-OD2 2.73Å; R109-D157 PolarHBondContact NH2-OD2 2.86Å; R109-H359 PolarHBondContact NH1-ND1 2.97Å; R109-H359 VanDerWaalsContact NH1-ND1 3.11Å |
| 110 | F | 93.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 13.1 Ų | 13.1 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -53 | -54 | 169.7 | 175.7 | -90.1 | 0 | 0 | 0 | 112.4 | V37 W98 L102 G106 P107 F108 L112 L113 F114 E115 L197 | V37-F110 HydrophobicContact CG1-CD1 3.48Å; V37-F110 VanDerWaalsContact CG1-CD1 3.48Å; V37-F110 HydrophobicContact CG1-CE1 3.86Å; V37-F110 HydrophobicContact CG1-CG 4.39Å; V37-F110 HydrophobicContact CG2-CD1 4.36Å; V37-F110 HydrophobicContact CG2-CE1 3.96Å; W98-F110 HydrophobicContact CB-CE2 3.94Å; W98-F110 AromaticContact CD2-CE2 3.93Å; W98-F110 HydrophobicContact CD2-CE2 3.93Å; W98-F110 AromaticContact CD2-CZ 3.95Å; W98-F110 HydrophobicContact CD2-CZ 3.95Å; W98-F110 HydrophobicContact CE3-CD2 4.19Å; W98-F110 HydrophobicContact CE3-CE1 4.27Å; W98-F110 AromaticContact CE3-CE2 3.19Å; W98-F110 HydrophobicContact CE3-CE2 3.19Å; W98-F110 AromaticContact CE3-CZ 3.21Å; W98-F110 HydrophobicContact CE3-CZ 3.21Å; W98-F110 HydrophobicContact CG-CE2 4.24Å; W98-F110 HydrophobicContact CZ3-CE1 4.3Å; W98-F110 AromaticContact CZ3-CE2 3.96Å; W98-F110 HydrophobicContact CZ3-CE2 3.96Å; W98-F110 AromaticContact CZ3-CZ 3.61Å; W98-F110 HydrophobicContact CZ3-CZ 3.61Å; L102-F110 HydrophobicContact CB-CD2 3.8Å; L102-F110 HydrophobicContact CB-CE2 4.36Å; L102-F110 HydrophobicContact CB-CG 4.23Å; L102-F110 HydrophobicContact CD1-CB 3.65Å; L102-F110 HydrophobicContact CD1-CD1 4.28Å; L102-F110 HydrophobicContact CD1-CD2 4.22Å; L102-F110 HydrophobicContact CD1-CG 3.77Å; G106-F110 VanDerWaalsContact O-CB 3.28Å; G106-F110 WeakPolarHBondContact O-CB 3.26Å; G106-F110 PolarHBondContact O-N 3.33Å; P107-F110 WeakPolarHBondContact O-CB 3.26Å; F108-F110 VanDerWaalsContact C-N 3.31Å; F108-F110 PolarHBondContact O-N 2.92Å; F110-L112 VanDerWaalsContact C-N 3.28Å; F110-L112 PolarHBondContact O-N 3.45Å; F110-L113 PolarHBondContact O-N 3.34Å; F110-F114 HydrophobicContact CD2-CB 4.09Å; F110-F114 HydrophobicContact CE1-CD1 4.14Å; F110-F114 HydrophobicContact CE2-CB 3.75Å; F110-F114 AromaticContact CE2-CD1 3.64Å; F110-F114 HydrophobicContact CE2-CD1 3.64Å; F110-F114 HydrophobicContact CE2-CE1 4.41Å; F110-F114 AromaticContact CE2-CG 3.75Å; F110-F114 HydrophobicContact CE2-CG 3.75Å; F110-F114 HydrophobicContact CZ-CB 4.02Å; F110-F114 AromaticContact CZ-CD1 3.3Å; F110-F114 HydrophobicContact CZ-CD1 3.3Å; F110-F114 HydrophobicContact CZ-CE1 4.01Å; F110-F114 AromaticContact CZ-CG 3.88Å; F110-F114 HydrophobicContact CZ-CG 3.88Å; F110-F114 WeakPolarHBondContact O-CA 3.31Å; F110-F114 VanDerWaalsContact O-CB 3.31Å; F110-F114 WeakPolarHBondContact O-CB 3.26Å; F110-F114 PolarHBondContact O-N 2.78Å; F110-E115 HydrophobicContact CE1-CG 4.3Å; F110-L197 HydrophobicContact CB-CD1 4.28Å; F110-L197 HydrophobicContact CD2-CD1 4.23Å; F110-L197 HydrophobicContact CD2-CD2 3.62Å; F110-L197 HydrophobicContact CE2-CD2 3.96Å |
| 111 | I | 93.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 178 | -83.7 | 160.3 | 0 | 0 | 0 | 111.8 | V34 V37 Y38 P107 F108 E115 K319 V322 S326 | V34-I111 HydrophobicContact CB-CD1 4.18Å; V34-I111 HydrophobicContact CG1-CD1 3.73Å; V34-I111 HydrophobicContact CG2-CD1 3.96Å; V37-I111 HydrophobicContact CB-CD1 4.19Å; V37-I111 HydrophobicContact CG1-CD1 4.04Å; V37-I111 HydrophobicContact CG1-CG1 4.18Å; Y38-I111 HydrophobicContact CD2-CD1 4.41Å; Y38-I111 HydrophobicContact CE2-CD1 4.02Å; P107-I111 WeakPolarHBondContact O-CB 3.23Å; P107-I111 PolarHBondContact O-N 3.38Å; F108-I111 PolarHBondContact O-N 2.81Å; I111-E115 HydrophobicContact CG1-CG 4.24Å; I111-E115 WeakPolarHBondContact O-CB 3.21Å; I111-K319 PolarHBondContact O-NZ 2.9Å; I111-V322 HydrophobicContact CB-CG1 4.37Å; I111-V322 HydrophobicContact CG1-CG1 4.22Å; I111-V322 HydrophobicContact CG2-CG1 3.39Å; I111-S326 WeakPolarHBondContact CD1-OG 3.42Å |
| 112 | L | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.2 | -40.5 | -178.6 | -171.4 | 55.1 | 0 | 0 | 0 | 111.6 | F108 R109 F110 H116 L151 K319 V323 V365 V369 I372 | F108-L112 WeakPolarHBondContact O-CB 3.41Å; F108-L112 PolarHBondContact O-N 3.43Å; R109-L112 PolarHBondContact O-N 3.1Å; F110-L112 VanDerWaalsContact C-N 3.28Å; F110-L112 PolarHBondContact O-N 3.45Å; L112-H116 PolarHBondContact O-CE1 3.46Å; L112-H116 VanDerWaalsContact O-CE1 3.27Å; L112-H116 PolarHBondContact O-NE2 2.89Å; L112-L151 HydrophobicContact CD2-CD1 3.8Å; L112-L151 HydrophobicContact CD2-CD2 4.1Å; L112-L151 HydrophobicContact CD2-CG 4.43Å; L112-L151 HydrophobicContact CG-CD1 4.19Å; L112-K319 PolarHBondContact O-NZ 2.74Å; L112-V323 HydrophobicContact CD1-CG2 4.28Å; L112-V365 HydrophobicContact CD2-CG1 4.38Å; L112-V369 HydrophobicContact CD1-CG2 4.09Å; L112-V369 HydrophobicContact CD2-CG2 3.83Å; L112-I372 HydrophobicContact CD1-CB 4.22Å; L112-I372 HydrophobicContact CD1-CD1 3.77Å; L112-I372 HydrophobicContact CD1-CG2 4.1Å; L112-I372 HydrophobicContact CD2-CD1 4.42Å; L112-I372 HydrophobicContact CG-CD1 3.74Å |
| 113 | L | 92.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -100.3 | -32.7 | -173.3 | -71.8 | 171.5 | 0 | 0 | 0 | 116.3 | R109 F110 H116 V148 L151 V194 L197 I198 | R109-L113 WeakPolarHBondContact O-CB 3.16Å; R109-L113 PolarHBondContact O-N 3.01Å; F110-L113 PolarHBondContact O-N 3.34Å; L113-H116 PolarHBondContact O-CD2 3.24Å; L113-V148 HydrophobicContact CD2-CG2 4.05Å; L113-L151 HydrophobicContact CD1-CD1 3.93Å; L113-L151 HydrophobicContact CD2-CD1 3.65Å; L113-L151 HydrophobicContact CG-CD1 3.69Å; L113-V194 HydrophobicContact CD1-CB 4.08Å; L113-V194 HydrophobicContact CD1-CG1 3.71Å; L113-V194 HydrophobicContact CD1-CG2 3.88Å; L113-L197 HydrophobicContact CB-CB 4.25Å; L113-L197 HydrophobicContact CB-CD1 4.32Å; L113-L197 HydrophobicContact CD1-CB 4.46Å; L113-L197 HydrophobicContact CD1-CD1 4.36Å; L113-I198 HydrophobicContact CD2-CG1 4.18Å |
| 114 | F | 93.2 | Very high | 88.7 | Confident | 28 Ų | 28 | 12.1 Ų | 12.1 | 12% | 0.123 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -36.5 | -174.4 | -173.2 | -97.2 | 0 | 0 | 0 | 113 | W98 F110 H116 L197 A200 V201 | W98-F114 HydrophobicContact CB-CD1 4.33Å; W98-F114 HydrophobicContact CB-CD2 3.96Å; W98-F114 HydrophobicContact CB-CE1 3.99Å; W98-F114 HydrophobicContact CB-CE2 3.6Å; W98-F114 HydrophobicContact CB-CG 4.31Å; W98-F114 HydrophobicContact CB-CZ 3.61Å; W98-F114 AromaticContact CD1-CZ 3.99Å; W98-F114 HydrophobicContact CG-CE1 4.07Å; W98-F114 HydrophobicContact CG-CE2 4.41Å; W98-F114 AromaticContact CG-CZ 3.93Å; W98-F114 HydrophobicContact CG-CZ 3.93Å; F110-F114 HydrophobicContact CD2-CB 4.09Å; F110-F114 HydrophobicContact CE1-CD1 4.14Å; F110-F114 HydrophobicContact CE2-CB 3.75Å; F110-F114 AromaticContact CE2-CD1 3.64Å; F110-F114 HydrophobicContact CE2-CD1 3.64Å; F110-F114 HydrophobicContact CE2-CE1 4.41Å; F110-F114 AromaticContact CE2-CG 3.75Å; F110-F114 HydrophobicContact CE2-CG 3.75Å; F110-F114 HydrophobicContact CZ-CB 4.02Å; F110-F114 AromaticContact CZ-CD1 3.3Å; F110-F114 HydrophobicContact CZ-CD1 3.3Å; F110-F114 HydrophobicContact CZ-CE1 4.01Å; F110-F114 AromaticContact CZ-CG 3.88Å; F110-F114 HydrophobicContact CZ-CG 3.88Å; F110-F114 WeakPolarHBondContact O-CA 3.31Å; F110-F114 VanDerWaalsContact O-CB 3.31Å; F110-F114 WeakPolarHBondContact O-CB 3.26Å; F110-F114 PolarHBondContact O-N 2.78Å; F114-H116 PolarHBondContact O-N 3.13Å; F114-L197 HydrophobicContact CB-CD2 4.2Å; F114-L197 HydrophobicContact CD2-CD2 4.49Å; F114-A200 HydrophobicContact CD2-CB 4.12Å; F114-A200 HydrophobicContact CE2-CB 3.88Å; F114-V201 HydrophobicContact CD2-CB 4.09Å |
| 115 | E | 91.4 | Very high | 88.8 | Confident | 34 Ų | 34 | 12.7 Ų | 12.7 | 16% | 0.159 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -76.2 | 63.7 | 176 | -68.1 | -76.4 | 155.5 | 0 | 0 | 110.8 | K33 F110 I111 K319 V322 | K33-E115 WeakPolarHBondContact CE-OE1 3.49Å; K33-E115 IonicContact NZ-OE1 3.76Å; K33-E115 PolarHBondContact NZ-OE1 2.91Å; F110-E115 HydrophobicContact CE1-CG 4.3Å; I111-E115 HydrophobicContact CG1-CG 4.24Å; I111-E115 WeakPolarHBondContact O-CB 3.21Å; E115-K319 WeakPolarHBondContact O-CD 3.43Å; E115-K319 PolarHBondContact O-NZ 3.44Å; E115-V322 HydrophobicContact CB-CG1 4.25Å; E115-V322 HydrophobicContact CG-CG1 4.47Å |
| 116 | H | 90.2 | Very high | 88.5 | Confident | 19 Ų | 19 | 13.6 Ų | 13.6 | 9% | 0.088 | 8% | 0.084 | C | C | . | . | trans | -113.9 | 139.8 | 170.2 | -71.2 | -58.7 | 0 | 0 | 0 | 110.3 | L112 L113 F114 L120 I121 F144 V201 K319 | L112-H116 PolarHBondContact O-CE1 3.46Å; L112-H116 VanDerWaalsContact O-CE1 3.27Å; L112-H116 PolarHBondContact O-NE2 2.89Å; L113-H116 PolarHBondContact O-CD2 3.24Å; F114-H116 PolarHBondContact O-N 3.13Å; H116-L120 HydrophobicContact CB-CD2 4.37Å; H116-L120 WeakPolarHBondContact ND1-CD2 3.45Å; H116-I121 HydrophobicContact CB-CD1 3.6Å; H116-I121 HydrophobicContact CB-CG1 3.74Å; H116-F144 AromaticContact CE1-CE2 3.76Å; H116-F144 AromaticContact NE2-CE2 3.56Å; H116-F144 AromaticContact NE2-CZ 3.98Å; H116-V201 HydrophobicContact CB-CG2 4.25Å; H116-K319 WeakPolarHBondContact CE1-CE 3.35Å; H116-K319 PolarHBondContact CE1-NZ 3.14Å; H116-K319 WeakPolarHBondContact ND1-CE 3.42Å; H116-K319 PolarHBondContact ND1-NZ 3.28Å | ||
| 117 | S | 87.6 | Confident | 88.2 | Confident | 38 Ų | 38 | 14.3 Ų | 14.3 | 27% | 0.266 | 9% | 0.087 | S | C | . | . | trans | -65.2 | 142 | 169.8 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | L119 L120 I121 T315 | S117-L119 PolarHBondContact O-N 3.28Å; S117-L119 VanDerWaalsContact O-N 3.13Å; S117-L119 PolarHBondContact OG-N 3.33Å; S117-L120 WeakPolarHBondContact O-CB 3.21Å; S117-L120 PolarHBondContact O-N 3.2Å; S117-I121 PolarHBondContact O-N 3.45Å; S117-T315 WeakPolarHBondContact CB-OG1 3.34Å; S117-T315 PolarHBondContact OG-OG1 3.14Å | ||
| 118 | E | 85.5 | Confident | 87.5 | Confident | 15 Ų | 15 | 18.5 Ų | 18.5 | 7% | 0.07 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.5 | -32.6 | 173.9 | -56.4 | 145.4 | 139.4 | 0 | 0 | 111 | L120 I121 L122 A208 S400 M401 L406 | E118-L120 VanDerWaalsContact C-N 3.31Å; E118-L120 PolarHBondContact O-N 2.65Å; E118-I121 PolarHBondContact O-N 2.88Å; E118-L122 HydrophobicContact CB-CD1 4.4Å; E118-L122 WeakPolarHBondContact O-CB 3.42Å; E118-L122 WeakPolarHBondContact O-CG 3.43Å; E118-L122 PolarHBondContact O-N 3.46Å; E118-A208 HydrophobicContact CG-CB 4.1Å; E118-A208 WeakPolarHBondContact OE1-CB 3.32Å; E118-S400 VanDerWaalsContact OE2-C 3.29Å; E118-S400 WeakPolarHBondContact OE2-CA 3.29Å; E118-M401 VanDerWaalsContact CD-N 3.33Å; E118-M401 WeakPolarHBondContact OE1-CG 3.46Å; E118-M401 PolarHBondContact OE1-N 3.06Å; E118-M401 PolarHBondContact OE2-N 3.48Å; E118-L406 HydrophobicContact CB-CD1 4.2Å |
| 119 | L | 84.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 174.5 | 178.3 | 68.3 | 0 | 0 | 0 | 111.8 | S117 A123 A311 Q312 I397 L406 | S117-L119 PolarHBondContact O-N 3.28Å; S117-L119 VanDerWaalsContact O-N 3.13Å; S117-L119 PolarHBondContact OG-N 3.33Å; L119-A123 WeakPolarHBondContact O-CB 2.99Å; L119-A123 PolarHBondContact O-N 3.27Å; L119-A311 HydrophobicContact CD2-CB 4.42Å; L119-Q312 HydrophobicContact CD2-CB 4.39Å; L119-Q312 HydrophobicContact CD2-CG 3.72Å; L119-I397 HydrophobicContact CD1-CD1 3.64Å; L119-L406 HydrophobicContact CB-CD1 4.09Å; L119-L406 HydrophobicContact CB-CD2 4.06Å; L119-L406 HydrophobicContact CD1-CB 3.98Å; L119-L406 HydrophobicContact CD1-CD2 4.23Å |
| 120 | L | 89 | Confident | 85.8 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.4 | -47 | -178.2 | 178.3 | 63.9 | 0 | 0 | 0 | 110.6 | H116 S117 E118 A123 A124 T315 L379 | H116-L120 HydrophobicContact CB-CD2 4.37Å; H116-L120 WeakPolarHBondContact ND1-CD2 3.45Å; S117-L120 WeakPolarHBondContact O-CB 3.21Å; S117-L120 PolarHBondContact O-N 3.2Å; E118-L120 VanDerWaalsContact C-N 3.31Å; E118-L120 PolarHBondContact O-N 2.65Å; L120-A123 PolarHBondContact O-N 2.61Å; L120-A124 WeakPolarHBondContact O-CB 3.22Å; L120-A124 PolarHBondContact O-N 2.82Å; L120-T315 HydrophobicContact CB-CG2 4.26Å; L120-L379 HydrophobicContact CD1-CB 3.63Å; L120-L379 HydrophobicContact CD1-CD1 3.55Å; L120-L379 HydrophobicContact CD1-CG 4.22Å |
| 121 | I | 90 | Very high | 84.5 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 5% | 0.046 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -48.7 | -179.4 | -59.9 | -60 | 0 | 0 | 0 | 110.8 | H116 S117 E118 A123 A124 A125 F144 V201 A205 | H116-I121 HydrophobicContact CB-CD1 3.6Å; H116-I121 HydrophobicContact CB-CG1 3.74Å; S117-I121 PolarHBondContact O-N 3.45Å; E118-I121 PolarHBondContact O-N 2.88Å; I121-A123 VanDerWaalsContact C-N 3.32Å; I121-A123 PolarHBondContact O-N 3.42Å; I121-A124 PolarHBondContact O-N 2.93Å; I121-A125 VanDerWaalsContact O-CB 3.28Å; I121-A125 WeakPolarHBondContact O-CB 3.29Å; I121-A125 PolarHBondContact O-N 2.91Å; I121-F144 HydrophobicContact CD1-CE1 4.42Å; I121-F144 HydrophobicContact CD1-CE2 4.22Å; I121-F144 HydrophobicContact CD1-CZ 3.63Å; I121-V201 HydrophobicContact CD1-CG1 4.36Å; I121-V201 HydrophobicContact CD1-CG2 4.03Å; I121-V201 HydrophobicContact CG1-CG2 3.99Å; I121-A205 HydrophobicContact CB-CB 3.98Å; I121-A205 HydrophobicContact CG2-CB 3.61Å |
| 122 | L | 85.7 | Confident | 83.3 | Confident | 25 Ų | 25 | 26.6 Ų | 26.6 | 13% | 0.131 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.2 | -33 | 179 | -64.1 | 171.1 | 0 | 0 | 0 | 111.7 | E118 G126 A205 I397 | E118-L122 HydrophobicContact CB-CD1 4.4Å; E118-L122 WeakPolarHBondContact O-CB 3.42Å; E118-L122 WeakPolarHBondContact O-CG 3.43Å; E118-L122 PolarHBondContact O-N 3.46Å; L122-G126 WeakPolarHBondContact O-CA 3.42Å; L122-G126 PolarHBondContact O-N 3.39Å; L122-A205 HydrophobicContact CD2-CB 4.27Å; L122-A205 HydrophobicContact CG-CB 4.3Å; L122-I397 HydrophobicContact CB-CB 4.46Å; L122-I397 HydrophobicContact CB-CG2 3.42Å; L122-I397 VanDerWaalsContact CB-CG2 3.42Å; L122-I397 HydrophobicContact CD1-CG2 4.44Å; L122-I397 HydrophobicContact CG-CG2 4.49Å |
| 123 | A | 83.1 | Confident | 81.8 | Confident | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | L119 L120 I121 T127 L379 I397 T408 | L119-A123 WeakPolarHBondContact O-CB 2.99Å; L119-A123 PolarHBondContact O-N 3.27Å; L120-A123 PolarHBondContact O-N 2.61Å; I121-A123 VanDerWaalsContact C-N 3.32Å; I121-A123 PolarHBondContact O-N 3.42Å; A123-T127 WeakPolarHBondContact O-CB 3.37Å; A123-T127 WeakPolarHBondContact O-CG2 3.37Å; A123-T127 PolarHBondContact O-N 2.9Å; A123-T127 PolarHBondContact O-OG1 3.29Å; A123-L379 HydrophobicContact CB-CD2 4.36Å; A123-I397 HydrophobicContact CB-CD1 4.16Å; A123-T408 HydrophobicContact CB-CG2 4.11Å |
| 124 | A | 87.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.4 | -49.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L120 I121 G126 T127 F128 S141 F144 L379 | L120-A124 WeakPolarHBondContact O-CB 3.22Å; L120-A124 PolarHBondContact O-N 2.82Å; I121-A124 PolarHBondContact O-N 2.93Å; A124-G126 VanDerWaalsContact C-N 3.34Å; A124-G126 PolarHBondContact O-N 3.45Å; A124-T127 PolarHBondContact O-N 3.47Å; A124-T127 PolarHBondContact O-OG1 3.1Å; A124-F128 VanDerWaalsContact O-CB 3.29Å; A124-F128 WeakPolarHBondContact O-CB 3.32Å; A124-F128 PolarHBondContact O-N 3.47Å; A124-S141 PolarHBondContact O-OG 2.82Å; A124-S141 VanDerWaalsContact O-OG 3.1Å; A124-F144 HydrophobicContact CB-CD1 4.1Å; A124-F144 HydrophobicContact CB-CG 4.3Å; A124-L379 HydrophobicContact CB-CD1 3.83Å |
| 125 | A | 84.3 | Confident | 79.8 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I121 F128 I129 | I121-A125 VanDerWaalsContact O-CB 3.28Å; I121-A125 WeakPolarHBondContact O-CB 3.29Å; I121-A125 PolarHBondContact O-N 2.91Å; A125-F128 PolarHBondContact O-N 3.33Å; A125-I129 HydrophobicContact CB-CD1 4.5Å; A125-I129 VanDerWaalsContact O-CB 3.31Å; A125-I129 WeakPolarHBondContact O-CB 3.25Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 2.83Å |
| 126 | G | 77 | Confident | 79.2 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L122 A124 F128 F130 | L122-G126 WeakPolarHBondContact O-CA 3.42Å; L122-G126 PolarHBondContact O-N 3.39Å; A124-G126 VanDerWaalsContact C-N 3.34Å; A124-G126 PolarHBondContact O-N 3.45Å; G126-F128 VanDerWaalsContact C-N 3.34Å; G126-F130 WeakPolarHBondContact O-CB 2.9Å; G126-F130 PolarHBondContact O-N 3.28Å |
| 127 | T | 78.1 | Confident | 78.6 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.8 | -32.6 | 176.1 | 47.7 | 0 | 0 | 0 | 0 | 113 | A123 A124 G131 K137 S141 | A123-T127 WeakPolarHBondContact O-CB 3.37Å; A123-T127 WeakPolarHBondContact O-CG2 3.37Å; A123-T127 PolarHBondContact O-N 2.9Å; A123-T127 PolarHBondContact O-OG1 3.29Å; A124-T127 PolarHBondContact O-N 3.47Å; A124-T127 PolarHBondContact O-OG1 3.1Å; T127-G131 CarbonylContact O-C 3.54Å; T127-G131 WeakPolarHBondContact O-CA 3.22Å; T127-G131 PolarHBondContact O-N 2.63Å; T127-G131 VanDerWaalsContact O-N 3.09Å; T127-K137 HydrophobicContact CG2-CB 3.59Å; T127-K137 HydrophobicContact CG2-CG 4.46Å; T127-S141 VanDerWaalsContact OG1-CB 3.3Å; T127-S141 WeakPolarHBondContact OG1-CB 3.5Å; T127-S141 PolarHBondContact OG1-OG 3.35Å |
| 128 | F | 77.6 | Confident | 78.3 | Confident | 104 Ų | 104 | 40.4 Ų | 40.4 | 46% | 0.456 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70.3 | -48.1 | 175.5 | -170.9 | -102.7 | 0 | 0 | 0 | 112.2 | A124 A125 G126 L428 | A124-F128 VanDerWaalsContact O-CB 3.29Å; A124-F128 WeakPolarHBondContact O-CB 3.32Å; A124-F128 PolarHBondContact O-N 3.47Å; A125-F128 PolarHBondContact O-N 3.33Å; G126-F128 VanDerWaalsContact C-N 3.34Å; F128-L428 HydrophobicContact CD1-CD2 4.04Å; F128-L428 HydrophobicContact CE1-CD2 3.31Å; F128-L428 HydrophobicContact CE2-CD2 4.29Å; F128-L428 HydrophobicContact CZ-CD2 3.47Å; F128-L428 VanDerWaalsContact CZ-CD2 3.47Å; F128-L428 VanDerWaalsContact O-CB 3.22Å; F128-L428 WeakPolarHBondContact O-CB 3.33Å; F128-L428 PolarHBondContact O-N 2.84Å |
| 129 | I | 75.3 | Confident | 78.4 | Confident | 80 Ų | 80 | 45.5 Ų | 45.5 | 41% | 0.41 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -75.4 | -52.2 | -175.1 | -65.1 | 168.3 | 0 | 0 | 0 | 111.3 | A125 G427 L428 | A125-I129 HydrophobicContact CB-CD1 4.5Å; A125-I129 VanDerWaalsContact O-CB 3.31Å; A125-I129 WeakPolarHBondContact O-CB 3.25Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 2.83Å; I129-G427 WeakPolarHBondContact O-CA 3.48Å; I129-L428 PolarHBondContact O-N 2.89Å |
| 130 | F | 69.9 | Low | 78.6 | Confident | 91 Ų | 91 | 45.3 Ų | 45.3 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -97.3 | -11.9 | -172.1 | -54.9 | -67.7 | 0 | 0 | 0 | 113.6 | G126 L419 G427 | G126-F130 WeakPolarHBondContact O-CB 2.9Å; G126-F130 PolarHBondContact O-N 3.28Å; F130-L419 HydrophobicContact CB-CD2 3.55Å; F130-L419 WeakPolarHBondContact O-CD2 2.87Å; F130-G427 WeakPolarHBondContact O-CA 3.4Å; F130-G427 PolarHBondContact O-N 3.02Å |
| 131 | G | 66.9 | Low | 78.7 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | trans | 83.9 | 172.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T127 F426 | T127-G131 CarbonylContact O-C 3.54Å; T127-G131 WeakPolarHBondContact O-CA 3.22Å; T127-G131 PolarHBondContact O-N 2.63Å; T127-G131 VanDerWaalsContact O-N 3.09Å; G131-F426 VanDerWaalsContact CA-O 3.25Å; G131-F426 WeakPolarHBondContact CA-O 3.27Å | ||
| 132 | S | 67.7 | Low | 78.7 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | trans | -155.6 | 132.1 | 178.6 | 160.4 | 0 | 0 | 0 | 0 | 111.4 | C134 T138 | S132-C134 PolarHBondContact O-N 3.22Å; S132-C134 WeakPolarHBondContact OG-CB 3.44Å; S132-C134 PolarHBondContact OG-N 3.41Å; S132-C134 PolarHBondContact OG-O 2.9Å; S132-T138 PolarHBondContact O-OG1 3Å | ||
| 133 | H | 61.2 | Low | 79.1 | Confident | 114 Ų | 114 | 50.7 Ų | 50.7 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -69.7 | -18.5 | 168.6 | -67.4 | -76.9 | 0 | 0 | 0 | 113 | T135 F426 | H133-T135 PolarHBondContact O-N 3.37Å; H133-F426 AromaticContact CE1-CD2 3.6Å; H133-F426 AromaticContact CE1-CE1 3.83Å; H133-F426 AromaticContact CE1-CE2 3.23Å; H133-F426 WeakPolarHBondContact CE1-CE2 3.47Å; H133-F426 AromaticContact CE1-CZ 3.36Å; H133-F426 WeakPolarHBondContact CE1-CZ 3.46Å; H133-F426 AromaticContact ND1-CZ 3.99Å; H133-F426 AromaticContact NE2-CD2 3.78Å; H133-F426 AromaticContact NE2-CE2 3.78Å |
| 134 | C | 68.1 | Low | 79.6 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | trans | -82.3 | 107.5 | 178 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | S132 K136 K137 T138 | S132-C134 PolarHBondContact O-N 3.22Å; S132-C134 WeakPolarHBondContact OG-CB 3.44Å; S132-C134 PolarHBondContact OG-N 3.41Å; S132-C134 PolarHBondContact OG-O 2.9Å; C134-K136 PolarHBondContact O-N 3.2Å; C134-K136 VanDerWaalsContact O-N 3.16Å; C134-K137 HydrophobicContact CB-CB 4.21Å; C134-K137 HydrophobicContact CB-CG 3.85Å; C134-K137 PolarHBondContact O-N 3.22Å; C134-T138 PolarHBondContact O-N 3.46Å; C134-T138 VanDerWaalsContact O-N 3.12Å; C134-T138 PolarHBondContact O-OG1 2.8Å | ||
| 135 | T | 74.3 | Confident | 79.8 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 64% | 0.638 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.8 | -33.7 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 113 | H133 R139 | H133-T135 PolarHBondContact O-N 3.37Å; T135-R139 WeakPolarHBondContact O-CB 2.83Å; T135-R139 WeakPolarHBondContact O-CG 3.32Å; T135-R139 PolarHBondContact O-N 3.26Å |
| 136 | K | 79.9 | Confident | 80.2 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175 | -71.2 | -169.3 | 174.8 | -166.1 | 0 | 112.5 | C134 R139 G140 L378 | C134-K136 PolarHBondContact O-N 3.2Å; C134-K136 VanDerWaalsContact O-N 3.16Å; K136-R139 PolarHBondContact O-N 2.81Å; K136-G140 PolarHBondContact O-N 3.4Å; K136-L378 HydrophobicContact CB-CD2 4.32Å; K136-L378 HydrophobicContact CD-CD2 4.46Å; K136-L378 HydrophobicContact CG-CD2 4.37Å |
| 137 | K | 78.1 | Confident | 81 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.9 | -40 | -179.8 | -61 | -64.5 | -172.9 | -158.7 | 0 | 111.4 | T127 C134 G140 S141 L378 L379 | T127-K137 HydrophobicContact CG2-CB 3.59Å; T127-K137 HydrophobicContact CG2-CG 4.46Å; C134-K137 HydrophobicContact CB-CB 4.21Å; C134-K137 HydrophobicContact CB-CG 3.85Å; C134-K137 PolarHBondContact O-N 3.22Å; K137-G140 PolarHBondContact O-N 2.8Å; K137-S141 WeakPolarHBondContact O-CB 3.04Å; K137-S141 PolarHBondContact O-N 3.49Å; K137-L378 PolarHBondContact NZ-O 3.05Å; K137-L379 HydrophobicContact CB-CD2 4.3Å; K137-L379 HydrophobicContact CD-CD2 4Å; K137-L379 PolarHBondContact NZ-O 2.85Å |
| 138 | T | 81.6 | Confident | 81.7 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 173.9 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | S132 C134 G140 S141 V142 | S132-T138 PolarHBondContact O-OG1 3Å; C134-T138 PolarHBondContact O-N 3.46Å; C134-T138 VanDerWaalsContact O-N 3.12Å; C134-T138 PolarHBondContact O-OG1 2.8Å; T138-G140 PolarHBondContact O-N 3.01Å; T138-S141 PolarHBondContact O-N 2.8Å; T138-V142 VanDerWaalsContact O-CG2 3.29Å; T138-V142 WeakPolarHBondContact O-CG2 3.16Å; T138-V142 PolarHBondContact O-N 3.09Å |
| 139 | R | 85.7 | Confident | 82.3 | Confident | 123 Ų | 123 | 53.4 Ų | 53.4 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 173.1 | -74.6 | 169.7 | 60.8 | 172.9 | 1.8 | 111.7 | T135 K136 S141 V142 F143 Y374 L378 | T135-R139 WeakPolarHBondContact O-CB 2.83Å; T135-R139 WeakPolarHBondContact O-CG 3.32Å; T135-R139 PolarHBondContact O-N 3.26Å; K136-R139 PolarHBondContact O-N 2.81Å; R139-S141 VanDerWaalsContact C-N 3.33Å; R139-S141 PolarHBondContact O-N 2.9Å; R139-V142 PolarHBondContact O-N 3.37Å; R139-F143 WeakPolarHBondContact O-CD2 3.08Å; R139-F143 PolarHBondContact O-N 3.32Å; R139-Y374 PolarHBondContact NH2-OH 3.5Å; R139-L378 HydrophobicContact CB-CD1 3.95Å |
| 140 | G | 90.5 | Very high | 83 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K136 K137 T138 F143 F144 A375 | K136-G140 PolarHBondContact O-N 3.4Å; K137-G140 PolarHBondContact O-N 2.8Å; T138-G140 PolarHBondContact O-N 3.01Å; G140-F143 PolarHBondContact O-N 2.7Å; G140-F144 WeakPolarHBondContact O-CB 3.33Å; G140-F144 PolarHBondContact O-N 3.39Å; G140-A375 WeakPolarHBondContact O-CB 3.36Å |
| 141 | S | 89.7 | Confident | 83.9 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 174.8 | -168 | 0 | 0 | 0 | 0 | 112.4 | A124 T127 K137 T138 R139 F144 V145 | A124-S141 PolarHBondContact O-OG 2.82Å; A124-S141 VanDerWaalsContact O-OG 3.1Å; T127-S141 VanDerWaalsContact OG1-CB 3.3Å; T127-S141 WeakPolarHBondContact OG1-CB 3.5Å; T127-S141 PolarHBondContact OG1-OG 3.35Å; K137-S141 WeakPolarHBondContact O-CB 3.04Å; K137-S141 PolarHBondContact O-N 3.49Å; T138-S141 PolarHBondContact O-N 2.8Å; R139-S141 VanDerWaalsContact C-N 3.33Å; R139-S141 PolarHBondContact O-N 2.9Å; S141-F144 WeakPolarHBondContact O-CB 3.5Å; S141-F144 PolarHBondContact O-N 2.89Å; S141-V145 WeakPolarHBondContact O-CG2 3.11Å; S141-V145 PolarHBondContact O-N 3.38Å |
| 142 | V | 90.4 | Very high | 84.7 | Confident | 76 Ų | 76 | 47.2 Ų | 47.2 | 46% | 0.461 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -45.9 | 176.1 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | T138 R139 F144 V145 I146 | T138-V142 VanDerWaalsContact O-CG2 3.29Å; T138-V142 WeakPolarHBondContact O-CG2 3.16Å; T138-V142 PolarHBondContact O-N 3.09Å; R139-V142 PolarHBondContact O-N 3.37Å; V142-F144 VanDerWaalsContact C-N 3.31Å; V142-F144 PolarHBondContact O-N 2.85Å; V142-V145 PolarHBondContact O-N 3.33Å; V142-I146 HydrophobicContact CG1-CD1 3.68Å; V142-I146 HydrophobicContact CG1-CG1 4.33Å; V142-I146 WeakPolarHBondContact O-CB 3.32Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.43Å; V142-I146 PolarHBondContact O-N 3.36Å |
| 143 | F | 94.1 | Very high | 85.4 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -33.6 | 175.5 | -83.2 | -73.4 | 0 | 0 | 0 | 112.8 | R139 G140 G147 C371 Y374 A375 L378 | R139-F143 WeakPolarHBondContact O-CD2 3.08Å; R139-F143 PolarHBondContact O-N 3.32Å; G140-F143 PolarHBondContact O-N 2.7Å; F143-G147 PolarHBondContact O-N 2.84Å; F143-C371 HydrophobicContact CD1-CB 4.46Å; F143-C371 WeakPolarHBondContact O-CB 3.47Å; F143-Y374 HydrophobicContact CB-CD1 4.41Å; F143-Y374 HydrophobicContact CD1-CD1 4.12Å; F143-Y374 AromaticContact CD2-CD1 3.64Å; F143-Y374 HydrophobicContact CD2-CD1 3.64Å; F143-Y374 AromaticContact CD2-CE1 3.68Å; F143-Y374 HydrophobicContact CD2-CE1 3.68Å; F143-Y374 HydrophobicContact CE1-CD1 4.31Å; F143-Y374 AromaticContact CE2-CD1 3.89Å; F143-Y374 HydrophobicContact CE2-CD1 3.89Å; F143-Y374 AromaticContact CE2-CE1 3.57Å; F143-Y374 HydrophobicContact CE2-CE1 3.57Å; F143-Y374 AromaticContact CG-CD1 3.79Å; F143-Y374 HydrophobicContact CG-CD1 3.79Å; F143-Y374 HydrophobicContact CG-CE1 4.3Å; F143-Y374 HydrophobicContact CZ-CD1 4.21Å; F143-Y374 HydrophobicContact CZ-CE1 4.06Å; F143-A375 HydrophobicContact CB-CB 4.1Å; F143-L378 HydrophobicContact CD2-CD1 4.46Å |
| 144 | F | 94.2 | Very high | 86.3 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 173.2 | -174.9 | -97.3 | 0 | 0 | 0 | 110.9 | H116 I121 A124 G140 S141 V142 G147 V148 A375 | H116-F144 AromaticContact CE1-CE2 3.76Å; H116-F144 AromaticContact NE2-CE2 3.56Å; H116-F144 AromaticContact NE2-CZ 3.98Å; I121-F144 HydrophobicContact CD1-CE1 4.42Å; I121-F144 HydrophobicContact CD1-CE2 4.22Å; I121-F144 HydrophobicContact CD1-CZ 3.63Å; A124-F144 HydrophobicContact CB-CD1 4.1Å; A124-F144 HydrophobicContact CB-CG 4.3Å; G140-F144 WeakPolarHBondContact O-CB 3.33Å; G140-F144 PolarHBondContact O-N 3.39Å; S141-F144 WeakPolarHBondContact O-CB 3.5Å; S141-F144 PolarHBondContact O-N 2.89Å; V142-F144 VanDerWaalsContact C-N 3.31Å; V142-F144 PolarHBondContact O-N 2.85Å; F144-G147 PolarHBondContact O-N 3Å; F144-V148 HydrophobicContact CD1-CG2 4.44Å; F144-V148 HydrophobicContact CE1-CG2 4.11Å; F144-V148 HydrophobicContact CZ-CG2 4.36Å; F144-V148 WeakPolarHBondContact O-CG2 3.25Å; F144-V148 PolarHBondContact O-N 3.49Å; F144-A375 HydrophobicContact CB-CB 3.84Å; F144-A375 HydrophobicContact CD2-CB 4.49Å |
| 145 | V | 92 | Very high | 86.8 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.4 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | S141 V142 G147 V148 L149 | S141-V145 WeakPolarHBondContact O-CG2 3.11Å; S141-V145 PolarHBondContact O-N 3.38Å; V142-V145 PolarHBondContact O-N 3.33Å; V145-G147 VanDerWaalsContact C-N 3.32Å; V145-G147 PolarHBondContact O-N 3.38Å; V145-V148 PolarHBondContact O-N 3.21Å; V145-L149 HydrophobicContact CG1-CD1 3.8Å; V145-L149 HydrophobicContact CG1-CG 4.19Å; V145-L149 WeakPolarHBondContact O-CB 3.43Å; V145-L149 VanDerWaalsContact O-CG 3.29Å; V145-L149 WeakPolarHBondContact O-CG 3.33Å; V145-L149 PolarHBondContact O-N 2.83Å |
| 146 | I | 92.5 | Very high | 86.6 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 35% | 0.349 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 175.1 | -70.4 | 168.5 | 0 | 0 | 0 | 110.5 | V142 V148 L149 C150 | V142-I146 HydrophobicContact CG1-CD1 3.68Å; V142-I146 HydrophobicContact CG1-CG1 4.33Å; V142-I146 WeakPolarHBondContact O-CB 3.32Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.43Å; V142-I146 PolarHBondContact O-N 3.36Å; I146-V148 VanDerWaalsContact C-N 3.34Å; I146-V148 PolarHBondContact O-N 3.45Å; I146-L149 PolarHBondContact O-N 3.35Å; I146-C150 WeakPolarHBondContact O-CB 3.24Å; I146-C150 PolarHBondContact O-N 3.44Å; I146-C150 PolarHBondContact O-SG 3.02Å |
| 147 | G | 93.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F143 F144 V145 C150 L151 S368 | F143-G147 PolarHBondContact O-N 2.84Å; F144-G147 PolarHBondContact O-N 3Å; V145-G147 VanDerWaalsContact C-N 3.32Å; V145-G147 PolarHBondContact O-N 3.38Å; G147-C150 WeakPolarHBondContact O-CB 3.37Å; G147-C150 PolarHBondContact O-N 3.14Å; G147-L151 PolarHBondContact O-N 3.39Å; G147-S368 WeakPolarHBondContact O-CB 3.1Å; G147-S368 PolarHBondContact O-OG 3.42Å |
| 148 | V | 93 | Very high | 84.3 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | L113 F144 V145 I146 C150 L151 V152 I198 | L113-V148 HydrophobicContact CD2-CG2 4.05Å; F144-V148 HydrophobicContact CD1-CG2 4.44Å; F144-V148 HydrophobicContact CE1-CG2 4.11Å; F144-V148 HydrophobicContact CZ-CG2 4.36Å; F144-V148 WeakPolarHBondContact O-CG2 3.25Å; F144-V148 PolarHBondContact O-N 3.49Å; V145-V148 PolarHBondContact O-N 3.21Å; I146-V148 VanDerWaalsContact C-N 3.34Å; I146-V148 PolarHBondContact O-N 3.45Å; V148-C150 VanDerWaalsContact C-N 3.3Å; V148-C150 PolarHBondContact O-N 3.38Å; V148-L151 PolarHBondContact O-N 3.15Å; V148-L151 VanDerWaalsContact O-N 3.17Å; V148-V152 WeakPolarHBondContact O-CG2 3.4Å; V148-V152 PolarHBondContact O-N 3.21Å; V148-V152 VanDerWaalsContact O-N 3.07Å; V148-I198 HydrophobicContact CG1-CD1 3.3Å; V148-I198 HydrophobicContact CG1-CG1 3.99Å |
| 149 | L | 90 | Very high | 82.7 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 41% | 0.408 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -34.7 | 177.3 | -69.3 | 172.7 | 0 | 0 | 0 | 112.1 | V145 I146 L151 V152 F153 | V145-L149 HydrophobicContact CG1-CD1 3.8Å; V145-L149 HydrophobicContact CG1-CG 4.19Å; V145-L149 WeakPolarHBondContact O-CB 3.43Å; V145-L149 VanDerWaalsContact O-CG 3.29Å; V145-L149 WeakPolarHBondContact O-CG 3.33Å; V145-L149 PolarHBondContact O-N 2.83Å; I146-L149 PolarHBondContact O-N 3.35Å; L149-L151 VanDerWaalsContact C-N 3.3Å; L149-L151 PolarHBondContact O-N 3.29Å; L149-V152 PolarHBondContact O-N 3.34Å; L149-F153 HydrophobicContact CB-CD2 4.39Å; L149-F153 HydrophobicContact CD2-CD2 4.07Å; L149-F153 HydrophobicContact CD2-CE2 3.74Å; L149-F153 WeakPolarHBondContact O-CB 3.48Å; L149-F153 PolarHBondContact O-N 3.13Å |
| 150 | C | 89.6 | Confident | 80.3 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 10% | 0.101 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 173.8 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | I146 G147 V148 F154 D155 V367 | I146-C150 WeakPolarHBondContact O-CB 3.24Å; I146-C150 PolarHBondContact O-N 3.44Å; I146-C150 PolarHBondContact O-SG 3.02Å; G147-C150 WeakPolarHBondContact O-CB 3.37Å; G147-C150 PolarHBondContact O-N 3.14Å; V148-C150 VanDerWaalsContact C-N 3.3Å; V148-C150 PolarHBondContact O-N 3.38Å; C150-F154 CarbonylContact O-C 3.6Å; C150-F154 WeakPolarHBondContact O-CA 3.39Å; C150-F154 WeakPolarHBondContact O-CB 3.23Å; C150-F154 PolarHBondContact O-N 3.49Å; C150-D155 PolarHBondContact O-N 3.32Å; C150-V367 HydrophobicContact CB-CG1 4.37Å |
| 151 | L | 87.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.2 | -34.9 | 172.4 | -70.9 | 169.5 | 0 | 0 | 0 | 113.1 | L112 L113 G147 V148 L149 D155 V194 V365 S368 | L112-L151 HydrophobicContact CD2-CD1 3.8Å; L112-L151 HydrophobicContact CD2-CD2 4.1Å; L112-L151 HydrophobicContact CD2-CG 4.43Å; L112-L151 HydrophobicContact CG-CD1 4.19Å; L113-L151 HydrophobicContact CD1-CD1 3.93Å; L113-L151 HydrophobicContact CD2-CD1 3.65Å; L113-L151 HydrophobicContact CG-CD1 3.69Å; G147-L151 PolarHBondContact O-N 3.39Å; V148-L151 PolarHBondContact O-N 3.15Å; V148-L151 VanDerWaalsContact O-N 3.17Å; L149-L151 VanDerWaalsContact C-N 3.3Å; L149-L151 PolarHBondContact O-N 3.29Å; L151-D155 WeakPolarHBondContact O-CB 3.43Å; L151-V194 HydrophobicContact CB-CG1 4.47Å; L151-V365 HydrophobicContact CD2-CB 4.19Å; L151-V365 HydrophobicContact CD2-CG1 4.06Å; L151-V365 HydrophobicContact CD2-CG2 3.93Å; L151-S368 VanDerWaalsContact CD1-OG 3.22Å; L151-S368 WeakPolarHBondContact CD1-OG 3.2Å; L151-S368 VanDerWaalsContact CG-OG 3.25Å; L151-S368 WeakPolarHBondContact CG-OG 3.33Å |
| 152 | V | 84.2 | Confident | 75.2 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 21% | 0.212 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.4 | -44.7 | -179 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | V148 L149 K191 V194 I198 | V148-V152 WeakPolarHBondContact O-CG2 3.4Å; V148-V152 PolarHBondContact O-N 3.21Å; V148-V152 VanDerWaalsContact O-N 3.07Å; L149-V152 PolarHBondContact O-N 3.34Å; V152-K191 WeakPolarHBondContact O-CE 3.05Å; V152-V194 HydrophobicContact CG2-CG1 3.51Å; V152-I198 HydrophobicContact CG2-CD1 4.44Å |
| 153 | F | 82.3 | Confident | 72.5 | Confident | 127 Ų | 127 | 74.2 Ų | 74.2 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -101.1 | -36.2 | -169.2 | -71.4 | -71.7 | 0 | 0 | 0 | 114 | L149 H156 | L149-F153 HydrophobicContact CB-CD2 4.39Å; L149-F153 HydrophobicContact CD2-CD2 4.07Å; L149-F153 HydrophobicContact CD2-CE2 3.74Å; L149-F153 WeakPolarHBondContact O-CB 3.48Å; L149-F153 PolarHBondContact O-N 3.13Å; F153-H156 PolarHBondContact O-CE1 3.26Å; F153-H156 VanDerWaalsContact O-CE1 3.23Å |
| 154 | F | 80.9 | Confident | 69.5 | Low | 135 Ų | 135 | 79.5 Ų | 79.5 | 59% | 0.592 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -104 | 2.6 | -172.5 | -66.4 | -79.3 | 0 | 0 | 0 | 113.7 | C150 H156 S362 | C150-F154 CarbonylContact O-C 3.6Å; C150-F154 WeakPolarHBondContact O-CA 3.39Å; C150-F154 WeakPolarHBondContact O-CB 3.23Å; C150-F154 PolarHBondContact O-N 3.49Å; F154-H156 PolarHBondContact O-N 3.4Å; F154-H156 VanDerWaalsContact O-N 3.15Å; F154-S362 PolarHBondContact O-OG 3.12Å; F154-S362 VanDerWaalsContact O-OG 3.11Å |
| 155 | D | 78.9 | Confident | 66.8 | Low | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 43% | 0.434 | C | S | . | . | trans | -83.9 | 84.6 | 172.3 | -163.4 | 1.8 | 0 | 0 | 0 | 109.5 | R109 C150 L151 D157 H190 V365 | R109-D155 WeakPolarHBondContact CD-OD2 3.29Å; R109-D155 IonicContact CZ-OD1 2.69Å; R109-D155 IonicContact CZ-OD2 3.45Å; R109-D155 VanDerWaalsContact CZ-OD2 3.27Å; R109-D155 IonicContact NE-OD1 3.53Å; R109-D155 IonicContact NE-OD2 3.58Å; R109-D155 PolarHBondContact NE-OD2 3.14Å; R109-D155 IonicContact NH2-OD1 2.77Å; R109-D155 PolarHBondContact NH2-OD1 3.45Å; R109-D155 IonicContact NH2-OD2 2.8Å; R109-D155 PolarHBondContact NH2-OD2 3.34Å; C150-D155 PolarHBondContact O-N 3.32Å; L151-D155 WeakPolarHBondContact O-CB 3.43Å; D155-D157 PolarHBondContact O-N 3.49Å; D155-H190 PolarHBondContact O-CE1 3.09Å; D155-H190 VanDerWaalsContact O-CE1 3.32Å; D155-H190 PolarHBondContact O-NE2 3.25Å; D155-H190 IonicContact OD2-CD2 3.3Å; D155-V365 HydrophobicContact CB-CG2 4.4Å; D155-V365 WeakPolarHBondContact OD1-CG2 3.47Å | ||
| 156 | H | 68.5 | Low | 64.1 | Low | 104 Ų | 104 | 87.5 Ų | 87.5 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | trans | -90.2 | 91 | 172.4 | -69.4 | 24 | 0 | 0 | 0 | 107.8 | F153 F154 Y158 S362 | F153-H156 PolarHBondContact O-CE1 3.26Å; F153-H156 VanDerWaalsContact O-CE1 3.23Å; F154-H156 PolarHBondContact O-N 3.4Å; F154-H156 VanDerWaalsContact O-N 3.15Å; H156-Y158 HydrophobicContact CB-CE2 4.39Å; H156-Y158 PolarHBondContact O-N 3.19Å; H156-S362 PolarHBondContact N-OG 3.33Å | ||
| 157 | D | 60.8 | Low | 61.6 | Low | 21 Ų | 21 | 94.2 Ų | 94.2 | 11% | 0.112 | 48% | 0.475 | C | S | . | . | trans | -86.2 | 100.9 | 166.8 | -146.9 | -17.2 | 0 | 0 | 0 | 107 | R109 D155 S159 H359 Q360 | R109-D157 IonicContact CZ-OD2 3.47Å; R109-D157 IonicContact NH1-OD2 3.82Å; R109-D157 IonicContact NH2-OD2 2.73Å; R109-D157 PolarHBondContact NH2-OD2 2.86Å; D155-D157 PolarHBondContact O-N 3.49Å; D157-S159 PolarHBondContact O-N 2.86Å; D157-H359 WeakPolarHBondContact OD2-CA 3.18Å; D157-H359 WeakPolarHBondContact OD2-CB 3.31Å; D157-H359 IonicContact OD2-CE1 3.98Å; D157-H359 IonicContact OD2-CG 2.74Å; D157-H359 VanDerWaalsContact OD2-CG 3.29Å; D157-H359 IonicContact OD2-ND1 3.86Å; D157-H359 PolarHBondContact OD2-ND1 3.29Å; D157-Q360 PolarHBondContact OD1-N 3.4Å; D157-Q360 PolarHBondContact OD2-N 2.69Å | ||
| 158 | Y | 50.4 | Low | 58.8 | Low | 171 Ų | 171 | 96.7 Ų | 96.7 | 67% | 0.671 | 50% | 0.501 | S | S | * | . | trans | -71.2 | 86.2 | 171.7 | -68.9 | -84.1 | 0 | 0 | 0 | 107.6 | H156 H160 | H156-Y158 HydrophobicContact CB-CE2 4.39Å; H156-Y158 PolarHBondContact O-N 3.19Å; Y158-H160 PolarHBondContact O-N 3.29Å | ||
| 159 | S | 47.6 | Very low | 56.5 | Low | 83 Ų | 83 | 98.9 Ų | 98.9 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | trans | -64.1 | 105.1 | 165.2 | 50.4 | 0 | 0 | 0 | 0 | 107.5 | D157 G161 | D157-S159 PolarHBondContact O-N 2.86Å; S159-G161 PolarHBondContact O-N 3.48Å | ||
| 160 | H | 36.1 | Very low | 54.4 | Low | 194 Ų | 194 | 98 Ų | 98 | 90% | 0.898 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -66.8 | 40.4 | 174.8 | -98.4 | -61.1 | 0 | 0 | 0 | 113.3 | Y158 | Y158-H160 PolarHBondContact O-N 3.29Š|
| 161 | G | 37.7 | Very low | 52.5 | Low | 48 Ų | 48 | 102.8 Ų | 102.8 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | trans | -145.2 | 48.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S159 T163 | S159-G161 PolarHBondContact O-N 3.48Å; G161-T163 PolarHBondContact O-N 2.92Å | ||
| 162 | E | 34.9 | Very low | 50.8 | Low | 196 Ų | 196 | 105.1 Ų | 105.1 | 92% | 0.916 | 54% | 0.543 | S | S | * | . | trans | -69.2 | 69 | 152.9 | -73.3 | -172.7 | 173.4 | 0 | 0 | 108.3 | ||||
| 163 | T | 32.4 | Very low | 49.3 | Very low | 117 Ų | 117 | 111.8 Ų | 111.8 | 72% | 0.718 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -135.4 | 101.9 | 167.3 | 46.7 | 0 | 0 | 0 | 0 | 107.3 | G161 | G161-T163 PolarHBondContact O-N 2.92Š|
| 164 | E | 32.8 | Very low | 47.8 | Very low | 177 Ų | 177 | 111.6 Ų | 111.6 | 83% | 0.827 | 57% | 0.574 | S | S | * | * | trans | 55 | 103.5 | 157.2 | -64.3 | 179 | 161.2 | 0 | 0 | 116.4 | P166 | E164-P166 WeakPolarHBondContact O-CD 3.45Š| ||
| 165 | H | 36.9 | Very low | 46.3 | Very low | 161 Ų | 161 | 106.6 Ų | 106.6 | 75% | 0.745 | 55% | 0.553 | S | S | * | * | trans | -42.4 | 106.9 | 163 | -60.6 | -78.6 | 0 | 0 | 0 | 111.6 | ||||
| 166 | P | 34.8 | Very low | 45.4 | Very low | 88 Ų | 88 | 111 Ų | 111 | 57% | 0.571 | 57% | 0.573 | S | S | * | * | trans | -91.1 | 126.3 | 165.9 | 13.6 | 6.9 | 0 | 0 | 0 | 106.5 | E164 G168 | E164-P166 WeakPolarHBondContact O-CD 3.45Å; P166-G168 PolarHBondContact O-N 3.39Å | ||
| 167 | E | 40.1 | Very low | 44.7 | Very low | 208 Ų | 208 | 111.9 Ų | 111.9 | 97% | 0.972 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 40.4 | -179.8 | -54.5 | -175.4 | 173.1 | 0 | 0 | 114.4 | ||
| 168 | G | 36.2 | Very low | 44.4 | Very low | 52 Ų | 52 | 113.9 Ų | 113.9 | 54% | 0.536 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141.1 | 2.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | P166 H170 | P166-G168 PolarHBondContact O-N 3.39Å; G168-H170 VanDerWaalsContact C-N 3.31Å; G168-H170 PolarHBondContact O-N 2.76Å |
| 169 | V | 42.6 | Very low | 44.6 | Very low | 66 Ų | 66 | 108 Ų | 108 | 40% | 0.4 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -74.8 | -17.6 | -178.2 | -179.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 170 | H | 47.2 | Very low | 45.1 | Very low | 61 Ų | 61 | 107.9 Ų | 107.9 | 28% | 0.282 | 56% | 0.555 | S | S | . | * | trans | -109.3 | 101.8 | -167.2 | -50.4 | -50.2 | 0 | 0 | 0 | 113 | G168 S172 I175 Y179 | G168-H170 VanDerWaalsContact C-N 3.31Å; G168-H170 PolarHBondContact O-N 2.76Å; H170-S172 PolarHBondContact O-N 3.43Å; H170-I175 HydrophobicContact CB-CB 4.18Å; H170-I175 HydrophobicContact CB-CG2 3.92Å; H170-I175 WeakPolarHBondContact ND1-CG2 3.05Å; H170-Y179 AromaticContact NE2-CD1 3.68Å; H170-Y179 AromaticContact NE2-CE1 3.92Å; H170-Y179 AromaticContact NE2-CG 3.81Å | ||
| 171 | K | 49.3 | Very low | 46 | Very low | 115 Ų | 115 | 103 Ų | 103 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -69.2 | -8.7 | 173.5 | -69.5 | -176.2 | -175.3 | 172.5 | 0 | 113.9 | S47 N48 | S47-K171 VanDerWaalsContact C-NZ 3.31Å; S47-K171 PolarHBondContact O-NZ 3.13Å; N48-K171 HydrophobicContact CB-CD 4.27Å |
| 172 | S | 53.1 | Low | 46.9 | Very low | 48 Ų | 48 | 103 Ų | 103 | 34% | 0.336 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -133.9 | 136.7 | -172.8 | -178.3 | 0 | 0 | 0 | 0 | 113 | H170 L174 I175 | H170-S172 PolarHBondContact O-N 3.43Å; S172-L174 VanDerWaalsContact C-N 3.32Å; S172-L174 PolarHBondContact O-N 3.28Å; S172-I175 VanDerWaalsContact O-CB 3.31Å; S172-I175 WeakPolarHBondContact O-CB 3.48Å; S172-I175 PolarHBondContact O-N 3.31Å; S172-I175 VanDerWaalsContact O-N 3.12Å |
| 173 | F | 52.3 | Low | 47.9 | Very low | 175 Ų | 175 | 96.3 Ų | 96.3 | 77% | 0.768 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.7 | -36.5 | -179.4 | 178.2 | -97.6 | 0 | 0 | 0 | 113.6 | I175 H176 | F173-I175 PolarHBondContact O-N 3.37Å; F173-H176 PolarHBondContact O-N 3.3Å |
| 174 | L | 49.6 | Very low | 48.8 | Very low | 123 Ų | 123 | 97.1 Ų | 97.1 | 64% | 0.644 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -32.8 | 178.3 | -152.9 | 161.5 | 0 | 0 | 0 | 110.8 | S172 L178 | S172-L174 VanDerWaalsContact C-N 3.32Å; S172-L174 PolarHBondContact O-N 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.11Å; L174-L178 PolarHBondContact O-N 3.04Å |
| 175 | I | 51.2 | Low | 50 | Low | 31 Ų | 31 | 95.6 Ų | 95.6 | 16% | 0.159 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -70.6 | -43.1 | -179.6 | -57.8 | 170.5 | 0 | 0 | 0 | 111 | E100 H170 S172 F173 H177 L178 Y179 | E100-I175 WeakPolarHBondContact OE2-CD1 3.46Å; H170-I175 HydrophobicContact CB-CB 4.18Å; H170-I175 HydrophobicContact CB-CG2 3.92Å; H170-I175 WeakPolarHBondContact ND1-CG2 3.05Å; S172-I175 VanDerWaalsContact O-CB 3.31Å; S172-I175 WeakPolarHBondContact O-CB 3.48Å; S172-I175 PolarHBondContact O-N 3.31Å; S172-I175 VanDerWaalsContact O-N 3.12Å; F173-I175 PolarHBondContact O-N 3.37Å; I175-H177 VanDerWaalsContact C-N 3.26Å; I175-H177 PolarHBondContact O-N 3.14Å; I175-L178 PolarHBondContact O-N 3.33Å; I175-Y179 WeakPolarHBondContact O-CA 3.28Å; I175-Y179 WeakPolarHBondContact O-CB 3.39Å; I175-Y179 PolarHBondContact O-N 3.12Å |
| 176 | H | 58.4 | Low | 50.9 | Low | 92 Ų | 92 | 91.1 Ų | 91.1 | 43% | 0.426 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 179.1 | -174.2 | 59.4 | 0 | 0 | 0 | 110.9 | F173 E180 | F173-H176 PolarHBondContact O-N 3.3Å; H176-E180 IonicContact CD2-OE1 3.96Å; H176-E180 IonicContact CD2-OE2 3.01Å; H176-E180 IonicContact CE1-OE1 3.46Å; H176-E180 PolarHBondContact CE1-OE1 2.89Å; H176-E180 VanDerWaalsContact CE1-OE1 3.3Å; H176-E180 IonicContact NE2-OE1 2.83Å; H176-E180 PolarHBondContact NE2-OE1 3.38Å; H176-E180 VanDerWaalsContact NE2-OE1 3.17Å; H176-E180 IonicContact NE2-OE2 3.45Å; H176-E180 VanDerWaalsContact O-CB 3.27Å; H176-E180 WeakPolarHBondContact O-CB 3Å; H176-E180 VanDerWaalsContact O-CG 3.26Å; H176-E180 WeakPolarHBondContact O-CG 3.33Å; H176-E180 PolarHBondContact O-N 3.27Å |
| 177 | H | 54.2 | Low | 52.2 | Low | 123 Ų | 123 | 90 Ų | 90 | 57% | 0.569 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71 | -41.1 | 178.7 | -119.8 | 54.6 | 0 | 0 | 0 | 113.9 | I175 Y179 E180 L181 | I175-H177 VanDerWaalsContact C-N 3.26Å; I175-H177 PolarHBondContact O-N 3.14Å; H177-Y179 VanDerWaalsContact C-N 3.34Å; H177-E180 IonicContact ND1-OE2 2.61Å; H177-L181 VanDerWaalsContact O-CB 3.26Å; H177-L181 WeakPolarHBondContact O-CB 3.36Å; H177-L181 PolarHBondContact O-N 3.2Å; H177-L181 VanDerWaalsContact O-N 3.07Å |
| 178 | L | 54.1 | Low | 53.7 | Low | 62 Ų | 62 | 82 Ų | 82 | 33% | 0.325 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 176.8 | -164 | 95.4 | 0 | 0 | 0 | 110.7 | L174 I175 L181 F182 V192 V196 | L174-L178 WeakPolarHBondContact O-CB 3.11Å; L174-L178 PolarHBondContact O-N 3.04Å; I175-L178 PolarHBondContact O-N 3.33Å; L178-L181 PolarHBondContact O-N 3.49Å; L178-F182 HydrophobicContact CD1-CE2 3.93Å; L178-F182 HydrophobicContact CD2-CD2 4.21Å; L178-F182 HydrophobicContact CD2-CE2 4.05Å; L178-F182 HydrophobicContact CG-CD2 3.82Å; L178-F182 HydrophobicContact CG-CE2 3.66Å; L178-F182 WeakPolarHBondContact O-CD2 3.34Å; L178-F182 PolarHBondContact O-N 3.25Å; L178-V192 HydrophobicContact CD2-CG1 3.89Å; L178-V196 HydrophobicContact CD2-CG2 4.12Å |
| 179 | Y | 55.3 | Low | 55.3 | Low | 47 Ų | 47 | 82.2 Ų | 82.2 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70.1 | -48.3 | -179.6 | -175.1 | -99.7 | 0 | 0 | 0 | 112 | H170 I175 H177 L181 F182 V183 D189 | H170-Y179 AromaticContact NE2-CD1 3.68Å; H170-Y179 AromaticContact NE2-CE1 3.92Å; H170-Y179 AromaticContact NE2-CG 3.81Å; I175-Y179 WeakPolarHBondContact O-CA 3.28Å; I175-Y179 WeakPolarHBondContact O-CB 3.39Å; I175-Y179 PolarHBondContact O-N 3.12Å; H177-Y179 VanDerWaalsContact C-N 3.34Å; Y179-L181 PolarHBondContact O-N 3.09Å; Y179-F182 PolarHBondContact O-N 2.95Å; Y179-F182 VanDerWaalsContact O-N 3.11Å; Y179-V183 HydrophobicContact CD1-CG2 3.85Å; Y179-V183 HydrophobicContact CD2-CG2 3.95Å; Y179-V183 HydrophobicContact CE1-CB 4.36Å; Y179-V183 HydrophobicContact CE1-CG2 3.44Å; Y179-V183 VanDerWaalsContact CE1-CG2 3.44Å; Y179-V183 HydrophobicContact CE2-CG2 3.55Å; Y179-V183 HydrophobicContact CG-CG2 4.1Å; Y179-V183 WeakPolarHBondContact O-CB 3.46Å; Y179-V183 WeakPolarHBondContact O-CG2 3.31Å; Y179-V183 PolarHBondContact O-N 2.96Å; Y179-D189 WeakPolarHBondContact CE2-OD1 3.33Å |
| 180 | E | 58.7 | Low | 57.1 | Low | 82 Ų | 82 | 79.7 Ų | 79.7 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -54.1 | -44.7 | 172 | -80.2 | -176.2 | 146.7 | 0 | 0 | 110.5 | H176 H177 F182 N184 | H176-E180 IonicContact CD2-OE1 3.96Å; H176-E180 IonicContact CD2-OE2 3.01Å; H176-E180 IonicContact CE1-OE1 3.46Å; H176-E180 PolarHBondContact CE1-OE1 2.89Å; H176-E180 VanDerWaalsContact CE1-OE1 3.3Å; H176-E180 IonicContact NE2-OE1 2.83Å; H176-E180 PolarHBondContact NE2-OE1 3.38Å; H176-E180 VanDerWaalsContact NE2-OE1 3.17Å; H176-E180 IonicContact NE2-OE2 3.45Å; H176-E180 VanDerWaalsContact O-CB 3.27Å; H176-E180 WeakPolarHBondContact O-CB 3Å; H176-E180 VanDerWaalsContact O-CG 3.26Å; H176-E180 WeakPolarHBondContact O-CG 3.33Å; H176-E180 PolarHBondContact O-N 3.27Å; H177-E180 IonicContact ND1-OE2 2.61Å; E180-F182 PolarHBondContact O-N 3.47Å; E180-N184 VanDerWaalsContact O-CB 3.23Å; E180-N184 WeakPolarHBondContact O-CB 3.42Å; E180-N184 PolarHBondContact O-N 3.35Å; E180-N184 VanDerWaalsContact O-N 3.1Å; E180-N184 PolarHBondContact O-ND2 3.4Å; E180-N184 PolarHBondContact O-OD1 3.23Å |
| 181 | L | 54.1 | Low | 58.7 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 177.7 | -170.5 | 150.2 | 0 | 0 | 0 | 111.9 | H177 L178 Y179 F185 | H177-L181 VanDerWaalsContact O-CB 3.26Å; H177-L181 WeakPolarHBondContact O-CB 3.36Å; H177-L181 PolarHBondContact O-N 3.2Å; H177-L181 VanDerWaalsContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 3.49Å; Y179-L181 PolarHBondContact O-N 3.09Å; L181-F185 HydrophobicContact CD2-CD2 4.26Å; L181-F185 HydrophobicContact CD2-CE2 4Å; L181-F185 WeakPolarHBondContact O-CD2 3.27Å |
| 182 | F | 57.6 | Low | 60.2 | Low | 49 Ų | 49 | 74 Ų | 74 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -85.4 | -30.5 | -175.2 | -75.3 | -60.7 | 0 | 0 | 0 | 115.5 | L178 Y179 E180 N184 F185 G186 L187 V192 | L178-F182 HydrophobicContact CD1-CE2 3.93Å; L178-F182 HydrophobicContact CD2-CD2 4.21Å; L178-F182 HydrophobicContact CD2-CE2 4.05Å; L178-F182 HydrophobicContact CG-CD2 3.82Å; L178-F182 HydrophobicContact CG-CE2 3.66Å; L178-F182 WeakPolarHBondContact O-CD2 3.34Å; L178-F182 PolarHBondContact O-N 3.25Å; Y179-F182 PolarHBondContact O-N 2.95Å; Y179-F182 VanDerWaalsContact O-N 3.11Å; E180-F182 PolarHBondContact O-N 3.47Å; F182-N184 VanDerWaalsContact C-N 3.31Å; F182-F185 CarbonylContact O-C 3.59Å; F182-F185 WeakPolarHBondContact O-CA 3.49Å; F182-F185 WeakPolarHBondContact O-CB 3.4Å; F182-F185 PolarHBondContact O-N 3.25Å; F182-G186 PolarHBondContact O-N 3.22Å; F182-L187 HydrophobicContact CD1-CD1 3.7Å; F182-L187 HydrophobicContact CE1-CD1 4.3Å; F182-L187 PolarHBondContact O-N 3.43Å; F182-V192 HydrophobicContact CB-CG2 3.52Å; F182-V192 HydrophobicContact CD1-CG2 4.48Å; F182-V192 HydrophobicContact CD2-CB 4.4Å; F182-V192 HydrophobicContact CD2-CG1 3.55Å; F182-V192 HydrophobicContact CD2-CG2 3.98Å; F182-V192 HydrophobicContact CE2-CG1 3.96Å; F182-V192 HydrophobicContact CG-CG1 4.22Å; F182-V192 HydrophobicContact CG-CG2 3.77Å |
| 183 | V | 55.6 | Low | 61.8 | Low | 54 Ų | 54 | 71.7 Ų | 71.7 | 33% | 0.327 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.1 | -33.3 | 171.1 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | Y179 F185 G186 | Y179-V183 HydrophobicContact CD1-CG2 3.85Å; Y179-V183 HydrophobicContact CD2-CG2 3.95Å; Y179-V183 HydrophobicContact CE1-CB 4.36Å; Y179-V183 HydrophobicContact CE1-CG2 3.44Å; Y179-V183 VanDerWaalsContact CE1-CG2 3.44Å; Y179-V183 HydrophobicContact CE2-CG2 3.55Å; Y179-V183 HydrophobicContact CG-CG2 4.1Å; Y179-V183 WeakPolarHBondContact O-CB 3.46Å; Y179-V183 WeakPolarHBondContact O-CG2 3.31Å; Y179-V183 PolarHBondContact O-N 2.96Å; V183-F185 PolarHBondContact O-N 2.96Å; V183-F185 VanDerWaalsContact O-N 3.11Å; V183-G186 PolarHBondContact O-N 3.25Å |
| 184 | N | 51.4 | Low | 63.6 | Low | 134 Ų | 134 | 63.4 Ų | 63.4 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.7 | 168.6 | -71.5 | -16.5 | 0 | 0 | 0 | 112.5 | E180 F182 | E180-N184 VanDerWaalsContact O-CB 3.23Å; E180-N184 WeakPolarHBondContact O-CB 3.42Å; E180-N184 PolarHBondContact O-N 3.35Å; E180-N184 VanDerWaalsContact O-N 3.1Å; E180-N184 PolarHBondContact O-ND2 3.4Å; E180-N184 PolarHBondContact O-OD1 3.23Å; F182-N184 VanDerWaalsContact C-N 3.31Å |
| 185 | F | 57.8 | Low | 65.4 | Low | 146 Ų | 146 | 59.7 Ų | 59.7 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 1.2 | 171.3 | -73.1 | -71.9 | 0 | 0 | 0 | 114.3 | L181 F182 V183 L187 | L181-F185 HydrophobicContact CD2-CD2 4.26Å; L181-F185 HydrophobicContact CD2-CE2 4Å; L181-F185 WeakPolarHBondContact O-CD2 3.27Å; F182-F185 CarbonylContact O-C 3.59Å; F182-F185 WeakPolarHBondContact O-CA 3.49Å; F182-F185 WeakPolarHBondContact O-CB 3.4Å; F182-F185 PolarHBondContact O-N 3.25Å; V183-F185 PolarHBondContact O-N 2.96Å; V183-F185 VanDerWaalsContact O-N 3.11Å; F185-L187 VanDerWaalsContact C-N 3.33Å; F185-L187 HydrophobicContact CB-CG 4.35Å; F185-L187 PolarHBondContact O-N 3.38Å |
| 186 | G | 55.3 | Low | 67.2 | Low | 66 Ų | 66 | 58.8 Ų | 58.8 | 68% | 0.68 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 23.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F182 V183 | F182-G186 PolarHBondContact O-N 3.22Å; V183-G186 PolarHBondContact O-N 3.25Å |
| 187 | L | 63.3 | Low | 68.9 | Low | 64 Ų | 64 | 54.4 Ų | 54.4 | 34% | 0.335 | 30% | 0.296 | S | S | . | . | trans | -85.1 | 134.1 | 177.2 | -63.5 | -179.5 | 0 | 0 | 0 | 111.2 | F182 F185 K191 V192 | F182-L187 HydrophobicContact CD1-CD1 3.7Å; F182-L187 HydrophobicContact CE1-CD1 4.3Å; F182-L187 PolarHBondContact O-N 3.43Å; F185-L187 VanDerWaalsContact C-N 3.33Å; F185-L187 HydrophobicContact CB-CG 4.35Å; F185-L187 PolarHBondContact O-N 3.38Å; L187-K191 HydrophobicContact CD2-CD 4.32Å; L187-V192 HydrophobicContact CB-CG2 4.21Å | ||
| 188 | S | 70.6 | Confident | 70.7 | Confident | 42 Ų | 42 | 50.8 Ų | 50.8 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | trans | -69.2 | 149.9 | 172.8 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | H190 K191 V192 | S188-H190 PolarHBondContact O-N 3.26Å; S188-H190 VanDerWaalsContact O-N 3.1Å; S188-H190 PolarHBondContact OG-CE1 3.46Å; S188-H190 PolarHBondContact OG-ND1 2.99Å; S188-K191 WeakPolarHBondContact O-CB 3.28Å; S188-K191 PolarHBondContact O-N 2.81Å; S188-K191 WeakPolarHBondContact OG-CD 3.36Å; S188-K191 WeakPolarHBondContact OG-CG 3.46Å; S188-V192 PolarHBondContact O-N 2.86Å | ||
| 189 | D | 70.4 | Confident | 72.4 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -49.1 | -42.9 | -176.2 | -60.3 | 10.5 | 0 | 0 | 0 | 113.2 | L104 Y179 K191 V192 G193 | L104-D189 HydrophobicContact CD2-CB 4.43Å; Y179-D189 WeakPolarHBondContact CE2-OD1 3.33Å; D189-K191 VanDerWaalsContact C-N 3.33Å; D189-K191 PolarHBondContact O-N 2.55Å; D189-V192 WeakPolarHBondContact O-CB 3.26Å; D189-V192 PolarHBondContact O-N 3.05Å; D189-G193 PolarHBondContact O-N 2.93Å |
| 190 | H | 78.8 | Confident | 74.3 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -32.3 | 179.7 | 79.9 | -94.6 | 0 | 0 | 0 | 113 | L104 C105 D155 S188 G193 V194 | L104-H190 WeakPolarHBondContact O-CA 3.33Å; C105-H190 HydrophobicContact CB-CB 4.38Å; D155-H190 PolarHBondContact O-CE1 3.09Å; D155-H190 VanDerWaalsContact O-CE1 3.32Å; D155-H190 PolarHBondContact O-NE2 3.25Å; D155-H190 IonicContact OD2-CD2 3.3Å; S188-H190 PolarHBondContact O-N 3.26Å; S188-H190 VanDerWaalsContact O-N 3.1Å; S188-H190 PolarHBondContact OG-CE1 3.46Å; S188-H190 PolarHBondContact OG-ND1 2.99Å; H190-G193 PolarHBondContact O-N 3.05Å; H190-V194 VanDerWaalsContact O-CG2 3.31Å; H190-V194 WeakPolarHBondContact O-CG2 3.4Å; H190-V194 PolarHBondContact O-N 3.49Å |
| 191 | K | 81.3 | Confident | 75.9 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 22% | 0.222 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 177.9 | -69 | 178 | -176.6 | 174.6 | 0 | 110.5 | V152 L187 S188 D189 G193 V194 A195 | V152-K191 WeakPolarHBondContact O-CE 3.05Å; L187-K191 HydrophobicContact CD2-CD 4.32Å; S188-K191 WeakPolarHBondContact O-CB 3.28Å; S188-K191 PolarHBondContact O-N 2.81Å; S188-K191 WeakPolarHBondContact OG-CD 3.36Å; S188-K191 WeakPolarHBondContact OG-CG 3.46Å; D189-K191 VanDerWaalsContact C-N 3.33Å; D189-K191 PolarHBondContact O-N 2.55Å; K191-G193 VanDerWaalsContact C-N 3.34Å; K191-V194 PolarHBondContact O-N 3.15Å; K191-A195 PolarHBondContact O-N 3.45Å |
| 192 | V | 81.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 171.1 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | L104 L178 F182 L187 S188 D189 V194 A195 V196 | L104-V192 HydrophobicContact CD1-CG1 4.28Å; L178-V192 HydrophobicContact CD2-CG1 3.89Å; F182-V192 HydrophobicContact CB-CG2 3.52Å; F182-V192 HydrophobicContact CD1-CG2 4.48Å; F182-V192 HydrophobicContact CD2-CB 4.4Å; F182-V192 HydrophobicContact CD2-CG1 3.55Å; F182-V192 HydrophobicContact CD2-CG2 3.98Å; F182-V192 HydrophobicContact CE2-CG1 3.96Å; F182-V192 HydrophobicContact CG-CG1 4.22Å; F182-V192 HydrophobicContact CG-CG2 3.77Å; L187-V192 HydrophobicContact CB-CG2 4.21Å; S188-V192 PolarHBondContact O-N 2.86Å; D189-V192 WeakPolarHBondContact O-CB 3.26Å; D189-V192 PolarHBondContact O-N 3.05Å; V192-V194 PolarHBondContact O-N 3.37Å; V192-A195 PolarHBondContact O-N 3.37Å; V192-V196 HydrophobicContact CG1-CG2 4.44Å; V192-V196 WeakPolarHBondContact O-CG2 3.47Å; V192-V196 PolarHBondContact O-N 2.94Å |
| 193 | G | 86.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L104 D189 H190 K191 A195 V196 L197 | L104-G193 VanDerWaalsContact CB-CA 3.47Å; D189-G193 PolarHBondContact O-N 2.93Å; H190-G193 PolarHBondContact O-N 3.05Å; K191-G193 VanDerWaalsContact C-N 3.34Å; G193-A195 PolarHBondContact O-N 2.89Å; G193-V196 PolarHBondContact O-N 3.37Å; G193-L197 WeakPolarHBondContact O-CG 3.41Å; G193-L197 PolarHBondContact O-N 3.14Å |
| 194 | V | 89.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 175.6 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | C105 L113 L151 V152 H190 K191 V192 V196 L197 I198 | C105-V194 HydrophobicContact CB-CG2 4.41Å; L113-V194 HydrophobicContact CD1-CB 4.08Å; L113-V194 HydrophobicContact CD1-CG1 3.71Å; L113-V194 HydrophobicContact CD1-CG2 3.88Å; L151-V194 HydrophobicContact CB-CG1 4.47Å; V152-V194 HydrophobicContact CG2-CG1 3.51Å; H190-V194 VanDerWaalsContact O-CG2 3.31Å; H190-V194 WeakPolarHBondContact O-CG2 3.4Å; H190-V194 PolarHBondContact O-N 3.49Å; K191-V194 PolarHBondContact O-N 3.15Å; V192-V194 PolarHBondContact O-N 3.37Å; V194-V196 PolarHBondContact O-N 2.69Å; V194-L197 PolarHBondContact O-N 3.37Å; V194-I198 HydrophobicContact CG1-CD1 3.65Å; V194-I198 HydrophobicContact CG1-CG1 4.49Å; V194-I198 WeakPolarHBondContact O-CD1 3.46Å; V194-I198 VanDerWaalsContact O-CG1 3.26Å; V194-I198 WeakPolarHBondContact O-CG1 3.45Å; V194-I198 PolarHBondContact O-N 3.15Å |
| 195 | A | 87.5 | Confident | 83 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K191 V192 G193 L197 I198 S199 | K191-A195 PolarHBondContact O-N 3.45Å; V192-A195 PolarHBondContact O-N 3.37Å; G193-A195 PolarHBondContact O-N 2.89Å; A195-L197 PolarHBondContact O-N 3.02Å; A195-I198 PolarHBondContact O-N 3.36Å; A195-S199 PolarHBondContact O-N 2.9Å |
| 196 | V | 89.7 | Confident | 84.4 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | L97 L178 V192 G193 V194 S199 A200 | L97-V196 HydrophobicContact CB-CG1 4.22Å; L97-V196 HydrophobicContact CD2-CG1 4.12Å; L97-V196 WeakPolarHBondContact O-CG1 3.37Å; L178-V196 HydrophobicContact CD2-CG2 4.12Å; V192-V196 HydrophobicContact CG1-CG2 4.44Å; V192-V196 WeakPolarHBondContact O-CG2 3.47Å; V192-V196 PolarHBondContact O-N 2.94Å; G193-V196 PolarHBondContact O-N 3.37Å; V194-V196 PolarHBondContact O-N 2.69Å; V196-S199 PolarHBondContact O-N 2.97Å; V196-S199 PolarHBondContact O-OG 3.3Å; V196-A200 WeakPolarHBondContact O-CB 2.89Å; V196-A200 PolarHBondContact O-N 3.16Å |
| 197 | L | 93.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 179.2 | -70.9 | 179.7 | 0 | 0 | 0 | 113.8 | C105 F110 L113 F114 G193 V194 A195 S199 A200 V201 | C105-L197 WeakPolarHBondContact SG-CD1 3.42Å; F110-L197 HydrophobicContact CB-CD1 4.28Å; F110-L197 HydrophobicContact CD2-CD1 4.23Å; F110-L197 HydrophobicContact CD2-CD2 3.62Å; F110-L197 HydrophobicContact CE2-CD2 3.96Å; L113-L197 HydrophobicContact CB-CB 4.25Å; L113-L197 HydrophobicContact CB-CD1 4.32Å; L113-L197 HydrophobicContact CD1-CB 4.46Å; L113-L197 HydrophobicContact CD1-CD1 4.36Å; F114-L197 HydrophobicContact CB-CD2 4.2Å; F114-L197 HydrophobicContact CD2-CD2 4.49Å; G193-L197 WeakPolarHBondContact O-CG 3.41Å; G193-L197 PolarHBondContact O-N 3.14Å; V194-L197 PolarHBondContact O-N 3.37Å; A195-L197 PolarHBondContact O-N 3.02Å; L197-S199 VanDerWaalsContact C-N 3.26Å; L197-S199 PolarHBondContact O-N 2.67Å; L197-A200 PolarHBondContact O-N 3.18Å; L197-V201 WeakPolarHBondContact O-CG1 3.48Å; L197-V201 PolarHBondContact O-N 3.12Å |
| 198 | I | 92 | Very high | 87.2 | Confident | 46 Ų | 46 | 26.5 Ų | 26.5 | 24% | 0.236 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -40 | 175.5 | -64.8 | 156.3 | 0 | 0 | 0 | 109.9 | L113 V148 V152 V194 A195 V201 C202 | L113-I198 HydrophobicContact CD2-CG1 4.18Å; V148-I198 HydrophobicContact CG1-CD1 3.3Å; V148-I198 HydrophobicContact CG1-CG1 3.99Å; V152-I198 HydrophobicContact CG2-CD1 4.44Å; V194-I198 HydrophobicContact CG1-CD1 3.65Å; V194-I198 HydrophobicContact CG1-CG1 4.49Å; V194-I198 WeakPolarHBondContact O-CD1 3.46Å; V194-I198 VanDerWaalsContact O-CG1 3.26Å; V194-I198 WeakPolarHBondContact O-CG1 3.45Å; V194-I198 PolarHBondContact O-N 3.15Å; A195-I198 PolarHBondContact O-N 3.36Å; I198-V201 WeakPolarHBondContact O-CG1 3.44Å; I198-C202 WeakPolarHBondContact O-CB 3.39Å; I198-C202 PolarHBondContact O-N 3.1Å; I198-C202 VanDerWaalsContact O-N 3.15Å; I198-C202 PolarHBondContact O-SG 2.91Å |
| 199 | S | 90.9 | Very high | 87.8 | Confident | 48 Ų | 48 | 25.4 Ų | 25.4 | 34% | 0.336 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 175.2 | 81.1 | 0 | 0 | 0 | 0 | 111.5 | A195 V196 L197 C202 L203 | A195-S199 PolarHBondContact O-N 2.9Å; V196-S199 PolarHBondContact O-N 2.97Å; V196-S199 PolarHBondContact O-OG 3.3Å; L197-S199 VanDerWaalsContact C-N 3.26Å; L197-S199 PolarHBondContact O-N 2.67Å; S199-C202 PolarHBondContact O-N 3.31Å; S199-L203 WeakPolarHBondContact O-CB 3.25Å; S199-L203 VanDerWaalsContact O-CG 3.27Å; S199-L203 WeakPolarHBondContact O-CG 3.47Å; S199-L203 PolarHBondContact O-N 3.18Å |
| 200 | A | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L97 F114 V196 L197 L203 D204 | L97-A200 HydrophobicContact CB-CB 3.88Å; F114-A200 HydrophobicContact CD2-CB 4.12Å; F114-A200 HydrophobicContact CE2-CB 3.88Å; V196-A200 WeakPolarHBondContact O-CB 2.89Å; V196-A200 PolarHBondContact O-N 3.16Å; L197-A200 PolarHBondContact O-N 3.18Å; A200-L203 PolarHBondContact O-N 3.45Å; A200-D204 WeakPolarHBondContact O-CB 3.4Å; A200-D204 PolarHBondContact O-N 3.04Å |
| 201 | V | 93.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.2 | -36.4 | 179.9 | 76.6 | 0 | 0 | 0 | 0 | 111.9 | F114 H116 I121 L197 I198 A205 | F114-V201 HydrophobicContact CD2-CB 4.09Å; H116-V201 HydrophobicContact CB-CG2 4.25Å; I121-V201 HydrophobicContact CD1-CG1 4.36Å; I121-V201 HydrophobicContact CD1-CG2 4.03Å; I121-V201 HydrophobicContact CG1-CG2 3.99Å; L197-V201 WeakPolarHBondContact O-CG1 3.48Å; L197-V201 PolarHBondContact O-N 3.12Å; I198-V201 WeakPolarHBondContact O-CG1 3.44Å; V201-A205 WeakPolarHBondContact O-CB 3.49Å; V201-A205 PolarHBondContact O-N 3.06Å |
| 202 | C | 91.8 | Very high | 88.9 | Confident | 70 Ų | 70 | 29.8 Ų | 29.8 | 47% | 0.473 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 174.1 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | I198 S199 A205 G206 | I198-C202 WeakPolarHBondContact O-CB 3.39Å; I198-C202 PolarHBondContact O-N 3.1Å; I198-C202 VanDerWaalsContact O-N 3.15Å; I198-C202 PolarHBondContact O-SG 2.91Å; S199-C202 PolarHBondContact O-N 3.31Å; C202-A205 PolarHBondContact O-N 3.37Å; C202-G206 PolarHBondContact O-N 3.07Å |
| 203 | L | 93.3 | Very high | 89.1 | Confident | 90 Ų | 90 | 34.7 Ų | 34.7 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 176.7 | -74.1 | 172.3 | 0 | 0 | 0 | 111.9 | I94 L97 S199 A200 G206 L207 | I94-L203 HydrophobicContact CD1-CB 3.96Å; I94-L203 HydrophobicContact CG1-CB 3.9Å; L97-L203 HydrophobicContact CD1-CD1 3.96Å; S199-L203 WeakPolarHBondContact O-CB 3.25Å; S199-L203 VanDerWaalsContact O-CG 3.27Å; S199-L203 WeakPolarHBondContact O-CG 3.47Å; S199-L203 PolarHBondContact O-N 3.18Å; A200-L203 PolarHBondContact O-N 3.45Å; L203-G206 PolarHBondContact O-N 2.64Å; L203-L207 VanDerWaalsContact O-CB 3.32Å; L203-L207 WeakPolarHBondContact O-CB 3.39Å; L203-L207 PolarHBondContact O-N 3.31Å |
| 204 | D | 92.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.8 | -47 | 176.8 | -168.5 | 55.4 | 0 | 0 | 0 | 111.7 | R91 I94 A200 G206 L207 A208 M401 | R91-D204 IonicContact CZ-OD1 3.83Å; R91-D204 IonicContact NE-OD1 3.86Å; R91-D204 IonicContact NH1-OD1 3.94Å; R91-D204 PolarHBondContact NH1-OD1 3.03Å; I94-D204 HydrophobicContact CG2-CB 3.95Å; A200-D204 WeakPolarHBondContact O-CB 3.4Å; A200-D204 PolarHBondContact O-N 3.04Å; D204-G206 VanDerWaalsContact C-N 3.29Å; D204-G206 PolarHBondContact O-N 3.46Å; D204-L207 PolarHBondContact O-N 2.95Å; D204-A208 WeakPolarHBondContact O-CB 3.42Å; D204-A208 PolarHBondContact O-N 3.42Å; D204-M401 WeakPolarHBondContact OD1-CE 3.49Å; D204-M401 WeakPolarHBondContact OD2-CE 3.12Å |
| 205 | A | 89.1 | Confident | 89 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I121 L122 V201 C202 S209 | I121-A205 HydrophobicContact CB-CB 3.98Å; I121-A205 HydrophobicContact CG2-CB 3.61Å; L122-A205 HydrophobicContact CD2-CB 4.27Å; L122-A205 HydrophobicContact CG-CB 4.3Å; V201-A205 WeakPolarHBondContact O-CB 3.49Å; V201-A205 PolarHBondContact O-N 3.06Å; C202-A205 PolarHBondContact O-N 3.37Å; A205-S209 PolarHBondContact O-N 3.4Å; A205-S209 VanDerWaalsContact O-N 3.1Å |
| 206 | G | 88.1 | Confident | 88.9 | Confident | 26 Ų | 26 | 38 Ų | 38 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C202 L203 D204 A208 S209 I210 | C202-G206 PolarHBondContact O-N 3.07Å; L203-G206 PolarHBondContact O-N 2.64Å; D204-G206 VanDerWaalsContact C-N 3.29Å; D204-G206 PolarHBondContact O-N 3.46Å; G206-A208 VanDerWaalsContact C-N 3.33Å; G206-A208 PolarHBondContact O-N 3.16Å; G206-S209 CarbonylContact O-C 3.58Å; G206-S209 PolarHBondContact O-N 3.3Å; G206-S209 VanDerWaalsContact O-N 3.15Å; G206-I210 WeakPolarHBondContact O-CG1 3.46Å; G206-I210 PolarHBondContact O-N 3.11Å |
| 207 | L | 91.2 | Very high | 88.8 | Confident | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 178.2 | -178.9 | 64.5 | 0 | 0 | 0 | 111.3 | F87 V90 R91 I94 L203 D204 S209 I210 S211 | F87-L207 HydrophobicContact CD2-CD1 3.64Å; F87-L207 HydrophobicContact CD2-CD2 4.21Å; F87-L207 HydrophobicContact CD2-CG 3.95Å; F87-L207 HydrophobicContact CE2-CD1 3.95Å; F87-L207 HydrophobicContact CE2-CD2 3.9Å; F87-L207 HydrophobicContact CE2-CG 3.7Å; F87-L207 HydrophobicContact CZ-CD2 4.38Å; V90-L207 HydrophobicContact CB-CD1 4.25Å; V90-L207 HydrophobicContact CG1-CD1 4.02Å; V90-L207 HydrophobicContact CG1-CD2 4.2Å; R91-L207 HydrophobicContact CB-CD2 3.92Å; I94-L207 HydrophobicContact CD1-CB 4.12Å; I94-L207 HydrophobicContact CD1-CD2 3.77Å; L203-L207 VanDerWaalsContact O-CB 3.32Å; L203-L207 WeakPolarHBondContact O-CB 3.39Å; L203-L207 PolarHBondContact O-N 3.31Å; D204-L207 PolarHBondContact O-N 2.95Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 2.79Å; L207-I210 PolarHBondContact O-N 3.3Å; L207-S211 WeakPolarHBondContact O-CB 3.24Å; L207-S211 PolarHBondContact O-N 2.96Å; L207-S211 PolarHBondContact O-OG 2.93Å |
| 208 | A | 85.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E118 D204 G206 S211 | E118-A208 HydrophobicContact CG-CB 4.1Å; E118-A208 WeakPolarHBondContact OE1-CB 3.32Å; D204-A208 WeakPolarHBondContact O-CB 3.42Å; D204-A208 PolarHBondContact O-N 3.42Å; G206-A208 VanDerWaalsContact C-N 3.33Å; G206-A208 PolarHBondContact O-N 3.16Å; A208-S211 PolarHBondContact O-OG 3.2Å |
| 209 | S | 83 | Confident | 88.2 | Confident | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.7 | -35.6 | 176.3 | -168.8 | 0 | 0 | 0 | 0 | 113 | A205 G206 L207 R212 | A205-S209 PolarHBondContact O-N 3.4Å; A205-S209 VanDerWaalsContact O-N 3.1Å; G206-S209 CarbonylContact O-C 3.58Å; G206-S209 PolarHBondContact O-N 3.3Å; G206-S209 VanDerWaalsContact O-N 3.15Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 2.79Å; S209-R212 WeakPolarHBondContact O-CD 3.37Å; S209-R212 VanDerWaalsContact O-CG 3.25Å; S209-R212 WeakPolarHBondContact O-CG 3.44Å; S209-R212 PolarHBondContact O-NE 3.42Å; S209-R212 PolarHBondContact O-NH2 3.39Å; S209-R212 PolarHBondContact OG-NH2 3.3Å; S209-R212 VanDerWaalsContact OG-NH2 3.12Å |
| 210 | I | 86.1 | Confident | 87.9 | Confident | 135 Ų | 135 | 39.9 Ų | 39.9 | 69% | 0.692 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -79 | -33.3 | -179.6 | -66.5 | 166.8 | 0 | 0 | 0 | 111.4 | G206 L207 R212 | G206-I210 WeakPolarHBondContact O-CG1 3.46Å; G206-I210 PolarHBondContact O-N 3.11Å; L207-I210 PolarHBondContact O-N 3.3Å; I210-R212 PolarHBondContact O-N 3.06Å; I210-R212 VanDerWaalsContact O-N 3.1Å |
| 211 | S | 87.3 | Confident | 87.6 | Confident | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 3.6 | -175.6 | 61 | 0 | 0 | 0 | 0 | 115.3 | F87 L207 A208 T213 L214 V215 | F87-S211 VanDerWaalsContact CE2-CB 3.49Å; L207-S211 WeakPolarHBondContact O-CB 3.24Å; L207-S211 PolarHBondContact O-N 2.96Å; L207-S211 PolarHBondContact O-OG 2.93Å; A208-S211 PolarHBondContact O-OG 3.2Å; S211-T213 PolarHBondContact O-N 3Å; S211-L214 CarbonylContact O-C 3.54Å; S211-L214 WeakPolarHBondContact O-CA 3.34Å; S211-L214 WeakPolarHBondContact O-CB 3.41Å; S211-L214 PolarHBondContact O-N 3.17Å; S211-L214 VanDerWaalsContact O-N 3.13Å; S211-V215 WeakPolarHBondContact O-CG2 3.45Å; S211-V215 PolarHBondContact O-N 3.49Å |
| 212 | R | 81.5 | Confident | 87.4 | Confident | 65 Ų | 65 | 43.3 Ų | 43.3 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.3 | -50.7 | -177.8 | -67.1 | -178.7 | -76.4 | -166.7 | -12.4 | 114.1 | S209 I210 L214 V215 T216 Y399 | S209-R212 WeakPolarHBondContact O-CD 3.37Å; S209-R212 VanDerWaalsContact O-CG 3.25Å; S209-R212 WeakPolarHBondContact O-CG 3.44Å; S209-R212 PolarHBondContact O-NE 3.42Å; S209-R212 PolarHBondContact O-NH2 3.39Å; S209-R212 PolarHBondContact OG-NH2 3.3Å; S209-R212 VanDerWaalsContact OG-NH2 3.12Å; I210-R212 PolarHBondContact O-N 3.06Å; I210-R212 VanDerWaalsContact O-N 3.1Å; R212-L214 PolarHBondContact O-N 2.73Å; R212-V215 PolarHBondContact O-N 2.99Å; R212-T216 PolarHBondContact O-N 3.4Å; R212-T216 PolarHBondContact O-OG1 2.85Å; R212-Y399 HydrophobicContact CB-CD2 4.17Å; R212-Y399 HydrophobicContact CB-CE2 4.24Å; R212-Y399 VanDerWaalsContact CD-CE2 3.44Å; R212-Y399 HydrophobicContact CG-CD2 3.46Å; R212-Y399 VanDerWaalsContact CG-CD2 3.46Å; R212-Y399 HydrophobicContact CG-CE2 4.01Å; R212-Y399 HydrophobicContact CG-CG 3.8Å |
| 213 | T | 84.1 | Confident | 87.3 | Confident | 109 Ų | 109 | 41.3 Ų | 41.3 | 67% | 0.669 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.5 | -35 | 179.3 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | S211 T216 S217 | S211-T213 PolarHBondContact O-N 3Å; T213-T216 PolarHBondContact O-OG1 3.29Å; T213-T216 VanDerWaalsContact O-OG1 3.13Å; T213-S217 VanDerWaalsContact O-CB 3.31Å; T213-S217 WeakPolarHBondContact O-CB 3.32Å; T213-S217 PolarHBondContact O-N 3.37Å; T213-S217 VanDerWaalsContact O-N 3.07Å; T213-S217 PolarHBondContact O-OG 3.49Å |
| 214 | L | 88.3 | Confident | 87.3 | Confident | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.4 | -46.4 | 175.2 | -172.3 | 61.6 | 0 | 0 | 0 | 111.2 | H83 I84 F87 S211 R212 T216 S217 I218 L224 | H83-L214 HydrophobicContact CB-CD1 3.59Å; H83-L214 HydrophobicContact CB-CD2 4.16Å; H83-L214 HydrophobicContact CB-CG 4.47Å; I84-L214 HydrophobicContact CG1-CD1 4.24Å; I84-L214 HydrophobicContact CG1-CD2 4.43Å; F87-L214 HydrophobicContact CB-CD2 3.93Å; F87-L214 HydrophobicContact CG-CD2 4.32Å; S211-L214 CarbonylContact O-C 3.54Å; S211-L214 WeakPolarHBondContact O-CA 3.34Å; S211-L214 WeakPolarHBondContact O-CB 3.41Å; S211-L214 PolarHBondContact O-N 3.17Å; S211-L214 VanDerWaalsContact O-N 3.13Å; R212-L214 PolarHBondContact O-N 2.73Å; L214-T216 PolarHBondContact O-N 2.94Å; L214-S217 WeakPolarHBondContact CA-OG 3.47Å; L214-S217 PolarHBondContact O-N 3.35Å; L214-S217 PolarHBondContact O-OG 3.37Å; L214-I218 HydrophobicContact CD1-CD1 3.59Å; L214-I218 HydrophobicContact CD1-CG1 4.18Å; L214-I218 HydrophobicContact CD2-CD1 4.41Å; L214-I218 HydrophobicContact CG-CD1 3.61Å; L214-I218 WeakPolarHBondContact O-CB 3.37Å; L214-I218 VanDerWaalsContact O-CG1 3.3Å; L214-I218 WeakPolarHBondContact O-CG1 3.4Å; L214-I218 PolarHBondContact O-N 3.01Å; L214-L224 HydrophobicContact CD2-CD1 3.81Å; L214-L224 HydrophobicContact CD2-CD2 4.33Å; L214-L224 HydrophobicContact CG-CD1 4.16Å; L214-L224 HydrophobicContact CG-CD2 4.48Å |
| 215 | V | 87.5 | Confident | 87.2 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 9% | 0.085 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 177.8 | 166 | 0 | 0 | 0 | 0 | 111.6 | S211 R212 G219 G220 A221 L224 | S211-V215 WeakPolarHBondContact O-CG2 3.45Å; S211-V215 PolarHBondContact O-N 3.49Å; R212-V215 PolarHBondContact O-N 2.99Å; V215-G219 PolarHBondContact O-N 3.29Å; V215-G220 WeakPolarHBondContact O-CA 3.47Å; V215-G220 PolarHBondContact O-N 3.33Å; V215-A221 HydrophobicContact CG1-CB 3.94Å; V215-A221 HydrophobicContact CG2-CB 4.31Å; V215-L224 HydrophobicContact CG2-CD2 3.47Å; V215-L224 VanDerWaalsContact CG2-CD2 3.47Å |
| 216 | T | 85.4 | Confident | 87.4 | Confident | 88 Ų | 88 | 37.5 Ų | 37.5 | 54% | 0.54 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.6 | -40.9 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | R212 T213 L214 I218 G219 | R212-T216 PolarHBondContact O-N 3.4Å; R212-T216 PolarHBondContact O-OG1 2.85Å; T213-T216 PolarHBondContact O-OG1 3.29Å; T213-T216 VanDerWaalsContact O-OG1 3.13Å; L214-T216 PolarHBondContact O-N 2.94Å; T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 3.32Å; T216-G219 PolarHBondContact O-N 3.42Å |
| 217 | S | 86.6 | Confident | 87.7 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 38% | 0.378 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -37.2 | 178 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | T213 L214 G219 | T213-S217 VanDerWaalsContact O-CB 3.31Å; T213-S217 WeakPolarHBondContact O-CB 3.32Å; T213-S217 PolarHBondContact O-N 3.37Å; T213-S217 VanDerWaalsContact O-N 3.07Å; T213-S217 PolarHBondContact O-OG 3.49Å; L214-S217 WeakPolarHBondContact CA-OG 3.47Å; L214-S217 PolarHBondContact O-N 3.35Å; L214-S217 PolarHBondContact O-OG 3.37Å; S217-G219 VanDerWaalsContact C-N 3.3Å; S217-G219 PolarHBondContact O-N 2.92Å |
| 218 | I | 87.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.8 | -17.8 | 179.8 | -67 | 167.3 | 0 | 0 | 0 | 111.5 | L76 I84 L214 T216 R223 L224 L227 | L76-I218 HydrophobicContact CD2-CG1 4.14Å; I84-I218 HydrophobicContact CD1-CD1 3.62Å; I84-I218 HydrophobicContact CD1-CG1 4.27Å; I84-I218 HydrophobicContact CG1-CD1 3.5Å; L214-I218 HydrophobicContact CD1-CD1 3.59Å; L214-I218 HydrophobicContact CD1-CG1 4.18Å; L214-I218 HydrophobicContact CD2-CD1 4.41Å; L214-I218 HydrophobicContact CG-CD1 3.61Å; L214-I218 WeakPolarHBondContact O-CB 3.37Å; L214-I218 VanDerWaalsContact O-CG1 3.3Å; L214-I218 WeakPolarHBondContact O-CG1 3.4Å; L214-I218 PolarHBondContact O-N 3.01Å; T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 3.32Å; I218-R223 HydrophobicContact CG2-CB 4.03Å; I218-R223 HydrophobicContact CG2-CG 3.7Å; I218-R223 VanDerWaalsContact O-CD 3.32Å; I218-R223 WeakPolarHBondContact O-CD 3.27Å; I218-R223 PolarHBondContact O-NH1 2.96Å; I218-L224 HydrophobicContact CD1-CB 4.24Å; I218-L224 HydrophobicContact CD1-CD1 3.59Å; I218-L224 HydrophobicContact CD1-CG 4.42Å; I218-L227 HydrophobicContact CG2-CD1 4.25Å |
| 219 | G | 84.6 | Confident | 88.3 | Confident | 65 Ų | 65 | 35.7 Ų | 35.7 | 67% | 0.67 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | 26.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V215 T216 S217 | V215-G219 PolarHBondContact O-N 3.29Å; T216-G219 PolarHBondContact O-N 3.42Å; S217-G219 VanDerWaalsContact C-N 3.3Å; S217-G219 PolarHBondContact O-N 2.92Å |
| 220 | G | 85.7 | Confident | 88.8 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 26% | 0.258 | 22% | 0.217 | S | C | . | . | trans | 127.7 | 158.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V215 K222 R223 L224 | V215-G220 WeakPolarHBondContact O-CA 3.47Å; V215-G220 PolarHBondContact O-N 3.33Å; G220-K222 PolarHBondContact O-N 2.97Å; G220-R223 PolarHBondContact O-N 3.44Å; G220-L224 PolarHBondContact O-N 3.01Å | ||
| 221 | A | 86.4 | Confident | 89.3 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.5 | -38.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V215 R223 L224 Y225 M401 | V215-A221 HydrophobicContact CG1-CB 3.94Å; V215-A221 HydrophobicContact CG2-CB 4.31Å; A221-R223 PolarHBondContact O-N 2.98Å; A221-L224 WeakPolarHBondContact O-CB 3.03Å; A221-L224 PolarHBondContact O-N 3.16Å; A221-L224 VanDerWaalsContact O-N 3.1Å; A221-Y225 HydrophobicContact CB-CD2 4.38Å; A221-Y225 HydrophobicContact CB-CE2 4.46Å; A221-Y225 VanDerWaalsContact O-CD2 3.25Å; A221-Y225 WeakPolarHBondContact O-CD2 3.5Å; A221-Y225 PolarHBondContact O-N 3.43Å; A221-M401 WeakPolarHBondContact CB-O 3.33Å |
| 222 | K | 89.8 | Confident | 89.7 | Confident | 77 Ų | 77 | 30.2 Ų | 30.2 | 34% | 0.335 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.9 | -40.5 | 177.7 | -64.2 | 170.5 | 174.1 | 179.9 | 0 | 112 | Q68 G220 S226 F299 Y300 | Q68-K222 HydrophobicContact CG-CB 4.24Å; G220-K222 PolarHBondContact O-N 2.97Å; K222-S226 PolarHBondContact O-N 3.03Å; K222-S226 VanDerWaalsContact O-N 3.1Å; K222-S226 PolarHBondContact O-OG 2.94Å; K222-F299 HydrophobicContact CG-CE1 4.06Å; K222-F299 HydrophobicContact CG-CZ 4.33Å; K222-Y300 HydrophobicContact CD-CD1 4.28Å; K222-Y300 HydrophobicContact CD-CE1 3.82Å; K222-Y300 HydrophobicContact CG-CE1 4Å |
| 223 | R | 91.5 | Very high | 90.4 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 11% | 0.106 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.6 | -45.9 | 175.6 | -172.5 | 175.4 | 177.3 | -149.8 | 5.6 | 111.3 | P70 P74 I218 G220 A221 Y225 S226 L227 | P70-R223 HydrophobicContact CB-CG 4.06Å; P70-R223 VanDerWaalsContact O-CZ 3.27Å; P70-R223 PolarHBondContact O-NE 2.99Å; P70-R223 PolarHBondContact O-NH2 3.19Å; P74-R223 PolarHBondContact O-NH2 2.92Å; I218-R223 HydrophobicContact CG2-CB 4.03Å; I218-R223 HydrophobicContact CG2-CG 3.7Å; I218-R223 VanDerWaalsContact O-CD 3.32Å; I218-R223 WeakPolarHBondContact O-CD 3.27Å; I218-R223 PolarHBondContact O-NH1 2.96Å; G220-R223 PolarHBondContact O-N 3.44Å; A221-R223 PolarHBondContact O-N 2.98Å; R223-Y225 PolarHBondContact O-N 3.05Å; R223-S226 PolarHBondContact O-N 2.92Å; R223-S226 PolarHBondContact O-OG 3.17Å; R223-L227 HydrophobicContact CG-CD1 4.29Å; R223-L227 PolarHBondContact O-N 3.3Å |
| 224 | L | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.8 | -49.1 | 175 | 173.4 | 62.5 | 0 | 0 | 0 | 111.9 | I84 F87 L214 V215 I218 G220 A221 S226 L227 S228 | I84-L224 HydrophobicContact CG1-CD1 4.15Å; I84-L224 HydrophobicContact CG2-CD1 4.22Å; F87-L224 HydrophobicContact CD1-CD1 3.96Å; F87-L224 HydrophobicContact CD1-CD2 4.35Å; F87-L224 HydrophobicContact CD1-CG 4.23Å; F87-L224 HydrophobicContact CD2-CD2 4.4Å; F87-L224 HydrophobicContact CE1-CD1 4.25Å; F87-L224 HydrophobicContact CE1-CD2 4.07Å; F87-L224 HydrophobicContact CE1-CG 4.01Å; F87-L224 HydrophobicContact CE2-CD2 4.11Å; F87-L224 HydrophobicContact CG-CD1 4.37Å; F87-L224 HydrophobicContact CZ-CD2 3.95Å; F87-L224 HydrophobicContact CZ-CG 4.36Å; L214-L224 HydrophobicContact CD2-CD1 3.81Å; L214-L224 HydrophobicContact CD2-CD2 4.33Å; L214-L224 HydrophobicContact CG-CD1 4.16Å; L214-L224 HydrophobicContact CG-CD2 4.48Å; V215-L224 HydrophobicContact CG2-CD2 3.47Å; V215-L224 VanDerWaalsContact CG2-CD2 3.47Å; I218-L224 HydrophobicContact CD1-CB 4.24Å; I218-L224 HydrophobicContact CD1-CD1 3.59Å; I218-L224 HydrophobicContact CD1-CG 4.42Å; G220-L224 PolarHBondContact O-N 3.01Å; A221-L224 WeakPolarHBondContact O-CB 3.03Å; A221-L224 PolarHBondContact O-N 3.16Å; A221-L224 VanDerWaalsContact O-N 3.1Å; L224-S226 PolarHBondContact O-N 3Å; L224-L227 PolarHBondContact O-N 3.04Å; L224-S228 WeakPolarHBondContact O-CB 3.25Å; L224-S228 PolarHBondContact O-N 3.29Å |
| 225 | Y | 90.9 | Very high | 91.2 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 11% | 0.114 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.3 | -35 | -179.5 | -81.4 | -76.7 | 0 | 0 | 0 | 113 | F87 R91 A221 R223 S228 A229 F299 M401 | F87-Y225 HydrophobicContact CE1-CE1 4.45Å; F87-Y225 HydrophobicContact CZ-CE1 4.15Å; R91-Y225 PolarHBondContact NH1-OH 3.34Å; A221-Y225 HydrophobicContact CB-CD2 4.38Å; A221-Y225 HydrophobicContact CB-CE2 4.46Å; A221-Y225 VanDerWaalsContact O-CD2 3.25Å; A221-Y225 WeakPolarHBondContact O-CD2 3.5Å; A221-Y225 PolarHBondContact O-N 3.43Å; R223-Y225 PolarHBondContact O-N 3.05Å; Y225-S228 PolarHBondContact O-N 2.84Å; Y225-A229 WeakPolarHBondContact O-CB 3.39Å; Y225-A229 PolarHBondContact O-N 2.67Å; Y225-F299 AromaticContact CD2-CE2 3.72Å; Y225-F299 HydrophobicContact CD2-CE2 3.72Å; Y225-F299 AromaticContact CD2-CZ 3.7Å; Y225-F299 HydrophobicContact CD2-CZ 3.7Å; Y225-F299 AromaticContact CE2-CE2 3.94Å; Y225-F299 HydrophobicContact CE2-CE2 3.94Å; Y225-F299 HydrophobicContact CE2-CZ 4.33Å; Y225-F299 HydrophobicContact CG-CE2 4.23Å; Y225-F299 HydrophobicContact CG-CZ 4.17Å; Y225-M401 HydrophobicContact CE2-CB 4.29Å; Y225-M401 WeakPolarHBondContact CE2-O 3.49Å; Y225-M401 WeakPolarHBondContact OH-CG 3.41Å; Y225-M401 PolarHBondContact OH-SD 3.35Å; Y225-M401 VanDerWaalsContact OH-SD 3.41Å |
| 226 | S | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 173.9 | 70 | 0 | 0 | 0 | 0 | 112.5 | P70 K222 R223 L224 L230 | P70-S226 WeakPolarHBondContact CB-OG 3.41Å; K222-S226 PolarHBondContact O-N 3.03Å; K222-S226 VanDerWaalsContact O-N 3.1Å; K222-S226 PolarHBondContact O-OG 2.94Å; R223-S226 PolarHBondContact O-N 2.92Å; R223-S226 PolarHBondContact O-OG 3.17Å; L224-S226 PolarHBondContact O-N 3Å; S226-L230 PolarHBondContact O-N 2.93Å |
| 227 | L | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.8 | -38 | 174.3 | -70.2 | 171 | 0 | 0 | 0 | 111 | P70 F71 L76 W81 I84 I218 R223 L224 L230 I231 | P70-L227 HydrophobicContact CB-CD2 3.82Å; P70-L227 HydrophobicContact CB-CG 3.9Å; P70-L227 HydrophobicContact CG-CD2 4.21Å; F71-L227 HydrophobicContact CE1-CD2 4.01Å; F71-L227 HydrophobicContact CZ-CD2 4.06Å; L76-L227 HydrophobicContact CD1-CD1 3.71Å; W81-L227 HydrophobicContact CH2-CD2 4Å; I84-L227 HydrophobicContact CD1-CD1 3.95Å; I84-L227 HydrophobicContact CG2-CB 4.15Å; I218-L227 HydrophobicContact CG2-CD1 4.25Å; R223-L227 HydrophobicContact CG-CD1 4.29Å; R223-L227 PolarHBondContact O-N 3.3Å; L224-L227 PolarHBondContact O-N 3.04Å; L227-L230 WeakPolarHBondContact O-CB 3.34Å; L227-L230 PolarHBondContact O-N 3.27Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 3.38Å |
| 228 | S | 94.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 177.9 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | S88 L224 Y225 L230 I231 S232 | S88-S228 WeakPolarHBondContact CA-OG 3.32Å; S88-S228 WeakPolarHBondContact CB-OG 3.45Å; S88-S228 WeakPolarHBondContact OG-CA 3.3Å; S88-S228 WeakPolarHBondContact OG-CB 3.35Å; S88-S228 PolarHBondContact OG-OG 3.29Å; L224-S228 WeakPolarHBondContact O-CB 3.25Å; L224-S228 PolarHBondContact O-N 3.29Å; Y225-S228 PolarHBondContact O-N 2.84Å; S228-L230 VanDerWaalsContact C-N 3.27Å; S228-L230 PolarHBondContact O-N 2.77Å; S228-I231 PolarHBondContact O-N 3.09Å; S228-S232 VanDerWaalsContact O-CB 3.29Å; S228-S232 WeakPolarHBondContact O-CB 3.23Å; S228-S232 PolarHBondContact O-N 3.21Å; S228-S232 PolarHBondContact O-OG 3.43Å |
| 229 | A | 93.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A60 Y225 F233 | A60-A229 HydrophobicContact CB-CB 4.25Å; Y225-A229 WeakPolarHBondContact O-CB 3.39Å; Y225-A229 PolarHBondContact O-N 2.67Å; A229-F233 WeakPolarHBondContact O-CB 3.27Å; A229-F233 PolarHBondContact O-N 3.31Å |
| 230 | L | 95.5 | Very high | 92.2 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 174.8 | -176 | 155 | 0 | 0 | 0 | 111.9 | L61 F71 S226 L227 S228 F233 I234 | L61-L230 VanDerWaalsContact CD1-CA 3.46Å; L61-L230 HydrophobicContact CD1-CB 3.65Å; L61-L230 HydrophobicContact CD1-CD1 4.24Å; L61-L230 HydrophobicContact CD1-CG 3.83Å; F71-L230 HydrophobicContact CE2-CD1 4.3Å; F71-L230 HydrophobicContact CZ-CD1 4.02Å; S226-L230 PolarHBondContact O-N 2.93Å; L227-L230 WeakPolarHBondContact O-CB 3.34Å; L227-L230 PolarHBondContact O-N 3.27Å; S228-L230 VanDerWaalsContact C-N 3.27Å; S228-L230 PolarHBondContact O-N 2.77Å; L230-F233 PolarHBondContact O-N 3.26Å; L230-I234 HydrophobicContact CD2-CD1 3.53Å; L230-I234 HydrophobicContact CD2-CG1 4.48Å; L230-I234 HydrophobicContact CG-CD1 4.42Å; L230-I234 WeakPolarHBondContact O-CG1 3.45Å; L230-I234 PolarHBondContact O-N 3.23Å; L230-I234 VanDerWaalsContact O-N 3.08Å |
| 231 | I | 95.9 | Very high | 92.3 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 179.9 | -65.2 | -178.9 | 0 | 0 | 0 | 110.9 | W81 I84 L85 L227 S228 F233 I234 I235 | W81-I231 HydrophobicContact CE3-CD1 4.25Å; W81-I231 HydrophobicContact CZ3-CD1 4.09Å; I84-I231 HydrophobicContact CB-CD1 4.17Å; I84-I231 HydrophobicContact CG2-CD1 3.53Å; L85-I231 HydrophobicContact CD1-CG2 3.63Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 3.38Å; S228-I231 PolarHBondContact O-N 3.09Å; I231-F233 VanDerWaalsContact C-N 3.3Å; I231-F233 PolarHBondContact O-N 3.08Å; I231-I234 PolarHBondContact O-N 2.88Å; I231-I235 HydrophobicContact CG2-CD1 3.65Å; I231-I235 HydrophobicContact CG2-CG1 4.22Å; I231-I235 VanDerWaalsContact O-CG1 3.31Å; I231-I235 WeakPolarHBondContact O-CG1 3.32Å; I231-I235 PolarHBondContact O-N 2.67Å |
| 232 | S | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 176.8 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | S228 I235 L236 | S228-S232 VanDerWaalsContact O-CB 3.29Å; S228-S232 WeakPolarHBondContact O-CB 3.23Å; S228-S232 PolarHBondContact O-N 3.21Å; S228-S232 PolarHBondContact O-OG 3.43Å; S232-I235 PolarHBondContact O-N 2.92Å; S232-L236 WeakPolarHBondContact O-CB 3.42Å; S232-L236 VanDerWaalsContact O-CG 3.26Å; S232-L236 WeakPolarHBondContact O-CG 3.18Å; S232-L236 PolarHBondContact O-N 3.47Å |
| 233 | F | 95.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 38.6 Ų | 38.6 | 18% | 0.18 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.5 | -178.7 | -114.2 | 0 | 0 | 0 | 111.7 | I54 K57 F58 L61 A229 L230 I231 I235 L236 I237 | I54-F233 HydrophobicContact CD1-CE2 4.25Å; I54-F233 HydrophobicContact CG1-CD2 3.99Å; I54-F233 HydrophobicContact CG1-CE2 3.92Å; K57-F233 HydrophobicContact CB-CB 4.46Å; F58-F233 HydrophobicContact CB-CD2 3.85Å; F58-F233 HydrophobicContact CB-CE2 3.63Å; F58-F233 HydrophobicContact CB-CZ 4.38Å; F58-F233 HydrophobicContact CD2-CD1 4.49Å; F58-F233 HydrophobicContact CD2-CD2 4.14Å; F58-F233 AromaticContact CD2-CE1 3.87Å; F58-F233 HydrophobicContact CD2-CE1 3.87Å; F58-F233 AromaticContact CD2-CE2 3.49Å; F58-F233 HydrophobicContact CD2-CE2 3.49Å; F58-F233 VanDerWaalsContact CD2-CE2 3.49Å; F58-F233 AromaticContact CD2-CZ 3.34Å; F58-F233 HydrophobicContact CD2-CZ 3.34Å; F58-F233 HydrophobicContact CE2-CE1 4.32Å; F58-F233 HydrophobicContact CE2-CE2 4.47Å; F58-F233 AromaticContact CE2-CZ 3.93Å; F58-F233 HydrophobicContact CE2-CZ 3.93Å; F58-F233 HydrophobicContact CG-CD2 4.46Å; F58-F233 AromaticContact CG-CE2 3.88Å; F58-F233 HydrophobicContact CG-CE2 3.88Å; F58-F233 HydrophobicContact CG-CZ 4.16Å; L61-F233 HydrophobicContact CD2-CD1 4.36Å; A229-F233 WeakPolarHBondContact O-CB 3.27Å; A229-F233 PolarHBondContact O-N 3.31Å; L230-F233 PolarHBondContact O-N 3.26Å; I231-F233 VanDerWaalsContact C-N 3.3Å; I231-F233 PolarHBondContact O-N 3.08Å; F233-I235 VanDerWaalsContact C-N 3.34Å; F233-I235 PolarHBondContact O-N 3.39Å; F233-L236 PolarHBondContact O-N 3.3Å; F233-I237 HydrophobicContact CD1-CD1 3.97Å; F233-I237 HydrophobicContact CE1-CD1 3.6Å; F233-I237 HydrophobicContact CE1-CG1 4.27Å; F233-I237 HydrophobicContact CE2-CD1 4.47Å; F233-I237 HydrophobicContact CE2-CG1 4.26Å; F233-I237 HydrophobicContact CZ-CD1 3.86Å; F233-I237 HydrophobicContact CZ-CG1 4.08Å; F233-I237 WeakPolarHBondContact O-CG1 3.37Å; F233-I237 PolarHBondContact O-N 3.28Å; F233-I237 VanDerWaalsContact O-N 3.11Å |
| 234 | I | 95.2 | Very high | 91.1 | Very high | 101 Ų | 101 | 41.4 Ų | 41.4 | 52% | 0.518 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 176.3 | -66.9 | 172.3 | 0 | 0 | 0 | 111.6 | L230 I231 L236 P238 | L230-I234 HydrophobicContact CD2-CD1 3.53Å; L230-I234 HydrophobicContact CD2-CG1 4.48Å; L230-I234 HydrophobicContact CG-CD1 4.42Å; L230-I234 WeakPolarHBondContact O-CG1 3.45Å; L230-I234 PolarHBondContact O-N 3.23Å; L230-I234 VanDerWaalsContact O-N 3.08Å; I231-I234 PolarHBondContact O-N 2.88Å; I234-L236 VanDerWaalsContact C-N 3.32Å; I234-L236 PolarHBondContact O-N 2.93Å; I234-P238 WeakPolarHBondContact O-CD 3.48Å |
| 235 | I | 94.3 | Very high | 90.5 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 26% | 0.256 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.7 | -37.2 | 178.1 | -68.2 | 168.7 | 0 | 0 | 0 | 111.3 | L85 L92 I231 S232 F233 | L85-I235 HydrophobicContact CD1-CD1 4.23Å; L92-I235 HydrophobicContact CD2-CG2 3.92Å; I231-I235 HydrophobicContact CG2-CD1 3.65Å; I231-I235 HydrophobicContact CG2-CG1 4.22Å; I231-I235 VanDerWaalsContact O-CG1 3.31Å; I231-I235 WeakPolarHBondContact O-CG1 3.32Å; I231-I235 PolarHBondContact O-N 2.67Å; S232-I235 PolarHBondContact O-N 2.92Å; F233-I235 VanDerWaalsContact C-N 3.34Å; F233-I235 PolarHBondContact O-N 3.39Å |
| 236 | L | 94.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -77.3 | -27.7 | -177.2 | -73.9 | 175.3 | 0 | 0 | 0 | 113.9 | L50 L53 I54 K57 L92 S232 F233 I234 L239 F240 | L50-L236 HydrophobicContact CD1-CD2 3.71Å; L53-L236 HydrophobicContact CD2-CD1 4.42Å; L53-L236 HydrophobicContact CD2-CD2 4.21Å; L53-L236 HydrophobicContact CG-CD1 3.98Å; I54-L236 HydrophobicContact CB-CB 4.32Å; I54-L236 HydrophobicContact CB-CD1 4.13Å; I54-L236 HydrophobicContact CD1-CB 4.12Å; I54-L236 HydrophobicContact CG1-CB 4.04Å; I54-L236 HydrophobicContact CG1-CD1 4.41Å; K57-L236 HydrophobicContact CB-CD1 4.29Å; K57-L236 HydrophobicContact CG-CD1 3.85Å; L92-L236 HydrophobicContact CD1-CD1 3.72Å; L92-L236 HydrophobicContact CD1-CD2 3.82Å; L92-L236 HydrophobicContact CD1-CG 3.62Å; L92-L236 HydrophobicContact CD2-CD2 3.9Å; L92-L236 HydrophobicContact CD2-CG 4.34Å; L92-L236 HydrophobicContact CG-CD2 4.27Å; S232-L236 WeakPolarHBondContact O-CB 3.42Å; S232-L236 VanDerWaalsContact O-CG 3.26Å; S232-L236 WeakPolarHBondContact O-CG 3.18Å; S232-L236 PolarHBondContact O-N 3.47Å; F233-L236 PolarHBondContact O-N 3.3Å; I234-L236 VanDerWaalsContact C-N 3.32Å; I234-L236 PolarHBondContact O-N 2.93Å; L236-L239 HydrophobicContact CD2-CD2 4.45Å; L236-L239 PolarHBondContact O-N 3.08Å; L236-F240 WeakPolarHBondContact O-CB 3.37Å; L236-F240 PolarHBondContact O-N 3.38Å |
| 237 | I | 92.8 | Very high | 88.5 | Confident | 62 Ų | 62 | 57 Ų | 57 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.2 | -53.3 | -177.6 | -74.1 | 163.8 | 0 | 0 | 0 | 112.1 | I54 F233 L239 F240 L241 | I54-I237 HydrophobicContact CD1-CG1 4.37Å; F233-I237 HydrophobicContact CD1-CD1 3.97Å; F233-I237 HydrophobicContact CE1-CD1 3.6Å; F233-I237 HydrophobicContact CE1-CG1 4.27Å; F233-I237 HydrophobicContact CE2-CD1 4.47Å; F233-I237 HydrophobicContact CE2-CG1 4.26Å; F233-I237 HydrophobicContact CZ-CD1 3.86Å; F233-I237 HydrophobicContact CZ-CG1 4.08Å; F233-I237 WeakPolarHBondContact O-CG1 3.37Å; F233-I237 PolarHBondContact O-N 3.28Å; F233-I237 VanDerWaalsContact O-N 3.11Å; I237-L239 VanDerWaalsContact C-N 3.29Å; I237-L239 PolarHBondContact O-N 3.17Å; I237-F240 PolarHBondContact O-N 2.86Å; I237-L241 HydrophobicContact CG2-CD1 3.8Å; I237-L241 HydrophobicContact CG2-CG 4.3Å; I237-L241 WeakPolarHBondContact O-CB 3.38Å; I237-L241 VanDerWaalsContact O-CG 3.32Å; I237-L241 WeakPolarHBondContact O-CG 3.42Å; I237-L241 PolarHBondContact O-N 2.88Å |
| 238 | P | 91.4 | Very high | 86.8 | Confident | 83 Ų | 83 | 61.8 Ų | 61.8 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 179 | -24 | 33.6 | 0 | 0 | 0 | 112.4 | I234 L242 | I234-P238 WeakPolarHBondContact O-CD 3.48Å; P238-L242 VanDerWaalsContact O-CB 3.27Å; P238-L242 WeakPolarHBondContact O-CB 3.39Å; P238-L242 PolarHBondContact O-N 3.15Å |
| 239 | L | 86.8 | Confident | 84.9 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 44% | 0.44 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 179.6 | -173.9 | 64 | 0 | 0 | 0 | 111.4 | L50 L236 I237 L242 T243 | L50-L239 HydrophobicContact CD1-CD2 3.78Å; L50-L239 HydrophobicContact CD1-CG 4.2Å; L50-L239 HydrophobicContact CD2-CD2 4.26Å; L50-L239 HydrophobicContact CD2-CG 3.88Å; L236-L239 HydrophobicContact CD2-CD2 4.45Å; L236-L239 PolarHBondContact O-N 3.08Å; I237-L239 VanDerWaalsContact C-N 3.29Å; I237-L239 PolarHBondContact O-N 3.17Å; L239-L242 WeakPolarHBondContact O-CB 3.36Å; L239-L242 PolarHBondContact O-N 2.89Å; L239-T243 WeakPolarHBondContact O-CG2 3.3Å; L239-T243 PolarHBondContact O-N 3.33Å; L239-T243 PolarHBondContact O-OG1 3.38Å |
| 240 | F | 87.6 | Confident | 83 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.3 | -50 | 176.5 | 176.2 | -99.1 | 0 | 0 | 0 | 111.3 | T51 I54 L236 I237 L242 T243 H244 | T51-F240 HydrophobicContact CG2-CE2 4.24Å; I54-F240 HydrophobicContact CD1-CB 3.55Å; I54-F240 HydrophobicContact CD1-CD1 4.18Å; I54-F240 HydrophobicContact CD1-CD2 4.35Å; I54-F240 HydrophobicContact CD1-CG 3.77Å; I54-F240 HydrophobicContact CG2-CD2 3.79Å; I54-F240 HydrophobicContact CG2-CE2 4.14Å; I54-F240 HydrophobicContact CG2-CG 4.29Å; L236-F240 WeakPolarHBondContact O-CB 3.37Å; L236-F240 PolarHBondContact O-N 3.38Å; I237-F240 PolarHBondContact O-N 2.86Å; F240-L242 VanDerWaalsContact C-N 3.3Å; F240-L242 PolarHBondContact O-N 3.15Å; F240-T243 PolarHBondContact O-N 2.97Å; F240-T243 PolarHBondContact O-OG1 3.12Å; F240-H244 WeakPolarHBondContact O-CB 3.44Å; F240-H244 PolarHBondContact O-N 2.84Å |
| 241 | L | 87.1 | Confident | 80.7 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 40% | 0.398 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.7 | -46.8 | 176.4 | -70.5 | 174.9 | 0 | 0 | 0 | 110.7 | I237 T243 H244 F245 | I237-L241 HydrophobicContact CG2-CD1 3.8Å; I237-L241 HydrophobicContact CG2-CG 4.3Å; I237-L241 WeakPolarHBondContact O-CB 3.38Å; I237-L241 VanDerWaalsContact O-CG 3.32Å; I237-L241 WeakPolarHBondContact O-CG 3.42Å; I237-L241 PolarHBondContact O-N 2.88Å; L241-T243 PolarHBondContact O-N 2.69Å; L241-H244 PolarHBondContact O-N 2.77Å; L241-F245 HydrophobicContact CB-CD2 4.21Å; L241-F245 HydrophobicContact CB-CE2 4.18Å; L241-F245 HydrophobicContact CD2-CE2 4.28Å; L241-F245 WeakPolarHBondContact O-CB 3.31Å; L241-F245 WeakPolarHBondContact O-CD2 3.28Å; L241-F245 PolarHBondContact O-N 2.78Å |
| 242 | L | 84.3 | Confident | 78.5 | Confident | 93 Ų | 93 | 76.3 Ų | 76.3 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.2 | -51.8 | 177.7 | -165.9 | 73.2 | 0 | 0 | 0 | 111.3 | P238 L239 F240 H244 F246 | P238-L242 VanDerWaalsContact O-CB 3.27Å; P238-L242 WeakPolarHBondContact O-CB 3.39Å; P238-L242 PolarHBondContact O-N 3.15Å; L239-L242 WeakPolarHBondContact O-CB 3.36Å; L239-L242 PolarHBondContact O-N 2.89Å; F240-L242 VanDerWaalsContact C-N 3.3Å; F240-L242 PolarHBondContact O-N 3.15Å; L242-H244 VanDerWaalsContact C-N 3.34Å; L242-H244 PolarHBondContact O-N 2.78Å; L242-F246 HydrophobicContact CD1-CD2 4.06Å; L242-F246 HydrophobicContact CD1-CE2 3.46Å; L242-F246 VanDerWaalsContact CD1-CE2 3.46Å; L242-F246 HydrophobicContact CD1-CZ 4.43Å; L242-F246 HydrophobicContact CD2-CE2 4.38Å; L242-F246 HydrophobicContact CG-CD2 3.83Å; L242-F246 HydrophobicContact CG-CE2 3.63Å; L242-F246 WeakPolarHBondContact O-CD2 3.45Å; L242-F246 PolarHBondContact O-N 3.27Å |
| 243 | T | 79.2 | Confident | 76.6 | Confident | 46 Ų | 46 | 80.7 Ų | 80.7 | 28% | 0.282 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 179.4 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | L50 L239 F240 L241 N247 | L50-T243 HydrophobicContact CD2-CG2 3.6Å; L50-T243 WeakPolarHBondContact CD2-OG1 2.97Å; L239-T243 WeakPolarHBondContact O-CG2 3.3Å; L239-T243 PolarHBondContact O-N 3.33Å; L239-T243 PolarHBondContact O-OG1 3.38Å; F240-T243 PolarHBondContact O-N 2.97Å; F240-T243 PolarHBondContact O-OG1 3.12Å; L241-T243 PolarHBondContact O-N 2.69Å; T243-N247 WeakPolarHBondContact O-CB 3.5Å; T243-N247 PolarHBondContact O-N 2.98Å |
| 244 | H | 79 | Confident | 74.5 | Confident | 86 Ų | 86 | 85 Ų | 85 | 40% | 0.398 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.7 | -47.4 | 179.9 | -169.5 | 60 | 0 | 0 | 0 | 111.2 | F240 L241 L242 F246 N247 E248 | F240-H244 WeakPolarHBondContact O-CB 3.44Å; F240-H244 PolarHBondContact O-N 2.84Å; L241-H244 PolarHBondContact O-N 2.77Å; L242-H244 VanDerWaalsContact C-N 3.34Å; L242-H244 PolarHBondContact O-N 2.78Å; H244-F246 PolarHBondContact O-N 2.98Å; H244-N247 PolarHBondContact O-N 3.38Å; H244-E248 IonicContact CE1-OE1 3.79Å; H244-E248 IonicContact NE2-OE1 2.59Å; H244-E248 PolarHBondContact O-N 3.38Å |
| 245 | F | 79.2 | Confident | 72.5 | Confident | 128 Ų | 128 | 85.3 Ų | 85.3 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 175.8 | -80 | -64.1 | 0 | 0 | 0 | 112.5 | L241 N249 | L241-F245 HydrophobicContact CB-CD2 4.21Å; L241-F245 HydrophobicContact CB-CE2 4.18Å; L241-F245 HydrophobicContact CD2-CE2 4.28Å; L241-F245 WeakPolarHBondContact O-CB 3.31Å; L241-F245 WeakPolarHBondContact O-CD2 3.28Å; L241-F245 PolarHBondContact O-N 2.78Å; F245-N249 PolarHBondContact O-ND2 2.66Å |
| 246 | F | 75.8 | Confident | 70.6 | Confident | 137 Ų | 137 | 88.7 Ų | 88.7 | 60% | 0.601 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.4 | -34.8 | 176.5 | -79.7 | -64.3 | 0 | 0 | 0 | 113 | L242 H244 S250 | L242-F246 HydrophobicContact CD1-CD2 4.06Å; L242-F246 HydrophobicContact CD1-CE2 3.46Å; L242-F246 VanDerWaalsContact CD1-CE2 3.46Å; L242-F246 HydrophobicContact CD1-CZ 4.43Å; L242-F246 HydrophobicContact CD2-CE2 4.38Å; L242-F246 HydrophobicContact CG-CD2 3.83Å; L242-F246 HydrophobicContact CG-CE2 3.63Å; L242-F246 WeakPolarHBondContact O-CD2 3.45Å; L242-F246 PolarHBondContact O-N 3.27Å; H244-F246 PolarHBondContact O-N 2.98Å; F246-S250 PolarHBondContact O-N 3.04Å |
| 247 | N | 65.7 | Low | 68.8 | Low | 91 Ų | 91 | 92.4 Ų | 92.4 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.9 | -37.9 | -179.3 | -166.9 | 52.4 | 0 | 0 | 0 | 112.4 | T243 H244 N249 S250 L251 | T243-N247 WeakPolarHBondContact O-CB 3.5Å; T243-N247 PolarHBondContact O-N 2.98Å; H244-N247 PolarHBondContact O-N 3.38Å; N247-N249 VanDerWaalsContact C-N 3.27Å; N247-N249 PolarHBondContact O-N 3.15Å; N247-S250 PolarHBondContact O-N 2.74Å; N247-S250 VanDerWaalsContact O-N 3.12Å; N247-L251 WeakPolarHBondContact O-CB 3.16Å; N247-L251 PolarHBondContact O-N 3.43Å |
| 248 | E | 60.1 | Low | 67 | Low | 102 Ų | 102 | 93.2 Ų | 93.2 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.6 | -40.7 | 173.4 | -76.6 | -171.9 | 159.2 | 0 | 0 | 111.8 | H244 S250 L251 H252 | H244-E248 IonicContact CE1-OE1 3.79Å; H244-E248 IonicContact NE2-OE1 2.59Å; H244-E248 PolarHBondContact O-N 3.38Å; E248-S250 VanDerWaalsContact C-N 3.33Å; E248-S250 PolarHBondContact O-N 3.33Å; E248-L251 PolarHBondContact O-N 3.29Å; E248-H252 PolarHBondContact O-N 3.4Å |
| 249 | N | 53.5 | Low | 65.5 | Low | 108 Ų | 108 | 94.5 Ų | 94.5 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.6 | -37.1 | 176 | -66.3 | -17.8 | 0 | 0 | 0 | 112.4 | F245 N247 T253 | F245-N249 PolarHBondContact O-ND2 2.66Å; N247-N249 VanDerWaalsContact C-N 3.27Å; N247-N249 PolarHBondContact O-N 3.15Å; N249-T253 PolarHBondContact O-OG1 2.9Å; N249-T253 VanDerWaalsContact O-OG1 3.1Å |
| 250 | S | 53.4 | Low | 64.3 | Low | 53 Ų | 53 | 95.7 Ų | 95.7 | 37% | 0.371 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.3 | -37.7 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | F246 N247 E248 H252 T253 K254 | F246-S250 PolarHBondContact O-N 3.04Å; N247-S250 PolarHBondContact O-N 2.74Å; N247-S250 VanDerWaalsContact O-N 3.12Å; E248-S250 VanDerWaalsContact C-N 3.33Å; E248-S250 PolarHBondContact O-N 3.33Å; S250-H252 VanDerWaalsContact C-N 3.32Å; S250-H252 PolarHBondContact O-N 3.13Å; S250-T253 WeakPolarHBondContact O-CB 3.21Å; S250-T253 PolarHBondContact O-N 3.41Å; S250-T253 VanDerWaalsContact O-N 3.07Å; S250-K254 PolarHBondContact O-N 2.94Å |
| 251 | L | 49.2 | Very low | 63.1 | Low | 83 Ų | 83 | 98.5 Ų | 98.5 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 179.3 | -135.2 | 124.7 | 0 | 0 | 0 | 110.7 | N247 E248 T253 K254 E255 | N247-L251 WeakPolarHBondContact O-CB 3.16Å; N247-L251 PolarHBondContact O-N 3.43Å; E248-L251 PolarHBondContact O-N 3.29Å; L251-T253 PolarHBondContact O-N 3.18Å; L251-K254 PolarHBondContact O-N 3.37Å; L251-E255 HydrophobicContact CD2-CG 4.28Å; L251-E255 WeakPolarHBondContact O-CB 3.49Å; L251-E255 WeakPolarHBondContact O-CG 3.47Å; L251-E255 PolarHBondContact O-N 2.95Å |
| 252 | H | 49.1 | Very low | 61.6 | Low | 123 Ų | 123 | 100.8 Ų | 100.8 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -29.4 | 175.3 | -151.8 | -52.1 | 0 | 0 | 0 | 112.8 | E248 S250 Q256 | E248-H252 PolarHBondContact O-N 3.4Å; S250-H252 VanDerWaalsContact C-N 3.32Å; S250-H252 PolarHBondContact O-N 3.13Å; H252-Q256 VanDerWaalsContact O-CG 3.32Å; H252-Q256 WeakPolarHBondContact O-CG 3.45Å; H252-Q256 PolarHBondContact O-N 3.44Å |
| 253 | T | 54.8 | Low | 60.7 | Low | 91 Ų | 91 | 101 Ų | 101 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -80.5 | -40.2 | 175.9 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | N249 S250 L251 Q256 L257 | N249-T253 PolarHBondContact O-OG1 2.9Å; N249-T253 VanDerWaalsContact O-OG1 3.1Å; S250-T253 WeakPolarHBondContact O-CB 3.21Å; S250-T253 PolarHBondContact O-N 3.41Å; S250-T253 VanDerWaalsContact O-N 3.07Å; L251-T253 PolarHBondContact O-N 3.18Å; T253-Q256 PolarHBondContact O-N 2.91Å; T253-L257 PolarHBondContact O-N 2.99Å |
| 254 | K | 51.2 | Low | 60.1 | Low | 131 Ų | 131 | 105.3 Ų | 105.3 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.1 | -37.2 | 176.9 | -99.6 | 178.1 | 178.8 | 172.4 | 0 | 112.7 | S250 L251 Q256 L257 N258 | S250-K254 PolarHBondContact O-N 2.94Å; L251-K254 PolarHBondContact O-N 3.37Å; K254-Q256 VanDerWaalsContact C-N 3.34Å; K254-L257 PolarHBondContact O-N 2.8Å; K254-N258 WeakPolarHBondContact O-CB 3.38Å; K254-N258 PolarHBondContact O-N 3.04Å; K254-N258 PolarHBondContact O-ND2 3.34Å |
| 255 | E | 54.8 | Low | 58.8 | Low | 109 Ų | 109 | 107 Ų | 107 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 173.4 | -80.2 | -178.4 | 164.5 | 0 | 0 | 111 | L251 N258 L259 | L251-E255 HydrophobicContact CD2-CG 4.28Å; L251-E255 WeakPolarHBondContact O-CB 3.49Å; L251-E255 WeakPolarHBondContact O-CG 3.47Å; L251-E255 PolarHBondContact O-N 2.95Å; E255-N258 PolarHBondContact O-N 3.24Å; E255-L259 VanDerWaalsContact O-CB 3.26Å; E255-L259 WeakPolarHBondContact O-CB 3.22Å; E255-L259 PolarHBondContact O-N 3.02Å |
| 256 | Q | 53.3 | Low | 57.8 | Low | 121 Ų | 121 | 104.2 Ų | 104.2 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 172.7 | -75.7 | -177.5 | -26.3 | 0 | 0 | 112.2 | H252 T253 K254 L260 | H252-Q256 VanDerWaalsContact O-CG 3.32Å; H252-Q256 WeakPolarHBondContact O-CG 3.45Å; H252-Q256 PolarHBondContact O-N 3.44Å; T253-Q256 PolarHBondContact O-N 2.91Å; K254-Q256 VanDerWaalsContact C-N 3.34Å; Q256-L260 WeakPolarHBondContact O-CB 3.12Å; Q256-L260 PolarHBondContact O-N 3.37Å |
| 257 | L | 57.1 | Low | 56.7 | Low | 79 Ų | 79 | 104.4 Ų | 104.4 | 41% | 0.414 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 176.6 | -174.5 | 65.5 | 0 | 0 | 0 | 112.4 | T253 K254 L260 K261 | T253-L257 PolarHBondContact O-N 2.99Å; K254-L257 PolarHBondContact O-N 2.8Å; L257-L260 WeakPolarHBondContact O-CB 3.48Å; L257-L260 PolarHBondContact O-N 2.81Å; L257-K261 HydrophobicContact CG-CD 4.41Å; L257-K261 WeakPolarHBondContact O-CB 3.2Å; L257-K261 VanDerWaalsContact O-CG 3.31Å; L257-K261 WeakPolarHBondContact O-CG 3.04Å; L257-K261 PolarHBondContact O-N 3.38Å |
| 258 | N | 54.2 | Low | 55.6 | Low | 78 Ų | 78 | 106.6 Ų | 106.6 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.6 | -40.4 | 176.3 | -74.7 | -15.6 | 0 | 0 | 0 | 110.5 | K254 E255 L260 K261 M262 | K254-N258 WeakPolarHBondContact O-CB 3.38Å; K254-N258 PolarHBondContact O-N 3.04Å; K254-N258 PolarHBondContact O-ND2 3.34Å; E255-N258 PolarHBondContact O-N 3.24Å; N258-L260 VanDerWaalsContact C-N 3.29Å; N258-L260 PolarHBondContact O-N 2.99Å; N258-K261 CarbonylContact O-C 3.44Å; N258-K261 PolarHBondContact O-N 3.44Å; N258-M262 WeakPolarHBondContact O-CA 3.33Å; N258-M262 WeakPolarHBondContact O-CB 3.45Å; N258-M262 WeakPolarHBondContact O-CG 3.2Å; N258-M262 PolarHBondContact O-N 3.23Å |
| 259 | L | 59.5 | Low | 54.7 | Low | 110 Ų | 110 | 110.8 Ų | 110.8 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.6 | -42.7 | 169.4 | -91.8 | 160.5 | 0 | 0 | 0 | 110.9 | E255 M262 V263 | E255-L259 VanDerWaalsContact O-CB 3.26Å; E255-L259 WeakPolarHBondContact O-CB 3.22Å; E255-L259 PolarHBondContact O-N 3.02Å; L259-M262 PolarHBondContact O-N 2.61Å; L259-V263 VanDerWaalsContact O-CB 3.31Å; L259-V263 WeakPolarHBondContact O-CB 3.49Å; L259-V263 WeakPolarHBondContact O-CG2 3.21Å; L259-V263 PolarHBondContact O-N 2.93Å |
| 260 | L | 62.7 | Low | 53.6 | Low | 110 Ų | 110 | 114.7 Ų | 114.7 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.5 | -46.7 | 176 | -167 | 72.1 | 0 | 0 | 0 | 111.6 | Q256 L257 N258 V263 E264 | Q256-L260 WeakPolarHBondContact O-CB 3.12Å; Q256-L260 PolarHBondContact O-N 3.37Å; L257-L260 WeakPolarHBondContact O-CB 3.48Å; L257-L260 PolarHBondContact O-N 2.81Å; N258-L260 VanDerWaalsContact C-N 3.29Å; N258-L260 PolarHBondContact O-N 2.99Å; L260-V263 PolarHBondContact O-N 3.4Å; L260-E264 WeakPolarHBondContact O-CB 3.42Å; L260-E264 PolarHBondContact O-N 2.83Å |
| 261 | K | 62.3 | Low | 52.8 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 49% | 0.491 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.5 | -33.6 | 176.4 | -72.9 | 176.9 | 178.6 | -176.8 | 0 | 113.2 | L257 N258 E264 N265 | L257-K261 HydrophobicContact CG-CD 4.41Å; L257-K261 WeakPolarHBondContact O-CB 3.2Å; L257-K261 VanDerWaalsContact O-CG 3.31Å; L257-K261 WeakPolarHBondContact O-CG 3.04Å; L257-K261 PolarHBondContact O-N 3.38Å; N258-K261 CarbonylContact O-C 3.44Å; N258-K261 PolarHBondContact O-N 3.44Å; K261-E264 PolarHBondContact O-N 3.45Å; K261-N265 VanDerWaalsContact O-CB 3.28Å; K261-N265 WeakPolarHBondContact O-CB 3.45Å; K261-N265 VanDerWaalsContact O-CG 3.3Å; K261-N265 PolarHBondContact O-N 3.02Å |
| 262 | M | 55.4 | Low | 52 | Low | 124 Ų | 124 | 118.5 Ų | 118.5 | 61% | 0.611 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.3 | -40.8 | 176 | -76 | 169.9 | 155.9 | 0 | 0 | 110.4 | N258 L259 E264 N265 A266 | N258-M262 WeakPolarHBondContact O-CA 3.33Å; N258-M262 WeakPolarHBondContact O-CB 3.45Å; N258-M262 WeakPolarHBondContact O-CG 3.2Å; N258-M262 PolarHBondContact O-N 3.23Å; L259-M262 PolarHBondContact O-N 2.61Å; M262-E264 VanDerWaalsContact C-N 3.31Å; M262-N265 PolarHBondContact O-N 2.91Å; M262-A266 WeakPolarHBondContact O-CA 3.48Å; M262-A266 WeakPolarHBondContact O-CB 3.15Å; M262-A266 PolarHBondContact O-N 3.04Å |
| 263 | V | 65.5 | Low | 51 | Low | 97 Ų | 97 | 122.1 Ų | 122.1 | 59% | 0.588 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.7 | -37.3 | 172.9 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | L259 L260 | L259-V263 VanDerWaalsContact O-CB 3.31Å; L259-V263 WeakPolarHBondContact O-CB 3.49Å; L259-V263 WeakPolarHBondContact O-CG2 3.21Å; L259-V263 PolarHBondContact O-N 2.93Å; L260-V263 PolarHBondContact O-N 3.4Å |
| 264 | E | 66.8 | Low | 49.8 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.3 | -40.2 | 175.6 | -167 | 156.3 | -161 | 0 | 0 | 112.3 | L260 K261 M262 | L260-E264 WeakPolarHBondContact O-CB 3.42Å; L260-E264 PolarHBondContact O-N 2.83Å; K261-E264 PolarHBondContact O-N 3.45Å; M262-E264 VanDerWaalsContact C-N 3.31Å |
| 265 | N | 52.1 | Low | 48.8 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79.2 | -26.3 | 177.2 | -74.9 | -10.5 | 0 | 0 | 0 | 114 | K261 M262 N267 N268 | K261-N265 VanDerWaalsContact O-CB 3.28Å; K261-N265 WeakPolarHBondContact O-CB 3.45Å; K261-N265 VanDerWaalsContact O-CG 3.3Å; K261-N265 PolarHBondContact O-N 3.02Å; M262-N265 PolarHBondContact O-N 2.91Å; N265-N267 PolarHBondContact O-N 2.89Å; N265-N267 VanDerWaalsContact O-N 3.13Å; N265-N268 PolarHBondContact O-N 3.47Å |
| 266 | A | 57.3 | Low | 47.6 | Very low | 70 Ų | 70 | 120 Ų | 120 | 58% | 0.579 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -12.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M262 N268 | M262-A266 WeakPolarHBondContact O-CA 3.48Å; M262-A266 WeakPolarHBondContact O-CB 3.15Å; M262-A266 PolarHBondContact O-N 3.04Å; A266-N268 PolarHBondContact O-N 3.32Å |
| 267 | N | 51.8 | Low | 46.8 | Very low | 142 Ų | 142 | 122 Ų | 122 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -12.8 | 167.7 | -79.9 | -20.9 | 0 | 0 | 0 | 113.2 | N265 | N265-N267 PolarHBondContact O-N 2.89Å; N265-N267 VanDerWaalsContact O-N 3.13Å |
| 268 | N | 42.7 | Very low | 45.8 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -123.1 | 96.7 | 174.1 | -72.3 | -32.5 | 0 | 0 | 0 | 111.4 | N265 A266 | N265-N268 PolarHBondContact O-N 3.47Å; A266-N268 PolarHBondContact O-N 3.32Å |
| 269 | Q | 41.5 | Very low | 44.9 | Very low | 190 Ų | 190 | 125.7 Ų | 125.7 | 89% | 0.888 | 70% | 0.697 | S | S | * | * | trans | 62 | 107.5 | 160.8 | -67.6 | 177.9 | -20.7 | 0 | 0 | 118.1 | ||||
| 270 | M | 31.9 | Very low | 44.5 | Very low | 190 Ų | 190 | 123.6 Ų | 123.6 | 94% | 0.936 | 69% | 0.69 | S | S | * | * | trans | -68.4 | 139.2 | 166.9 | -77.1 | 176.2 | 165.6 | 0 | 0 | 112.9 | ||||
| 271 | P | 34.7 | Very low | 44.1 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 69% | 0.688 | 70% | 0.698 | S | S | * | * | trans | -106.3 | 149.7 | 145.2 | 13.2 | 6.5 | 0 | 0 | 0 | 111.7 | ||||
| 272 | S | 32.6 | Very low | 43.8 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -86.8 | 132.2 | -170.9 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 273 | H | 28.9 | Very low | 44.6 | Very low | 198 Ų | 198 | 126 Ų | 126 | 92% | 0.917 | 69% | 0.694 | S | S | * | * | trans | 25 | 96.2 | 142.8 | -73.6 | -75 | 0 | 0 | 0 | 119.1 | ||||
| 274 | G | 30.1 | Very low | 45.1 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -103.4 | 133 | 150.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 275 | S | 29.6 | Very low | 45.8 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | trans | -61.3 | 136.3 | -175.9 | 42.6 | 0 | 0 | 0 | 0 | 114.3 | E277 | S275-E277 PolarHBondContact O-N 3.28Š| ||
| 276 | S | 30 | Very low | 47.4 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | trans | -57.8 | 91.5 | 172.5 | 169 | 0 | 0 | 0 | 0 | 113.1 | N278 | S276-N278 PolarHBondContact O-N 2.87Š| ||
| 277 | E | 35.9 | Very low | 48.7 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 65% | 0.652 | S | S | * | * | trans | -85.7 | 100.7 | 163.1 | -76 | -164.5 | 164.5 | 0 | 0 | 110.9 | S275 I279 | S275-E277 PolarHBondContact O-N 3.28Å; E277-I279 PolarHBondContact O-N 3.01Å | ||
| 278 | N | 37.3 | Very low | 50.3 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | trans | -75.7 | 57.2 | 172.6 | -83.2 | -38.4 | 0 | 0 | 0 | 112.4 | S276 | S276-N278 PolarHBondContact O-N 2.87Š| ||
| 279 | I | 34.4 | Very low | 52.4 | Low | 89 Ų | 89 | 112.9 Ų | 112.9 | 46% | 0.456 | 60% | 0.601 | S | S | . | * | trans | -126.2 | 44.1 | 166.6 | -39.8 | 179.8 | 0 | 0 | 0 | 114 | E277 R282 | E277-I279 PolarHBondContact O-N 3.01Å; I279-R282 HydrophobicContact CG2-CB 4.38Å | ||
| 280 | P | 51.9 | Low | 54.7 | Low | 66 Ų | 66 | 105.8 Ų | 105.8 | 43% | 0.429 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -79.8 | -32.9 | 168.3 | -18.7 | 31.9 | 0 | 0 | 0 | 118.2 | F345 | P280-F345 HydrophobicContact CB-CD1 4.11Å; P280-F345 HydrophobicContact CB-CE1 3.56Å; P280-F345 HydrophobicContact CB-CE2 4.27Å; P280-F345 HydrophobicContact CB-CZ 3.74Å; P280-F345 HydrophobicContact CG-CD1 4.44Å; P280-F345 HydrophobicContact CG-CE1 3.96Å; P280-F345 WeakPolarHBondContact O-CE2 3.44Å; P280-F345 VanDerWaalsContact O-CZ 3.3Å; P280-F345 WeakPolarHBondContact O-CZ 3.05Å |
| 281 | Q | 54.3 | Low | 57.5 | Low | 156 Ų | 156 | 96.8 Ų | 96.8 | 73% | 0.729 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -84.8 | -22.6 | -161.9 | -158.7 | 171.5 | 3.8 | 0 | 0 | 113.7 | L285 | Q281-L285 PolarHBondContact O-N 3.37Å |
| 282 | R | 55.3 | Low | 60 | Low | 174 Ų | 174 | 91.9 Ų | 91.9 | 66% | 0.657 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.2 | -39.9 | -177.1 | -169.8 | -177.8 | 68.1 | -171.2 | -2.2 | 112.2 | I279 F286 | I279-R282 HydrophobicContact CG2-CB 4.38Å; R282-F286 PolarHBondContact O-N 2.82Å |
| 283 | D | 72.1 | Confident | 62.8 | Low | 67 Ų | 67 | 89.7 Ų | 89.7 | 36% | 0.358 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -77 | -35 | -174.9 | -62.5 | -12.1 | 0 | 0 | 0 | 111.5 | L285 F286 W287 | D283-L285 VanDerWaalsContact C-N 3.35Å; D283-L285 PolarHBondContact O-N 3.12Å; D283-F286 WeakPolarHBondContact O-CB 3.4Å; D283-F286 PolarHBondContact O-N 3.43Å; D283-W287 PolarHBondContact O-N 3.24Å |
| 284 | W | 75.8 | Confident | 65.8 | Low | 82 Ų | 82 | 81.6 Ų | 81.6 | 31% | 0.311 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 172 | 178.9 | 85.1 | 0 | 0 | 0 | 112.2 | T51 F286 W287 M288 | T51-W284 HydrophobicContact CG2-CZ2 4.23Å; W284-F286 VanDerWaalsContact C-N 3.35Å; W284-F286 PolarHBondContact O-N 2.8Å; W284-W287 PolarHBondContact O-N 3.04Å; W284-M288 HydrophobicContact CD2-CG 4.08Å; W284-M288 HydrophobicContact CE3-CG 4.37Å; W284-M288 HydrophobicContact CH2-CG 4.05Å; W284-M288 HydrophobicContact CZ2-CG 3.73Å; W284-M288 HydrophobicContact CZ2-SD 4.33Å; W284-M288 HydrophobicContact CZ3-CG 4.35Å; W284-M288 WeakPolarHBondContact O-CG 3.34Å; W284-M288 PolarHBondContact O-N 2.94Å |
| 285 | L | 82.1 | Confident | 68.6 | Low | 99 Ų | 99 | 80.2 Ų | 80.2 | 52% | 0.518 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | -177.7 | -152.2 | 138.1 | 0 | 0 | 0 | 111.3 | Q281 D283 M288 V289 | Q281-L285 PolarHBondContact O-N 3.37Å; D283-L285 VanDerWaalsContact C-N 3.35Å; D283-L285 PolarHBondContact O-N 3.12Å; L285-M288 PolarHBondContact O-N 2.8Å; L285-V289 HydrophobicContact CD2-CG2 4.26Å; L285-V289 WeakPolarHBondContact O-CB 3.26Å; L285-V289 VanDerWaalsContact O-CG2 3.27Å; L285-V289 WeakPolarHBondContact O-CG2 3.01Å; L285-V289 PolarHBondContact O-N 3.45Å |
| 286 | F | 84.6 | Confident | 71.5 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.4 | -49.9 | 172 | 172.5 | -95.6 | 0 | 0 | 0 | 112 | R282 D283 W284 M288 V289 Y290 | R282-F286 PolarHBondContact O-N 2.82Å; D283-F286 WeakPolarHBondContact O-CB 3.4Å; D283-F286 PolarHBondContact O-N 3.43Å; W284-F286 VanDerWaalsContact C-N 3.35Å; W284-F286 PolarHBondContact O-N 2.8Å; F286-M288 PolarHBondContact O-N 2.94Å; F286-V289 PolarHBondContact O-N 3.31Å; F286-Y290 WeakPolarHBondContact O-CB 3.38Å; F286-Y290 PolarHBondContact O-N 3.11Å |
| 287 | W | 85 | Confident | 74.5 | Confident | 51 Ų | 51 | 73.8 Ų | 73.8 | 19% | 0.193 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 179.3 | -76 | 115 | 0 | 0 | 0 | 112.5 | A39 L43 D283 W284 V289 Y290 I291 V343 | A39-W287 HydrophobicContact CB-CE3 3.77Å; A39-W287 HydrophobicContact CB-CZ3 3.94Å; L43-W287 HydrophobicContact CD1-CB 4.01Å; L43-W287 HydrophobicContact CD2-CB 4.26Å; L43-W287 HydrophobicContact CG-CB 4.46Å; D283-W287 PolarHBondContact O-N 3.24Å; W284-W287 PolarHBondContact O-N 3.04Å; W287-V289 VanDerWaalsContact C-N 3.33Å; W287-V289 PolarHBondContact O-N 2.79Å; W287-Y290 AromaticContact CE3-CD1 3.89Å; W287-Y290 HydrophobicContact CE3-CD1 3.89Å; W287-Y290 AromaticContact CZ3-CD1 3.96Å; W287-Y290 HydrophobicContact CZ3-CD1 3.96Å; W287-Y290 HydrophobicContact CZ3-CE1 4.16Å; W287-Y290 PolarHBondContact O-N 3.06Å; W287-I291 WeakPolarHBondContact O-CB 3.26Å; W287-I291 WeakPolarHBondContact O-CD1 2.98Å; W287-I291 WeakPolarHBondContact O-CG1 3.47Å; W287-I291 PolarHBondContact O-N 2.87Å; W287-V343 HydrophobicContact CH2-CG2 4.28Å; W287-V343 HydrophobicContact CZ2-CG2 3.75Å |
| 288 | M | 85.4 | Confident | 77.1 | Confident | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.8 | -75.4 | -58.5 | -65.9 | 0 | 0 | 112.6 | L43 I52 A55 W284 L285 F286 S292 | L43-M288 HydrophobicContact CD1-CG 4.04Å; L43-M288 HydrophobicContact CD1-SD 3.45Å; L43-M288 WeakPolarHBondContact CD1-SD 2.83Å; I52-M288 HydrophobicContact CB-CE 4.4Å; I52-M288 HydrophobicContact CG1-CE 4.46Å; I52-M288 HydrophobicContact CG1-SD 4.25Å; I52-M288 HydrophobicContact CG2-CE 4.21Å; I52-M288 HydrophobicContact CG2-SD 4.45Å; A55-M288 HydrophobicContact CB-CE 3.13Å; W284-M288 HydrophobicContact CD2-CG 4.08Å; W284-M288 HydrophobicContact CE3-CG 4.37Å; W284-M288 HydrophobicContact CH2-CG 4.05Å; W284-M288 HydrophobicContact CZ2-CG 3.73Å; W284-M288 HydrophobicContact CZ2-SD 4.33Å; W284-M288 HydrophobicContact CZ3-CG 4.35Å; W284-M288 WeakPolarHBondContact O-CG 3.34Å; W284-M288 PolarHBondContact O-N 2.94Å; L285-M288 PolarHBondContact O-N 2.8Å; F286-M288 PolarHBondContact O-N 2.94Å; M288-S292 VanDerWaalsContact O-CB 3.28Å; M288-S292 WeakPolarHBondContact O-CB 3.38Å; M288-S292 PolarHBondContact O-N 3.07Å; M288-S292 VanDerWaalsContact O-N 3.13Å; M288-S292 PolarHBondContact O-OG 2.95Å |
| 289 | V | 87.4 | Confident | 79.6 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 38% | 0.376 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L285 F286 W287 S292 I293 | L285-V289 HydrophobicContact CD2-CG2 4.26Å; L285-V289 WeakPolarHBondContact O-CB 3.26Å; L285-V289 VanDerWaalsContact O-CG2 3.27Å; L285-V289 WeakPolarHBondContact O-CG2 3.01Å; L285-V289 PolarHBondContact O-N 3.45Å; F286-V289 PolarHBondContact O-N 3.31Å; W287-V289 VanDerWaalsContact C-N 3.33Å; W287-V289 PolarHBondContact O-N 2.79Å; V289-S292 PolarHBondContact O-N 2.91Å; V289-I293 HydrophobicContact CG1-CD1 3.56Å; V289-I293 HydrophobicContact CG1-CG1 4.28Å; V289-I293 WeakPolarHBondContact O-CB 3.08Å; V289-I293 VanDerWaalsContact O-CG1 3.26Å; V289-I293 WeakPolarHBondContact O-CG1 3.32Å; V289-I293 PolarHBondContact O-N 3.28Å |
| 290 | Y | 89.7 | Confident | 82.3 | Confident | 42 Ų | 42 | 59 Ų | 59 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.2 | -53 | 177 | 168.8 | -102.5 | 0 | 0 | 0 | 112.1 | L32 I35 F286 W287 S292 I293 M294 | L32-Y290 PolarHBondContact O-OH 3.04Å; I35-Y290 HydrophobicContact CG2-CE1 4.22Å; F286-Y290 WeakPolarHBondContact O-CB 3.38Å; F286-Y290 PolarHBondContact O-N 3.11Å; W287-Y290 AromaticContact CE3-CD1 3.89Å; W287-Y290 HydrophobicContact CE3-CD1 3.89Å; W287-Y290 AromaticContact CZ3-CD1 3.96Å; W287-Y290 HydrophobicContact CZ3-CD1 3.96Å; W287-Y290 HydrophobicContact CZ3-CE1 4.16Å; W287-Y290 PolarHBondContact O-N 3.06Å; Y290-S292 VanDerWaalsContact C-N 3.28Å; Y290-S292 PolarHBondContact O-N 3.2Å; Y290-I293 PolarHBondContact O-N 3.31Å; Y290-M294 HydrophobicContact CD2-CE 4.42Å; Y290-M294 HydrophobicContact CD2-CG 4.1Å; Y290-M294 HydrophobicContact CE1-CG 4.14Å; Y290-M294 HydrophobicContact CE2-CE 4.15Å; Y290-M294 HydrophobicContact CE2-CG 3.66Å; Y290-M294 HydrophobicContact CE2-SD 4.05Å; Y290-M294 WeakPolarHBondContact O-CG 3.26Å; Y290-M294 PolarHBondContact O-N 3.39Å |
| 291 | I | 90.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | -179.1 | -66.4 | 162.3 | 0 | 0 | 0 | 110.2 | A39 T40 L43 L56 W287 M294 H295 | A39-I291 HydrophobicContact CB-CD1 3.97Å; A39-I291 HydrophobicContact CB-CG1 4.07Å; T40-I291 VanDerWaalsContact OG1-CG2 3.29Å; T40-I291 WeakPolarHBondContact OG1-CG2 3.43Å; L43-I291 HydrophobicContact CD1-CD1 3.38Å; L43-I291 HydrophobicContact CG-CD1 4.36Å; L56-I291 HydrophobicContact CD2-CG2 3.79Å; W287-I291 WeakPolarHBondContact O-CB 3.26Å; W287-I291 WeakPolarHBondContact O-CD1 2.98Å; W287-I291 WeakPolarHBondContact O-CG1 3.47Å; W287-I291 PolarHBondContact O-N 2.87Å; I291-M294 PolarHBondContact O-N 3.45Å; I291-H295 PolarHBondContact O-N 3Å; I291-H295 PolarHBondContact O-ND1 3.3Å |
| 292 | S | 87.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 179 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | T59 M288 V289 Y290 M294 H295 V296 | T59-S292 WeakPolarHBondContact CB-OG 3.25Å; T59-S292 WeakPolarHBondContact CG2-OG 3.25Å; T59-S292 WeakPolarHBondContact OG1-CB 3.06Å; T59-S292 PolarHBondContact OG1-OG 2.85Å; M288-S292 VanDerWaalsContact O-CB 3.28Å; M288-S292 WeakPolarHBondContact O-CB 3.38Å; M288-S292 PolarHBondContact O-N 3.07Å; M288-S292 VanDerWaalsContact O-N 3.13Å; M288-S292 PolarHBondContact O-OG 2.95Å; V289-S292 PolarHBondContact O-N 2.91Å; Y290-S292 VanDerWaalsContact C-N 3.28Å; Y290-S292 PolarHBondContact O-N 3.2Å; S292-M294 VanDerWaalsContact C-N 3.29Å; S292-M294 PolarHBondContact O-N 3.43Å; S292-H295 PolarHBondContact O-N 3.42Å; S292-V296 PolarHBondContact O-N 2.87Å |
| 293 | I | 89.9 | Confident | 87.2 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 33% | 0.328 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.4 | -69.6 | 171.9 | 0 | 0 | 0 | 109.8 | I63 V289 Y290 H295 V296 I297 | I63-I293 HydrophobicContact CD1-CG1 3.97Å; V289-I293 HydrophobicContact CG1-CD1 3.56Å; V289-I293 HydrophobicContact CG1-CG1 4.28Å; V289-I293 WeakPolarHBondContact O-CB 3.08Å; V289-I293 VanDerWaalsContact O-CG1 3.26Å; V289-I293 WeakPolarHBondContact O-CG1 3.32Å; V289-I293 PolarHBondContact O-N 3.28Å; Y290-I293 PolarHBondContact O-N 3.31Å; I293-H295 PolarHBondContact O-N 3.42Å; I293-V296 PolarHBondContact O-N 3.43Å; I293-I297 HydrophobicContact CG2-CD1 3.6Å; I293-I297 HydrophobicContact CG2-CG1 4.13Å; I293-I297 WeakPolarHBondContact O-CB 3.48Å; I293-I297 WeakPolarHBondContact O-CG1 3.26Å; I293-I297 PolarHBondContact O-N 3.19Å |
| 294 | M | 93 | Very high | 87.9 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 177.5 | -71.9 | -54.9 | 105.2 | 0 | 0 | 112.4 | L32 Y290 I291 S292 V296 I297 D298 | L32-M294 HydrophobicContact CB-SD 3.76Å; L32-M294 HydrophobicContact CD1-SD 4.23Å; Y290-M294 HydrophobicContact CD2-CE 4.42Å; Y290-M294 HydrophobicContact CD2-CG 4.1Å; Y290-M294 HydrophobicContact CE1-CG 4.14Å; Y290-M294 HydrophobicContact CE2-CE 4.15Å; Y290-M294 HydrophobicContact CE2-CG 3.66Å; Y290-M294 HydrophobicContact CE2-SD 4.05Å; Y290-M294 WeakPolarHBondContact O-CG 3.26Å; Y290-M294 PolarHBondContact O-N 3.39Å; I291-M294 PolarHBondContact O-N 3.45Å; S292-M294 VanDerWaalsContact C-N 3.29Å; S292-M294 PolarHBondContact O-N 3.43Å; M294-V296 VanDerWaalsContact C-N 3.34Å; M294-V296 PolarHBondContact O-N 3.37Å; M294-I297 HydrophobicContact CE-CD1 3.81Å; M294-I297 PolarHBondContact O-N 3.03Å; M294-D298 VanDerWaalsContact O-CB 3.32Å; M294-D298 WeakPolarHBondContact O-CB 3.31Å; M294-D298 PolarHBondContact O-N 3.49Å |
| 295 | H | 89.2 | Confident | 88.4 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 22% | 0.218 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.3 | -78.9 | 77.5 | 0 | 0 | 0 | 112.4 | K33 I291 S292 I293 F299 | K33-H295 PolarHBondContact NZ-CD2 3.49Å; K33-H295 PolarHBondContact NZ-NE2 3.48Å; I291-H295 PolarHBondContact O-N 3Å; I291-H295 PolarHBondContact O-ND1 3.3Å; S292-H295 PolarHBondContact O-N 3.42Å; I293-H295 PolarHBondContact O-N 3.42Å; H295-F299 PolarHBondContact O-N 3Å |
| 296 | V | 90.7 | Very high | 88.5 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70 | -44 | 178.2 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | A60 I63 M64 S292 I293 M294 D298 F299 Y300 | A60-V296 HydrophobicContact CB-CG2 4.46Å; I63-V296 HydrophobicContact CD1-CG2 4.29Å; I63-V296 HydrophobicContact CG2-CG1 3.85Å; M64-V296 HydrophobicContact SD-CG1 4.01Å; S292-V296 PolarHBondContact O-N 2.87Å; I293-V296 PolarHBondContact O-N 3.43Å; M294-V296 VanDerWaalsContact C-N 3.34Å; M294-V296 PolarHBondContact O-N 3.37Å; V296-D298 PolarHBondContact O-N 3.49Å; V296-F299 PolarHBondContact O-N 2.95Å; V296-Y300 HydrophobicContact CG1-CD2 3.75Å; V296-Y300 HydrophobicContact CG1-CE2 3.68Å; V296-Y300 VanDerWaalsContact O-CD2 3.29Å; V296-Y300 WeakPolarHBondContact O-CD2 3.42Å; V296-Y300 PolarHBondContact O-N 2.85Å; V296-Y300 VanDerWaalsContact O-N 3.14Å |
| 297 | I | 91.5 | Very high | 88.2 | Confident | 61 Ų | 61 | 34.9 Ų | 34.9 | 31% | 0.313 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61 | -45.4 | 177.2 | -72.9 | 177.9 | 0 | 0 | 0 | 110.6 | I29 I293 M294 F299 Y300 M301 | I29-I297 HydrophobicContact CG2-CG2 4.45Å; I293-I297 HydrophobicContact CG2-CD1 3.6Å; I293-I297 HydrophobicContact CG2-CG1 4.13Å; I293-I297 WeakPolarHBondContact O-CB 3.48Å; I293-I297 WeakPolarHBondContact O-CG1 3.26Å; I293-I297 PolarHBondContact O-N 3.19Å; M294-I297 HydrophobicContact CE-CD1 3.81Å; M294-I297 PolarHBondContact O-N 3.03Å; I297-F299 VanDerWaalsContact C-N 3.32Å; I297-F299 PolarHBondContact O-N 2.83Å; I297-Y300 PolarHBondContact O-N 3.36Å; I297-M301 HydrophobicContact CG2-CG 3.91Å; I297-M301 VanDerWaalsContact O-CB 3.26Å; I297-M301 WeakPolarHBondContact O-CB 3.33Å; I297-M301 VanDerWaalsContact O-CG 3.26Å; I297-M301 WeakPolarHBondContact O-CG 3.4Å; I297-M301 PolarHBondContact O-N 2.95Å |
| 298 | D | 91.6 | Very high | 88.2 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -44.7 | 179.2 | -172.9 | 65.5 | 0 | 0 | 0 | 111.6 | I29 K30 M294 V296 T302 | I29-D298 HydrophobicContact CG2-CB 4.38Å; K30-D298 WeakPolarHBondContact CE-OD1 3.37Å; K30-D298 VanDerWaalsContact NZ-CG 3.25Å; K30-D298 IonicContact NZ-OD1 3.96Å; K30-D298 PolarHBondContact NZ-OD1 3.21Å; K30-D298 IonicContact NZ-OD2 3.57Å; K30-D298 PolarHBondContact NZ-OD2 2.91Å; M294-D298 VanDerWaalsContact O-CB 3.32Å; M294-D298 WeakPolarHBondContact O-CB 3.31Å; M294-D298 PolarHBondContact O-N 3.49Å; V296-D298 PolarHBondContact O-N 3.49Å; D298-T302 WeakPolarHBondContact O-CB 3.35Å; D298-T302 PolarHBondContact O-N 3.05Å; D298-T302 PolarHBondContact O-OG1 2.94Å; D298-T302 PolarHBondContact OD1-OG1 3.39Å |
| 299 | F | 89.3 | Confident | 87.9 | Confident | 34 Ų | 34 | 40.9 Ų | 40.9 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.5 | -52 | 176.4 | 172.1 | -101.4 | 0 | 0 | 0 | 112.4 | M64 K222 Y225 H295 V296 I297 S303 M401 | M64-F299 HydrophobicContact CE-CD1 4.3Å; M64-F299 HydrophobicContact CE-CE1 3.94Å; K222-F299 HydrophobicContact CG-CE1 4.06Å; K222-F299 HydrophobicContact CG-CZ 4.33Å; Y225-F299 AromaticContact CD2-CE2 3.72Å; Y225-F299 HydrophobicContact CD2-CE2 3.72Å; Y225-F299 AromaticContact CD2-CZ 3.7Å; Y225-F299 HydrophobicContact CD2-CZ 3.7Å; Y225-F299 AromaticContact CE2-CE2 3.94Å; Y225-F299 HydrophobicContact CE2-CE2 3.94Å; Y225-F299 HydrophobicContact CE2-CZ 4.33Å; Y225-F299 HydrophobicContact CG-CE2 4.23Å; Y225-F299 HydrophobicContact CG-CZ 4.17Å; H295-F299 PolarHBondContact O-N 3Å; V296-F299 PolarHBondContact O-N 2.95Å; I297-F299 VanDerWaalsContact C-N 3.32Å; I297-F299 PolarHBondContact O-N 2.83Å; F299-S303 VanDerWaalsContact O-CB 3.27Å; F299-S303 WeakPolarHBondContact O-CB 3.49Å; F299-S303 PolarHBondContact O-N 3.45Å; F299-S303 VanDerWaalsContact O-N 3.14Å; F299-M401 HydrophobicContact CE2-CB 4.32Å |
| 300 | Y | 90.3 | Very high | 87.5 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 13% | 0.129 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -41.4 | -177.5 | -82 | -72.8 | 0 | 0 | 0 | 113.2 | M64 L67 Q68 K222 V296 I297 S303 L304 | M64-Y300 HydrophobicContact CE-CE2 4.16Å; M64-Y300 WeakPolarHBondContact CE-OH 3.27Å; M64-Y300 HydrophobicContact SD-CD2 4.4Å; M64-Y300 HydrophobicContact SD-CE2 3.25Å; M64-Y300 WeakPolarHBondContact SD-CE2 3.48Å; M64-Y300 VanDerWaalsContact SD-CZ 3.51Å; M64-Y300 PolarHBondContact SD-OH 3.04Å; L67-Y300 HydrophobicContact CD2-CE1 4.31Å; L67-Y300 HydrophobicContact CD2-CE2 3.78Å; Q68-Y300 VanDerWaalsContact CG-OH 3.28Å; Q68-Y300 WeakPolarHBondContact CG-OH 3.44Å; Q68-Y300 PolarHBondContact NE2-OH 3.1Å; K222-Y300 HydrophobicContact CD-CD1 4.28Å; K222-Y300 HydrophobicContact CD-CE1 3.82Å; K222-Y300 HydrophobicContact CG-CE1 4Å; V296-Y300 HydrophobicContact CG1-CD2 3.75Å; V296-Y300 HydrophobicContact CG1-CE2 3.68Å; V296-Y300 VanDerWaalsContact O-CD2 3.29Å; V296-Y300 WeakPolarHBondContact O-CD2 3.42Å; V296-Y300 PolarHBondContact O-N 2.85Å; V296-Y300 VanDerWaalsContact O-N 3.14Å; I297-Y300 PolarHBondContact O-N 3.36Å; Y300-S303 WeakPolarHBondContact O-CB 3.31Å; Y300-S303 PolarHBondContact O-N 2.81Å; Y300-L304 WeakPolarHBondContact O-CB 3.22Å; Y300-L304 PolarHBondContact O-N 2.99Å |
| 301 | M | 90.4 | Very high | 87 | Confident | 72 Ų | 72 | 38.4 Ų | 38.4 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75.5 | -40.7 | -176 | -67.2 | -64.3 | 179.4 | 0 | 0 | 111.5 | I29 I297 S303 L304 V305 | I29-M301 HydrophobicContact CD1-CB 3.38Å; I29-M301 HydrophobicContact CD1-CG 3.54Å; I29-M301 HydrophobicContact CD1-SD 4.4Å; I297-M301 HydrophobicContact CG2-CG 3.91Å; I297-M301 VanDerWaalsContact O-CB 3.26Å; I297-M301 WeakPolarHBondContact O-CB 3.33Å; I297-M301 VanDerWaalsContact O-CG 3.26Å; I297-M301 WeakPolarHBondContact O-CG 3.4Å; I297-M301 PolarHBondContact O-N 2.95Å; M301-S303 VanDerWaalsContact C-N 3.26Å; M301-S303 PolarHBondContact O-N 3.3Å; M301-L304 PolarHBondContact O-N 3.27Å; M301-L304 VanDerWaalsContact O-N 3.16Å; M301-V305 WeakPolarHBondContact O-CB 3.11Å; M301-V305 VanDerWaalsContact O-CG2 3.25Å; M301-V305 WeakPolarHBondContact O-CG2 2.97Å; M301-V305 PolarHBondContact O-N 3Å |
| 302 | T | 88.7 | Confident | 86.6 | Confident | 37 Ų | 37 | 40 Ų | 40 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 172.1 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | K30 D298 S306 V314 | K30-T302 PolarHBondContact NZ-OG1 3.22Å; D298-T302 WeakPolarHBondContact O-CB 3.35Å; D298-T302 PolarHBondContact O-N 3.05Å; D298-T302 PolarHBondContact O-OG1 2.94Å; D298-T302 PolarHBondContact OD1-OG1 3.39Å; T302-S306 WeakPolarHBondContact O-CB 3.28Å; T302-S306 PolarHBondContact O-N 3.43Å; T302-V314 HydrophobicContact CG2-CG1 4.21Å |
| 303 | S | 85.4 | Confident | 86.3 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 173.3 | 174.4 | 0 | 0 | 0 | 0 | 112.7 | F299 Y300 M301 G307 A402 | F299-S303 VanDerWaalsContact O-CB 3.27Å; F299-S303 WeakPolarHBondContact O-CB 3.49Å; F299-S303 PolarHBondContact O-N 3.45Å; F299-S303 VanDerWaalsContact O-N 3.14Å; Y300-S303 WeakPolarHBondContact O-CB 3.31Å; Y300-S303 PolarHBondContact O-N 2.81Å; M301-S303 VanDerWaalsContact C-N 3.26Å; M301-S303 PolarHBondContact O-N 3.3Å; S303-G307 PolarHBondContact O-N 3.45Å; S303-G307 VanDerWaalsContact O-N 3.09Å; S303-A402 WeakPolarHBondContact OG-CB 3.4Å |
| 304 | L | 86.7 | Confident | 86.1 | Confident | 72 Ų | 72 | 39.5 Ų | 39.5 | 38% | 0.377 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.9 | -46.8 | 179.9 | -177.4 | 154.9 | 0 | 0 | 0 | 112 | L22 Y300 M301 G307 R308 | L22-L304 HydrophobicContact CD2-CD2 4.16Å; Y300-L304 WeakPolarHBondContact O-CB 3.22Å; Y300-L304 PolarHBondContact O-N 2.99Å; M301-L304 PolarHBondContact O-N 3.27Å; M301-L304 VanDerWaalsContact O-N 3.16Å; L304-G307 PolarHBondContact O-N 2.83Å; L304-R308 PolarHBondContact O-N 2.97Å |
| 305 | V | 87.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69 | -41.2 | -179.1 | -180 | 0 | 0 | 0 | 0 | 110.1 | L22 L26 M301 G307 R308 L309 V314 | L22-V305 HydrophobicContact CD2-CG2 4.35Å; L26-V305 HydrophobicContact CB-CG1 4.4Å; L26-V305 HydrophobicContact CD2-CG1 4.31Å; M301-V305 WeakPolarHBondContact O-CB 3.11Å; M301-V305 VanDerWaalsContact O-CG2 3.25Å; M301-V305 WeakPolarHBondContact O-CG2 2.97Å; M301-V305 PolarHBondContact O-N 3Å; V305-G307 VanDerWaalsContact C-N 3.26Å; V305-G307 PolarHBondContact O-N 2.91Å; V305-R308 PolarHBondContact O-N 3.34Å; V305-L309 HydrophobicContact CG1-CB 4.34Å; V305-L309 HydrophobicContact CG1-CD1 3.4Å; V305-L309 HydrophobicContact CG1-CG 3.82Å; V305-L309 PolarHBondContact O-N 3.19Å; V305-V314 HydrophobicContact CB-CG2 4.44Å; V305-V314 HydrophobicContact CG1-CG2 3.69Å |
| 306 | S | 83.6 | Confident | 85.8 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -34.3 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | T302 R308 G310 L404 | T302-S306 WeakPolarHBondContact O-CB 3.28Å; T302-S306 PolarHBondContact O-N 3.43Å; S306-R308 PolarHBondContact O-N 3.4Å; S306-G310 WeakPolarHBondContact O-CA 3.29Å; S306-G310 PolarHBondContact O-N 3.02Å; S306-L404 WeakPolarHBondContact OG-CD1 3Å |
| 307 | G | 79.6 | Confident | 85.7 | Confident | 52 Ų | 52 | 41.8 Ų | 41.8 | 54% | 0.536 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.5 | -18.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S303 L304 V305 | S303-G307 PolarHBondContact O-N 3.45Å; S303-G307 VanDerWaalsContact O-N 3.09Å; L304-G307 PolarHBondContact O-N 2.83Å; V305-G307 VanDerWaalsContact C-N 3.26Å; V305-G307 PolarHBondContact O-N 2.91Å |
| 308 | R | 83.8 | Confident | 85.7 | Confident | 162 Ų | 162 | 39.5 Ų | 39.5 | 61% | 0.611 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -109.1 | -41.9 | -176.8 | -67.5 | -172 | 178.6 | 156.1 | 1.6 | 114.4 | L22 L304 V305 S306 | L22-R308 HydrophobicContact CD1-CB 4.04Å; L304-R308 PolarHBondContact O-N 2.97Å; V305-R308 PolarHBondContact O-N 3.34Å; S306-R308 PolarHBondContact O-N 3.4Å |
| 309 | L | 79 | Confident | 85.8 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -91.2 | -17 | -178.8 | -64.1 | -173 | 0 | 0 | 0 | 113.1 | M19 L22 L23 V305 V314 | M19-L309 HydrophobicContact CB-CD2 4.22Å; M19-L309 HydrophobicContact CE-CD2 3.3Å; M19-L309 HydrophobicContact CG-CD2 4.36Å; M19-L309 HydrophobicContact SD-CD2 3.4Å; M19-L309 WeakPolarHBondContact SD-CD2 3.43Å; L22-L309 HydrophobicContact CB-CD1 4.26Å; L22-L309 HydrophobicContact CB-CD2 4.47Å; L22-L309 HydrophobicContact CB-CG 4.45Å; L22-L309 HydrophobicContact CD1-CD2 4.44Å; L23-L309 HydrophobicContact CD2-CD1 3.54Å; L23-L309 HydrophobicContact CG-CD1 4.11Å; V305-L309 HydrophobicContact CG1-CB 4.34Å; V305-L309 HydrophobicContact CG1-CD1 3.4Å; V305-L309 HydrophobicContact CG1-CG 3.82Å; V305-L309 PolarHBondContact O-N 3.19Å; L309-V314 HydrophobicContact CB-CG2 3.92Å; L309-V314 HydrophobicContact CD1-CG2 4.35Å |
| 310 | G | 79.1 | Confident | 85.9 | Confident | 31 Ų | 31 | 41 Ų | 41 | 32% | 0.32 | 23% | 0.227 | S | C | . | . | trans | 87.2 | 146.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S306 Q312 V314 | S306-G310 WeakPolarHBondContact O-CA 3.29Å; S306-G310 PolarHBondContact O-N 3.02Å; G310-Q312 VanDerWaalsContact C-N 3.29Å; G310-Q312 PolarHBondContact O-N 3.27Å; G310-V314 WeakPolarHBondContact O-CG2 3.31Å; G310-V314 PolarHBondContact O-N 2.8Å | ||
| 311 | A | 79.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 40.4 Ų | 40.4 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.5 | -31 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L119 T315 L406 | L119-A311 HydrophobicContact CD2-CB 4.42Å; A311-T315 VanDerWaalsContact O-CB 3.32Å; A311-T315 WeakPolarHBondContact O-CB 3.41Å; A311-T315 PolarHBondContact O-N 3.48Å; A311-T315 PolarHBondContact O-OG1 3.16Å; A311-L406 HydrophobicContact CB-CD2 3.54Å |
| 312 | Q | 81.5 | Confident | 86.3 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -52 | -177.7 | -70.6 | 153.1 | -23.3 | 0 | 0 | 111.8 | L119 G310 V314 T315 R316 D382 F407 | L119-Q312 HydrophobicContact CD2-CB 4.39Å; L119-Q312 HydrophobicContact CD2-CG 3.72Å; G310-Q312 VanDerWaalsContact C-N 3.29Å; G310-Q312 PolarHBondContact O-N 3.27Å; Q312-V314 VanDerWaalsContact C-N 3.32Å; Q312-V314 PolarHBondContact O-N 3.34Å; Q312-T315 PolarHBondContact O-N 2.74Å; Q312-R316 PolarHBondContact O-N 3.34Å; Q312-D382 PolarHBondContact NE2-OD1 3.29Å; Q312-D382 PolarHBondContact OE1-OD1 2.93Å; Q312-D382 PolarHBondContact OE1-OD2 3.49Å; Q312-F407 PolarHBondContact NE2-O 2.88Å |
| 313 | S | 82.1 | Confident | 86.5 | Confident | 51 Ų | 51 | 35.4 Ų | 35.4 | 36% | 0.357 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 177 | -57.1 | 0 | 0 | 0 | 0 | 112 | R316 L317 | S313-R316 PolarHBondContact O-N 3.29Å; S313-L317 PolarHBondContact O-N 2.67Å |
| 314 | V | 86.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 175.9 | 173 | 0 | 0 | 0 | 0 | 111.2 | L26 T302 V305 L309 G310 Q312 R316 A318 | L26-V314 HydrophobicContact CD1-CG1 4.29Å; L26-V314 HydrophobicContact CD2-CB 4.36Å; L26-V314 HydrophobicContact CD2-CG1 3.93Å; L26-V314 HydrophobicContact CD2-CG2 4.32Å; T302-V314 HydrophobicContact CG2-CG1 4.21Å; V305-V314 HydrophobicContact CB-CG2 4.44Å; V305-V314 HydrophobicContact CG1-CG2 3.69Å; L309-V314 HydrophobicContact CB-CG2 3.92Å; L309-V314 HydrophobicContact CD1-CG2 4.35Å; G310-V314 WeakPolarHBondContact O-CG2 3.31Å; G310-V314 PolarHBondContact O-N 2.8Å; Q312-V314 VanDerWaalsContact C-N 3.32Å; Q312-V314 PolarHBondContact O-N 3.34Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 3.25Å; V314-A318 WeakPolarHBondContact O-CB 2.94Å; V314-A318 PolarHBondContact O-N 2.71Å |
| 315 | T | 87.8 | Confident | 87.2 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 178.9 | -62 | 0 | 0 | 0 | 0 | 111.4 | S117 L120 A311 Q312 K319 T380 | S117-T315 WeakPolarHBondContact CB-OG1 3.34Å; S117-T315 PolarHBondContact OG-OG1 3.14Å; L120-T315 HydrophobicContact CB-CG2 4.26Å; A311-T315 VanDerWaalsContact O-CB 3.32Å; A311-T315 WeakPolarHBondContact O-CB 3.41Å; A311-T315 PolarHBondContact O-N 3.48Å; A311-T315 PolarHBondContact O-OG1 3.16Å; Q312-T315 PolarHBondContact O-N 2.74Å; T315-K319 WeakPolarHBondContact O-CB 3.45Å; T315-K319 PolarHBondContact O-N 2.81Å; T315-T380 HydrophobicContact CG2-CG2 3.65Å |
| 316 | R | 86.7 | Confident | 87.4 | Confident | 82 Ų | 82 | 35.6 Ų | 35.6 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.5 | -50.9 | -179.1 | -165.6 | -176 | -52.3 | 156.5 | 14.6 | 111.9 | Q312 S313 V314 L320 D377 T380 | Q312-R316 PolarHBondContact O-N 3.34Å; S313-R316 PolarHBondContact O-N 3.29Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 3.25Å; R316-L320 WeakPolarHBondContact O-CB 3.44Å; R316-L320 PolarHBondContact O-N 3.12Å; R316-L320 VanDerWaalsContact O-N 3.14Å; R316-D377 WeakPolarHBondContact CD-OD1 3.26Å; R316-D377 IonicContact NE-OD1 3.82Å; R316-T380 PolarHBondContact NE-OG1 3.46Å; R316-T380 PolarHBondContact NH2-O 3.01Å |
| 317 | L | 88.7 | Confident | 87.7 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.2 | -46.2 | -179.3 | -179.3 | 60.6 | 0 | 0 | 0 | 111.2 | L23 L26 S313 K319 L320 T321 | L23-L317 HydrophobicContact CB-CD2 3.97Å; L23-L317 HydrophobicContact CD2-CD2 3.43Å; L23-L317 VanDerWaalsContact CD2-CD2 3.43Å; L23-L317 HydrophobicContact CG-CD2 4.29Å; L26-L317 HydrophobicContact CD2-CB 4.34Å; L26-L317 HydrophobicContact CD2-CD2 4.07Å; L26-L317 HydrophobicContact CD2-CG 4.33Å; S313-L317 PolarHBondContact O-N 2.67Å; L317-K319 VanDerWaalsContact C-N 3.35Å; L317-K319 PolarHBondContact O-N 2.94Å; L317-L320 PolarHBondContact O-N 2.91Å; L317-T321 PolarHBondContact O-N 3.36Å; L317-T321 PolarHBondContact O-OG1 3.37Å |
| 318 | A | 92.1 | Very high | 88.2 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K30 V314 L320 T321 V322 | K30-A318 HydrophobicContact CD-CB 4.37Å; K30-A318 HydrophobicContact CG-CB 4.12Å; V314-A318 WeakPolarHBondContact O-CB 2.94Å; V314-A318 PolarHBondContact O-N 2.71Å; A318-L320 PolarHBondContact O-N 3.06Å; A318-T321 PolarHBondContact O-N 2.88Å; A318-V322 WeakPolarHBondContact O-CB 3.15Å; A318-V322 VanDerWaalsContact O-CG2 3.22Å; A318-V322 WeakPolarHBondContact O-CG2 3.4Å; A318-V322 PolarHBondContact O-N 3.47Å |
| 319 | K | 92.8 | Very high | 88.3 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | -179.7 | -171.2 | 59.7 | 177.4 | -174 | 0 | 111.8 | I111 L112 E115 H116 T315 L317 V323 L373 | I111-K319 PolarHBondContact O-NZ 2.9Å; L112-K319 PolarHBondContact O-NZ 2.74Å; E115-K319 WeakPolarHBondContact O-CD 3.43Å; E115-K319 PolarHBondContact O-NZ 3.44Å; H116-K319 WeakPolarHBondContact CE1-CE 3.35Å; H116-K319 PolarHBondContact CE1-NZ 3.14Å; H116-K319 WeakPolarHBondContact ND1-CE 3.42Å; H116-K319 PolarHBondContact ND1-NZ 3.28Å; T315-K319 WeakPolarHBondContact O-CB 3.45Å; T315-K319 PolarHBondContact O-N 2.81Å; L317-K319 VanDerWaalsContact C-N 3.35Å; L317-K319 PolarHBondContact O-N 2.94Å; K319-V323 HydrophobicContact CD-CG2 3.86Å; K319-V323 HydrophobicContact CG-CG2 4.27Å; K319-V323 WeakPolarHBondContact O-CB 3.49Å; K319-V323 VanDerWaalsContact O-CG2 3.23Å; K319-V323 WeakPolarHBondContact O-CG2 3.39Å; K319-V323 PolarHBondContact O-N 2.85Å; K319-V323 VanDerWaalsContact O-N 3.09Å; K319-L373 HydrophobicContact CG-CD2 4.42Å |
| 320 | L | 92.4 | Very high | 88.5 | Confident | 81 Ų | 81 | 33.8 Ų | 33.8 | 42% | 0.424 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 175.5 | -174.7 | 71.8 | 0 | 0 | 0 | 111.1 | R316 L317 A318 I324 L373 | R316-L320 WeakPolarHBondContact O-CB 3.44Å; R316-L320 PolarHBondContact O-N 3.12Å; R316-L320 VanDerWaalsContact O-N 3.14Å; L317-L320 PolarHBondContact O-N 2.91Å; A318-L320 PolarHBondContact O-N 3.06Å; L320-I324 HydrophobicContact CD1-CD1 3.74Å; L320-I324 HydrophobicContact CD1-CG1 4.44Å; L320-I324 HydrophobicContact CG-CD1 3.79Å; L320-I324 WeakPolarHBondContact O-CB 3.42Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.05Å; L320-I324 PolarHBondContact O-N 3.09Å; L320-L373 HydrophobicContact CD1-CD2 4.28Å |
| 321 | T | 93.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 37 Ų | 37 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -52 | -179.5 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | A27 K30 L317 A318 V323 I324 T325 | A27-T321 HydrophobicContact CB-CG2 4.21Å; K30-T321 HydrophobicContact CB-CG2 4.06Å; L317-T321 PolarHBondContact O-N 3.36Å; L317-T321 PolarHBondContact O-OG1 3.37Å; A318-T321 PolarHBondContact O-N 2.88Å; T321-V323 VanDerWaalsContact C-N 3.32Å; T321-V323 PolarHBondContact O-N 3.48Å; T321-I324 PolarHBondContact O-N 3.32Å; T321-T325 VanDerWaalsContact O-CB 3.26Å; T321-T325 WeakPolarHBondContact O-CB 3.37Å; T321-T325 PolarHBondContact O-N 3.46Å; T321-T325 PolarHBondContact O-OG1 3.31Å |
| 322 | V | 95.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | -176.2 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | K30 V34 I111 E115 A318 S326 | K30-V322 HydrophobicContact CB-CG2 3.66Å; K30-V322 HydrophobicContact CD-CG2 3.79Å; K30-V322 HydrophobicContact CG-CG2 3.94Å; V34-V322 HydrophobicContact CG2-CB 4.18Å; V34-V322 HydrophobicContact CG2-CG1 3.53Å; I111-V322 HydrophobicContact CB-CG1 4.37Å; I111-V322 HydrophobicContact CG1-CG1 4.22Å; I111-V322 HydrophobicContact CG2-CG1 3.39Å; E115-V322 HydrophobicContact CB-CG1 4.25Å; E115-V322 HydrophobicContact CG-CG1 4.47Å; A318-V322 WeakPolarHBondContact O-CB 3.15Å; A318-V322 VanDerWaalsContact O-CG2 3.22Å; A318-V322 WeakPolarHBondContact O-CG2 3.4Å; A318-V322 PolarHBondContact O-N 3.47Å; V322-S326 WeakPolarHBondContact O-CB 3.29Å; V322-S326 PolarHBondContact O-N 3.49Å |
| 323 | V | 93.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.1 | -46.5 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | L112 K319 T321 S326 L327 V369 L373 | L112-V323 HydrophobicContact CD1-CG2 4.28Å; K319-V323 HydrophobicContact CD-CG2 3.86Å; K319-V323 HydrophobicContact CG-CG2 4.27Å; K319-V323 WeakPolarHBondContact O-CB 3.49Å; K319-V323 VanDerWaalsContact O-CG2 3.23Å; K319-V323 WeakPolarHBondContact O-CG2 3.39Å; K319-V323 PolarHBondContact O-N 2.85Å; K319-V323 VanDerWaalsContact O-N 3.09Å; T321-V323 VanDerWaalsContact C-N 3.32Å; T321-V323 PolarHBondContact O-N 3.48Å; V323-S326 PolarHBondContact O-N 2.99Å; V323-L327 WeakPolarHBondContact O-CB 3.37Å; V323-L327 PolarHBondContact O-N 3.44Å; V323-V369 HydrophobicContact CG1-CG1 3.76Å; V323-V369 HydrophobicContact CG1-CG2 4.5Å; V323-L373 HydrophobicContact CB-CD2 4.05Å; V323-L373 HydrophobicContact CG1-CD1 4.02Å; V323-L373 HydrophobicContact CG1-CD2 4.18Å; V323-L373 HydrophobicContact CG1-CG 4.19Å; V323-L373 HydrophobicContact CG2-CD2 4.14Å |
| 324 | I | 92.6 | Very high | 86.9 | Confident | 77 Ų | 77 | 44 Ų | 44 | 40% | 0.395 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.8 | -46.3 | 178.8 | -69.1 | 174 | 0 | 0 | 0 | 110.4 | L320 T321 S326 L327 I328 | L320-I324 HydrophobicContact CD1-CD1 3.74Å; L320-I324 HydrophobicContact CD1-CG1 4.44Å; L320-I324 HydrophobicContact CG-CD1 3.79Å; L320-I324 WeakPolarHBondContact O-CB 3.42Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.05Å; L320-I324 PolarHBondContact O-N 3.09Å; T321-I324 PolarHBondContact O-N 3.32Å; I324-S326 VanDerWaalsContact C-N 3.34Å; I324-S326 PolarHBondContact O-N 2.93Å; I324-L327 PolarHBondContact O-N 2.64Å; I324-I328 HydrophobicContact CG2-CD1 3.86Å; I324-I328 WeakPolarHBondContact O-CG1 3.23Å; I324-I328 PolarHBondContact O-N 3.01Å |
| 325 | T | 92.9 | Very high | 85.2 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 177 | -65 | 0 | 0 | 0 | 0 | 111 | L31 V34 T321 L327 I328 F329 | L31-T325 HydrophobicContact CB-CG2 4.49Å; L31-T325 HydrophobicContact CD1-CG2 3.23Å; L31-T325 HydrophobicContact CG-CG2 4.4Å; V34-T325 HydrophobicContact CB-CG2 3.81Å; V34-T325 HydrophobicContact CG1-CG2 3.8Å; V34-T325 HydrophobicContact CG2-CG2 4.03Å; T321-T325 VanDerWaalsContact O-CB 3.26Å; T321-T325 WeakPolarHBondContact O-CB 3.37Å; T321-T325 PolarHBondContact O-N 3.46Å; T321-T325 PolarHBondContact O-OG1 3.31Å; T325-L327 VanDerWaalsContact C-N 3.33Å; T325-L327 PolarHBondContact O-N 3.33Å; T325-I328 PolarHBondContact O-N 3.32Å; T325-F329 HydrophobicContact CG2-CD2 3.84Å; T325-F329 HydrophobicContact CG2-CE2 4.13Å; T325-F329 WeakPolarHBondContact O-CB 3.34Å; T325-F329 WeakPolarHBondContact O-CD2 3.45Å; T325-F329 PolarHBondContact O-N 3.14Å |
| 326 | S | 92.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.8 | -33.2 | -179.8 | -163.6 | 0 | 0 | 0 | 0 | 112.9 | Y38 F108 I111 V322 V323 I324 F329 S330 | Y38-S326 PolarHBondContact OH-O 2.82Å; Y38-S326 PolarHBondContact OH-OG 2.68Å; F108-S326 WeakPolarHBondContact CD2-OG 3.32Å; I111-S326 WeakPolarHBondContact CD1-OG 3.42Å; V322-S326 WeakPolarHBondContact O-CB 3.29Å; V322-S326 PolarHBondContact O-N 3.49Å; V323-S326 PolarHBondContact O-N 2.99Å; I324-S326 VanDerWaalsContact C-N 3.34Å; I324-S326 PolarHBondContact O-N 2.93Å; S326-F329 PolarHBondContact O-N 3.04Å; S326-S330 VanDerWaalsContact O-CB 3.26Å; S326-S330 WeakPolarHBondContact O-CB 3.47Å; S326-S330 PolarHBondContact O-N 2.9Å |
| 327 | L | 89.7 | Confident | 81.1 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 172.4 | 178.4 | 63.2 | 0 | 0 | 0 | 110.6 | F108 V323 I324 T325 F329 S330 L331 M361 | F108-L327 HydrophobicContact CE2-CB 4.12Å; F108-L327 HydrophobicContact CE2-CD1 4.45Å; F108-L327 HydrophobicContact CZ-CB 4.44Å; F108-L327 HydrophobicContact CZ-CD1 3.98Å; V323-L327 WeakPolarHBondContact O-CB 3.37Å; V323-L327 PolarHBondContact O-N 3.44Å; I324-L327 PolarHBondContact O-N 2.64Å; T325-L327 VanDerWaalsContact C-N 3.33Å; T325-L327 PolarHBondContact O-N 3.33Å; L327-F329 PolarHBondContact O-N 2.94Å; L327-S330 PolarHBondContact O-N 2.72Å; L327-L331 HydrophobicContact CG-CD1 4.5Å; L327-L331 WeakPolarHBondContact O-CG 3.32Å; L327-L331 PolarHBondContact O-N 3Å; L327-L331 VanDerWaalsContact O-N 3.11Å; L327-M361 HydrophobicContact CD1-CE 3.59Å; L327-M361 HydrophobicContact CD1-SD 3.72Å |
| 328 | I | 88.9 | Confident | 78.6 | Confident | 86 Ų | 86 | 52.7 Ų | 52.7 | 44% | 0.441 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 176.2 | -68 | 166.8 | 0 | 0 | 0 | 110.6 | I324 T325 S330 L331 L332 | I324-I328 HydrophobicContact CG2-CD1 3.86Å; I324-I328 WeakPolarHBondContact O-CG1 3.23Å; I324-I328 PolarHBondContact O-N 3.01Å; T325-I328 PolarHBondContact O-N 3.32Å; I328-S330 PolarHBondContact O-N 2.85Å; I328-L331 PolarHBondContact O-N 3.35Å; I328-L332 HydrophobicContact CG2-CD1 3.52Å; I328-L332 HydrophobicContact CG2-CG 4.23Å; I328-L332 WeakPolarHBondContact O-CB 3.25Å; I328-L332 WeakPolarHBondContact O-CG 3.25Å; I328-L332 PolarHBondContact O-N 2.99Å |
| 329 | F | 85.8 | Confident | 76.1 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 19% | 0.193 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.9 | -97.4 | -100.4 | 0 | 0 | 0 | 111.7 | L31 I35 Y38 T325 S326 L327 L331 L332 W333 | L31-F329 HydrophobicContact CD1-CE2 4.18Å; I35-F329 HydrophobicContact CD1-CE2 4.47Å; I35-F329 HydrophobicContact CD1-CZ 3.86Å; I35-F329 HydrophobicContact CG1-CE1 3.85Å; I35-F329 HydrophobicContact CG1-CE2 4.08Å; I35-F329 HydrophobicContact CG1-CZ 3.45Å; I35-F329 VanDerWaalsContact CG1-CZ 3.45Å; Y38-F329 HydrophobicContact CE1-CB 4.33Å; Y38-F329 HydrophobicContact CE2-CB 4.09Å; T325-F329 HydrophobicContact CG2-CD2 3.84Å; T325-F329 HydrophobicContact CG2-CE2 4.13Å; T325-F329 WeakPolarHBondContact O-CB 3.34Å; T325-F329 WeakPolarHBondContact O-CD2 3.45Å; T325-F329 PolarHBondContact O-N 3.14Å; S326-F329 PolarHBondContact O-N 3.04Å; L327-F329 PolarHBondContact O-N 2.94Å; F329-L331 PolarHBondContact O-N 3.29Å; F329-L332 PolarHBondContact O-N 3.01Å; F329-W333 AromaticContact CD1-CE3 3.95Å; F329-W333 HydrophobicContact CD1-CE3 3.95Å; F329-W333 HydrophobicContact CD1-CZ3 4.41Å; F329-W333 HydrophobicContact CE1-CE3 4.23Å; F329-W333 HydrophobicContact CE1-CZ3 4.32Å; F329-W333 WeakPolarHBondContact O-CA 3.29Å; F329-W333 WeakPolarHBondContact O-CB 3.46Å; F329-W333 PolarHBondContact O-N 3.04Å |
| 330 | S | 83.5 | Confident | 73.7 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -30.9 | 178.7 | -170.4 | 0 | 0 | 0 | 0 | 112.9 | Y38 S326 L327 I328 S334 M361 | Y38-S330 WeakPolarHBondContact OH-CB 3.37Å; Y38-S330 PolarHBondContact OH-N 2.9Å; S326-S330 VanDerWaalsContact O-CB 3.26Å; S326-S330 WeakPolarHBondContact O-CB 3.47Å; S326-S330 PolarHBondContact O-N 2.9Å; L327-S330 PolarHBondContact O-N 2.72Å; I328-S330 PolarHBondContact O-N 2.85Å; S330-S334 WeakPolarHBondContact O-CB 3.42Å; S330-M361 WeakPolarHBondContact OG-CE 3.42Å |
| 331 | L | 81.7 | Confident | 71.3 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 52% | 0.518 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77.1 | -44.1 | 175.6 | -65.4 | 170.5 | 0 | 0 | 0 | 112 | L327 I328 F329 S335 | L327-L331 HydrophobicContact CG-CD1 4.5Å; L327-L331 WeakPolarHBondContact O-CG 3.32Å; L327-L331 PolarHBondContact O-N 3Å; L327-L331 VanDerWaalsContact O-N 3.11Å; I328-L331 PolarHBondContact O-N 3.35Å; F329-L331 PolarHBondContact O-N 3.29Å; L331-S335 PolarHBondContact O-OG 3.42Å |
| 332 | L | 77.5 | Confident | 68.6 | Low | 112 Ų | 112 | 66.8 Ų | 66.8 | 59% | 0.586 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -73.1 | -43 | -179.2 | -68.4 | 173.2 | 0 | 0 | 0 | 112.2 | I328 F329 S334 S335 S336 | I328-L332 HydrophobicContact CG2-CD1 3.52Å; I328-L332 HydrophobicContact CG2-CG 4.23Å; I328-L332 WeakPolarHBondContact O-CB 3.25Å; I328-L332 WeakPolarHBondContact O-CG 3.25Å; I328-L332 PolarHBondContact O-N 2.99Å; F329-L332 PolarHBondContact O-N 3.01Å; L332-S334 PolarHBondContact O-N 3.42Å; L332-S335 PolarHBondContact O-N 2.83Å; L332-S335 VanDerWaalsContact O-N 3.12Å; L332-S336 WeakPolarHBondContact O-CB 3.26Å; L332-S336 PolarHBondContact O-N 3.31Å |
| 333 | W | 69.2 | Low | 66.3 | Low | 38 Ų | 38 | 67.8 Ų | 67.8 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.6 | -34.9 | -177.7 | -163 | -76.8 | 0 | 0 | 0 | 112.1 | Y38 E42 F329 S335 V339 V343 | Y38-W333 AromaticContact CD1-CD2 4Å; Y38-W333 HydrophobicContact CD1-CD2 4Å; Y38-W333 HydrophobicContact CD1-CE3 4.22Å; Y38-W333 HydrophobicContact CD1-CG 4.17Å; Y38-W333 HydrophobicContact CE1-CB 4.4Å; Y38-W333 HydrophobicContact CE1-CG 4.37Å; E42-W333 HydrophobicContact CG-CZ2 3.71Å; E42-W333 PolarHBondContact OE1-NE1 3.1Å; F329-W333 AromaticContact CD1-CE3 3.95Å; F329-W333 HydrophobicContact CD1-CE3 3.95Å; F329-W333 HydrophobicContact CD1-CZ3 4.41Å; F329-W333 HydrophobicContact CE1-CE3 4.23Å; F329-W333 HydrophobicContact CE1-CZ3 4.32Å; F329-W333 WeakPolarHBondContact O-CA 3.29Å; F329-W333 WeakPolarHBondContact O-CB 3.46Å; F329-W333 PolarHBondContact O-N 3.04Å; W333-S335 PolarHBondContact O-N 3.11Å; W333-V339 HydrophobicContact CD2-CG1 4.38Å; W333-V339 HydrophobicContact CE3-CG1 3.85Å; W333-V339 HydrophobicContact CH2-CG1 3.47Å; W333-V339 VanDerWaalsContact CH2-CG1 3.47Å; W333-V339 HydrophobicContact CZ2-CG1 4.02Å; W333-V339 HydrophobicContact CZ3-CG1 3.38Å; W333-V343 HydrophobicContact CH2-CG2 4.16Å |
| 334 | S | 61.4 | Low | 63.8 | Low | 103 Ų | 103 | 70 Ų | 70 | 72% | 0.72 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.6 | 174.1 | -172.9 | 0 | 0 | 0 | 0 | 113.2 | S330 L332 | S330-S334 WeakPolarHBondContact O-CB 3.42Å; L332-S334 PolarHBondContact O-N 3.42Å |
| 335 | S | 50.3 | Low | 61.3 | Low | 100 Ų | 100 | 70.6 Ų | 70.6 | 70% | 0.699 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -11.2 | -173.1 | -53.7 | 0 | 0 | 0 | 0 | 113.6 | L331 L332 W333 | L331-S335 PolarHBondContact O-OG 3.42Å; L332-S335 PolarHBondContact O-N 2.83Å; L332-S335 VanDerWaalsContact O-N 3.12Å; W333-S335 PolarHBondContact O-N 3.11Å |
| 336 | S | 45.6 | Very low | 58.4 | Low | 38 Ų | 38 | 76.3 Ų | 76.3 | 27% | 0.266 | 41% | 0.414 | S | S | . | . | trans | -115.1 | 92.1 | -165.9 | -147.4 | 0 | 0 | 0 | 0 | 112.2 | L332 S338 V339 | L332-S336 WeakPolarHBondContact O-CB 3.26Å; L332-S336 PolarHBondContact O-N 3.31Å; S336-S338 PolarHBondContact O-N 3.23Å; S336-S338 PolarHBondContact OG-OG 3.01Å; S336-V339 PolarHBondContact O-N 3.37Å; S336-V339 VanDerWaalsContact O-N 3.15Å | ||
| 337 | D | 42.8 | Very low | 55.7 | Low | 129 Ų | 129 | 84.1 Ų | 84.1 | 69% | 0.69 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -50.5 | -27.6 | 165.9 | -69.7 | -34.5 | 0 | 0 | 0 | 111.8 | Q341 | D337-Q341 PolarHBondContact O-N 2.86Å |
| 338 | S | 36.4 | Very low | 53.1 | Low | 58 Ų | 58 | 88.5 Ų | 88.5 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.6 | -30.6 | -179.2 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | S336 F342 | S336-S338 PolarHBondContact O-N 3.23Å; S336-S338 PolarHBondContact OG-OG 3.01Å; S338-F342 VanDerWaalsContact O-CD2 3.25Å; S338-F342 WeakPolarHBondContact O-CD2 3.41Å; S338-F342 PolarHBondContact O-N 3.1Å |
| 339 | V | 39.9 | Very low | 50.6 | Low | 48 Ų | 48 | 91.6 Ų | 91.6 | 29% | 0.291 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -86 | -33.8 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | W333 S336 Q341 F342 V343 | W333-V339 HydrophobicContact CD2-CG1 4.38Å; W333-V339 HydrophobicContact CE3-CG1 3.85Å; W333-V339 HydrophobicContact CH2-CG1 3.47Å; W333-V339 VanDerWaalsContact CH2-CG1 3.47Å; W333-V339 HydrophobicContact CZ2-CG1 4.02Å; W333-V339 HydrophobicContact CZ3-CG1 3.38Å; S336-V339 PolarHBondContact O-N 3.37Å; S336-V339 VanDerWaalsContact O-N 3.15Å; V339-Q341 VanDerWaalsContact C-N 3.26Å; V339-Q341 PolarHBondContact O-N 3.3Å; V339-F342 PolarHBondContact O-N 2.74Å; V339-F342 VanDerWaalsContact O-N 3.16Å; V339-V343 PolarHBondContact O-N 2.95Å |
| 340 | E | 42.8 | Very low | 48.1 | Very low | 49 Ų | 49 | 94.9 Ų | 94.9 | 23% | 0.229 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -53.2 | -48.1 | 162.7 | -86.6 | -173.1 | 169.2 | 0 | 0 | 108.3 | F342 V343 S344 K358 | E340-F342 PolarHBondContact O-N 3.11Å; E340-V343 PolarHBondContact O-N 3.33Å; E340-S344 VanDerWaalsContact O-CA 3.26Å; E340-S344 WeakPolarHBondContact O-CA 3.33Å; E340-S344 WeakPolarHBondContact O-CB 3.47Å; E340-S344 PolarHBondContact O-N 3.47Å; E340-S344 PolarHBondContact O-OG 3.08Å; E340-K358 WeakPolarHBondContact OE1-CE 3.06Å; E340-K358 IonicContact OE1-NZ 3.17Å; E340-K358 PolarHBondContact OE1-NZ 2.94Å; E340-K358 IonicContact OE2-NZ 3.87Å |
| 341 | Q | 40.7 | Very low | 45.9 | Very low | 143 Ų | 143 | 102.5 Ų | 102.5 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61 | -32 | 175 | -99.4 | -178.5 | -18.4 | 0 | 0 | 116.2 | D337 V339 S344 | D337-Q341 PolarHBondContact O-N 2.86Å; V339-Q341 VanDerWaalsContact C-N 3.26Å; V339-Q341 PolarHBondContact O-N 3.3Å; Q341-S344 VanDerWaalsContact O-O 3.04Å |
| 342 | F | 37.9 | Very low | 43.7 | Very low | 176 Ų | 176 | 102.3 Ų | 102.3 | 77% | 0.772 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -77.3 | -23.2 | -179.8 | -95.5 | -75.3 | 0 | 0 | 0 | 113.7 | S338 V339 E340 | S338-F342 VanDerWaalsContact O-CD2 3.25Å; S338-F342 WeakPolarHBondContact O-CD2 3.41Å; S338-F342 PolarHBondContact O-N 3.1Å; V339-F342 PolarHBondContact O-N 2.74Å; V339-F342 VanDerWaalsContact O-N 3.16Å; E340-F342 PolarHBondContact O-N 3.11Å |
| 343 | V | 47.1 | Very low | 41.6 | Very low | 25 Ų | 25 | 101.4 Ų | 101.4 | 15% | 0.152 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -107.8 | -32.9 | 179 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | E42 W287 W333 V339 E340 | E42-V343 HydrophobicContact CB-CG1 3.75Å; E42-V343 HydrophobicContact CG-CG1 4.07Å; W287-V343 HydrophobicContact CH2-CG2 4.28Å; W287-V343 HydrophobicContact CZ2-CG2 3.75Å; W333-V343 HydrophobicContact CH2-CG2 4.16Å; V339-V343 PolarHBondContact O-N 2.95Å; E340-V343 PolarHBondContact O-N 3.33Å |
| 344 | S | 40.8 | Very low | 40.4 | Very low | 48 Ų | 48 | 104.1 Ų | 104.1 | 34% | 0.336 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -93 | 132.9 | 179.6 | 78.9 | 0 | 0 | 0 | 0 | 110.7 | E340 Q341 | E340-S344 VanDerWaalsContact O-CA 3.26Å; E340-S344 WeakPolarHBondContact O-CA 3.33Å; E340-S344 WeakPolarHBondContact O-CB 3.47Å; E340-S344 PolarHBondContact O-N 3.47Å; E340-S344 PolarHBondContact O-OG 3.08Å; Q341-S344 VanDerWaalsContact O-O 3.04Å |
| 345 | F | 38.7 | Very low | 39.9 | Very low | 89 Ų | 89 | 104.5 Ų | 104.5 | 39% | 0.39 | 55% | 0.548 | S | S | . | . | trans | -56.2 | 133.5 | 176.1 | -101.9 | -87.6 | 0 | 0 | 0 | 111.6 | P280 R347 | P280-F345 HydrophobicContact CB-CD1 4.11Å; P280-F345 HydrophobicContact CB-CE1 3.56Å; P280-F345 HydrophobicContact CB-CE2 4.27Å; P280-F345 HydrophobicContact CB-CZ 3.74Å; P280-F345 HydrophobicContact CG-CD1 4.44Å; P280-F345 HydrophobicContact CG-CE1 3.96Å; P280-F345 WeakPolarHBondContact O-CE2 3.44Å; P280-F345 VanDerWaalsContact O-CZ 3.3Å; P280-F345 WeakPolarHBondContact O-CZ 3.05Å; F345-R347 PolarHBondContact O-N 2.85Å | ||
| 346 | D | 32.5 | Very low | 39.9 | Very low | 135 Ų | 135 | 100.8 Ų | 100.8 | 72% | 0.722 | 52% | 0.521 | S | S | * | . | trans | -43.8 | 111.7 | 169.3 | -169.8 | 12.7 | 0 | 0 | 0 | 110.7 | ||||
| 347 | R | 36.9 | Very low | 40.2 | Very low | 165 Ų | 165 | 101 Ų | 101 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | trans | -142.2 | 79 | -180 | -80.5 | -76.2 | -83.3 | -99.3 | -11.8 | 109.3 | F345 E349 | F345-R347 PolarHBondContact O-N 2.85Å; R347-E349 PolarHBondContact NE-O 3.29Å | ||
| 348 | N | 33.8 | Very low | 40.9 | Very low | 149 Ų | 149 | 101.7 Ų | 101.7 | 80% | 0.797 | 52% | 0.518 | S | S | * | . | trans | -75.4 | 132.4 | 141.7 | -75.3 | -36.6 | 0 | 0 | 0 | 107.2 | ||||
| 349 | E | 37.6 | Very low | 42.3 | Very low | 151 Ų | 151 | 101.1 Ų | 101.1 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 87.2 | 123.6 | -170.8 | -54.1 | -168.3 | 167.3 | 0 | 0 | 115.9 | R347 | R347-E349 PolarHBondContact NE-O 3.29Š|
| 350 | I | 32.5 | Very low | 43.5 | Very low | 114 Ų | 114 | 105.2 Ų | 105.2 | 59% | 0.585 | 53% | 0.525 | S | S | * | . | trans | 84 | 71.1 | -174.1 | -44.6 | 168.4 | 0 | 0 | 0 | 113.2 | V352 | I350-V352 HydrophobicContact CG2-CB 3.72Å; I350-V352 HydrophobicContact CG2-CG2 4.21Å; I350-V352 PolarHBondContact O-N 3.07Å | ||
| 351 | L | 37.4 | Very low | 45 | Very low | 184 Ų | 184 | 105.8 Ų | 105.8 | 96% | 0.963 | 53% | 0.528 | S | S | * | . | trans | -69.8 | 39.4 | 159.8 | -151.7 | 126.6 | 0 | 0 | 0 | 111.4 | ||||
| 352 | V | 35.1 | Very low | 46.9 | Very low | 95 Ų | 95 | 100 Ų | 100 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | trans | -124.6 | 109 | -177.5 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | I350 | I350-V352 HydrophobicContact CG2-CB 3.72Å; I350-V352 HydrophobicContact CG2-CG2 4.21Å; I350-V352 PolarHBondContact O-N 3.07Å | ||
| 353 | N | 35.1 | Very low | 48.9 | Very low | 92 Ų | 92 | 98.1 Ų | 98.1 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | trans | 77.2 | 77.1 | 164.6 | -52.1 | -14.3 | 0 | 0 | 0 | 117.2 | F355 | N353-F355 HydrophobicContact CB-CD1 3.96Å; N353-F355 HydrophobicContact CB-CD2 3.6Å; N353-F355 HydrophobicContact CB-CE1 3.74Å; N353-F355 HydrophobicContact CB-CE2 3.35Å; N353-F355 HydrophobicContact CB-CG 3.91Å; N353-F355 HydrophobicContact CB-CZ 3.44Å; N353-F355 VanDerWaalsContact CB-CZ 3.44Å; N353-F355 WeakPolarHBondContact ND2-CE1 3.38Å; N353-F355 WeakPolarHBondContact ND2-CZ 3.23Å; N353-F355 VanDerWaalsContact O-CD2 3.27Å; N353-F355 WeakPolarHBondContact O-CD2 3.34Å; N353-F355 PolarHBondContact O-N 3.17Å; N353-F355 VanDerWaalsContact O-N 3.08Å | ||
| 354 | S | 43.8 | Very low | 50.7 | Low | 95 Ų | 95 | 97.1 Ų | 97.1 | 66% | 0.664 | 50% | 0.495 | S | S | * | . | trans | -66.4 | 97.7 | 136.7 | 48.2 | 0 | 0 | 0 | 0 | 106.9 | L356 | S354-L356 PolarHBondContact O-N 3.41Š| ||
| 355 | F | 50 | Low | 53 | Low | 112 Ų | 112 | 94.9 Ų | 94.9 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | trans | -70.2 | -13 | -175.1 | -73.2 | -84 | 0 | 0 | 0 | 114.1 | N353 | N353-F355 HydrophobicContact CB-CD1 3.96Å; N353-F355 HydrophobicContact CB-CD2 3.6Å; N353-F355 HydrophobicContact CB-CE1 3.74Å; N353-F355 HydrophobicContact CB-CE2 3.35Å; N353-F355 HydrophobicContact CB-CG 3.91Å; N353-F355 HydrophobicContact CB-CZ 3.44Å; N353-F355 VanDerWaalsContact CB-CZ 3.44Å; N353-F355 WeakPolarHBondContact ND2-CE1 3.38Å; N353-F355 WeakPolarHBondContact ND2-CZ 3.23Å; N353-F355 VanDerWaalsContact O-CD2 3.27Å; N353-F355 WeakPolarHBondContact O-CD2 3.34Å; N353-F355 PolarHBondContact O-N 3.17Å; N353-F355 VanDerWaalsContact O-N 3.08Å | ||
| 356 | L | 50 | Low | 55.3 | Low | 22 Ų | 22 | 95.3 Ų | 95.3 | 12% | 0.115 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -100 | 134 | 177.6 | -61.4 | -174.5 | 0 | 0 | 0 | 111 | Y41 K45 I103 S354 K358 | Y41-L356 HydrophobicContact CD2-CD1 4.24Å; Y41-L356 HydrophobicContact CE2-CD1 3.7Å; K45-L356 HydrophobicContact CB-CD1 4.31Å; K45-L356 HydrophobicContact CG-CB 4.36Å; K45-L356 HydrophobicContact CG-CD1 3.41Å; K45-L356 VanDerWaalsContact CG-CD1 3.41Å; K45-L356 HydrophobicContact CG-CG 3.93Å; I103-L356 HydrophobicContact CG2-CD2 3.56Å; S354-L356 PolarHBondContact O-N 3.41Å; L356-K358 PolarHBondContact O-N 3.21Å |
| 357 | P | 53.2 | Low | 58.1 | Low | 43 Ų | 43 | 91.7 Ų | 91.7 | 28% | 0.279 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 132.6 | -179 | 23.1 | -30.9 | 0 | 0 | 0 | 111.7 | Y41 H359 | Y41-P357 PolarHBondContact OH-O 2.59Å; P357-H359 PolarHBondContact O-CD2 3.41Å |
| 358 | K | 56 | Low | 60.8 | Low | 142 Ų | 142 | 83.8 Ų | 83.8 | 62% | 0.617 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 121.5 | 167.1 | -75.4 | -168.8 | 175.6 | -167.2 | 0 | 107.9 | E340 L356 | E340-K358 WeakPolarHBondContact OE1-CE 3.06Å; E340-K358 IonicContact OE1-NZ 3.17Å; E340-K358 PolarHBondContact OE1-NZ 2.94Å; E340-K358 IonicContact OE2-NZ 3.87Å; L356-K358 PolarHBondContact O-N 3.21Å |
| 359 | H | 65.9 | Low | 63.7 | Low | 47 Ų | 47 | 77.4 Ų | 77.4 | 22% | 0.218 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 127.4 | -173.7 | -70.5 | -63 | 0 | 0 | 0 | 112.7 | L104 C105 R109 D157 P357 | L104-H359 PolarHBondContact O-NE2 3.35Å; C105-H359 VanDerWaalsContact C-NE2 3.31Å; C105-H359 PolarHBondContact O-CD2 3.1Å; R109-H359 PolarHBondContact NH1-ND1 2.97Å; R109-H359 VanDerWaalsContact NH1-ND1 3.11Å; D157-H359 WeakPolarHBondContact OD2-CA 3.18Å; D157-H359 WeakPolarHBondContact OD2-CB 3.31Å; D157-H359 IonicContact OD2-CE1 3.98Å; D157-H359 IonicContact OD2-CG 2.74Å; D157-H359 VanDerWaalsContact OD2-CG 3.29Å; D157-H359 IonicContact OD2-ND1 3.86Å; D157-H359 PolarHBondContact OD2-ND1 3.29Å; P357-H359 PolarHBondContact O-CD2 3.41Å |
| 360 | Q | 66.5 | Low | 66.4 | Low | 133 Ų | 133 | 74.6 Ų | 74.6 | 62% | 0.621 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -89 | 158.1 | 175.1 | -66.2 | -170.7 | -6.5 | 0 | 0 | 112.4 | D157 S362 | D157-Q360 PolarHBondContact OD1-N 3.4Å; D157-Q360 PolarHBondContact OD2-N 2.69Å; Q360-S362 PolarHBondContact O-N 3.45Å |
| 361 | M | 72.5 | Confident | 69.4 | Low | 61 Ų | 61 | 69.8 Ų | 69.8 | 30% | 0.3 | 37% | 0.373 | S | S | . | . | trans | -81.2 | 104.3 | 175 | -72.9 | -138.1 | 175.8 | 0 | 0 | 111.5 | F108 L327 S330 | F108-M361 HydrophobicContact CD1-CE 3.62Å; F108-M361 HydrophobicContact CD2-CE 4.47Å; F108-M361 HydrophobicContact CE1-CE 3.36Å; F108-M361 HydrophobicContact CE1-SD 3.92Å; F108-M361 HydrophobicContact CE2-CE 4.32Å; F108-M361 HydrophobicContact CG-CE 4.16Å; F108-M361 HydrophobicContact CZ-CE 3.77Å; F108-M361 HydrophobicContact CZ-SD 4.44Å; L327-M361 HydrophobicContact CD1-CE 3.59Å; L327-M361 HydrophobicContact CD1-SD 3.72Å; S330-M361 WeakPolarHBondContact OG-CE 3.42Å | ||
| 362 | S | 80.9 | Confident | 72.1 | Confident | 21 Ų | 21 | 61 Ų | 61 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | trans | -79.9 | 157.9 | 172.5 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | F154 H156 Q360 G364 V365 I366 | F154-S362 PolarHBondContact O-OG 3.12Å; F154-S362 VanDerWaalsContact O-OG 3.11Å; H156-S362 PolarHBondContact N-OG 3.33Å; Q360-S362 PolarHBondContact O-N 3.45Å; S362-G364 PolarHBondContact O-N 3.27Å; S362-V365 WeakPolarHBondContact O-CB 3.33Å; S362-V365 PolarHBondContact O-N 3.09Å; S362-I366 PolarHBondContact O-N 3.25Å | ||
| 363 | I | 81.5 | Confident | 74.9 | Confident | 137 Ų | 137 | 58.5 Ų | 58.5 | 70% | 0.703 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.6 | -38.4 | 172.2 | -63.6 | 169.6 | 0 | 0 | 0 | 110.6 | V365 I366 V367 | I363-V365 PolarHBondContact O-N 3.42Å; I363-I366 PolarHBondContact O-N 2.99Å; I363-I366 VanDerWaalsContact O-N 3.17Å; I363-V367 HydrophobicContact CG2-CG2 4.4Å; I363-V367 WeakPolarHBondContact O-CG2 3.31Å; I363-V367 PolarHBondContact O-N 3.28Å |
| 364 | G | 84.5 | Confident | 77.7 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S362 S368 | S362-G364 PolarHBondContact O-N 3.27Å; G364-S368 WeakPolarHBondContact O-CB 3.15Å; G364-S368 PolarHBondContact O-N 3.25Å |
| 365 | V | 88.3 | Confident | 80 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 177.2 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | F108 L112 L151 D155 S362 I363 S368 V369 | F108-V365 HydrophobicContact CD1-CG1 3.87Å; F108-V365 HydrophobicContact CE1-CG1 3.29Å; F108-V365 HydrophobicContact CZ-CG1 4.23Å; L112-V365 HydrophobicContact CD2-CG1 4.38Å; L151-V365 HydrophobicContact CD2-CB 4.19Å; L151-V365 HydrophobicContact CD2-CG1 4.06Å; L151-V365 HydrophobicContact CD2-CG2 3.93Å; D155-V365 HydrophobicContact CB-CG2 4.4Å; D155-V365 WeakPolarHBondContact OD1-CG2 3.47Å; S362-V365 WeakPolarHBondContact O-CB 3.33Å; S362-V365 PolarHBondContact O-N 3.09Å; I363-V365 PolarHBondContact O-N 3.42Å; V365-S368 WeakPolarHBondContact O-CB 3.06Å; V365-S368 PolarHBondContact O-N 3.03Å; V365-V369 WeakPolarHBondContact O-CG2 3.4Å; V365-V369 PolarHBondContact O-N 2.89Å |
| 366 | I | 88.4 | Confident | 82 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 176.9 | -62.9 | 172.3 | 0 | 0 | 0 | 110.5 | S362 I363 S368 V369 V370 | S362-I366 PolarHBondContact O-N 3.25Å; I363-I366 PolarHBondContact O-N 2.99Å; I363-I366 VanDerWaalsContact O-N 3.17Å; I366-S368 VanDerWaalsContact C-N 3.3Å; I366-S368 PolarHBondContact O-N 2.98Å; I366-V369 PolarHBondContact O-N 3.41Å; I366-V370 WeakPolarHBondContact O-CG2 3.22Å; I366-V370 PolarHBondContact O-N 3.11Å; I366-V370 VanDerWaalsContact O-N 3.13Å |
| 367 | V | 91.2 | Very high | 84 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175.8 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | C150 I363 V369 V370 C371 | C150-V367 HydrophobicContact CB-CG1 4.37Å; I363-V367 HydrophobicContact CG2-CG2 4.4Å; I363-V367 WeakPolarHBondContact O-CG2 3.31Å; I363-V367 PolarHBondContact O-N 3.28Å; V367-V369 VanDerWaalsContact C-N 3.35Å; V367-V369 PolarHBondContact O-N 3.22Å; V367-V370 PolarHBondContact O-N 3.25Å; V367-C371 WeakPolarHBondContact O-CB 3.25Å; V367-C371 PolarHBondContact O-N 2.85Å; V367-C371 PolarHBondContact O-SG 3.28Å |
| 368 | S | 92.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 113.1 | G147 L151 G364 V365 I366 V370 C371 I372 | G147-S368 WeakPolarHBondContact O-CB 3.1Å; G147-S368 PolarHBondContact O-OG 3.42Å; L151-S368 VanDerWaalsContact CD1-OG 3.22Å; L151-S368 WeakPolarHBondContact CD1-OG 3.2Å; L151-S368 VanDerWaalsContact CG-OG 3.25Å; L151-S368 WeakPolarHBondContact CG-OG 3.33Å; G364-S368 WeakPolarHBondContact O-CB 3.15Å; G364-S368 PolarHBondContact O-N 3.25Å; V365-S368 WeakPolarHBondContact O-CB 3.06Å; V365-S368 PolarHBondContact O-N 3.03Å; I366-S368 VanDerWaalsContact C-N 3.3Å; I366-S368 PolarHBondContact O-N 2.98Å; S368-V370 VanDerWaalsContact C-N 3.34Å; S368-C371 PolarHBondContact O-N 3.42Å; S368-I372 VanDerWaalsContact O-CB 3.24Å; S368-I372 WeakPolarHBondContact O-CB 3.21Å; S368-I372 VanDerWaalsContact O-CG1 3.31Å; S368-I372 WeakPolarHBondContact O-CG1 2.73Å; S368-I372 PolarHBondContact O-N 2.86Å; S368-I372 VanDerWaalsContact OG-CD1 3.32Å; S368-I372 WeakPolarHBondContact OG-CD1 3.45Å |
| 369 | V | 93.6 | Very high | 87 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.085 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -48.7 | 177.1 | 166.5 | 0 | 0 | 0 | 0 | 110.3 | F108 L112 V323 V365 I366 V367 I372 L373 | F108-V369 HydrophobicContact CE1-CG2 4.42Å; F108-V369 HydrophobicContact CZ-CG2 3.71Å; L112-V369 HydrophobicContact CD1-CG2 4.09Å; L112-V369 HydrophobicContact CD2-CG2 3.83Å; V323-V369 HydrophobicContact CG1-CG1 3.76Å; V323-V369 HydrophobicContact CG1-CG2 4.5Å; V365-V369 WeakPolarHBondContact O-CG2 3.4Å; V365-V369 PolarHBondContact O-N 2.89Å; I366-V369 PolarHBondContact O-N 3.41Å; V367-V369 VanDerWaalsContact C-N 3.35Å; V367-V369 PolarHBondContact O-N 3.22Å; V369-I372 PolarHBondContact O-N 2.89Å; V369-L373 HydrophobicContact CG1-CD1 3.93Å; V369-L373 WeakPolarHBondContact O-CB 3.22Å; V369-L373 VanDerWaalsContact O-CG 3.29Å; V369-L373 WeakPolarHBondContact O-CG 3.42Å; V369-L373 PolarHBondContact O-N 2.88Å |
| 370 | V | 94.5 | Very high | 87.8 | Confident | 92 Ų | 92 | 40 Ų | 40 | 56% | 0.558 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.2 | -48.4 | 179.1 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | I366 V367 S368 I372 L373 Y374 | I366-V370 WeakPolarHBondContact O-CG2 3.22Å; I366-V370 PolarHBondContact O-N 3.11Å; I366-V370 VanDerWaalsContact O-N 3.13Å; V367-V370 PolarHBondContact O-N 3.25Å; S368-V370 VanDerWaalsContact C-N 3.34Å; V370-I372 PolarHBondContact O-N 3.43Å; V370-L373 PolarHBondContact O-N 3.47Å; V370-Y374 VanDerWaalsContact O-CB 3.28Å; V370-Y374 WeakPolarHBondContact O-CB 3.43Å; V370-Y374 PolarHBondContact O-N 2.89Å |
| 371 | C | 95.2 | Very high | 88.3 | Confident | 13 Ų | 13 | 35 Ų | 35 | 9% | 0.088 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | -179.9 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | F143 V367 S368 Y374 A375 | F143-C371 HydrophobicContact CD1-CB 4.46Å; F143-C371 WeakPolarHBondContact O-CB 3.47Å; V367-C371 WeakPolarHBondContact O-CB 3.25Å; V367-C371 PolarHBondContact O-N 2.85Å; V367-C371 PolarHBondContact O-SG 3.28Å; S368-C371 PolarHBondContact O-N 3.42Å; C371-Y374 PolarHBondContact O-N 3.4Å; C371-A375 WeakPolarHBondContact O-CB 3.33Å; C371-A375 PolarHBondContact O-N 3.31Å |
| 372 | I | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.1 | -40.7 | -179.4 | -74.9 | 173.5 | 0 | 0 | 0 | 111.8 | L112 S368 V369 V370 A375 S376 | L112-I372 HydrophobicContact CD1-CB 4.22Å; L112-I372 HydrophobicContact CD1-CD1 3.77Å; L112-I372 HydrophobicContact CD1-CG2 4.1Å; L112-I372 HydrophobicContact CD2-CD1 4.42Å; L112-I372 HydrophobicContact CG-CD1 3.74Å; S368-I372 VanDerWaalsContact O-CB 3.24Å; S368-I372 WeakPolarHBondContact O-CB 3.21Å; S368-I372 VanDerWaalsContact O-CG1 3.31Å; S368-I372 WeakPolarHBondContact O-CG1 2.73Å; S368-I372 PolarHBondContact O-N 2.86Å; S368-I372 VanDerWaalsContact OG-CD1 3.32Å; S368-I372 WeakPolarHBondContact OG-CD1 3.45Å; V369-I372 PolarHBondContact O-N 2.89Å; V370-I372 PolarHBondContact O-N 3.43Å; I372-A375 PolarHBondContact O-N 3.48Å; I372-S376 WeakPolarHBondContact O-CB 2.9Å; I372-S376 PolarHBondContact O-N 2.98Å |
| 373 | L | 94 | Very high | 86.2 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 23% | 0.225 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.6 | -73.9 | 176.9 | 0 | 0 | 0 | 111.3 | K319 L320 V323 V369 V370 S376 D377 | K319-L373 HydrophobicContact CG-CD2 4.42Å; L320-L373 HydrophobicContact CD1-CD2 4.28Å; V323-L373 HydrophobicContact CB-CD2 4.05Å; V323-L373 HydrophobicContact CG1-CD1 4.02Å; V323-L373 HydrophobicContact CG1-CD2 4.18Å; V323-L373 HydrophobicContact CG1-CG 4.19Å; V323-L373 HydrophobicContact CG2-CD2 4.14Å; V369-L373 HydrophobicContact CG1-CD1 3.93Å; V369-L373 WeakPolarHBondContact O-CB 3.22Å; V369-L373 VanDerWaalsContact O-CG 3.29Å; V369-L373 WeakPolarHBondContact O-CG 3.42Å; V369-L373 PolarHBondContact O-N 2.88Å; V370-L373 PolarHBondContact O-N 3.47Å; L373-S376 WeakPolarHBondContact O-CB 3.25Å; L373-S376 PolarHBondContact O-N 3.49Å; L373-D377 PolarHBondContact O-N 2.83Å |
| 374 | Y | 94.3 | Very high | 84.1 | Confident | 87 Ų | 87 | 39.4 Ų | 39.4 | 34% | 0.341 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.7 | -172 | -119.4 | 0 | 0 | 0 | 112.2 | R139 F143 V370 C371 S376 D377 L378 | R139-Y374 PolarHBondContact NH2-OH 3.5Å; F143-Y374 HydrophobicContact CB-CD1 4.41Å; F143-Y374 HydrophobicContact CD1-CD1 4.12Å; F143-Y374 AromaticContact CD2-CD1 3.64Å; F143-Y374 HydrophobicContact CD2-CD1 3.64Å; F143-Y374 AromaticContact CD2-CE1 3.68Å; F143-Y374 HydrophobicContact CD2-CE1 3.68Å; F143-Y374 HydrophobicContact CE1-CD1 4.31Å; F143-Y374 AromaticContact CE2-CD1 3.89Å; F143-Y374 HydrophobicContact CE2-CD1 3.89Å; F143-Y374 AromaticContact CE2-CE1 3.57Å; F143-Y374 HydrophobicContact CE2-CE1 3.57Å; F143-Y374 AromaticContact CG-CD1 3.79Å; F143-Y374 HydrophobicContact CG-CD1 3.79Å; F143-Y374 HydrophobicContact CG-CE1 4.3Å; F143-Y374 HydrophobicContact CZ-CD1 4.21Å; F143-Y374 HydrophobicContact CZ-CE1 4.06Å; V370-Y374 VanDerWaalsContact O-CB 3.28Å; V370-Y374 WeakPolarHBondContact O-CB 3.43Å; V370-Y374 PolarHBondContact O-N 2.89Å; C371-Y374 PolarHBondContact O-N 3.4Å; Y374-S376 VanDerWaalsContact C-N 3.33Å; Y374-S376 PolarHBondContact O-N 3.47Å; Y374-D377 PolarHBondContact O-N 3.41Å; Y374-L378 HydrophobicContact CD1-CD1 3.85Å; Y374-L378 HydrophobicContact CD1-CG 4.5Å; Y374-L378 HydrophobicContact CE1-CD1 3.39Å; Y374-L378 HydrophobicContact CE1-CG 4.18Å; Y374-L378 HydrophobicContact CE2-CD1 4.36Å; Y374-L378 HydrophobicContact CE2-CD2 4.5Å; Y374-L378 HydrophobicContact CE2-CG 4.3Å; Y374-L378 WeakPolarHBondContact O-CG 3.38Å; Y374-L378 PolarHBondContact O-N 3.12Å |
| 375 | A | 93.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G140 F143 F144 C371 I372 D377 L378 L379 | G140-A375 WeakPolarHBondContact O-CB 3.36Å; F143-A375 HydrophobicContact CB-CB 4.1Å; F144-A375 HydrophobicContact CB-CB 3.84Å; F144-A375 HydrophobicContact CD2-CB 4.49Å; C371-A375 WeakPolarHBondContact O-CB 3.33Å; C371-A375 PolarHBondContact O-N 3.31Å; I372-A375 PolarHBondContact O-N 3.48Å; A375-D377 PolarHBondContact O-N 2.96Å; A375-L378 PolarHBondContact O-N 2.99Å; A375-L379 VanDerWaalsContact O-CB 3.25Å; A375-L379 WeakPolarHBondContact O-CB 3.12Å; A375-L379 VanDerWaalsContact O-CG 3.29Å; A375-L379 WeakPolarHBondContact O-CG 3.42Å; A375-L379 PolarHBondContact O-N 3.16Å |
| 376 | S | 91.7 | Very high | 79.5 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 177 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | I372 L373 Y374 T380 | I372-S376 WeakPolarHBondContact O-CB 2.9Å; I372-S376 PolarHBondContact O-N 2.98Å; L373-S376 WeakPolarHBondContact O-CB 3.25Å; L373-S376 PolarHBondContact O-N 3.49Å; Y374-S376 VanDerWaalsContact C-N 3.33Å; Y374-S376 PolarHBondContact O-N 3.47Å; S376-T380 VanDerWaalsContact O-CB 3.29Å; S376-T380 WeakPolarHBondContact O-CB 3.43Å; S376-T380 VanDerWaalsContact O-CG2 3.25Å; S376-T380 WeakPolarHBondContact O-CG2 3.46Å; S376-T380 PolarHBondContact O-N 3.19Å; S376-T380 PolarHBondContact O-OG1 3.32Å |
| 377 | D | 90.6 | Very high | 77.2 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 33% | 0.326 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64 | -47.8 | 176.3 | -173.4 | 65.1 | 0 | 0 | 0 | 111.9 | R316 L373 Y374 A375 L379 T380 T381 | R316-D377 WeakPolarHBondContact CD-OD1 3.26Å; R316-D377 IonicContact NE-OD1 3.82Å; L373-D377 PolarHBondContact O-N 2.83Å; Y374-D377 PolarHBondContact O-N 3.41Å; A375-D377 PolarHBondContact O-N 2.96Å; D377-L379 PolarHBondContact O-N 3.4Å; D377-T380 PolarHBondContact O-N 3.34Å; D377-T381 WeakPolarHBondContact O-CB 3.32Å; D377-T381 WeakPolarHBondContact O-CG2 3.31Å; D377-T381 PolarHBondContact O-N 3.05Å; D377-T381 PolarHBondContact O-OG1 3.47Å |
| 378 | L | 88.2 | Confident | 74.7 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 179.4 | -70.7 | -178.6 | 0 | 0 | 0 | 113.2 | K136 K137 R139 F143 Y374 A375 T381 | K136-L378 HydrophobicContact CB-CD2 4.32Å; K136-L378 HydrophobicContact CD-CD2 4.46Å; K136-L378 HydrophobicContact CG-CD2 4.37Å; K137-L378 PolarHBondContact NZ-O 3.05Å; R139-L378 HydrophobicContact CB-CD1 3.95Å; F143-L378 HydrophobicContact CD2-CD1 4.46Å; Y374-L378 HydrophobicContact CD1-CD1 3.85Å; Y374-L378 HydrophobicContact CD1-CG 4.5Å; Y374-L378 HydrophobicContact CE1-CD1 3.39Å; Y374-L378 HydrophobicContact CE1-CG 4.18Å; Y374-L378 HydrophobicContact CE2-CD1 4.36Å; Y374-L378 HydrophobicContact CE2-CD2 4.5Å; Y374-L378 HydrophobicContact CE2-CG 4.3Å; Y374-L378 WeakPolarHBondContact O-CG 3.38Å; Y374-L378 PolarHBondContact O-N 3.12Å; A375-L378 PolarHBondContact O-N 2.99Å; L378-T381 PolarHBondContact O-OG1 3.16Å |
| 379 | L | 85.8 | Confident | 72.2 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -79.5 | -19.1 | -179.4 | -68.9 | 170.8 | 0 | 0 | 0 | 113.1 | L120 A123 A124 K137 A375 D377 | L120-L379 HydrophobicContact CD1-CB 3.63Å; L120-L379 HydrophobicContact CD1-CD1 3.55Å; L120-L379 HydrophobicContact CD1-CG 4.22Å; A123-L379 HydrophobicContact CB-CD2 4.36Å; A124-L379 HydrophobicContact CB-CD1 3.83Å; K137-L379 HydrophobicContact CB-CD2 4.3Å; K137-L379 HydrophobicContact CD-CD2 4Å; K137-L379 PolarHBondContact NZ-O 2.85Å; A375-L379 VanDerWaalsContact O-CB 3.25Å; A375-L379 WeakPolarHBondContact O-CB 3.12Å; A375-L379 VanDerWaalsContact O-CG 3.29Å; A375-L379 WeakPolarHBondContact O-CG 3.42Å; A375-L379 PolarHBondContact O-N 3.16Å; D377-L379 PolarHBondContact O-N 3.4Å |
| 380 | T | 82.5 | Confident | 69.4 | Low | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -110.6 | -0.4 | 178.7 | 65.8 | 0 | 0 | 0 | 0 | 114.5 | T315 R316 S376 D377 | T315-T380 HydrophobicContact CG2-CG2 3.65Å; R316-T380 PolarHBondContact NE-OG1 3.46Å; R316-T380 PolarHBondContact NH2-O 3.01Å; S376-T380 VanDerWaalsContact O-CB 3.29Å; S376-T380 WeakPolarHBondContact O-CB 3.43Å; S376-T380 VanDerWaalsContact O-CG2 3.25Å; S376-T380 WeakPolarHBondContact O-CG2 3.46Å; S376-T380 PolarHBondContact O-N 3.19Å; S376-T380 PolarHBondContact O-OG1 3.32Å; D377-T380 PolarHBondContact O-N 3.34Å |
| 381 | T | 76.3 | Confident | 66.9 | Low | 27 Ų | 27 | 59.4 Ų | 59.4 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | trans | -72.8 | 130.3 | 176.6 | 37.1 | 0 | 0 | 0 | 0 | 112.4 | D377 L378 | D377-T381 WeakPolarHBondContact O-CB 3.32Å; D377-T381 WeakPolarHBondContact O-CG2 3.31Å; D377-T381 PolarHBondContact O-N 3.05Å; D377-T381 PolarHBondContact O-OG1 3.47Å; L378-T381 PolarHBondContact O-OG1 3.16Å | ||
| 382 | D | 61.4 | Low | 64.4 | Low | 73 Ų | 73 | 63.5 Ų | 63.5 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | trans | -88.2 | 113.6 | 169.4 | -54.4 | -26.6 | 0 | 0 | 0 | 108 | Q312 A409 | Q312-D382 PolarHBondContact NE2-OD1 3.29Å; Q312-D382 PolarHBondContact OE1-OD1 2.93Å; Q312-D382 PolarHBondContact OE1-OD2 3.49Å; D382-A409 HydrophobicContact CB-CB 3.77Å; D382-A409 WeakPolarHBondContact OD1-CB 3.24Å | ||
| 383 | K | 47.5 | Very low | 62.3 | Low | 150 Ų | 150 | 64.4 Ų | 64.4 | 65% | 0.652 | 37% | 0.37 | S | S | * | . | trans | -82.5 | 124.7 | 141.6 | -84.3 | -168.3 | 172.7 | -172.4 | 0 | 105.3 | G385 | K383-G385 PolarHBondContact O-N 3.07Š| ||
| 384 | S | 38.5 | Very low | 60.5 | Low | 88 Ų | 88 | 63 Ų | 63 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | trans | -60.4 | 71.8 | 157.7 | 46.3 | 0 | 0 | 0 | 0 | 108.4 | H386 | S384-H386 PolarHBondContact O-N 2.95Å; S384-H386 PolarHBondContact O-ND1 3.49Å | ||
| 385 | G | 41.2 | Very low | 58.9 | Low | 40 Ų | 40 | 60.7 Ų | 60.7 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | trans | -59.1 | 99.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | K383 G387 | K383-G385 PolarHBondContact O-N 3.07Å; G385-G387 VanDerWaalsContact C-N 3.28Å; G385-G387 PolarHBondContact O-N 2.88Å | ||
| 386 | H | 34.6 | Very low | 57.4 | Low | 152 Ų | 152 | 64.5 Ų | 64.5 | 70% | 0.704 | 37% | 0.374 | S | S | * | . | B | Isolated β-bridge | trans | -62.4 | 103.5 | 167.1 | -71.4 | 50.7 | 0 | 0 | 0 | 103.7 | S384 | S384-H386 PolarHBondContact O-N 2.95Å; S384-H386 PolarHBondContact O-ND1 3.49Å |
| 387 | G | 39.4 | Very low | 56.1 | Low | 10 Ų | 10 | 65.6 Ų | 65.6 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | trans | -53.5 | 158.5 | 156 | 0 | 0 | 0 | 0 | 0 | 107.9 | G385 E389 G390 | G385-G387 VanDerWaalsContact C-N 3.28Å; G385-G387 PolarHBondContact O-N 2.88Å; G387-E389 PolarHBondContact O-N 3.42Å; G387-G390 PolarHBondContact O-N 3.4Å | ||
| 388 | P | 38.5 | Very low | 55 | Low | 143 Ų | 143 | 62.7 Ų | 62.7 | 93% | 0.929 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -19.2 | -178.7 | 16.1 | -28.5 | 0 | 0 | 0 | 114 | ||
| 389 | E | 39.9 | Very low | 53.8 | Low | 168 Ų | 168 | 65.4 Ų | 65.4 | 79% | 0.785 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 19.9 | 178.8 | -58.1 | -168.6 | 163.9 | 0 | 0 | 115.6 | G387 I391 | G387-E389 PolarHBondContact O-N 3.42Å; E389-I391 PolarHBondContact O-N 3.17Å |
| 390 | G | 36.7 | Very low | 53 | Low | 57 Ų | 57 | 66 Ų | 66 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 69.8 | 6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G387 | G387-G390 PolarHBondContact O-N 3.4Š|
| 391 | I | 41 | Very low | 52.1 | Low | 119 Ų | 119 | 68.1 Ų | 68.1 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | trans | -79.9 | 122.9 | 171.9 | -59.2 | 172.4 | 0 | 0 | 0 | 107.9 | E389 S393 | E389-I391 PolarHBondContact O-N 3.17Å; I391-S393 WeakPolarHBondContact O-CB 3.08Å; I391-S393 PolarHBondContact O-N 3.37Å | ||
| 392 | S | 43.6 | Very low | 51.5 | Low | 99 Ų | 99 | 68 Ų | 68 | 69% | 0.692 | 39% | 0.391 | S | S | * | . | B | Isolated β-bridge | trans | -59.1 | 100.1 | 171.2 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | G394 | S392-G394 PolarHBondContact O-N 3.43Å |
| 393 | S | 48.7 | Very low | 51.6 | Low | 19 Ų | 19 | 65.7 Ų | 65.7 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | trans | -102.7 | 90.1 | -165.2 | 83.9 | 0 | 0 | 0 | 0 | 107.1 | I391 Q411 T412 P413 | I391-S393 WeakPolarHBondContact O-CB 3.08Å; I391-S393 PolarHBondContact O-N 3.37Å; S393-Q411 CarbonylContact O-C 3.58Å; S393-T412 WeakPolarHBondContact OG-CA 3.43Å; S393-P413 WeakPolarHBondContact OG-CD 3.33Å | ||
| 394 | G | 56.9 | Low | 52.5 | Low | 13 Ų | 13 | 61.2 Ų | 61.2 | 13% | 0.134 | 37% | 0.367 | C | S | . | . | trans | -99.1 | 153.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S392 F407 T408 Q411 | S392-G394 PolarHBondContact O-N 3.43Å; G394-F407 WeakPolarHBondContact O-CD1 3.42Å; G394-T408 CarbonylContact C-O 3.57Å; G394-T408 WeakPolarHBondContact CA-O 3.31Å; G394-Q411 CarbonylContact C-O 3.45Å | ||
| 395 | H | 61 | Low | 53.9 | Low | 38 Ų | 38 | 59.7 Ų | 59.7 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 131.9 | 175 | 171.3 | 82.8 | 0 | 0 | 0 | 109.7 | I397 F407 T408 Q411 G416 | H395-I397 WeakPolarHBondContact O-CG1 3.29Å; H395-I397 PolarHBondContact O-N 3.03Å; H395-F407 CarbonylContact O-C 3.52Å; H395-F407 VanDerWaalsContact O-CA 3.24Å; H395-F407 WeakPolarHBondContact O-CA 3.44Å; H395-T408 WeakPolarHBondContact CB-OG1 3.39Å; H395-T408 PolarHBondContact N-O 2.92Å; H395-T408 PolarHBondContact O-N 3.03Å; H395-T408 PolarHBondContact O-OG1 3.32Å; H395-Q411 HydrophobicContact CB-CB 3.54Å; H395-Q411 HydrophobicContact CB-CG 4.28Å; H395-Q411 VanDerWaalsContact CB-OE1 3.28Å; H395-Q411 PolarHBondContact N-O 3.46Å; H395-G416 WeakPolarHBondContact ND1-CA 3.37Å |
| 396 | F | 62.2 | Low | 55.1 | Low | 80 Ų | 80 | 57.9 Ų | 57.9 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 112.9 | 179.6 | 172.2 | -106 | 0 | 0 | 0 | 110.4 | G398 Y399 P405 F407 | F396-G398 WeakPolarHBondContact CE2-O 3.3Å; F396-Y399 AromaticContact CE2-CD2 3.53Å; F396-Y399 HydrophobicContact CE2-CD2 3.53Å; F396-Y399 AromaticContact CE2-CE2 3.49Å; F396-Y399 HydrophobicContact CE2-CE2 3.49Å; F396-Y399 VanDerWaalsContact CE2-CE2 3.49Å; F396-Y399 AromaticContact CZ-CD2 3.46Å; F396-Y399 HydrophobicContact CZ-CD2 3.46Å; F396-Y399 VanDerWaalsContact CZ-CD2 3.46Å; F396-Y399 AromaticContact CZ-CE2 3.27Å; F396-Y399 HydrophobicContact CZ-CE2 3.27Å; F396-P405 HydrophobicContact CD2-CB 4.28Å; F396-P405 HydrophobicContact CE2-CB 4.07Å; F396-F407 HydrophobicContact CB-CD1 4.04Å; F396-F407 HydrophobicContact CB-CE1 3.86Å; F396-F407 HydrophobicContact CD2-CE1 4.18Å; F396-F407 HydrophobicContact CD2-CZ 4.41Å; F396-F407 HydrophobicContact CG-CE1 4.5Å |
| 397 | I | 64.7 | Low | 56.5 | Low | 27 Ų | 27 | 55.1 Ų | 55.1 | 14% | 0.138 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -35.8 | -176.6 | -37.6 | 171.1 | 0 | 0 | 0 | 111.3 | L119 L122 A123 H395 L406 T408 | L119-I397 HydrophobicContact CD1-CD1 3.64Å; L122-I397 HydrophobicContact CB-CB 4.46Å; L122-I397 HydrophobicContact CB-CG2 3.42Å; L122-I397 VanDerWaalsContact CB-CG2 3.42Å; L122-I397 HydrophobicContact CD1-CG2 4.44Å; L122-I397 HydrophobicContact CG-CG2 4.49Å; A123-I397 HydrophobicContact CB-CD1 4.16Å; H395-I397 WeakPolarHBondContact O-CG1 3.29Å; H395-I397 PolarHBondContact O-N 3.03Å; I397-L406 PolarHBondContact N-O 3.2Å; I397-T408 HydrophobicContact CD1-CG2 3.14Å; I397-T408 HydrophobicContact CG1-CG2 3.76Å |
| 398 | G | 65.4 | Low | 57.6 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | -172.3 | -164.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F396 L406 | F396-G398 WeakPolarHBondContact CE2-O 3.3Å; G398-L406 WeakPolarHBondContact O-CB 3.46Å; G398-L406 PolarHBondContact O-N 2.76Å |
| 399 | Y | 64.5 | Low | 58.4 | Low | 66 Ų | 66 | 48.5 Ų | 48.5 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154.4 | 163.7 | -74 | -123.8 | 0 | 0 | 0 | 107.6 | R212 F396 G403 L404 P405 | R212-Y399 HydrophobicContact CB-CD2 4.17Å; R212-Y399 HydrophobicContact CB-CE2 4.24Å; R212-Y399 VanDerWaalsContact CD-CE2 3.44Å; R212-Y399 HydrophobicContact CG-CD2 3.46Å; R212-Y399 VanDerWaalsContact CG-CD2 3.46Å; R212-Y399 HydrophobicContact CG-CE2 4.01Å; R212-Y399 HydrophobicContact CG-CG 3.8Å; F396-Y399 AromaticContact CE2-CD2 3.53Å; F396-Y399 HydrophobicContact CE2-CD2 3.53Å; F396-Y399 AromaticContact CE2-CE2 3.49Å; F396-Y399 HydrophobicContact CE2-CE2 3.49Å; F396-Y399 VanDerWaalsContact CE2-CE2 3.49Å; F396-Y399 AromaticContact CZ-CD2 3.46Å; F396-Y399 HydrophobicContact CZ-CD2 3.46Å; F396-Y399 VanDerWaalsContact CZ-CD2 3.46Å; F396-Y399 AromaticContact CZ-CE2 3.27Å; F396-Y399 HydrophobicContact CZ-CE2 3.27Å; Y399-G403 VanDerWaalsContact CD1-O 3.32Å; Y399-G403 WeakPolarHBondContact CD1-O 3.33Å; Y399-L404 CarbonylContact C-O 3.39Å; Y399-L404 WeakPolarHBondContact CA-O 3.16Å; Y399-L404 WeakPolarHBondContact CB-O 3.19Å; Y399-P405 HydrophobicContact CE1-CB 4.39Å |
| 400 | S | 68.2 | Low | 58.9 | Low | 16 Ų | 16 | 42.7 Ų | 42.7 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | trans | -76.2 | 168.2 | 172.1 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | E118 A402 G403 L404 | E118-S400 VanDerWaalsContact OE2-C 3.29Å; E118-S400 WeakPolarHBondContact OE2-CA 3.29Å; S400-A402 PolarHBondContact O-N 2.98Å; S400-A402 PolarHBondContact OG-N 3.42Å; S400-G403 WeakPolarHBondContact O-CA 3.38Å; S400-G403 PolarHBondContact O-N 2.8Å; S400-L404 PolarHBondContact N-O 2.92Å; S400-L404 WeakPolarHBondContact OG-CB 3.37Å; S400-L404 PolarHBondContact OG-N 2.8Å | ||
| 401 | M | 63.6 | Low | 59.4 | Low | 45 Ų | 45 | 41.1 Ų | 41.1 | 22% | 0.222 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -25.1 | 167.4 | -70.4 | -152.9 | -175.1 | 0 | 0 | 113 | R91 E118 D204 A221 Y225 F299 G403 | R91-M401 VanDerWaalsContact NH1-CE 3.26Å; E118-M401 VanDerWaalsContact CD-N 3.33Å; E118-M401 WeakPolarHBondContact OE1-CG 3.46Å; E118-M401 PolarHBondContact OE1-N 3.06Å; E118-M401 PolarHBondContact OE2-N 3.48Å; D204-M401 WeakPolarHBondContact OD1-CE 3.49Å; D204-M401 WeakPolarHBondContact OD2-CE 3.12Å; A221-M401 WeakPolarHBondContact CB-O 3.33Å; Y225-M401 HydrophobicContact CE2-CB 4.29Å; Y225-M401 WeakPolarHBondContact CE2-O 3.49Å; Y225-M401 WeakPolarHBondContact OH-CG 3.41Å; Y225-M401 PolarHBondContact OH-SD 3.35Å; Y225-M401 VanDerWaalsContact OH-SD 3.41Å; F299-M401 HydrophobicContact CE2-CB 4.32Å; M401-G403 VanDerWaalsContact C-N 3.25Å; M401-G403 PolarHBondContact O-N 3.16Å |
| 402 | A | 63.9 | Low | 59.5 | Low | 24 Ų | 24 | 37.2 Ų | 37.2 | 20% | 0.198 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S303 S400 L404 | S303-A402 WeakPolarHBondContact OG-CB 3.4Å; S400-A402 PolarHBondContact O-N 2.98Å; S400-A402 PolarHBondContact OG-N 3.42Å; A402-L404 VanDerWaalsContact C-N 3.31Å; A402-L404 HydrophobicContact CB-CD1 4.08Å; A402-L404 HydrophobicContact CB-CG 4.27Å |
| 403 | G | 63.3 | Low | 59.4 | Low | 26 Ų | 26 | 36.4 Ų | 36.4 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 73.9 | 21.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y399 S400 M401 | Y399-G403 VanDerWaalsContact CD1-O 3.32Å; Y399-G403 WeakPolarHBondContact CD1-O 3.33Å; S400-G403 WeakPolarHBondContact O-CA 3.38Å; S400-G403 PolarHBondContact O-N 2.8Å; M401-G403 VanDerWaalsContact C-N 3.25Å; M401-G403 PolarHBondContact O-N 3.16Å |
| 404 | L | 67.5 | Low | 59.1 | Low | 55 Ų | 55 | 40.6 Ų | 40.6 | 29% | 0.288 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -86.1 | 133.9 | 172.1 | -68.5 | 159.9 | 0 | 0 | 0 | 109.1 | S306 Y399 S400 A402 L406 | S306-L404 WeakPolarHBondContact OG-CD1 3Å; Y399-L404 CarbonylContact C-O 3.39Å; Y399-L404 WeakPolarHBondContact CA-O 3.16Å; Y399-L404 WeakPolarHBondContact CB-O 3.19Å; S400-L404 PolarHBondContact N-O 2.92Å; S400-L404 WeakPolarHBondContact OG-CB 3.37Å; S400-L404 PolarHBondContact OG-N 2.8Å; A402-L404 VanDerWaalsContact C-N 3.31Å; A402-L404 HydrophobicContact CB-CD1 4.08Å; A402-L404 HydrophobicContact CB-CG 4.27Å; L404-L406 PolarHBondContact O-N 3.46Å |
| 405 | P | 66.5 | Low | 58.3 | Low | 57 Ų | 57 | 45 Ų | 45 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.4 | 172.8 | 28 | -34.7 | 0 | 0 | 0 | 110 | F396 Y399 F407 | F396-P405 HydrophobicContact CD2-CB 4.28Å; F396-P405 HydrophobicContact CE2-CB 4.07Å; Y399-P405 HydrophobicContact CE1-CB 4.39Å; P405-F407 HydrophobicContact CB-CD2 4.36Å; P405-F407 HydrophobicContact CB-CE2 3.57Å; P405-F407 HydrophobicContact CB-CZ 3.94Å; P405-F407 HydrophobicContact CG-CE2 3.72Å; P405-F407 HydrophobicContact CG-CZ 4.33Å |
| 406 | L | 66.4 | Low | 57.4 | Low | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123.3 | 178.3 | -68.6 | 175.7 | 0 | 0 | 0 | 109.2 | E118 L119 A311 I397 G398 L404 | E118-L406 HydrophobicContact CB-CD1 4.2Å; L119-L406 HydrophobicContact CB-CD1 4.09Å; L119-L406 HydrophobicContact CB-CD2 4.06Å; L119-L406 HydrophobicContact CD1-CB 3.98Å; L119-L406 HydrophobicContact CD1-CD2 4.23Å; A311-L406 HydrophobicContact CB-CD2 3.54Å; I397-L406 PolarHBondContact N-O 3.2Å; G398-L406 WeakPolarHBondContact O-CB 3.46Å; G398-L406 PolarHBondContact O-N 2.76Å; L404-L406 PolarHBondContact O-N 3.46Å |
| 407 | F | 64.4 | Low | 56.5 | Low | 95 Ų | 95 | 42.6 Ų | 42.6 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.6 | 176.9 | -61 | -85.6 | 0 | 0 | 0 | 110.2 | Q312 G394 H395 F396 P405 | Q312-F407 PolarHBondContact NE2-O 2.88Å; G394-F407 WeakPolarHBondContact O-CD1 3.42Å; H395-F407 CarbonylContact O-C 3.52Å; H395-F407 VanDerWaalsContact O-CA 3.24Å; H395-F407 WeakPolarHBondContact O-CA 3.44Å; F396-F407 HydrophobicContact CB-CD1 4.04Å; F396-F407 HydrophobicContact CB-CE1 3.86Å; F396-F407 HydrophobicContact CD2-CE1 4.18Å; F396-F407 HydrophobicContact CD2-CZ 4.41Å; F396-F407 HydrophobicContact CG-CE1 4.5Å; P405-F407 HydrophobicContact CB-CD2 4.36Å; P405-F407 HydrophobicContact CB-CE2 3.57Å; P405-F407 HydrophobicContact CB-CZ 3.94Å; P405-F407 HydrophobicContact CG-CE2 3.72Å; P405-F407 HydrophobicContact CG-CZ 4.33Å |
| 408 | T | 62.9 | Low | 55.4 | Low | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.4 | 161 | 41.6 | 0 | 0 | 0 | 0 | 109.2 | A123 G394 H395 I397 Q411 | A123-T408 HydrophobicContact CB-CG2 4.11Å; G394-T408 CarbonylContact C-O 3.57Å; G394-T408 WeakPolarHBondContact CA-O 3.31Å; H395-T408 WeakPolarHBondContact CB-OG1 3.39Å; H395-T408 PolarHBondContact N-O 2.92Å; H395-T408 PolarHBondContact O-N 3.03Å; H395-T408 PolarHBondContact O-OG1 3.32Å; I397-T408 HydrophobicContact CD1-CG2 3.14Å; I397-T408 HydrophobicContact CG1-CG2 3.76Å; T408-Q411 PolarHBondContact OG1-OE1 3.39Å |
| 409 | A | 55.2 | Low | 54.2 | Low | 7 Ų | 7 | 43.8 Ų | 43.8 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 145.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D382 | D382-A409 HydrophobicContact CB-CB 3.77Å; D382-A409 WeakPolarHBondContact OD1-CB 3.24Å |
| 410 | G | 50.4 | Low | 53.2 | Low | 46 Ų | 46 | 45.8 Ų | 45.8 | 47% | 0.474 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 9.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 411 | Q | 47.1 | Very low | 52.2 | Low | 23 Ų | 23 | 48.5 Ų | 48.5 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | trans | -117.4 | 98.7 | 171.5 | -68.6 | 176.5 | -62.4 | 0 | 0 | 107.3 | S393 G394 H395 T408 | S393-Q411 CarbonylContact O-C 3.58Å; G394-Q411 CarbonylContact C-O 3.45Å; H395-Q411 HydrophobicContact CB-CB 3.54Å; H395-Q411 HydrophobicContact CB-CG 4.28Å; H395-Q411 VanDerWaalsContact CB-OE1 3.28Å; H395-Q411 PolarHBondContact N-O 3.46Å; T408-Q411 PolarHBondContact OG1-OE1 3.39Å | ||
| 412 | T | 42.4 | Very low | 51.4 | Low | 38 Ų | 38 | 50.3 Ų | 50.3 | 23% | 0.233 | 32% | 0.318 | C | S | . | . | trans | -52.1 | 144.7 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | S393 T414 H415 G416 | S393-T412 WeakPolarHBondContact OG-CA 3.43Å; T412-T414 WeakPolarHBondContact CB-OG1 3.31Å; T412-T414 PolarHBondContact O-N 3.42Å; T412-T414 VanDerWaalsContact O-N 3.12Å; T412-T414 PolarHBondContact OG1-OG1 2.88Å; T412-H415 CarbonylContact O-C 3.55Å; T412-H415 VanDerWaalsContact O-CA 3.32Å; T412-H415 WeakPolarHBondContact O-CA 3.25Å; T412-H415 WeakPolarHBondContact O-CB 3.48Å; T412-H415 PolarHBondContact O-N 3.49Å; T412-H415 WeakPolarHBondContact OG1-CB 3.28Å; T412-H415 PolarHBondContact OG1-CD2 3.24Å; T412-H415 PolarHBondContact OG1-N 2.72Å; T412-G416 PolarHBondContact O-N 3.4Å | ||
| 413 | P | 42 | Very low | 50.7 | Low | 82 Ų | 82 | 51.3 Ų | 51.3 | 53% | 0.532 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.1 | -29.2 | 179.4 | 17.3 | -29.2 | 0 | 0 | 0 | 112.4 | S393 G416 A417 | S393-P413 WeakPolarHBondContact OG-CD 3.33Å; P413-G416 PolarHBondContact O-N 2.77Å; P413-A417 WeakPolarHBondContact O-CB 3.04Å; P413-A417 PolarHBondContact O-N 2.86Å |
| 414 | T | 43 | Very low | 50.1 | Low | 106 Ų | 106 | 56.8 Ų | 56.8 | 65% | 0.65 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.1 | -46.6 | 169.2 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | T412 A418 | T412-T414 WeakPolarHBondContact CB-OG1 3.31Å; T412-T414 PolarHBondContact O-N 3.42Å; T412-T414 VanDerWaalsContact O-N 3.12Å; T412-T414 PolarHBondContact OG1-OG1 2.88Å; T414-A418 WeakPolarHBondContact O-CB 3.37Å; T414-A418 PolarHBondContact O-N 3.15Å |
| 415 | H | 39.3 | Very low | 49.6 | Very low | 107 Ų | 107 | 59.4 Ų | 59.4 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.6 | -30.3 | 172.4 | -73.5 | -58.1 | 0 | 0 | 0 | 114.6 | T412 A418 L419 | T412-H415 CarbonylContact O-C 3.55Å; T412-H415 VanDerWaalsContact O-CA 3.32Å; T412-H415 WeakPolarHBondContact O-CA 3.25Å; T412-H415 WeakPolarHBondContact O-CB 3.48Å; T412-H415 PolarHBondContact O-N 3.49Å; T412-H415 WeakPolarHBondContact OG1-CB 3.28Å; T412-H415 PolarHBondContact OG1-CD2 3.24Å; T412-H415 PolarHBondContact OG1-N 2.72Å; H415-A418 CarbonylContact O-C 3.59Å; H415-A418 PolarHBondContact O-N 3.26Å; H415-L419 VanDerWaalsContact O-CB 3.29Å; H415-L419 WeakPolarHBondContact O-CB 3.12Å; H415-L419 PolarHBondContact O-N 2.84Å |
| 416 | G | 43.1 | Very low | 49.3 | Very low | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.7 | -42.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H395 T412 P413 A418 L419 L420 | H395-G416 WeakPolarHBondContact ND1-CA 3.37Å; T412-G416 PolarHBondContact O-N 3.4Å; P413-G416 PolarHBondContact O-N 2.77Å; G416-A418 VanDerWaalsContact C-N 3.35Å; G416-L419 PolarHBondContact O-N 2.63Å; G416-L420 PolarHBondContact O-N 2.82Å |
| 417 | A | 42.7 | Very low | 49.1 | Very low | 63 Ų | 63 | 61 Ų | 61 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P413 L419 L420 A421 | P413-A417 WeakPolarHBondContact O-CB 3.04Å; P413-A417 PolarHBondContact O-N 2.86Å; A417-L419 VanDerWaalsContact C-N 3.31Å; A417-L419 PolarHBondContact O-N 3.26Å; A417-L420 PolarHBondContact O-N 3.43Å; A417-A421 WeakPolarHBondContact O-CB 3.29Å; A417-A421 PolarHBondContact O-N 3.46Å |
| 418 | A | 42 | Very low | 49.4 | Very low | 32 Ų | 32 | 59.8 Ų | 59.8 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.7 | -19.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T414 H415 G416 N422 | T414-A418 WeakPolarHBondContact O-CB 3.37Å; T414-A418 PolarHBondContact O-N 3.15Å; H415-A418 CarbonylContact O-C 3.59Å; H415-A418 PolarHBondContact O-N 3.26Å; G416-A418 VanDerWaalsContact C-N 3.35Å; A418-N422 CarbonylContact O-C 3.53Å; A418-N422 WeakPolarHBondContact O-CA 3.47Å; A418-N422 WeakPolarHBondContact O-CB 3.36Å; A418-N422 PolarHBondContact O-N 3.19Å |
| 419 | L | 39.4 | Very low | 49.7 | Very low | 20 Ų | 20 | 68 Ų | 68 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -83.6 | -25.9 | 175 | -143.2 | 158.6 | 0 | 0 | 0 | 110.7 | F130 H415 G416 A417 S423 | F130-L419 HydrophobicContact CB-CD2 3.55Å; F130-L419 WeakPolarHBondContact O-CD2 2.87Å; H415-L419 VanDerWaalsContact O-CB 3.29Å; H415-L419 WeakPolarHBondContact O-CB 3.12Å; H415-L419 PolarHBondContact O-N 2.84Å; G416-L419 PolarHBondContact O-N 2.63Å; A417-L419 VanDerWaalsContact C-N 3.31Å; A417-L419 PolarHBondContact O-N 3.26Å; L419-S423 WeakPolarHBondContact O-CA 3.4Å; L419-S423 WeakPolarHBondContact O-CB 3.33Å; L419-S423 PolarHBondContact O-N 3.29Å |
| 420 | L | 43.8 | Very low | 50.4 | Low | 109 Ų | 109 | 72.1 Ų | 72.1 | 57% | 0.571 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -80.4 | -41.7 | 166.6 | -71.1 | 170.1 | 0 | 0 | 0 | 111.2 | G416 A417 S423 | G416-L420 PolarHBondContact O-N 2.82Å; A417-L420 PolarHBondContact O-N 3.43Å; L420-S423 PolarHBondContact O-OG 3.2Å |
| 421 | A | 47.8 | Very low | 51.6 | Low | 73 Ų | 73 | 73.7 Ų | 73.7 | 60% | 0.603 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.7 | -34.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A417 | A417-A421 WeakPolarHBondContact O-CB 3.29Å; A417-A421 PolarHBondContact O-N 3.46Å |
| 422 | N | 46.7 | Very low | 53.1 | Low | 83 Ų | 83 | 76.1 Ų | 76.1 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 36.6 | 171.9 | -51.4 | -9.9 | 0 | 0 | 0 | 110.6 | A418 E424 E425 | A418-N422 CarbonylContact O-C 3.53Å; A418-N422 WeakPolarHBondContact O-CA 3.47Å; A418-N422 WeakPolarHBondContact O-CB 3.36Å; A418-N422 PolarHBondContact O-N 3.19Å; N422-E424 PolarHBondContact O-N 2.8Å; N422-E425 PolarHBondContact O-N 3.24Å; N422-E425 VanDerWaalsContact O-N 3.1Å |
| 423 | S | 48.9 | Very low | 54.9 | Low | 44 Ų | 44 | 82.4 Ų | 82.4 | 31% | 0.308 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -16.8 | 164.9 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | L419 L420 E425 | L419-S423 WeakPolarHBondContact O-CA 3.4Å; L419-S423 WeakPolarHBondContact O-CB 3.33Å; L419-S423 PolarHBondContact O-N 3.29Å; L420-S423 PolarHBondContact O-OG 3.2Å; S423-E425 VanDerWaalsContact C-N 3.32Å; S423-E425 PolarHBondContact O-N 3.36Å |
| 424 | E | 50.7 | Low | 56.7 | Low | 142 Ų | 142 | 79.7 Ų | 79.7 | 66% | 0.664 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -0.7 | 174.7 | -53.7 | -162.9 | 158 | 0 | 0 | 115.9 | N422 Y430 | N422-E424 PolarHBondContact O-N 2.8Å; E424-Y430 WeakPolarHBondContact O-CD2 3.27Å; E424-Y430 WeakPolarHBondContact O-CE2 3.21Å |
| 425 | E | 57.1 | Low | 58.6 | Low | 109 Ų | 109 | 75.6 Ų | 75.6 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -21.9 | -177.5 | -72 | -169.1 | 164.5 | 0 | 0 | 116.7 | N422 S423 Y430 | N422-E425 PolarHBondContact O-N 3.24Å; N422-E425 VanDerWaalsContact O-N 3.1Å; S423-E425 VanDerWaalsContact C-N 3.32Å; S423-E425 PolarHBondContact O-N 3.36Å; E425-Y430 VanDerWaalsContact C-CD1 3.45Å; E425-Y430 WeakPolarHBondContact O-CD1 3.38Å; E425-Y430 VanDerWaalsContact O-CE1 3.27Å; E425-Y430 WeakPolarHBondContact O-CE1 3.36Å |
| 426 | F | 59.2 | Low | 60.8 | Low | 91 Ų | 91 | 75.5 Ų | 75.5 | 40% | 0.399 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | -4.9 | -165.7 | -74.1 | -82.5 | 0 | 0 | 0 | 117.3 | G131 H133 | G131-F426 VanDerWaalsContact CA-O 3.25Å; G131-F426 WeakPolarHBondContact CA-O 3.27Å; H133-F426 AromaticContact CE1-CD2 3.6Å; H133-F426 AromaticContact CE1-CE1 3.83Å; H133-F426 AromaticContact CE1-CE2 3.23Å; H133-F426 WeakPolarHBondContact CE1-CE2 3.47Å; H133-F426 AromaticContact CE1-CZ 3.36Å; H133-F426 WeakPolarHBondContact CE1-CZ 3.46Å; H133-F426 AromaticContact ND1-CZ 3.99Å; H133-F426 AromaticContact NE2-CD2 3.78Å; H133-F426 AromaticContact NE2-CE2 3.78Å |
| 427 | G | 63.9 | Low | 62.8 | Low | 1 Ų | 1 | 81.3 Ų | 81.3 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -86.6 | 160.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I129 F130 W429 Y430 H431 | I129-G427 WeakPolarHBondContact O-CA 3.48Å; F130-G427 WeakPolarHBondContact O-CA 3.4Å; F130-G427 PolarHBondContact O-N 3.02Å; G427-W429 PolarHBondContact O-N 3.42Å; G427-Y430 WeakPolarHBondContact O-CB 3.41Å; G427-Y430 PolarHBondContact O-N 3.22Å; G427-Y430 VanDerWaalsContact O-N 3.08Å; G427-H431 PolarHBondContact O-CD2 3.32Å; G427-H431 VanDerWaalsContact O-CD2 3.27Å; G427-H431 PolarHBondContact O-N 3.43Å |
| 428 | L | 69.4 | Low | 64.6 | Low | 69 Ų | 69 | 79 Ų | 79 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -54.7 | -39.7 | 168.1 | 176.2 | 67.3 | 0 | 0 | 0 | 110.6 | F128 I129 Y430 H431 L432 | F128-L428 HydrophobicContact CD1-CD2 4.04Å; F128-L428 HydrophobicContact CE1-CD2 3.31Å; F128-L428 HydrophobicContact CE2-CD2 4.29Å; F128-L428 HydrophobicContact CZ-CD2 3.47Å; F128-L428 VanDerWaalsContact CZ-CD2 3.47Å; F128-L428 VanDerWaalsContact O-CB 3.22Å; F128-L428 WeakPolarHBondContact O-CB 3.33Å; F128-L428 PolarHBondContact O-N 2.84Å; I129-L428 PolarHBondContact O-N 2.89Å; L428-Y430 VanDerWaalsContact C-N 3.34Å; L428-Y430 PolarHBondContact O-N 2.92Å; L428-H431 PolarHBondContact O-N 3.01Å; L428-L432 HydrophobicContact CD1-CD1 4.26Å; L428-L432 HydrophobicContact CD1-CG 4.08Å; L428-L432 HydrophobicContact CD2-CD1 4.36Å; L428-L432 HydrophobicContact CG-CD1 3.9Å; L428-L432 HydrophobicContact CG-CG 4.15Å; L428-L432 WeakPolarHBondContact O-CB 3.37Å; L428-L432 VanDerWaalsContact O-CG 3.28Å; L428-L432 WeakPolarHBondContact O-CG 3.23Å; L428-L432 PolarHBondContact O-N 3.3Å |
| 429 | W | 69.2 | Low | 66.7 | Low | 180 Ų | 180 | 77.8 Ų | 77.8 | 68% | 0.682 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 177.5 | -173.8 | -109.2 | 0 | 0 | 0 | 112.4 | G427 R433 | G427-W429 PolarHBondContact O-N 3.42Å; W429-R433 WeakPolarHBondContact O-CB 3.29Å; W429-R433 PolarHBondContact O-N 3.25Å |
| 430 | Y | 71.1 | Confident | 68.9 | Low | 93 Ų | 93 | 81.8 Ų | 81.8 | 37% | 0.365 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 172 | 169.8 | -110.8 | 0 | 0 | 0 | 110.9 | E424 E425 G427 L428 L432 R433 A434 | E424-Y430 WeakPolarHBondContact O-CD2 3.27Å; E424-Y430 WeakPolarHBondContact O-CE2 3.21Å; E425-Y430 VanDerWaalsContact C-CD1 3.45Å; E425-Y430 WeakPolarHBondContact O-CD1 3.38Å; E425-Y430 VanDerWaalsContact O-CE1 3.27Å; E425-Y430 WeakPolarHBondContact O-CE1 3.36Å; G427-Y430 WeakPolarHBondContact O-CB 3.41Å; G427-Y430 PolarHBondContact O-N 3.22Å; G427-Y430 VanDerWaalsContact O-N 3.08Å; L428-Y430 VanDerWaalsContact C-N 3.34Å; L428-Y430 PolarHBondContact O-N 2.92Å; Y430-L432 VanDerWaalsContact C-N 3.34Å; Y430-L432 PolarHBondContact O-N 3.17Å; Y430-R433 PolarHBondContact O-N 3.19Å; Y430-A434 HydrophobicContact CD2-CB 4.37Å; Y430-A434 HydrophobicContact CE1-CB 4.47Å; Y430-A434 HydrophobicContact CE2-CB 4.09Å; Y430-A434 WeakPolarHBondContact O-CB 3.18Å; Y430-A434 PolarHBondContact O-N 3.45Å |
| 431 | H | 75.3 | Confident | 70.7 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 177.5 | -81.1 | -70.8 | 0 | 0 | 0 | 111.8 | G427 L428 T435 W500 | G427-H431 PolarHBondContact O-CD2 3.32Å; G427-H431 VanDerWaalsContact O-CD2 3.27Å; G427-H431 PolarHBondContact O-N 3.43Å; L428-H431 PolarHBondContact O-N 3.01Å; H431-T435 WeakPolarHBondContact O-CB 3.39Å; H431-T435 PolarHBondContact O-N 3.29Å; H431-T435 PolarHBondContact O-OG1 3.02Å; H431-W500 AromaticContact ND1-CH2 3.94Å |
| 432 | L | 79.2 | Confident | 72.1 | Confident | 75 Ų | 75 | 77.9 Ų | 77.9 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 175.5 | -72.4 | 174.1 | 0 | 0 | 0 | 110.6 | L428 Y430 A434 T435 F436 | L428-L432 HydrophobicContact CD1-CD1 4.26Å; L428-L432 HydrophobicContact CD1-CG 4.08Å; L428-L432 HydrophobicContact CD2-CD1 4.36Å; L428-L432 HydrophobicContact CG-CD1 3.9Å; L428-L432 HydrophobicContact CG-CG 4.15Å; L428-L432 WeakPolarHBondContact O-CB 3.37Å; L428-L432 VanDerWaalsContact O-CG 3.28Å; L428-L432 WeakPolarHBondContact O-CG 3.23Å; L428-L432 PolarHBondContact O-N 3.3Å; Y430-L432 VanDerWaalsContact C-N 3.34Å; Y430-L432 PolarHBondContact O-N 3.17Å; L432-A434 PolarHBondContact O-N 3.3Å; L432-T435 WeakPolarHBondContact O-CB 3.36Å; L432-T435 PolarHBondContact O-N 3.37Å; L432-T435 VanDerWaalsContact O-N 3.16Å; L432-F436 VanDerWaalsContact O-CD2 3.25Å; L432-F436 WeakPolarHBondContact O-CD2 3.28Å; L432-F436 PolarHBondContact O-N 2.82Å |
| 433 | R | 79 | Confident | 73.7 | Confident | 169 Ų | 169 | 79.2 Ų | 79.2 | 64% | 0.638 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 179.7 | -178 | 176.6 | 179.7 | 160.3 | 0.3 | 112.6 | W429 Y430 T435 F436 H437 | W429-R433 WeakPolarHBondContact O-CB 3.29Å; W429-R433 PolarHBondContact O-N 3.25Å; Y430-R433 PolarHBondContact O-N 3.19Å; R433-T435 VanDerWaalsContact C-N 3.29Å; R433-F436 PolarHBondContact O-N 2.93Å; R433-H437 VanDerWaalsContact O-CB 3.31Å; R433-H437 WeakPolarHBondContact O-CB 3.49Å; R433-H437 PolarHBondContact O-N 2.85Å |
| 434 | A | 79.3 | Confident | 75 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y430 L432 H437 G438 | Y430-A434 HydrophobicContact CD2-CB 4.37Å; Y430-A434 HydrophobicContact CE1-CB 4.47Å; Y430-A434 HydrophobicContact CE2-CB 4.09Å; Y430-A434 WeakPolarHBondContact O-CB 3.18Å; Y430-A434 PolarHBondContact O-N 3.45Å; L432-A434 PolarHBondContact O-N 3.3Å; A434-H437 PolarHBondContact O-N 3.49Å; A434-G438 PolarHBondContact O-N 3.29Å |
| 435 | T | 83.7 | Confident | 76.7 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -51.5 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | H431 L432 R433 H437 G438 I439 Y493 V496 | H431-T435 WeakPolarHBondContact O-CB 3.39Å; H431-T435 PolarHBondContact O-N 3.29Å; H431-T435 PolarHBondContact O-OG1 3.02Å; L432-T435 WeakPolarHBondContact O-CB 3.36Å; L432-T435 PolarHBondContact O-N 3.37Å; L432-T435 VanDerWaalsContact O-N 3.16Å; R433-T435 VanDerWaalsContact C-N 3.29Å; T435-H437 VanDerWaalsContact C-N 3.31Å; T435-H437 PolarHBondContact O-N 2.93Å; T435-G438 CarbonylContact O-C 3.54Å; T435-G438 WeakPolarHBondContact O-CA 3.2Å; T435-G438 PolarHBondContact O-N 2.88Å; T435-I439 HydrophobicContact CG2-CD1 4.13Å; T435-I439 HydrophobicContact CG2-CG1 4.5Å; T435-I439 VanDerWaalsContact O-CG1 3.26Å; T435-I439 WeakPolarHBondContact O-CG1 3.49Å; T435-I439 PolarHBondContact O-N 3.13Å; T435-Y493 HydrophobicContact CG2-CD2 4.35Å; T435-V496 HydrophobicContact CG2-CB 4.24Å; T435-V496 HydrophobicContact CG2-CG1 3.87Å; T435-V496 HydrophobicContact CG2-CG2 4.32Å |
| 436 | F | 86 | Confident | 78.2 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.2 | -41.2 | 174.8 | -88.4 | -75.8 | 0 | 0 | 0 | 112.8 | L432 R433 I439 L440 F449 | L432-F436 VanDerWaalsContact O-CD2 3.25Å; L432-F436 WeakPolarHBondContact O-CD2 3.28Å; L432-F436 PolarHBondContact O-N 2.82Å; R433-F436 PolarHBondContact O-N 2.93Å; F436-I439 HydrophobicContact CD1-CD1 4.46Å; F436-I439 WeakPolarHBondContact O-CB 3.33Å; F436-I439 PolarHBondContact O-N 3.32Å; F436-L440 WeakPolarHBondContact O-CG 3.31Å; F436-L440 PolarHBondContact O-N 2.71Å; F436-F449 AromaticContact CE1-CE2 3.99Å; F436-F449 HydrophobicContact CE1-CE2 3.99Å; F436-F449 AromaticContact CE1-CZ 3.93Å; F436-F449 HydrophobicContact CE1-CZ 3.93Å |
| 437 | H | 84 | Confident | 79.5 | Confident | 125 Ų | 125 | 71.1 Ų | 71.1 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 174.1 | -172.1 | 69.2 | 0 | 0 | 0 | 110.8 | R433 A434 T435 I439 L440 T441 | R433-H437 VanDerWaalsContact O-CB 3.31Å; R433-H437 WeakPolarHBondContact O-CB 3.49Å; R433-H437 PolarHBondContact O-N 2.85Å; A434-H437 PolarHBondContact O-N 3.49Å; T435-H437 VanDerWaalsContact C-N 3.31Å; T435-H437 PolarHBondContact O-N 2.93Å; H437-I439 VanDerWaalsContact C-N 3.3Å; H437-I439 PolarHBondContact O-N 2.93Å; H437-L440 PolarHBondContact O-N 3.48Å; H437-L440 VanDerWaalsContact O-N 3.11Å; H437-T441 WeakPolarHBondContact O-CG2 3.33Å; H437-T441 PolarHBondContact O-N 3.28Å; H437-T441 PolarHBondContact O-OG1 3Å |
| 438 | G | 81.8 | Confident | 80.6 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.1 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A434 T435 L440 T441 G442 S445 | A434-G438 PolarHBondContact O-N 3.29Å; T435-G438 CarbonylContact O-C 3.54Å; T435-G438 WeakPolarHBondContact O-CA 3.2Å; T435-G438 PolarHBondContact O-N 2.88Å; G438-L440 VanDerWaalsContact C-N 3.34Å; G438-L440 PolarHBondContact O-N 2.89Å; G438-T441 WeakPolarHBondContact CA-OG1 3.44Å; G438-T441 PolarHBondContact O-N 2.87Å; G438-T441 PolarHBondContact O-OG1 3.29Å; G438-G442 PolarHBondContact O-N 2.97Å; G438-G442 VanDerWaalsContact O-N 3.16Å; G438-S445 PolarHBondContact O-OG 3.27Å |
| 439 | I | 86.3 | Confident | 81.7 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.1 | -66.8 | 167.7 | 0 | 0 | 0 | 111.1 | T435 F436 H437 S445 R446 F449 L492 V496 | T435-I439 HydrophobicContact CG2-CD1 4.13Å; T435-I439 HydrophobicContact CG2-CG1 4.5Å; T435-I439 VanDerWaalsContact O-CG1 3.26Å; T435-I439 WeakPolarHBondContact O-CG1 3.49Å; T435-I439 PolarHBondContact O-N 3.13Å; F436-I439 HydrophobicContact CD1-CD1 4.46Å; F436-I439 WeakPolarHBondContact O-CB 3.33Å; F436-I439 PolarHBondContact O-N 3.32Å; H437-I439 VanDerWaalsContact C-N 3.3Å; H437-I439 PolarHBondContact O-N 2.93Å; I439-S445 PolarHBondContact O-OG 3.26Å; I439-R446 WeakPolarHBondContact O-CA 3.25Å; I439-R446 PolarHBondContact O-N 3.06Å; I439-F449 HydrophobicContact CD1-CD2 4.28Å; I439-F449 HydrophobicContact CG2-CB 3.38Å; I439-F449 HydrophobicContact CG2-CD1 3.88Å; I439-F449 HydrophobicContact CG2-CD2 4.01Å; I439-F449 HydrophobicContact CG2-CG 3.48Å; I439-F449 VanDerWaalsContact CG2-CG 3.48Å; I439-L492 HydrophobicContact CD1-CD1 4.39Å; I439-L492 HydrophobicContact CD1-CD2 3.76Å; I439-L492 HydrophobicContact CD1-CG 4.09Å; I439-L492 HydrophobicContact CG1-CD1 3.94Å; I439-L492 HydrophobicContact CG1-CD2 4.24Å; I439-L492 HydrophobicContact CG1-CG 4.12Å; I439-L492 HydrophobicContact CG2-CD1 4.3Å; I439-V496 HydrophobicContact CB-CG2 4.49Å; I439-V496 HydrophobicContact CG1-CG2 3.53Å |
| 440 | L | 84.6 | Confident | 82.8 | Confident | 103 Ų | 103 | 64.8 Ų | 64.8 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.9 | -32.9 | -178.1 | -68.5 | 172.1 | 0 | 0 | 0 | 112.7 | F436 H437 G438 R446 | F436-L440 WeakPolarHBondContact O-CG 3.31Å; F436-L440 PolarHBondContact O-N 2.71Å; H437-L440 PolarHBondContact O-N 3.48Å; H437-L440 VanDerWaalsContact O-N 3.11Å; G438-L440 VanDerWaalsContact C-N 3.34Å; G438-L440 PolarHBondContact O-N 2.89Å; L440-R446 PolarHBondContact O-NH1 3.47Å |
| 441 | T | 81.4 | Confident | 83.7 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.8 | -38.7 | -179.1 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | H437 G438 | H437-T441 WeakPolarHBondContact O-CG2 3.33Å; H437-T441 PolarHBondContact O-N 3.28Å; H437-T441 PolarHBondContact O-OG1 3Å; G438-T441 WeakPolarHBondContact CA-OG1 3.44Å; G438-T441 PolarHBondContact O-N 2.87Å; G438-T441 PolarHBondContact O-OG1 3.29Å |
| 442 | G | 78.3 | Confident | 84.6 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | trans | -82 | 136.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | G438 S445 R446 | G438-G442 PolarHBondContact O-N 2.97Å; G438-G442 VanDerWaalsContact O-N 3.16Å; G442-S445 VanDerWaalsContact CA-OG 3.23Å; G442-S445 WeakPolarHBondContact CA-OG 3.4Å; G442-S445 PolarHBondContact O-OG 2.91Å; G442-S445 VanDerWaalsContact O-OG 3.12Å; G442-R446 WeakPolarHBondContact O-CB 3.5Å; G442-R446 PolarHBondContact O-N 3.03Å | ||
| 443 | Q | 80.1 | Confident | 85.3 | Confident | 112 Ų | 112 | 57 Ų | 57 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.7 | -41.1 | 177.3 | -178.7 | 167.4 | -13.6 | 0 | 0 | 111.6 | R447 | Q443-R447 WeakPolarHBondContact O-CG 3.2Å; Q443-R447 PolarHBondContact O-N 2.87Å |
| 444 | A | 75.4 | Confident | 86 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 12% | 0.116 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -50.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R446 R447 I448 E666 | A444-R446 VanDerWaalsContact C-N 3.32Å; A444-R446 PolarHBondContact O-N 3.42Å; A444-R447 WeakPolarHBondContact O-CB 3.24Å; A444-R447 PolarHBondContact O-N 3.32Å; A444-R447 VanDerWaalsContact O-N 3.08Å; A444-I448 WeakPolarHBondContact O-CG1 3.49Å; A444-I448 PolarHBondContact O-N 3.34Å; A444-E666 WeakPolarHBondContact CB-OE2 3.42Å |
| 445 | S | 85.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -40 | 177.8 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | G438 I439 G442 R447 I448 F449 L492 | G438-S445 PolarHBondContact O-OG 3.27Å; I439-S445 PolarHBondContact O-OG 3.26Å; G442-S445 VanDerWaalsContact CA-OG 3.23Å; G442-S445 WeakPolarHBondContact CA-OG 3.4Å; G442-S445 PolarHBondContact O-OG 2.91Å; G442-S445 VanDerWaalsContact O-OG 3.12Å; S445-R447 PolarHBondContact O-N 2.87Å; S445-I448 PolarHBondContact O-N 2.97Å; S445-F449 VanDerWaalsContact O-CB 3.25Å; S445-F449 WeakPolarHBondContact O-CB 3.43Å; S445-F449 PolarHBondContact O-N 3.45Å; S445-L492 VanDerWaalsContact O-CD1 3.24Å; S445-L492 WeakPolarHBondContact O-CD1 3.5Å |
| 446 | R | 88.6 | Confident | 87.1 | Confident | 116 Ų | 116 | 52.8 Ų | 52.8 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 174.2 | -174.9 | 171.2 | 65 | -121.4 | 1.3 | 113.1 | I439 L440 G442 A444 A450 | I439-R446 WeakPolarHBondContact O-CA 3.25Å; I439-R446 PolarHBondContact O-N 3.06Å; L440-R446 PolarHBondContact O-NH1 3.47Å; G442-R446 WeakPolarHBondContact O-CB 3.5Å; G442-R446 PolarHBondContact O-N 3.03Å; A444-R446 VanDerWaalsContact C-N 3.32Å; A444-R446 PolarHBondContact O-N 3.42Å; R446-A450 WeakPolarHBondContact O-CB 3.39Å; R446-A450 PolarHBondContact O-N 3.12Å |
| 447 | R | 86.7 | Confident | 87.5 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.4 | -48 | 177 | -73 | 169.5 | 177.3 | 176.7 | -1.6 | 111.5 | Q443 A444 S445 F449 A450 F451 | Q443-R447 WeakPolarHBondContact O-CG 3.2Å; Q443-R447 PolarHBondContact O-N 2.87Å; A444-R447 WeakPolarHBondContact O-CB 3.24Å; A444-R447 PolarHBondContact O-N 3.32Å; A444-R447 VanDerWaalsContact O-N 3.08Å; S445-R447 PolarHBondContact O-N 2.87Å; R447-F449 VanDerWaalsContact C-N 3.29Å; R447-F449 PolarHBondContact O-N 3.48Å; R447-A450 PolarHBondContact O-N 3.33Å; R447-F451 PolarHBondContact O-N 2.73Å |
| 448 | I | 88.5 | Confident | 87.9 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 176 | -62.9 | 169.2 | 0 | 0 | 0 | 109.8 | A444 S445 F451 L452 L492 L569 L670 | A444-I448 WeakPolarHBondContact O-CG1 3.49Å; A444-I448 PolarHBondContact O-N 3.34Å; S445-I448 PolarHBondContact O-N 2.97Å; I448-F451 PolarHBondContact O-N 3.15Å; I448-L452 VanDerWaalsContact O-CB 3.31Å; I448-L452 WeakPolarHBondContact O-CB 3.44Å; I448-L452 PolarHBondContact O-N 3.48Å; I448-L492 HydrophobicContact CB-CD1 4.14Å; I448-L492 HydrophobicContact CG2-CB 3.87Å; I448-L492 HydrophobicContact CG2-CD1 4.13Å; I448-L569 HydrophobicContact CG1-CD2 3.89Å; I448-L670 HydrophobicContact CD1-CD1 4.18Å; I448-L670 HydrophobicContact CG1-CD1 4.25Å |
| 449 | F | 92.1 | Very high | 88.3 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 177.9 | 179.4 | -107.8 | 0 | 0 | 0 | 113.1 | F436 I439 S445 R447 F451 L452 C453 L492 | F436-F449 AromaticContact CE1-CE2 3.99Å; F436-F449 HydrophobicContact CE1-CE2 3.99Å; F436-F449 AromaticContact CE1-CZ 3.93Å; F436-F449 HydrophobicContact CE1-CZ 3.93Å; I439-F449 HydrophobicContact CD1-CD2 4.28Å; I439-F449 HydrophobicContact CG2-CB 3.38Å; I439-F449 HydrophobicContact CG2-CD1 3.88Å; I439-F449 HydrophobicContact CG2-CD2 4.01Å; I439-F449 HydrophobicContact CG2-CG 3.48Å; I439-F449 VanDerWaalsContact CG2-CG 3.48Å; S445-F449 VanDerWaalsContact O-CB 3.25Å; S445-F449 WeakPolarHBondContact O-CB 3.43Å; S445-F449 PolarHBondContact O-N 3.45Å; R447-F449 VanDerWaalsContact C-N 3.29Å; R447-F449 PolarHBondContact O-N 3.48Å; F449-F451 VanDerWaalsContact C-N 3.3Å; F449-F451 PolarHBondContact O-N 3.48Å; F449-L452 PolarHBondContact O-N 2.91Å; F449-C453 PolarHBondContact O-N 3Å; F449-C453 PolarHBondContact O-SG 3.11Å; F449-C453 VanDerWaalsContact O-SG 3.39Å; F449-L492 HydrophobicContact CB-CD1 4.06Å; F449-L492 HydrophobicContact CB-CD2 3.95Å; F449-L492 HydrophobicContact CD2-CD2 3.69Å; F449-L492 HydrophobicContact CG-CD2 4.31Å |
| 450 | A | 91.3 | Very high | 88.6 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R446 R447 L454 | R446-A450 WeakPolarHBondContact O-CB 3.39Å; R446-A450 PolarHBondContact O-N 3.12Å; R447-A450 PolarHBondContact O-N 3.33Å; A450-L454 WeakPolarHBondContact O-CB 3.19Å; A450-L454 PolarHBondContact O-N 3.05Å; A450-L454 VanDerWaalsContact O-N 3.11Å |
| 451 | F | 91.5 | Very high | 88.9 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 175.5 | -179.6 | -109.2 | 0 | 0 | 0 | 112.3 | R447 I448 F449 C453 L454 N455 L488 L569 V677 | R447-F451 PolarHBondContact O-N 2.73Å; I448-F451 PolarHBondContact O-N 3.15Å; F449-F451 VanDerWaalsContact C-N 3.3Å; F449-F451 PolarHBondContact O-N 3.48Å; F451-C453 VanDerWaalsContact C-N 3.33Å; F451-C453 PolarHBondContact O-N 3.11Å; F451-L454 PolarHBondContact O-N 3.39Å; F451-L454 VanDerWaalsContact O-N 3.15Å; F451-N455 HydrophobicContact CE1-CB 4.38Å; F451-N455 HydrophobicContact CZ-CB 4.28Å; F451-N455 WeakPolarHBondContact O-CB 3.39Å; F451-N455 PolarHBondContact O-N 3.36Å; F451-L488 HydrophobicContact CD1-CD1 3.77Å; F451-L488 HydrophobicContact CD1-CD2 4.15Å; F451-L488 HydrophobicContact CE1-CD1 3.63Å; F451-L488 HydrophobicContact CE1-CD2 4.23Å; F451-L569 HydrophobicContact CD1-CD1 4.39Å; F451-V677 HydrophobicContact CD1-CG2 4Å; F451-V677 HydrophobicContact CE1-CB 4.3Å; F451-V677 HydrophobicContact CE1-CG1 4.02Å; F451-V677 HydrophobicContact CE1-CG2 3.23Å; F451-V677 HydrophobicContact CE2-CG1 4.37Å; F451-V677 HydrophobicContact CZ-CB 4.41Å; F451-V677 HydrophobicContact CZ-CG1 3.68Å; F451-V677 HydrophobicContact CZ-CG2 3.77Å |
| 452 | L | 92.9 | Very high | 89.2 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -45.8 | 174.1 | 172.5 | 66 | 0 | 0 | 0 | 111.6 | I448 F449 L454 N455 L456 L488 V489 L492 | I448-L452 VanDerWaalsContact O-CB 3.31Å; I448-L452 WeakPolarHBondContact O-CB 3.44Å; I448-L452 PolarHBondContact O-N 3.48Å; F449-L452 PolarHBondContact O-N 2.91Å; L452-L454 VanDerWaalsContact C-N 3.33Å; L452-L454 PolarHBondContact O-N 3.39Å; L452-N455 PolarHBondContact O-N 3.09Å; L452-L456 WeakPolarHBondContact O-CB 3.49Å; L452-L456 PolarHBondContact O-N 3.39Å; L452-L488 HydrophobicContact CD1-CB 3.92Å; L452-L488 HydrophobicContact CD1-CD1 4.28Å; L452-V489 HydrophobicContact CD1-CG2 3.87Å; L452-V489 HydrophobicContact CD2-CG2 3.8Å; L452-L492 HydrophobicContact CD2-CD2 3.9Å |
| 453 | C | 94.7 | Very high | 89.6 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 176.9 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | F449 F451 A457 | F449-C453 PolarHBondContact O-N 3Å; F449-C453 PolarHBondContact O-SG 3.11Å; F449-C453 VanDerWaalsContact O-SG 3.39Å; F451-C453 VanDerWaalsContact C-N 3.33Å; F451-C453 PolarHBondContact O-N 3.11Å; C453-A457 VanDerWaalsContact O-CB 3.24Å; C453-A457 WeakPolarHBondContact O-CB 3.4Å; C453-A457 PolarHBondContact O-N 3.47Å |
| 454 | L | 93.4 | Very high | 90 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 32% | 0.319 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 178.1 | -173.4 | 166.2 | 0 | 0 | 0 | 110.8 | A450 F451 L452 A457 F458 V561 V564 | A450-L454 WeakPolarHBondContact O-CB 3.19Å; A450-L454 PolarHBondContact O-N 3.05Å; A450-L454 VanDerWaalsContact O-N 3.11Å; F451-L454 PolarHBondContact O-N 3.39Å; F451-L454 VanDerWaalsContact O-N 3.15Å; L452-L454 VanDerWaalsContact C-N 3.33Å; L452-L454 PolarHBondContact O-N 3.39Å; L454-A457 PolarHBondContact O-N 3.45Å; L454-F458 PolarHBondContact O-N 3.03Å; L454-V561 HydrophobicContact CD2-CB 3.82Å; L454-V561 HydrophobicContact CD2-CG1 3.22Å; L454-V561 HydrophobicContact CD2-CG2 3.72Å; L454-V564 HydrophobicContact CD1-CB 4.44Å; L454-V564 HydrophobicContact CD1-CG1 3.83Å |
| 455 | N | 91.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 178.8 | -160.2 | 45.2 | 0 | 0 | 0 | 111.1 | F451 L452 A457 F458 T459 S485 L488 | F451-N455 HydrophobicContact CE1-CB 4.38Å; F451-N455 HydrophobicContact CZ-CB 4.28Å; F451-N455 WeakPolarHBondContact O-CB 3.39Å; F451-N455 PolarHBondContact O-N 3.36Å; L452-N455 PolarHBondContact O-N 3.09Å; N455-A457 VanDerWaalsContact C-N 3.34Å; N455-A457 PolarHBondContact O-N 3.11Å; N455-F458 CarbonylContact O-C 3.3Å; N455-F458 WeakPolarHBondContact O-CB 3.37Å; N455-F458 PolarHBondContact O-N 2.93Å; N455-F458 VanDerWaalsContact O-N 3.11Å; N455-T459 PolarHBondContact O-N 3.33Å; N455-T459 PolarHBondContact O-OG1 2.82Å; N455-S485 PolarHBondContact ND2-OG 3.49Å; N455-L488 HydrophobicContact CB-CD1 4.4Å |
| 456 | L | 94 | Very high | 90.3 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 179.1 | -172.1 | 69.2 | 0 | 0 | 0 | 112.2 | L452 F458 T459 F460 L482 | L452-L456 WeakPolarHBondContact O-CB 3.49Å; L452-L456 PolarHBondContact O-N 3.39Å; L456-F458 VanDerWaalsContact C-N 3.3Å; L456-F458 PolarHBondContact O-N 3.26Å; L456-T459 WeakPolarHBondContact O-CB 3.45Å; L456-T459 PolarHBondContact O-N 2.91Å; L456-F460 HydrophobicContact CD1-CD2 4.34Å; L456-F460 HydrophobicContact CD1-CE2 3.82Å; L456-F460 HydrophobicContact CD2-CE2 4.3Å; L456-F460 HydrophobicContact CG-CD2 4.09Å; L456-F460 HydrophobicContact CG-CE2 3.79Å; L456-F460 WeakPolarHBondContact O-CD2 3.45Å; L456-F460 PolarHBondContact O-N 3.3Å; L456-F460 VanDerWaalsContact O-N 3.09Å; L456-L482 HydrophobicContact CD1-CD1 3.66Å |
| 457 | A | 94.3 | Very high | 89.9 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 48% | 0.479 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | C453 L454 N455 F460 V461 | C453-A457 VanDerWaalsContact O-CB 3.24Å; C453-A457 WeakPolarHBondContact O-CB 3.4Å; C453-A457 PolarHBondContact O-N 3.47Å; L454-A457 PolarHBondContact O-N 3.45Å; N455-A457 VanDerWaalsContact C-N 3.34Å; N455-A457 PolarHBondContact O-N 3.11Å; A457-F460 PolarHBondContact O-N 3.05Å; A457-V461 WeakPolarHBondContact O-CG2 2.99Å; A457-V461 PolarHBondContact O-N 3.19Å; A457-V461 VanDerWaalsContact O-N 3.12Å |
| 458 | F | 92.2 | Very high | 89.7 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 6% | 0.057 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 176.6 | -176.4 | -112.7 | 0 | 0 | 0 | 112.4 | L454 N455 L456 F460 V461 E462 M481 V554 L557 G558 V561 | L454-F458 PolarHBondContact O-N 3.03Å; N455-F458 CarbonylContact O-C 3.3Å; N455-F458 WeakPolarHBondContact O-CB 3.37Å; N455-F458 PolarHBondContact O-N 2.93Å; N455-F458 VanDerWaalsContact O-N 3.11Å; L456-F458 VanDerWaalsContact C-N 3.3Å; L456-F458 PolarHBondContact O-N 3.26Å; F458-F460 VanDerWaalsContact C-N 3.29Å; F458-F460 PolarHBondContact O-N 3.36Å; F458-V461 WeakPolarHBondContact O-CA 3.42Å; F458-V461 WeakPolarHBondContact O-CB 3.06Å; F458-V461 PolarHBondContact O-N 2.95Å; F458-E462 HydrophobicContact CD1-CG 4.38Å; F458-E462 HydrophobicContact CE1-CG 3.88Å; F458-E462 WeakPolarHBondContact CE1-OE1 3.26Å; F458-E462 HydrophobicContact CE2-CG 4.15Å; F458-E462 HydrophobicContact CZ-CG 3.75Å; F458-E462 WeakPolarHBondContact CZ-OE1 3.21Å; F458-E462 PolarHBondContact O-N 3.37Å; F458-M481 HydrophobicContact CD1-CE 3.82Å; F458-M481 HydrophobicContact CD1-SD 4.31Å; F458-M481 HydrophobicContact CE1-CE 4Å; F458-M481 HydrophobicContact CE1-SD 4.31Å; F458-V554 HydrophobicContact CZ-CG1 4.24Å; F458-L557 HydrophobicContact CD2-CD2 4.31Å; F458-L557 HydrophobicContact CD2-CG 4.23Å; F458-L557 HydrophobicContact CE2-CB 3.95Å; F458-L557 HydrophobicContact CE2-CD2 3.63Å; F458-L557 HydrophobicContact CE2-CG 3.51Å; F458-L557 HydrophobicContact CZ-CB 4.16Å; F458-L557 HydrophobicContact CZ-CG 4.19Å; F458-G558 VanDerWaalsContact CZ-CA 3.45Å; F458-G558 VanDerWaalsContact CZ-N 3.3Å; F458-V561 HydrophobicContact CB-CG1 4.36Å; F458-V561 HydrophobicContact CB-CG2 4.15Å; F458-V561 HydrophobicContact CD1-CB 4.42Å; F458-V561 HydrophobicContact CD1-CG1 4.28Å; F458-V561 HydrophobicContact CD1-CG2 4.27Å; F458-V561 HydrophobicContact CD2-CG2 4.13Å; F458-V561 HydrophobicContact CG-CG1 4.45Å; F458-V561 HydrophobicContact CG-CG2 3.9Å |
| 459 | T | 91.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.3 | -45 | 171.9 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | N455 L456 E462 L463 G478 M481 L482 | N455-T459 PolarHBondContact O-N 3.33Å; N455-T459 PolarHBondContact O-OG1 2.82Å; L456-T459 WeakPolarHBondContact O-CB 3.45Å; L456-T459 PolarHBondContact O-N 2.91Å; T459-E462 PolarHBondContact O-N 3.31Å; T459-L463 WeakPolarHBondContact O-CB 3.49Å; T459-L463 PolarHBondContact O-N 2.86Å; T459-G478 WeakPolarHBondContact CG2-O 3.24Å; T459-M481 HydrophobicContact CG2-CB 4.11Å; T459-M481 HydrophobicContact CG2-CE 4.43Å; T459-L482 HydrophobicContact CG2-CB 3.88Å; T459-L482 HydrophobicContact CG2-CD1 4.26Å |
| 460 | F | 91.5 | Very high | 88.6 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 41% | 0.408 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | 176.4 | -79.3 | -67.9 | 0 | 0 | 0 | 112.7 | L456 A457 F458 E462 L463 F464 | L456-F460 HydrophobicContact CD1-CD2 4.34Å; L456-F460 HydrophobicContact CD1-CE2 3.82Å; L456-F460 HydrophobicContact CD2-CE2 4.3Å; L456-F460 HydrophobicContact CG-CD2 4.09Å; L456-F460 HydrophobicContact CG-CE2 3.79Å; L456-F460 WeakPolarHBondContact O-CD2 3.45Å; L456-F460 PolarHBondContact O-N 3.3Å; L456-F460 VanDerWaalsContact O-N 3.09Å; A457-F460 PolarHBondContact O-N 3.05Å; F458-F460 VanDerWaalsContact C-N 3.29Å; F458-F460 PolarHBondContact O-N 3.36Å; F460-E462 VanDerWaalsContact C-N 3.32Å; F460-E462 PolarHBondContact O-N 3.16Å; F460-L463 PolarHBondContact O-N 3.07Å; F460-F464 HydrophobicContact CB-CD2 4.31Å; F460-F464 HydrophobicContact CB-CE2 4.18Å; F460-F464 HydrophobicContact CD1-CE2 4.43Å; F460-F464 WeakPolarHBondContact O-CB 3.48Å; F460-F464 WeakPolarHBondContact O-CD2 3.38Å; F460-F464 WeakPolarHBondContact O-CG 2.88Å; F460-F464 PolarHBondContact O-N 3.23Å |
| 461 | V | 91.2 | Very high | 87.9 | Confident | 82 Ų | 82 | 59 Ų | 59 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | A457 F458 Y465 | A457-V461 WeakPolarHBondContact O-CG2 2.99Å; A457-V461 PolarHBondContact O-N 3.19Å; A457-V461 VanDerWaalsContact O-N 3.12Å; F458-V461 WeakPolarHBondContact O-CA 3.42Å; F458-V461 WeakPolarHBondContact O-CB 3.06Å; F458-V461 PolarHBondContact O-N 2.95Å; V461-Y465 VanDerWaalsContact O-CB 3.25Å; V461-Y465 WeakPolarHBondContact O-CB 3.45Å; V461-Y465 PolarHBondContact O-N 2.96Å |
| 462 | E | 88.6 | Confident | 86.9 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.028 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176 | -70.3 | -163.5 | 169.5 | 0 | 0 | 112.7 | F458 T459 F460 F464 Y465 G466 L474 M481 V554 | F458-E462 HydrophobicContact CD1-CG 4.38Å; F458-E462 HydrophobicContact CE1-CG 3.88Å; F458-E462 WeakPolarHBondContact CE1-OE1 3.26Å; F458-E462 HydrophobicContact CE2-CG 4.15Å; F458-E462 HydrophobicContact CZ-CG 3.75Å; F458-E462 WeakPolarHBondContact CZ-OE1 3.21Å; F458-E462 PolarHBondContact O-N 3.37Å; T459-E462 PolarHBondContact O-N 3.31Å; F460-E462 VanDerWaalsContact C-N 3.32Å; F460-E462 PolarHBondContact O-N 3.16Å; E462-F464 PolarHBondContact O-N 3.29Å; E462-Y465 PolarHBondContact O-N 2.82Å; E462-G466 WeakPolarHBondContact O-CA 3.41Å; E462-G466 PolarHBondContact O-N 2.92Å; E462-L474 HydrophobicContact CB-CD1 4.26Å; E462-L474 HydrophobicContact CB-CG 4.49Å; E462-L474 HydrophobicContact CG-CD1 4.39Å; E462-M481 HydrophobicContact CB-CE 4.37Å; E462-M481 HydrophobicContact CG-CE 4Å; E462-M481 WeakPolarHBondContact OE2-CE 2.86Å; E462-V554 HydrophobicContact CG-CG1 3.69Å; E462-V554 WeakPolarHBondContact OE1-CG1 3.36Å |
| 463 | L | 86.8 | Confident | 85.9 | Confident | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 177.9 | -166.2 | 156.8 | 0 | 0 | 0 | 110.6 | T459 F460 G466 V467 F479 | T459-L463 WeakPolarHBondContact O-CB 3.49Å; T459-L463 PolarHBondContact O-N 2.86Å; F460-L463 PolarHBondContact O-N 3.07Å; L463-G466 PolarHBondContact O-N 3.39Å; L463-V467 HydrophobicContact CD2-CG2 4.1Å; L463-V467 VanDerWaalsContact O-CG2 3.31Å; L463-V467 WeakPolarHBondContact O-CG2 3.07Å; L463-V467 PolarHBondContact O-N 3.08Å; L463-F479 HydrophobicContact CD1-CE1 4.2Å; L463-F479 HydrophobicContact CD1-CE2 4.46Å; L463-F479 HydrophobicContact CD1-CZ 4.12Å |
| 464 | F | 87.6 | Confident | 85 | Confident | 137 Ų | 137 | 64.4 Ų | 64.4 | 60% | 0.601 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 176.4 | -75.2 | -56.2 | 0 | 0 | 0 | 112.5 | F460 E462 G466 V467 W468 | F460-F464 HydrophobicContact CB-CD2 4.31Å; F460-F464 HydrophobicContact CB-CE2 4.18Å; F460-F464 HydrophobicContact CD1-CE2 4.43Å; F460-F464 WeakPolarHBondContact O-CB 3.48Å; F460-F464 WeakPolarHBondContact O-CD2 3.38Å; F460-F464 WeakPolarHBondContact O-CG 2.88Å; F460-F464 PolarHBondContact O-N 3.23Å; E462-F464 PolarHBondContact O-N 3.29Å; F464-G466 VanDerWaalsContact C-N 3.32Å; F464-V467 PolarHBondContact O-N 3.11Å; F464-W468 WeakPolarHBondContact O-CB 3.44Å; F464-W468 PolarHBondContact O-N 3Å |
| 465 | Y | 85.9 | Confident | 84.1 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 40% | 0.404 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 177.1 | -171.7 | -110.6 | 0 | 0 | 0 | 111.5 | V461 E462 W468 T469 L474 V554 | V461-Y465 VanDerWaalsContact O-CB 3.25Å; V461-Y465 WeakPolarHBondContact O-CB 3.45Å; V461-Y465 PolarHBondContact O-N 2.96Å; E462-Y465 PolarHBondContact O-N 2.82Å; Y465-W468 PolarHBondContact O-N 3.35Å; Y465-T469 HydrophobicContact CD1-CG2 4.35Å; Y465-T469 HydrophobicContact CD2-CG2 4.19Å; Y465-T469 HydrophobicContact CE1-CG2 4Å; Y465-T469 HydrophobicContact CE2-CG2 3.84Å; Y465-T469 HydrophobicContact CG-CG2 4.43Å; Y465-T469 WeakPolarHBondContact O-CB 3.22Å; Y465-T469 VanDerWaalsContact O-CG2 3.31Å; Y465-T469 WeakPolarHBondContact O-CG2 3.33Å; Y465-T469 PolarHBondContact O-N 3.47Å; Y465-T469 PolarHBondContact O-OG1 3.29Å; Y465-L474 HydrophobicContact CD1-CD2 3.46Å; Y465-L474 VanDerWaalsContact CD1-CD2 3.46Å; Y465-L474 HydrophobicContact CE1-CD2 4.29Å; Y465-L474 HydrophobicContact CG-CD2 4.32Å; Y465-V554 HydrophobicContact CD1-CG2 3.91Å; Y465-V554 HydrophobicContact CE1-CG2 3.94Å |
| 466 | G | 82.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E462 L463 F464 T469 N470 S471 | E462-G466 WeakPolarHBondContact O-CA 3.41Å; E462-G466 PolarHBondContact O-N 2.92Å; L463-G466 PolarHBondContact O-N 3.39Å; F464-G466 VanDerWaalsContact C-N 3.32Å; G466-T469 PolarHBondContact O-N 3.14Å; G466-T469 PolarHBondContact O-OG1 2.91Å; G466-N470 CarbonylContact O-C 3.12Å; G466-N470 WeakPolarHBondContact O-CA 3.48Å; G466-N470 PolarHBondContact O-N 2.79Å; G466-S471 PolarHBondContact O-N 3.46Å |
| 467 | V | 79.1 | Confident | 82.8 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 42% | 0.424 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L463 F464 T469 N470 I475 | L463-V467 HydrophobicContact CD2-CG2 4.1Å; L463-V467 VanDerWaalsContact O-CG2 3.31Å; L463-V467 WeakPolarHBondContact O-CG2 3.07Å; L463-V467 PolarHBondContact O-N 3.08Å; F464-V467 PolarHBondContact O-N 3.11Å; V467-T469 VanDerWaalsContact C-N 3.32Å; V467-T469 PolarHBondContact O-N 3.16Å; V467-N470 PolarHBondContact O-N 3.34Å; V467-N470 VanDerWaalsContact O-N 3.17Å; V467-N470 PolarHBondContact O-OD1 3.41Å; V467-I475 HydrophobicContact CG2-CD1 4Å; V467-I475 HydrophobicContact CG2-CG1 4.21Å |
| 468 | W | 81.7 | Confident | 82.3 | Confident | 228 Ų | 228 | 63.7 Ų | 63.7 | 86% | 0.864 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 178.9 | -168.3 | -47.4 | 0 | 0 | 0 | 111.5 | F464 Y465 N470 | F464-W468 WeakPolarHBondContact O-CB 3.44Å; F464-W468 PolarHBondContact O-N 3Å; Y465-W468 PolarHBondContact O-N 3.35Å; W468-N470 VanDerWaalsContact C-N 3.27Å; W468-N470 PolarHBondContact O-N 2.92Å |
| 469 | T | 81.2 | Confident | 81.8 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.4 | -177.8 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | Y465 G466 V467 S471 K550 | Y465-T469 HydrophobicContact CD1-CG2 4.35Å; Y465-T469 HydrophobicContact CD2-CG2 4.19Å; Y465-T469 HydrophobicContact CE1-CG2 4Å; Y465-T469 HydrophobicContact CE2-CG2 3.84Å; Y465-T469 HydrophobicContact CG-CG2 4.43Å; Y465-T469 WeakPolarHBondContact O-CB 3.22Å; Y465-T469 VanDerWaalsContact O-CG2 3.31Å; Y465-T469 WeakPolarHBondContact O-CG2 3.33Å; Y465-T469 PolarHBondContact O-N 3.47Å; Y465-T469 PolarHBondContact O-OG1 3.29Å; G466-T469 PolarHBondContact O-N 3.14Å; G466-T469 PolarHBondContact O-OG1 2.91Å; V467-T469 VanDerWaalsContact C-N 3.32Å; V467-T469 PolarHBondContact O-N 3.16Å; T469-S471 PolarHBondContact O-N 3.4Å; T469-S471 WeakPolarHBondContact OG1-CB 3.31Å; T469-K550 HydrophobicContact CG2-CD 4.49Å |
| 470 | N | 77.7 | Confident | 81.4 | Confident | 145 Ų | 145 | 72.9 Ų | 72.9 | 78% | 0.775 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38 | -171.4 | -71.9 | -46 | 0 | 0 | 0 | 112.7 | G466 V467 W468 | G466-N470 CarbonylContact O-C 3.12Å; G466-N470 WeakPolarHBondContact O-CA 3.48Å; G466-N470 PolarHBondContact O-N 2.79Å; V467-N470 PolarHBondContact O-N 3.34Å; V467-N470 VanDerWaalsContact O-N 3.17Å; V467-N470 PolarHBondContact O-OD1 3.41Å; W468-N470 VanDerWaalsContact C-N 3.27Å; W468-N470 PolarHBondContact O-N 2.92Å |
| 471 | S | 75.2 | Confident | 81.2 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | trans | -93.7 | 98.5 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | G466 T469 G473 L474 I475 | G466-S471 PolarHBondContact O-N 3.46Å; T469-S471 PolarHBondContact O-N 3.4Å; T469-S471 WeakPolarHBondContact OG1-CB 3.31Å; S471-G473 PolarHBondContact O-N 2.88Å; S471-L474 PolarHBondContact O-N 3Å; S471-L474 VanDerWaalsContact O-N 3.14Å; S471-L474 PolarHBondContact OG-N 2.92Å; S471-I475 WeakPolarHBondContact O-CG1 3.42Å; S471-I475 PolarHBondContact O-N 2.97Å | ||
| 472 | L | 71.2 | Confident | 80.9 | Confident | 146 Ų | 146 | 68.2 Ų | 68.2 | 76% | 0.764 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.9 | -38 | 175.5 | -165.9 | 89.1 | 0 | 0 | 0 | 111.8 | L474 I475 S476 | L472-L474 VanDerWaalsContact C-N 3.34Å; L472-L474 PolarHBondContact O-N 3.31Å; L472-I475 PolarHBondContact O-N 3.08Å; L472-S476 WeakPolarHBondContact O-CB 3.41Å; L472-S476 PolarHBondContact O-N 2.82Å |
| 473 | G | 71.4 | Confident | 80.7 | Confident | 48 Ų | 48 | 75 Ų | 75 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S471 S476 D477 | S471-G473 PolarHBondContact O-N 2.88Å; G473-S476 PolarHBondContact O-N 3.03Å; G473-D477 PolarHBondContact O-N 3.31Å |
| 474 | L | 77.2 | Confident | 80.5 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -75.4 | -34.3 | 179.6 | -172.3 | 64.9 | 0 | 0 | 0 | 112.8 | E462 Y465 S471 L472 S476 D477 G478 V554 | E462-L474 HydrophobicContact CB-CD1 4.26Å; E462-L474 HydrophobicContact CB-CG 4.49Å; E462-L474 HydrophobicContact CG-CD1 4.39Å; Y465-L474 HydrophobicContact CD1-CD2 3.46Å; Y465-L474 VanDerWaalsContact CD1-CD2 3.46Å; Y465-L474 HydrophobicContact CE1-CD2 4.29Å; Y465-L474 HydrophobicContact CG-CD2 4.32Å; S471-L474 PolarHBondContact O-N 3Å; S471-L474 VanDerWaalsContact O-N 3.14Å; S471-L474 PolarHBondContact OG-N 2.92Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L472-L474 PolarHBondContact O-N 3.31Å; L474-S476 VanDerWaalsContact C-N 3.31Å; L474-D477 PolarHBondContact O-N 3.39Å; L474-G478 PolarHBondContact O-N 3.13Å; L474-V554 HydrophobicContact CD1-CB 4.27Å; L474-V554 HydrophobicContact CD1-CG1 3.67Å; L474-V554 HydrophobicContact CD1-CG2 4.39Å; L474-V554 HydrophobicContact CD2-CG2 4.16Å |
| 475 | I | 74.7 | Confident | 80.6 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 171.7 | -65.8 | 168.5 | 0 | 0 | 0 | 110 | V467 S471 L472 D477 G478 F479 | V467-I475 HydrophobicContact CG2-CD1 4Å; V467-I475 HydrophobicContact CG2-CG1 4.21Å; S471-I475 WeakPolarHBondContact O-CG1 3.42Å; S471-I475 PolarHBondContact O-N 2.97Å; L472-I475 PolarHBondContact O-N 3.08Å; I475-D477 VanDerWaalsContact C-N 3.35Å; I475-G478 PolarHBondContact O-N 3.43Å; I475-F479 HydrophobicContact CG2-CD2 3.79Å; I475-F479 HydrophobicContact CG2-CE2 3.6Å; I475-F479 WeakPolarHBondContact O-CD2 3.3Å; I475-F479 PolarHBondContact O-N 2.98Å |
| 476 | S | 75.1 | Confident | 80.7 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176.6 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | L472 G473 L474 F479 H480 | L472-S476 WeakPolarHBondContact O-CB 3.41Å; L472-S476 PolarHBondContact O-N 2.82Å; G473-S476 PolarHBondContact O-N 3.03Å; L474-S476 VanDerWaalsContact C-N 3.31Å; S476-F479 PolarHBondContact O-N 3.3Å; S476-H480 PolarHBondContact O-CD2 3.44Å; S476-H480 PolarHBondContact O-N 3.22Å |
| 477 | D | 81.4 | Confident | 80.9 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 177.4 | -157 | 26 | 0 | 0 | 0 | 111.6 | G473 L474 I475 F479 H480 M481 | G473-D477 PolarHBondContact O-N 3.31Å; L474-D477 PolarHBondContact O-N 3.39Å; I475-D477 VanDerWaalsContact C-N 3.35Å; D477-F479 VanDerWaalsContact C-N 3.31Å; D477-F479 PolarHBondContact O-N 3.28Å; D477-H480 WeakPolarHBondContact O-CA 3.12Å; D477-H480 WeakPolarHBondContact O-CB 3.17Å; D477-H480 PolarHBondContact O-N 2.93Å; D477-M481 PolarHBondContact O-N 2.81Å |
| 478 | G | 85.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.8 | -40 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T459 L474 I475 L482 | T459-G478 WeakPolarHBondContact CG2-O 3.24Å; L474-G478 PolarHBondContact O-N 3.13Å; I475-G478 PolarHBondContact O-N 3.43Å; G478-L482 WeakPolarHBondContact O-CB 3.25Å; G478-L482 PolarHBondContact O-N 3.38Å |
| 479 | F | 81.4 | Confident | 81.9 | Confident | 98 Ų | 98 | 55.7 Ų | 55.7 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69 | -37.1 | 173.3 | -80.1 | -63.5 | 0 | 0 | 0 | 113.1 | L463 I475 S476 D477 L482 F483 | L463-F479 HydrophobicContact CD1-CE1 4.2Å; L463-F479 HydrophobicContact CD1-CE2 4.46Å; L463-F479 HydrophobicContact CD1-CZ 4.12Å; I475-F479 HydrophobicContact CG2-CD2 3.79Å; I475-F479 HydrophobicContact CG2-CE2 3.6Å; I475-F479 WeakPolarHBondContact O-CD2 3.3Å; I475-F479 PolarHBondContact O-N 2.98Å; S476-F479 PolarHBondContact O-N 3.3Å; D477-F479 VanDerWaalsContact C-N 3.31Å; D477-F479 PolarHBondContact O-N 3.28Å; F479-L482 HydrophobicContact CD1-CD2 4.21Å; F479-L482 WeakPolarHBondContact O-CB 3.36Å; F479-L482 PolarHBondContact O-N 2.98Å; F479-F483 WeakPolarHBondContact O-CD2 3.33Å; F479-F483 PolarHBondContact O-N 2.86Å; F479-F483 VanDerWaalsContact O-N 3.08Å |
| 480 | H | 83 | Confident | 82.4 | Confident | 110 Ų | 110 | 57.1 Ų | 57.1 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59 | -51.2 | 173 | -81.5 | -65.4 | 0 | 0 | 0 | 111.1 | S476 D477 L482 F483 D484 | S476-H480 PolarHBondContact O-CD2 3.44Å; S476-H480 PolarHBondContact O-N 3.22Å; D477-H480 WeakPolarHBondContact O-CA 3.12Å; D477-H480 WeakPolarHBondContact O-CB 3.17Å; D477-H480 PolarHBondContact O-N 2.93Å; H480-L482 PolarHBondContact O-N 3.42Å; H480-F483 PolarHBondContact O-N 3.47Å; H480-D484 VanDerWaalsContact O-CG 3.3Å; H480-D484 PolarHBondContact O-N 2.89Å |
| 481 | M | 86.5 | Confident | 83 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -29.6 | 177 | -66.3 | -158.3 | -48.6 | 0 | 0 | 113.5 | F458 T459 E462 D477 D484 S485 | F458-M481 HydrophobicContact CD1-CE 3.82Å; F458-M481 HydrophobicContact CD1-SD 4.31Å; F458-M481 HydrophobicContact CE1-CE 4Å; F458-M481 HydrophobicContact CE1-SD 4.31Å; T459-M481 HydrophobicContact CG2-CB 4.11Å; T459-M481 HydrophobicContact CG2-CE 4.43Å; E462-M481 HydrophobicContact CB-CE 4.37Å; E462-M481 HydrophobicContact CG-CE 4Å; E462-M481 WeakPolarHBondContact OE2-CE 2.86Å; D477-M481 PolarHBondContact O-N 2.81Å; M481-D484 PolarHBondContact O-N 3.44Å; M481-S485 WeakPolarHBondContact O-CB 3.49Å; M481-S485 PolarHBondContact O-N 3.08Å; M481-S485 PolarHBondContact O-OG 3.02Å |
| 482 | L | 85.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 29% | 0.293 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 174 | -171.5 | 68.8 | 0 | 0 | 0 | 111.3 | L456 T459 G478 F479 H480 S485 A486 | L456-L482 HydrophobicContact CD1-CD1 3.66Å; T459-L482 HydrophobicContact CG2-CB 3.88Å; T459-L482 HydrophobicContact CG2-CD1 4.26Å; G478-L482 WeakPolarHBondContact O-CB 3.25Å; G478-L482 PolarHBondContact O-N 3.38Å; F479-L482 HydrophobicContact CD1-CD2 4.21Å; F479-L482 WeakPolarHBondContact O-CB 3.36Å; F479-L482 PolarHBondContact O-N 2.98Å; H480-L482 PolarHBondContact O-N 3.42Å; L482-S485 WeakPolarHBondContact O-CB 3.46Å; L482-S485 PolarHBondContact O-N 3.43Å; L482-A486 PolarHBondContact O-N 3.04Å |
| 483 | F | 83.3 | Confident | 84.8 | Confident | 148 Ų | 148 | 48 Ų | 48 | 65% | 0.649 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -69.9 | -35.3 | 174.2 | -73.3 | -62.2 | 0 | 0 | 0 | 112.2 | F479 H480 S485 A486 | F479-F483 WeakPolarHBondContact O-CD2 3.33Å; F479-F483 PolarHBondContact O-N 2.86Å; F479-F483 VanDerWaalsContact O-N 3.08Å; H480-F483 PolarHBondContact O-N 3.47Å; F483-S485 VanDerWaalsContact C-N 3.33Å; F483-A486 WeakPolarHBondContact O-CA 3.23Å; F483-A486 WeakPolarHBondContact O-CB 3.31Å; F483-A486 PolarHBondContact O-N 3.35Å |
| 484 | D | 84.4 | Confident | 85.7 | Confident | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 173.8 | -71 | -26.6 | 0 | 0 | 0 | 111.4 | H480 M481 A486 A487 H676 | H480-D484 VanDerWaalsContact O-CG 3.3Å; H480-D484 PolarHBondContact O-N 2.89Å; M481-D484 PolarHBondContact O-N 3.44Å; D484-A486 PolarHBondContact O-N 3.12Å; D484-A486 VanDerWaalsContact O-N 3.1Å; D484-A487 VanDerWaalsContact O-CB 3.28Å; D484-A487 WeakPolarHBondContact O-CB 3.32Å; D484-A487 PolarHBondContact O-N 3.5Å; D484-H676 WeakPolarHBondContact CB-NE2 3.32Å; D484-H676 PolarHBondContact O-NE2 2.68Å; D484-H676 IonicContact OD1-CE1 2.76Å; D484-H676 PolarHBondContact OD1-CE1 3.01Å |
| 485 | S | 89.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -22.8 | 170.8 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | N455 M481 L482 F483 A487 L488 V489 | N455-S485 PolarHBondContact ND2-OG 3.49Å; M481-S485 WeakPolarHBondContact O-CB 3.49Å; M481-S485 PolarHBondContact O-N 3.08Å; M481-S485 PolarHBondContact O-OG 3.02Å; L482-S485 WeakPolarHBondContact O-CB 3.46Å; L482-S485 PolarHBondContact O-N 3.43Å; F483-S485 VanDerWaalsContact C-N 3.33Å; S485-A487 VanDerWaalsContact C-N 3.29Å; S485-A487 PolarHBondContact O-N 3.21Å; S485-L488 WeakPolarHBondContact O-CB 3.08Å; S485-L488 PolarHBondContact O-N 3.27Å; S485-V489 WeakPolarHBondContact O-CG2 3.27Å; S485-V489 PolarHBondContact O-N 2.92Å |
| 486 | A | 86.9 | Confident | 86.9 | Confident | 48 Ų | 48 | 44.3 Ų | 44.3 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.6 | -33.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L482 F483 D484 V489 V490 | L482-A486 PolarHBondContact O-N 3.04Å; F483-A486 WeakPolarHBondContact O-CA 3.23Å; F483-A486 WeakPolarHBondContact O-CB 3.31Å; F483-A486 PolarHBondContact O-N 3.35Å; D484-A486 PolarHBondContact O-N 3.12Å; D484-A486 VanDerWaalsContact O-N 3.1Å; A486-V489 PolarHBondContact O-N 3.1Å; A486-V490 WeakPolarHBondContact O-CG2 3.31Å; A486-V490 PolarHBondContact O-N 2.87Å |
| 487 | A | 87 | Confident | 87.4 | Confident | 9 Ų | 9 | 42 Ų | 42 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D484 S485 V489 V490 G491 N521 | D484-A487 VanDerWaalsContact O-CB 3.28Å; D484-A487 WeakPolarHBondContact O-CB 3.32Å; D484-A487 PolarHBondContact O-N 3.5Å; S485-A487 VanDerWaalsContact C-N 3.29Å; S485-A487 PolarHBondContact O-N 3.21Å; A487-V489 PolarHBondContact O-N 3Å; A487-V490 PolarHBondContact O-N 3.26Å; A487-G491 PolarHBondContact O-N 2.98Å; A487-N521 WeakPolarHBondContact CB-OD1 3.46Å |
| 488 | L | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 172.1 | -64.1 | 176.3 | 0 | 0 | 0 | 112.4 | F451 L452 N455 S485 G491 L492 V673 V677 | F451-L488 HydrophobicContact CD1-CD1 3.77Å; F451-L488 HydrophobicContact CD1-CD2 4.15Å; F451-L488 HydrophobicContact CE1-CD1 3.63Å; F451-L488 HydrophobicContact CE1-CD2 4.23Å; L452-L488 HydrophobicContact CD1-CB 3.92Å; L452-L488 HydrophobicContact CD1-CD1 4.28Å; N455-L488 HydrophobicContact CB-CD1 4.4Å; S485-L488 WeakPolarHBondContact O-CB 3.08Å; S485-L488 PolarHBondContact O-N 3.27Å; L488-G491 PolarHBondContact O-N 3.37Å; L488-L492 VanDerWaalsContact O-CB 3.3Å; L488-L492 WeakPolarHBondContact O-CB 3.37Å; L488-L492 PolarHBondContact O-N 2.8Å; L488-V673 HydrophobicContact CD2-CB 4.34Å; L488-V673 HydrophobicContact CD2-CG1 3.36Å; L488-V673 HydrophobicContact CD2-CG2 4.35Å; L488-V677 HydrophobicContact CD2-CG2 4.23Å |
| 489 | V | 92.6 | Very high | 87.4 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 111 | L452 S485 A486 A487 G491 L492 Y493 | L452-V489 HydrophobicContact CD1-CG2 3.87Å; L452-V489 HydrophobicContact CD2-CG2 3.8Å; S485-V489 WeakPolarHBondContact O-CG2 3.27Å; S485-V489 PolarHBondContact O-N 2.92Å; A486-V489 PolarHBondContact O-N 3.1Å; A487-V489 PolarHBondContact O-N 3Å; V489-G491 VanDerWaalsContact C-N 3.32Å; V489-G491 PolarHBondContact O-N 3.29Å; V489-L492 PolarHBondContact O-N 3.46Å; V489-Y493 VanDerWaalsContact O-CB 3.31Å; V489-Y493 WeakPolarHBondContact O-CB 3.31Å; V489-Y493 PolarHBondContact O-N 3.31Å |
| 490 | V | 91.7 | Very high | 87.5 | Confident | 62 Ų | 62 | 42.2 Ų | 42.2 | 38% | 0.376 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | A486 A487 Y493 A494 | A486-V490 WeakPolarHBondContact O-CG2 3.31Å; A486-V490 PolarHBondContact O-N 2.87Å; A487-V490 PolarHBondContact O-N 3.26Å; V490-Y493 PolarHBondContact O-N 3.19Å; V490-A494 WeakPolarHBondContact O-CB 3.2Å; V490-A494 PolarHBondContact O-N 3.3Å |
| 491 | G | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A487 L488 V489 A494 A495 S517 N669 | A487-G491 PolarHBondContact O-N 2.98Å; L488-G491 PolarHBondContact O-N 3.37Å; V489-G491 VanDerWaalsContact C-N 3.32Å; V489-G491 PolarHBondContact O-N 3.29Å; G491-A494 PolarHBondContact O-N 3.12Å; G491-A495 WeakPolarHBondContact O-CB 3.42Å; G491-A495 PolarHBondContact O-N 3.34Å; G491-S517 WeakPolarHBondContact CA-OG 3.34Å; G491-N669 WeakPolarHBondContact CA-OD1 3.3Å; G491-N669 PolarHBondContact O-ND2 3.37Å |
| 492 | L | 91.8 | Very high | 86.9 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.8 | -178.6 | 61.6 | 0 | 0 | 0 | 111.6 | I439 S445 I448 F449 L452 L488 V489 A495 V496 | I439-L492 HydrophobicContact CD1-CD1 4.39Å; I439-L492 HydrophobicContact CD1-CD2 3.76Å; I439-L492 HydrophobicContact CD1-CG 4.09Å; I439-L492 HydrophobicContact CG1-CD1 3.94Å; I439-L492 HydrophobicContact CG1-CD2 4.24Å; I439-L492 HydrophobicContact CG1-CG 4.12Å; I439-L492 HydrophobicContact CG2-CD1 4.3Å; S445-L492 VanDerWaalsContact O-CD1 3.24Å; S445-L492 WeakPolarHBondContact O-CD1 3.5Å; I448-L492 HydrophobicContact CB-CD1 4.14Å; I448-L492 HydrophobicContact CG2-CB 3.87Å; I448-L492 HydrophobicContact CG2-CD1 4.13Å; F449-L492 HydrophobicContact CB-CD1 4.06Å; F449-L492 HydrophobicContact CB-CD2 3.95Å; F449-L492 HydrophobicContact CD2-CD2 3.69Å; F449-L492 HydrophobicContact CG-CD2 4.31Å; L452-L492 HydrophobicContact CD2-CD2 3.9Å; L488-L492 VanDerWaalsContact O-CB 3.3Å; L488-L492 WeakPolarHBondContact O-CB 3.37Å; L488-L492 PolarHBondContact O-N 2.8Å; V489-L492 PolarHBondContact O-N 3.46Å; L492-A495 PolarHBondContact O-N 3.06Å; L492-V496 VanDerWaalsContact O-CG2 3.31Å; L492-V496 WeakPolarHBondContact O-CG2 3.5Å; L492-V496 PolarHBondContact O-N 3.4Å |
| 493 | Y | 90.8 | Very high | 86.5 | Confident | 121 Ų | 121 | 48.7 Ų | 48.7 | 48% | 0.475 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 179.5 | -178 | -109.6 | 0 | 0 | 0 | 111.4 | T435 V489 V490 A495 V496 V497 | T435-Y493 HydrophobicContact CG2-CD2 4.35Å; V489-Y493 VanDerWaalsContact O-CB 3.31Å; V489-Y493 WeakPolarHBondContact O-CB 3.31Å; V489-Y493 PolarHBondContact O-N 3.31Å; V490-Y493 PolarHBondContact O-N 3.19Å; Y493-A495 VanDerWaalsContact C-N 3.34Å; Y493-A495 PolarHBondContact O-N 2.93Å; Y493-V496 PolarHBondContact O-N 3.38Å; Y493-V496 VanDerWaalsContact O-N 3.12Å; Y493-V497 HydrophobicContact CD1-CG2 4.03Å; Y493-V497 HydrophobicContact CD2-CG2 4.06Å; Y493-V497 HydrophobicContact CE1-CG2 3.62Å; Y493-V497 HydrophobicContact CE2-CG2 3.65Å; Y493-V497 HydrophobicContact CG-CG2 4.24Å; Y493-V497 VanDerWaalsContact CZ-CG2 3.41Å; Y493-V497 WeakPolarHBondContact O-CB 3.49Å; Y493-V497 WeakPolarHBondContact O-CG2 3.35Å; Y493-V497 PolarHBondContact O-N 3.17Å |
| 494 | A | 90.8 | Very high | 86.1 | Confident | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V490 G491 V496 V497 S498 S517 | V490-A494 WeakPolarHBondContact O-CB 3.2Å; V490-A494 PolarHBondContact O-N 3.3Å; G491-A494 PolarHBondContact O-N 3.12Å; A494-V496 PolarHBondContact O-N 3.48Å; A494-V497 PolarHBondContact O-N 3.49Å; A494-S498 WeakPolarHBondContact O-CB 3.43Å; A494-S498 PolarHBondContact O-N 2.97Å; A494-S498 PolarHBondContact O-OG 2.9Å; A494-S517 VanDerWaalsContact CB-CB 3.46Å |
| 495 | A | 88.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -26.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G491 L492 Y493 S498 H499 | G491-A495 WeakPolarHBondContact O-CB 3.42Å; G491-A495 PolarHBondContact O-N 3.34Å; L492-A495 PolarHBondContact O-N 3.06Å; Y493-A495 VanDerWaalsContact C-N 3.34Å; Y493-A495 PolarHBondContact O-N 2.93Å; A495-S498 PolarHBondContact O-OG 3.44Å; A495-S498 VanDerWaalsContact O-OG 3.06Å; A495-H499 PolarHBondContact O-CD2 2.89Å; A495-H499 VanDerWaalsContact O-CD2 3.31Å |
| 496 | V | 88.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -86.4 | -41.5 | 177.8 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | T435 I439 L492 Y493 A494 S498 H499 | T435-V496 HydrophobicContact CG2-CB 4.24Å; T435-V496 HydrophobicContact CG2-CG1 3.87Å; T435-V496 HydrophobicContact CG2-CG2 4.32Å; I439-V496 HydrophobicContact CB-CG2 4.49Å; I439-V496 HydrophobicContact CG1-CG2 3.53Å; L492-V496 VanDerWaalsContact O-CG2 3.31Å; L492-V496 WeakPolarHBondContact O-CG2 3.5Å; L492-V496 PolarHBondContact O-N 3.4Å; Y493-V496 PolarHBondContact O-N 3.38Å; Y493-V496 VanDerWaalsContact O-N 3.12Å; A494-V496 PolarHBondContact O-N 3.48Å; V496-S498 VanDerWaalsContact C-N 3.32Å; V496-S498 PolarHBondContact O-N 3.32Å; V496-H499 PolarHBondContact O-N 3.38Å |
| 497 | V | 85.3 | Confident | 85.3 | Confident | 10 Ų | 10 | 67 Ų | 67 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 180 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | Y493 A494 H499 W500 Y510 A513 | Y493-V497 HydrophobicContact CD1-CG2 4.03Å; Y493-V497 HydrophobicContact CD2-CG2 4.06Å; Y493-V497 HydrophobicContact CE1-CG2 3.62Å; Y493-V497 HydrophobicContact CE2-CG2 3.65Å; Y493-V497 HydrophobicContact CG-CG2 4.24Å; Y493-V497 VanDerWaalsContact CZ-CG2 3.41Å; Y493-V497 WeakPolarHBondContact O-CB 3.49Å; Y493-V497 WeakPolarHBondContact O-CG2 3.35Å; Y493-V497 PolarHBondContact O-N 3.17Å; A494-V497 PolarHBondContact O-N 3.49Å; V497-H499 PolarHBondContact O-N 3.24Å; V497-W500 HydrophobicContact CB-CD2 4.45Å; V497-W500 HydrophobicContact CG1-CD2 4.34Å; V497-W500 HydrophobicContact CG1-CE3 4.03Å; V497-W500 HydrophobicContact CG1-CZ3 4.28Å; V497-W500 HydrophobicContact CG2-CD2 4.35Å; V497-W500 HydrophobicContact CG2-CE3 4.34Å; V497-W500 HydrophobicContact CG2-CH2 3.83Å; V497-W500 HydrophobicContact CG2-CZ2 3.82Å; V497-W500 HydrophobicContact CG2-CZ3 4.09Å; V497-W500 VanDerWaalsContact O-CB 3.27Å; V497-W500 WeakPolarHBondContact O-CB 3.43Å; V497-W500 PolarHBondContact O-N 2.73Å; V497-Y510 HydrophobicContact CG1-CD1 4.04Å; V497-Y510 HydrophobicContact CG1-CG 4.11Å; V497-Y510 WeakPolarHBondContact O-CB 3.49Å; V497-A513 HydrophobicContact CG1-CB 4.19Å |
| 498 | S | 84.9 | Confident | 85 | Confident | 5 Ų | 5 | 71 Ų | 71 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.4 | 176.4 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | A494 A495 V496 W500 N511 E514 | A494-S498 WeakPolarHBondContact O-CB 3.43Å; A494-S498 PolarHBondContact O-N 2.97Å; A494-S498 PolarHBondContact O-OG 2.9Å; A495-S498 PolarHBondContact O-OG 3.44Å; A495-S498 VanDerWaalsContact O-OG 3.06Å; V496-S498 VanDerWaalsContact C-N 3.32Å; V496-S498 PolarHBondContact O-N 3.32Å; S498-W500 VanDerWaalsContact C-N 3.3Å; S498-W500 PolarHBondContact O-N 3.45Å; S498-N511 PolarHBondContact O-OD1 3.44Å; S498-E514 VanDerWaalsContact CB-CD 3.44Å; S498-E514 VanDerWaalsContact CB-OE1 3.25Å; S498-E514 WeakPolarHBondContact CB-OE1 3.14Å; S498-E514 PolarHBondContact OG-OE1 3.1Å |
| 499 | H | 83 | Confident | 84.8 | Confident | 95 Ų | 95 | 71.4 Ų | 71.4 | 44% | 0.44 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.8 | 176.7 | -66 | -38 | 0 | 0 | 0 | 114.4 | A495 V496 V497 | A495-H499 PolarHBondContact O-CD2 2.89Å; A495-H499 VanDerWaalsContact O-CD2 3.31Å; V496-H499 PolarHBondContact O-N 3.38Å; V497-H499 PolarHBondContact O-N 3.24Å |
| 500 | W | 82.4 | Confident | 84.5 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -70.4 | 145.4 | 178.2 | -67.2 | 1.6 | 0 | 0 | 0 | 112 | H431 V497 S498 Y510 | H431-W500 AromaticContact ND1-CH2 3.94Å; V497-W500 HydrophobicContact CB-CD2 4.45Å; V497-W500 HydrophobicContact CG1-CD2 4.34Å; V497-W500 HydrophobicContact CG1-CE3 4.03Å; V497-W500 HydrophobicContact CG1-CZ3 4.28Å; V497-W500 HydrophobicContact CG2-CD2 4.35Å; V497-W500 HydrophobicContact CG2-CE3 4.34Å; V497-W500 HydrophobicContact CG2-CH2 3.83Å; V497-W500 HydrophobicContact CG2-CZ2 3.82Å; V497-W500 HydrophobicContact CG2-CZ3 4.09Å; V497-W500 VanDerWaalsContact O-CB 3.27Å; V497-W500 WeakPolarHBondContact O-CB 3.43Å; V497-W500 PolarHBondContact O-N 2.73Å; S498-W500 VanDerWaalsContact C-N 3.3Å; S498-W500 PolarHBondContact O-N 3.45Å; W500-Y510 HydrophobicContact CB-CD2 3.77Å; W500-Y510 HydrophobicContact CB-CE2 4.26Å; W500-Y510 HydrophobicContact CB-CG 4.47Å |
| 501 | K | 77.1 | Confident | 84.1 | Confident | 183 Ų | 183 | 69.7 Ų | 69.7 | 80% | 0.796 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 145.9 | -178.4 | -66.4 | -178.3 | -179.1 | 177.3 | 0 | 111 | ||
| 502 | P | 80 | Confident | 84 | Confident | 85 Ų | 85 | 71.8 Ų | 71.8 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 145.2 | 173 | -24.6 | 33.9 | 0 | 0 | 0 | 113.1 | ||
| 503 | T | 78.1 | Confident | 83.8 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 34% | 0.344 | 36% | 0.355 | S | S | . | . | trans | -115.8 | 170.3 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | I505 F506 S507 Y510 | T503-I505 PolarHBondContact O-N 2.74Å; T503-F506 PolarHBondContact N-O 2.97Å; T503-F506 CarbonylContact O-C 3.49Å; T503-F506 PolarHBondContact O-N 3.06Å; T503-F506 VanDerWaalsContact O-O 3.06Å; T503-F506 PolarHBondContact OG1-N 3.4Å; T503-S507 WeakPolarHBondContact O-CA 3.36Å; T503-S507 PolarHBondContact O-N 3.34Å; T503-Y510 HydrophobicContact CG2-CE2 4.07Å | ||
| 504 | R | 74 | Confident | 83.7 | Confident | 260 Ų | 260 | 67 Ų | 67 | 98% | 0.981 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -63.8 | -22.8 | 175.5 | -65.2 | -172.1 | -176.9 | -164.2 | 1.3 | 113.4 | ||
| 505 | I | 77.5 | Confident | 83.8 | Confident | 152 Ų | 152 | 67 Ų | 67 | 78% | 0.779 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -89.5 | -42.5 | 178.5 | -54.8 | 169.6 | 0 | 0 | 0 | 109.7 | T503 | T503-I505 PolarHBondContact O-N 2.74Š|
| 506 | F | 83.7 | Confident | 84 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 47% | 0.474 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -106.7 | 79.6 | 175.4 | -63.5 | -82.1 | 0 | 0 | 0 | 110 | T503 F508 G509 Y510 | T503-F506 PolarHBondContact N-O 2.97Å; T503-F506 CarbonylContact O-C 3.49Å; T503-F506 PolarHBondContact O-N 3.06Å; T503-F506 VanDerWaalsContact O-O 3.06Å; T503-F506 PolarHBondContact OG1-N 3.4Å; F506-F508 VanDerWaalsContact C-N 3.31Å; F506-F508 PolarHBondContact O-N 3.24Å; F506-G509 PolarHBondContact O-N 3.04Å; F506-Y510 HydrophobicContact CB-CE1 4.4Å; F506-Y510 AromaticContact CD2-CE1 3.66Å; F506-Y510 HydrophobicContact CD2-CE1 3.66Å; F506-Y510 AromaticContact CD2-CZ 3.69Å; F506-Y510 WeakPolarHBondContact CD2-OH 3.47Å; F506-Y510 AromaticContact CE2-CE1 3.99Å; F506-Y510 HydrophobicContact CE2-CE1 3.99Å; F506-Y510 AromaticContact CG-CE1 3.95Å; F506-Y510 HydrophobicContact CG-CE1 3.95Å |
| 507 | S | 83.1 | Confident | 84.2 | Confident | 89 Ų | 89 | 71.2 Ų | 71.2 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.9 | -173.1 | 53.8 | 0 | 0 | 0 | 0 | 114 | T503 G509 | T503-S507 WeakPolarHBondContact O-CA 3.36Å; T503-S507 PolarHBondContact O-N 3.34Å; S507-G509 VanDerWaalsContact C-N 3.33Å |
| 508 | F | 81.2 | Confident | 84.5 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.2 | 174.5 | -73 | -82.1 | 0 | 0 | 0 | 113.7 | F506 H763 H802 | F506-F508 VanDerWaalsContact C-N 3.31Å; F506-F508 PolarHBondContact O-N 3.24Å; F508-H763 WeakPolarHBondContact CB-NE2 3.31Å; F508-H802 AromaticContact CE1-CD2 3.9Å |
| 509 | G | 84.2 | Confident | 84.9 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | trans | 81.3 | -157.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F506 S507 | F506-G509 PolarHBondContact O-N 3.04Å; S507-G509 VanDerWaalsContact C-N 3.33Å | ||
| 510 | Y | 86.6 | Confident | 85.4 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 21% | 0.208 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -112 | 14 | -167.2 | -68.6 | -84.9 | 0 | 0 | 0 | 113.9 | V497 W500 T503 F506 S512 A513 | V497-Y510 HydrophobicContact CG1-CD1 4.04Å; V497-Y510 HydrophobicContact CG1-CG 4.11Å; V497-Y510 WeakPolarHBondContact O-CB 3.49Å; W500-Y510 HydrophobicContact CB-CD2 3.77Å; W500-Y510 HydrophobicContact CB-CE2 4.26Å; W500-Y510 HydrophobicContact CB-CG 4.47Å; T503-Y510 HydrophobicContact CG2-CE2 4.07Å; F506-Y510 HydrophobicContact CB-CE1 4.4Å; F506-Y510 AromaticContact CD2-CE1 3.66Å; F506-Y510 HydrophobicContact CD2-CE1 3.66Å; F506-Y510 AromaticContact CD2-CZ 3.69Å; F506-Y510 WeakPolarHBondContact CD2-OH 3.47Å; F506-Y510 AromaticContact CE2-CE1 3.99Å; F506-Y510 HydrophobicContact CE2-CE1 3.99Å; F506-Y510 AromaticContact CG-CE1 3.95Å; F506-Y510 HydrophobicContact CG-CE1 3.95Å; Y510-S512 PolarHBondContact O-N 3.38Å; Y510-S512 VanDerWaalsContact O-N 3.14Å; Y510-A513 WeakPolarHBondContact O-CB 3.48Å; Y510-A513 PolarHBondContact O-N 3.04Å |
| 511 | N | 84.3 | Confident | 85.8 | Confident | 49 Ų | 49 | 66.1 Ų | 66.1 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.9 | -178.2 | -56.7 | -34.9 | 0 | 0 | 0 | 112.7 | S498 A513 E514 T764 | S498-N511 PolarHBondContact O-OD1 3.44Å; N511-A513 PolarHBondContact O-N 3.44Å; N511-A513 VanDerWaalsContact O-N 3.14Å; N511-E514 PolarHBondContact O-N 3.42Å; N511-T764 HydrophobicContact CB-CG2 3.88Å |
| 512 | S | 87 | Confident | 86.6 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -16.1 | 176.9 | -52.3 | 0 | 0 | 0 | 0 | 113.7 | Y510 E514 I515 L516 | Y510-S512 PolarHBondContact O-N 3.38Å; Y510-S512 VanDerWaalsContact O-N 3.14Å; S512-E514 VanDerWaalsContact C-N 3.26Å; S512-E514 PolarHBondContact O-N 3.22Å; S512-I515 PolarHBondContact O-N 2.85Å; S512-L516 WeakPolarHBondContact O-CB 3.34Å; S512-L516 PolarHBondContact O-N 3.07Å |
| 513 | A | 89 | Confident | 87.2 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 22% | 0.223 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -35.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V497 Y510 N511 L516 S517 | V497-A513 HydrophobicContact CG1-CB 4.19Å; Y510-A513 WeakPolarHBondContact O-CB 3.48Å; Y510-A513 PolarHBondContact O-N 3.04Å; N511-A513 PolarHBondContact O-N 3.44Å; N511-A513 VanDerWaalsContact O-N 3.14Å; A513-L516 PolarHBondContact O-N 3.29Å; A513-S517 WeakPolarHBondContact O-CB 3.49Å; A513-S517 PolarHBondContact O-N 3.18Å |
| 514 | E | 89.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | 176.4 | -75.5 | 170.4 | 168.6 | 0 | 0 | 112 | S498 N511 S512 L516 S517 G518 A665 E666 N669 | S498-E514 VanDerWaalsContact CB-CD 3.44Å; S498-E514 VanDerWaalsContact CB-OE1 3.25Å; S498-E514 WeakPolarHBondContact CB-OE1 3.14Å; S498-E514 PolarHBondContact OG-OE1 3.1Å; N511-E514 PolarHBondContact O-N 3.42Å; S512-E514 VanDerWaalsContact C-N 3.26Å; S512-E514 PolarHBondContact O-N 3.22Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-S517 PolarHBondContact O-N 3.11Å; E514-G518 PolarHBondContact O-N 2.91Å; E514-A665 WeakPolarHBondContact OE2-CB 3.47Å; E514-A665 VanDerWaalsContact OE2-O 3.11Å; E514-E666 PolarHBondContact OE2-N 3.14Å; E514-N669 HydrophobicContact CB-CB 4.04Å; E514-N669 HydrophobicContact CG-CB 4.29Å |
| 515 | I | 91.5 | Very high | 88.6 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.2 | -52.9 | 171 | 0 | 0 | 0 | 109.8 | S512 G518 L519 T725 L728 L729 T764 | S512-I515 PolarHBondContact O-N 2.85Å; I515-G518 PolarHBondContact O-N 3.09Å; I515-L519 PolarHBondContact O-N 3.22Å; I515-T725 HydrophobicContact CG2-CG2 4.24Å; I515-L728 HydrophobicContact CD1-CB 4.1Å; I515-L728 HydrophobicContact CD1-CD1 4.14Å; I515-L728 HydrophobicContact CG1-CD1 4.23Å; I515-L728 HydrophobicContact CG2-CB 3.81Å; I515-L728 HydrophobicContact CG2-CD1 4Å; I515-L729 HydrophobicContact CB-CD2 4.48Å; I515-L729 HydrophobicContact CG2-CD1 4.38Å; I515-L729 HydrophobicContact CG2-CD2 4.09Å; I515-L729 HydrophobicContact CG2-CG 3.84Å; I515-T764 HydrophobicContact CD1-CG2 4.46Å |
| 516 | L | 92.3 | Very high | 89.4 | Confident | 93 Ų | 93 | 41.9 Ų | 41.9 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.3 | -175.7 | 62.4 | 0 | 0 | 0 | 111.7 | S512 A513 E514 L519 V520 | S512-L516 WeakPolarHBondContact O-CB 3.34Å; S512-L516 PolarHBondContact O-N 3.07Å; A513-L516 PolarHBondContact O-N 3.29Å; E514-L516 VanDerWaalsContact C-N 3.33Å; L516-L519 HydrophobicContact CD1-CD2 4.42Å; L516-L519 WeakPolarHBondContact O-CB 3.4Å; L516-L519 PolarHBondContact O-N 3.45Å; L516-V520 VanDerWaalsContact O-CG2 3.3Å; L516-V520 WeakPolarHBondContact O-CG2 3.46Å; L516-V520 PolarHBondContact O-N 3.24Å |
| 517 | S | 92.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 112 | G491 A494 A513 E514 L519 V520 N521 N669 | G491-S517 WeakPolarHBondContact CA-OG 3.34Å; A494-S517 VanDerWaalsContact CB-CB 3.46Å; A513-S517 WeakPolarHBondContact O-CB 3.49Å; A513-S517 PolarHBondContact O-N 3.18Å; E514-S517 PolarHBondContact O-N 3.11Å; S517-L519 VanDerWaalsContact C-N 3.29Å; S517-L519 PolarHBondContact O-N 3.21Å; S517-V520 PolarHBondContact O-N 3.35Å; S517-N521 WeakPolarHBondContact O-CB 3.41Å; S517-N521 PolarHBondContact O-N 3.32Å; S517-N669 WeakPolarHBondContact CB-OD1 3.18Å; S517-N669 PolarHBondContact OG-OD1 3.01Å |
| 518 | G | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.2 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E514 I515 A522 | E514-G518 PolarHBondContact O-N 2.91Å; I515-G518 PolarHBondContact O-N 3.09Å; G518-A522 WeakPolarHBondContact O-CB 3.48Å; G518-A522 PolarHBondContact O-N 2.97Å |
| 519 | L | 94.3 | Very high | 90.4 | Very high | 23 Ų | 23 | 36.6 Ų | 36.6 | 12% | 0.12 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -50.9 | 174.6 | 174 | 65 | 0 | 0 | 0 | 111.3 | I515 L516 S517 N521 A522 L523 L722 L726 L729 | I515-L519 PolarHBondContact O-N 3.22Å; L516-L519 HydrophobicContact CD1-CD2 4.42Å; L516-L519 WeakPolarHBondContact O-CB 3.4Å; L516-L519 PolarHBondContact O-N 3.45Å; S517-L519 VanDerWaalsContact C-N 3.29Å; S517-L519 PolarHBondContact O-N 3.21Å; L519-N521 VanDerWaalsContact C-N 3.3Å; L519-N521 PolarHBondContact O-N 2.91Å; L519-A522 PolarHBondContact O-N 3.28Å; L519-L523 HydrophobicContact CD1-CD1 4.22Å; L519-L523 HydrophobicContact CD1-CG 4.33Å; L519-L523 HydrophobicContact CG-CD1 4.16Å; L519-L523 WeakPolarHBondContact O-CG 3.35Å; L519-L523 PolarHBondContact O-N 3.47Å; L519-L722 HydrophobicContact CD1-CD1 3.38Å; L519-L726 HydrophobicContact CD1-CD2 3.98Å; L519-L726 HydrophobicContact CD1-CG 4.04Å; L519-L726 HydrophobicContact CD2-CD2 4.43Å; L519-L729 HydrophobicContact CB-CD1 4.3Å; L519-L729 HydrophobicContact CD2-CD1 3.52Å; L519-L729 HydrophobicContact CG-CD1 4.48Å |
| 520 | V | 92.7 | Very high | 90.8 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 29% | 0.291 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.4 | -45.1 | -179.7 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | L516 S517 L523 F524 | L516-V520 VanDerWaalsContact O-CG2 3.3Å; L516-V520 WeakPolarHBondContact O-CG2 3.46Å; L516-V520 PolarHBondContact O-N 3.24Å; S517-V520 PolarHBondContact O-N 3.35Å; V520-L523 PolarHBondContact O-N 3.14Å; V520-F524 HydrophobicContact CG1-CD2 3.62Å; V520-F524 HydrophobicContact CG1-CE2 3.39Å; V520-F524 WeakPolarHBondContact O-CD2 3.39Å; V520-F524 PolarHBondContact O-N 3.33Å |
| 521 | N | 90.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 178.2 | -172.6 | 85.3 | 0 | 0 | 0 | 112.7 | A487 S517 L519 L523 F524 L525 G672 | A487-N521 WeakPolarHBondContact CB-OD1 3.46Å; S517-N521 WeakPolarHBondContact O-CB 3.41Å; S517-N521 PolarHBondContact O-N 3.32Å; L519-N521 VanDerWaalsContact C-N 3.3Å; L519-N521 PolarHBondContact O-N 2.91Å; N521-L523 VanDerWaalsContact C-N 3.3Å; N521-L523 PolarHBondContact O-N 3.49Å; N521-F524 PolarHBondContact O-N 3.17Å; N521-L525 WeakPolarHBondContact O-CG 3.45Å; N521-L525 PolarHBondContact O-N 3.48Å; N521-G672 WeakPolarHBondContact ND2-CA 3.28Å; N521-G672 PolarHBondContact ND2-O 2.83Å |
| 522 | A | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G518 L519 L525 L526 L721 L722 | G518-A522 WeakPolarHBondContact O-CB 3.48Å; G518-A522 PolarHBondContact O-N 2.97Å; L519-A522 PolarHBondContact O-N 3.28Å; A522-L525 PolarHBondContact O-N 3.23Å; A522-L526 WeakPolarHBondContact O-CG 3.28Å; A522-L526 PolarHBondContact O-N 3.03Å; A522-L526 VanDerWaalsContact O-N 3.09Å; A522-L721 HydrophobicContact CB-CB 4.39Å; A522-L721 HydrophobicContact CB-CD2 3.9Å; A522-L721 HydrophobicContact CB-CG 3.98Å; A522-L722 HydrophobicContact CB-CB 4.12Å |
| 523 | L | 93.6 | Very high | 91.3 | Very high | 84 Ų | 84 | 39.9 Ų | 39.9 | 44% | 0.44 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.5 | -43.4 | 175.4 | -70.3 | 171.7 | 0 | 0 | 0 | 111.8 | L519 V520 N521 L525 L526 V527 L722 | L519-L523 HydrophobicContact CD1-CD1 4.22Å; L519-L523 HydrophobicContact CD1-CG 4.33Å; L519-L523 HydrophobicContact CG-CD1 4.16Å; L519-L523 WeakPolarHBondContact O-CG 3.35Å; L519-L523 PolarHBondContact O-N 3.47Å; V520-L523 PolarHBondContact O-N 3.14Å; N521-L523 VanDerWaalsContact C-N 3.3Å; N521-L523 PolarHBondContact O-N 3.49Å; L523-L525 VanDerWaalsContact C-N 3.35Å; L523-L525 PolarHBondContact O-N 2.87Å; L523-L526 PolarHBondContact O-N 3.47Å; L523-V527 WeakPolarHBondContact O-CG2 3.5Å; L523-V527 PolarHBondContact O-N 2.9Å; L523-L722 HydrophobicContact CD2-CD1 4.02Å; L523-L722 HydrophobicContact CG-CD1 4.34Å |
| 524 | F | 90.1 | Very high | 91.4 | Very high | 104 Ų | 104 | 42.8 Ų | 42.8 | 46% | 0.456 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 174.6 | -84.9 | -64.4 | 0 | 0 | 0 | 111.8 | V520 N521 L526 V527 I528 | V520-F524 HydrophobicContact CG1-CD2 3.62Å; V520-F524 HydrophobicContact CG1-CE2 3.39Å; V520-F524 WeakPolarHBondContact O-CD2 3.39Å; V520-F524 PolarHBondContact O-N 3.33Å; N521-F524 PolarHBondContact O-N 3.17Å; F524-L526 VanDerWaalsContact C-N 3.31Å; F524-L526 PolarHBondContact O-N 3.45Å; F524-V527 PolarHBondContact O-N 3.02Å; F524-I528 WeakPolarHBondContact O-CB 3.47Å; F524-I528 WeakPolarHBondContact O-CG1 3.5Å; F524-I528 PolarHBondContact O-N 3.42Å |
| 525 | L | 90.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 177.9 | -72.6 | 171.7 | 0 | 0 | 0 | 112.9 | N521 A522 L523 S529 L675 H676 A679 I714 A718 | N521-L525 WeakPolarHBondContact O-CG 3.45Å; N521-L525 PolarHBondContact O-N 3.48Å; A522-L525 PolarHBondContact O-N 3.23Å; L523-L525 VanDerWaalsContact C-N 3.35Å; L523-L525 PolarHBondContact O-N 2.87Å; L525-S529 WeakPolarHBondContact O-CB 3.49Å; L525-S529 PolarHBondContact O-N 3.3Å; L525-L675 HydrophobicContact CD1-CB 3.96Å; L525-H676 HydrophobicContact CD1-CB 4.29Å; L525-H676 HydrophobicContact CD2-CB 3.97Å; L525-H676 HydrophobicContact CG-CB 4.43Å; L525-A679 HydrophobicContact CD2-CB 4.13Å; L525-I714 HydrophobicContact CB-CG2 4.3Å; L525-I714 HydrophobicContact CD2-CG2 4.19Å; L525-A718 HydrophobicContact CB-CB 4.12Å |
| 526 | L | 93.8 | Very high | 91.2 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68 | -40.1 | 176.5 | -73.2 | 171.4 | 0 | 0 | 0 | 112.4 | A522 L523 F524 G530 A718 M719 L722 | A522-L526 WeakPolarHBondContact O-CG 3.28Å; A522-L526 PolarHBondContact O-N 3.03Å; A522-L526 VanDerWaalsContact O-N 3.09Å; L523-L526 PolarHBondContact O-N 3.47Å; F524-L526 VanDerWaalsContact C-N 3.31Å; F524-L526 PolarHBondContact O-N 3.45Å; L526-G530 PolarHBondContact O-N 2.87Å; L526-A718 HydrophobicContact CD2-CB 4.04Å; L526-A718 HydrophobicContact CG-CB 4.06Å; L526-M719 HydrophobicContact CD1-CE 4.34Å; L526-M719 HydrophobicContact CD1-SD 4.27Å; L526-M719 HydrophobicContact CD2-CE 3.62Å; L526-M719 HydrophobicContact CD2-CG 4.46Å; L526-M719 HydrophobicContact CD2-SD 4.16Å; L526-L722 HydrophobicContact CD1-CD2 3.54Å |
| 527 | V | 91.7 | Very high | 91.1 | Very high | 103 Ų | 103 | 45.5 Ų | 45.5 | 62% | 0.624 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66 | -46.2 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | L523 F524 G530 S531 | L523-V527 WeakPolarHBondContact O-CG2 3.5Å; L523-V527 PolarHBondContact O-N 2.9Å; F524-V527 PolarHBondContact O-N 3.02Å; V527-G530 PolarHBondContact O-N 2.91Å; V527-S531 WeakPolarHBondContact O-CB 3.37Å; V527-S531 PolarHBondContact O-N 2.84Å |
| 528 | I | 87.8 | Confident | 90.9 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 178 | -67.4 | 167.7 | 0 | 0 | 0 | 110.3 | F524 G530 S531 V532 | F524-I528 WeakPolarHBondContact O-CB 3.47Å; F524-I528 WeakPolarHBondContact O-CG1 3.5Å; F524-I528 PolarHBondContact O-N 3.42Å; I528-G530 VanDerWaalsContact C-N 3.34Å; I528-G530 PolarHBondContact O-N 3.04Å; I528-S531 PolarHBondContact O-N 2.79Å; I528-S531 VanDerWaalsContact O-N 3.15Å; I528-V532 HydrophobicContact CG2-CG2 4.32Å; I528-V532 WeakPolarHBondContact O-CG2 3.37Å; I528-V532 PolarHBondContact O-N 3.38Å |
| 529 | S | 90.8 | Very high | 90.5 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.6 | -48.2 | 175.4 | 165.8 | 0 | 0 | 0 | 0 | 111.5 | L525 S531 V532 F533 A711 | L525-S529 WeakPolarHBondContact O-CB 3.49Å; L525-S529 PolarHBondContact O-N 3.3Å; S529-S531 PolarHBondContact O-N 3.05Å; S529-V532 PolarHBondContact O-N 2.76Å; S529-F533 WeakPolarHBondContact O-CB 3.34Å; S529-F533 PolarHBondContact O-N 3.47Å; S529-A711 PolarHBondContact OG-O 3.14Å |
| 530 | G | 92.3 | Very high | 90.2 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L526 V527 I528 F533 V534 | L526-G530 PolarHBondContact O-N 2.87Å; V527-G530 PolarHBondContact O-N 2.91Å; I528-G530 VanDerWaalsContact C-N 3.34Å; I528-G530 PolarHBondContact O-N 3.04Å; G530-F533 PolarHBondContact O-N 3.36Å; G530-V534 WeakPolarHBondContact O-CG2 3.14Å; G530-V534 PolarHBondContact O-N 2.93Å |
| 531 | S | 88.1 | Confident | 89.6 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 43% | 0.434 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | V527 I528 S529 F533 V534 N535 | V527-S531 WeakPolarHBondContact O-CB 3.37Å; V527-S531 PolarHBondContact O-N 2.84Å; I528-S531 PolarHBondContact O-N 2.79Å; I528-S531 VanDerWaalsContact O-N 3.15Å; S529-S531 PolarHBondContact O-N 3.05Å; S531-F533 VanDerWaalsContact C-N 3.32Å; S531-F533 PolarHBondContact O-N 3.43Å; S531-V534 PolarHBondContact O-N 2.71Å; S531-N535 WeakPolarHBondContact O-CB 3.25Å; S531-N535 VanDerWaalsContact O-CG 3.29Å; S531-N535 PolarHBondContact O-N 3.4Å; S531-N535 PolarHBondContact O-ND2 3.22Å |
| 532 | V | 87.4 | Confident | 88.9 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | I528 S529 N535 S536 A711 | I528-V532 HydrophobicContact CG2-CG2 4.32Å; I528-V532 WeakPolarHBondContact O-CG2 3.37Å; I528-V532 PolarHBondContact O-N 3.38Å; S529-V532 PolarHBondContact O-N 2.76Å; V532-N535 PolarHBondContact O-N 3.25Å; V532-S536 WeakPolarHBondContact O-CB 3.43Å; V532-S536 PolarHBondContact O-N 2.66Å; V532-S536 PolarHBondContact O-OG 3.47Å; V532-A711 HydrophobicContact CB-CB 4.37Å; V532-A711 HydrophobicContact CG1-CB 4.18Å |
| 533 | F | 92.6 | Very high | 87.8 | Confident | 73 Ų | 73 | 72.9 Ų | 72.9 | 32% | 0.32 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 177.2 | -174.2 | -93 | 0 | 0 | 0 | 112 | S529 G530 S531 S536 I537 M708 A711 | S529-F533 WeakPolarHBondContact O-CB 3.34Å; S529-F533 PolarHBondContact O-N 3.47Å; G530-F533 PolarHBondContact O-N 3.36Å; S531-F533 VanDerWaalsContact C-N 3.32Å; S531-F533 PolarHBondContact O-N 3.43Å; F533-S536 WeakPolarHBondContact O-CB 3.44Å; F533-S536 PolarHBondContact O-N 2.96Å; F533-I537 HydrophobicContact CD1-CD1 3.83Å; F533-I537 HydrophobicContact CE1-CD1 3.43Å; F533-I537 VanDerWaalsContact CE1-CD1 3.43Å; F533-I537 HydrophobicContact CE1-CG1 4.46Å; F533-I537 HydrophobicContact CZ-CD1 4.09Å; F533-I537 PolarHBondContact O-N 3.36Å; F533-M708 HydrophobicContact CD2-CG 3.65Å; F533-M708 HydrophobicContact CE2-CG 3.37Å; F533-M708 HydrophobicContact CE2-SD 3.92Å; F533-M708 HydrophobicContact CZ-CG 4.28Å; F533-M708 HydrophobicContact CZ-SD 4.28Å; F533-A711 HydrophobicContact CB-CB 3.97Å; F533-A711 HydrophobicContact CD2-CB 4.41Å |
| 534 | V | 92.4 | Very high | 86.4 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 53% | 0.527 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | G530 S531 S536 I537 V538 | G530-V534 WeakPolarHBondContact O-CG2 3.14Å; G530-V534 PolarHBondContact O-N 2.93Å; S531-V534 PolarHBondContact O-N 2.71Å; V534-S536 VanDerWaalsContact C-N 3.26Å; V534-S536 PolarHBondContact O-N 3.14Å; V534-I537 PolarHBondContact O-N 2.76Å; V534-V538 WeakPolarHBondContact O-CG2 3.18Å; V534-V538 PolarHBondContact O-N 3.23Å; V534-V538 VanDerWaalsContact O-N 3.15Å |
| 535 | N | 86.4 | Confident | 84.9 | Confident | 85 Ų | 85 | 75 Ų | 75 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.3 | -37.1 | 177.1 | -76.6 | -27.4 | 0 | 0 | 0 | 112 | S531 V532 V538 R539 | S531-N535 WeakPolarHBondContact O-CB 3.25Å; S531-N535 VanDerWaalsContact O-CG 3.29Å; S531-N535 PolarHBondContact O-N 3.4Å; S531-N535 PolarHBondContact O-ND2 3.22Å; V532-N535 PolarHBondContact O-N 3.25Å; N535-V538 PolarHBondContact O-N 2.93Å; N535-R539 VanDerWaalsContact O-CG 3.29Å; N535-R539 WeakPolarHBondContact O-CG 3.25Å; N535-R539 PolarHBondContact O-N 3.48Å |
| 536 | S | 88.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 78.1 Ų | 78.1 | 3% | 0.028 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | V532 F533 V534 V538 R539 I540 S707 | V532-S536 WeakPolarHBondContact O-CB 3.43Å; V532-S536 PolarHBondContact O-N 2.66Å; V532-S536 PolarHBondContact O-OG 3.47Å; F533-S536 WeakPolarHBondContact O-CB 3.44Å; F533-S536 PolarHBondContact O-N 2.96Å; V534-S536 VanDerWaalsContact C-N 3.26Å; V534-S536 PolarHBondContact O-N 3.14Å; S536-V538 VanDerWaalsContact C-N 3.33Å; S536-V538 PolarHBondContact O-N 3Å; S536-R539 PolarHBondContact O-N 3.26Å; S536-I540 WeakPolarHBondContact O-CG1 3.48Å; S536-I540 PolarHBondContact O-N 3.36Å; S536-I540 VanDerWaalsContact O-N 3.14Å; S536-S707 WeakPolarHBondContact OG-CB 3.5Å |
| 537 | I | 90.7 | Very high | 81.8 | Confident | 71 Ų | 71 | 85.1 Ų | 85.1 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.8 | -67.6 | 169.3 | 0 | 0 | 0 | 111.5 | F533 V534 R539 I540 H541 | F533-I537 HydrophobicContact CD1-CD1 3.83Å; F533-I537 HydrophobicContact CE1-CD1 3.43Å; F533-I537 VanDerWaalsContact CE1-CD1 3.43Å; F533-I537 HydrophobicContact CE1-CG1 4.46Å; F533-I537 HydrophobicContact CZ-CD1 4.09Å; F533-I537 PolarHBondContact O-N 3.36Å; V534-I537 PolarHBondContact O-N 2.76Å; I537-R539 VanDerWaalsContact C-N 3.35Å; I537-I540 PolarHBondContact O-N 3.47Å; I537-H541 PolarHBondContact O-ND1 2.88Å |
| 538 | V | 88.4 | Confident | 80.4 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 56% | 0.564 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | V534 N535 S536 I540 H541 | V534-V538 WeakPolarHBondContact O-CG2 3.18Å; V534-V538 PolarHBondContact O-N 3.23Å; V534-V538 VanDerWaalsContact O-N 3.15Å; N535-V538 PolarHBondContact O-N 2.93Å; S536-V538 VanDerWaalsContact C-N 3.33Å; S536-V538 PolarHBondContact O-N 3Å; V538-I540 VanDerWaalsContact C-N 3.3Å; V538-I540 PolarHBondContact O-N 2.9Å; V538-H541 PolarHBondContact O-N 3.25Å |
| 539 | R | 84.5 | Confident | 79.3 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.2 | -23.1 | 179.5 | -71.9 | 176 | 179.1 | -148.8 | 1 | 114.4 | N535 S536 I537 H541 Q542 D703 P704 | N535-R539 VanDerWaalsContact O-CG 3.29Å; N535-R539 WeakPolarHBondContact O-CG 3.25Å; N535-R539 PolarHBondContact O-N 3.48Å; S536-R539 PolarHBondContact O-N 3.26Å; I537-R539 VanDerWaalsContact C-N 3.35Å; R539-H541 VanDerWaalsContact C-N 3.26Å; R539-H541 PolarHBondContact O-N 3.34Å; R539-Q542 CarbonylContact O-C 3.56Å; R539-Q542 VanDerWaalsContact O-C 3.3Å; R539-Q542 PolarHBondContact O-N 3.06Å; R539-D703 IonicContact NH1-OD2 3.03Å; R539-P704 HydrophobicContact CB-CB 4.35Å; R539-P704 HydrophobicContact CB-CG 3.75Å |
| 540 | I | 86.8 | Confident | 78.2 | Confident | 64 Ų | 64 | 89.3 Ų | 89.3 | 33% | 0.328 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -35.6 | 173.2 | -68.7 | 171.2 | 0 | 0 | 0 | 111.2 | S536 I537 V538 V701 P704 | S536-I540 WeakPolarHBondContact O-CG1 3.48Å; S536-I540 PolarHBondContact O-N 3.36Å; S536-I540 VanDerWaalsContact O-N 3.14Å; I537-I540 PolarHBondContact O-N 3.47Å; V538-I540 VanDerWaalsContact C-N 3.3Å; V538-I540 PolarHBondContact O-N 2.9Å; I540-V701 HydrophobicContact CG1-CG1 4.12Å; I540-V701 HydrophobicContact CG2-CG1 4.3Å; I540-P704 HydrophobicContact CD1-CB 4.41Å; I540-P704 HydrophobicContact CG1-CB 3.57Å; I540-P704 HydrophobicContact CG1-CG 4.35Å |
| 541 | H | 82 | Confident | 77.3 | Confident | 156 Ų | 156 | 90.6 Ų | 90.6 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -81.6 | -22.9 | -177 | -71.8 | 78.6 | 0 | 0 | 0 | 113.2 | I537 V538 R539 | I537-H541 PolarHBondContact O-ND1 2.88Å; V538-H541 PolarHBondContact O-N 3.25Å; R539-H541 VanDerWaalsContact C-N 3.26Å; R539-H541 PolarHBondContact O-N 3.34Å |
| 542 | Q | 75.2 | Confident | 76.9 | Confident | 160 Ų | 160 | 90.6 Ų | 90.6 | 75% | 0.748 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -140.1 | 86.9 | 176.7 | -66.9 | -177.3 | 1.5 | 0 | 0 | 109.9 | R539 P544 | R539-Q542 CarbonylContact O-C 3.56Å; R539-Q542 VanDerWaalsContact O-C 3.3Å; R539-Q542 PolarHBondContact O-N 3.06Å; Q542-P544 WeakPolarHBondContact O-CD 3.31Å |
| 543 | P | 69.3 | Low | 76.8 | Confident | 62 Ų | 62 | 90.9 Ų | 90.9 | 40% | 0.403 | 47% | 0.471 | S | S | . | . | trans | -68.3 | 123.9 | 178 | 25.8 | -31.7 | 0 | 0 | 0 | 110.3 | N700 | P543-N700 HydrophobicContact CB-CB 4.1Š| ||
| 544 | P | 65.2 | Low | 76.4 | Confident | 72 Ų | 72 | 88.1 Ų | 88.1 | 47% | 0.468 | 46% | 0.46 | S | S | . | . | trans | -79.2 | 149.5 | 176.2 | 30.4 | -32.3 | 0 | 0 | 0 | 112.1 | Q542 I546 | Q542-P544 WeakPolarHBondContact O-CD 3.31Å; P544-I546 PolarHBondContact O-N 2.88Å | ||
| 545 | D | 59.2 | Low | 75.9 | Confident | 161 Ų | 161 | 84.9 Ų | 84.9 | 86% | 0.861 | 44% | 0.441 | S | S | * | . | trans | -74.3 | 106.2 | 171.8 | -72.2 | -39.4 | 0 | 0 | 0 | 110.5 | ||||
| 546 | I | 59.3 | Low | 76.1 | Confident | 70 Ų | 70 | 84.3 Ų | 84.3 | 36% | 0.359 | 44% | 0.438 | S | S | . | . | trans | -88.8 | 117.3 | -179.1 | -47.3 | 173.9 | 0 | 0 | 0 | 109.4 | P544 T548 L551 | P544-I546 PolarHBondContact O-N 2.88Å; I546-T548 HydrophobicContact CB-CG2 4.42Å; I546-T548 HydrophobicContact CG2-CG2 4.29Å; I546-T548 PolarHBondContact O-N 2.97Å; I546-L551 HydrophobicContact CG2-CD1 3.87Å | ||
| 547 | K | 58.7 | Low | 76.2 | Confident | 183 Ų | 183 | 88.2 Ų | 88.2 | 80% | 0.796 | 46% | 0.457 | S | S | * | . | trans | -75.3 | 99.6 | 164.6 | -67.4 | -177.5 | -178.2 | 177.3 | 0 | 108.4 | ||||
| 548 | T | 62.1 | Low | 76.1 | Confident | 47 Ų | 47 | 85.1 Ų | 85.1 | 29% | 0.288 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -77.9 | -23.6 | -163.6 | 49.9 | 0 | 0 | 0 | 0 | 115.4 | I546 L552 | I546-T548 HydrophobicContact CB-CG2 4.42Å; I546-T548 HydrophobicContact CG2-CG2 4.29Å; I546-T548 PolarHBondContact O-N 2.97Å; T548-L552 PolarHBondContact O-N 3.45Å |
| 549 | D | 65.5 | Low | 76.3 | Confident | 118 Ų | 118 | 82.1 Ų | 82.1 | 63% | 0.631 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.2 | -44.5 | -166.8 | 64.5 | -26.7 | 0 | 0 | 0 | 113.6 | ||
| 550 | K | 68.2 | Low | 76.7 | Confident | 99 Ų | 99 | 81.1 Ų | 81.1 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -80 | -29.7 | -177.7 | -64 | -176.2 | -172.7 | 179.4 | 0 | 113.7 | T469 | T469-K550 HydrophobicContact CG2-CD 4.49Å |
| 551 | L | 72.1 | Confident | 77 | Confident | 61 Ų | 61 | 79 Ų | 79 | 32% | 0.319 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -77 | -38.6 | -175.8 | -66.5 | 172.3 | 0 | 0 | 0 | 111.8 | I546 A553 V554 S555 | I546-L551 HydrophobicContact CG2-CD1 3.87Å; L551-A553 PolarHBondContact O-N 3.35Å; L551-V554 PolarHBondContact O-N 2.76Å; L551-S555 PolarHBondContact O-N 2.84Å; L551-S555 PolarHBondContact O-OG 2.74Å; L551-S555 VanDerWaalsContact O-OG 3.09Å |
| 552 | L | 81.2 | Confident | 77.5 | Confident | 63 Ų | 63 | 72 Ų | 72 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | -175.8 | -176.6 | 144.9 | 0 | 0 | 0 | 113 | T548 V554 S555 I556 | T548-L552 PolarHBondContact O-N 3.45Å; L552-V554 VanDerWaalsContact C-N 3.32Å; L552-V554 PolarHBondContact O-N 2.99Å; L552-S555 PolarHBondContact O-N 2.99Å; L552-I556 HydrophobicContact CD2-CD1 3.48Å; L552-I556 VanDerWaalsContact CD2-CD1 3.48Å; L552-I556 HydrophobicContact CD2-CG1 4.39Å; L552-I556 HydrophobicContact CG-CD1 4.26Å; L552-I556 VanDerWaalsContact O-CG1 3.31Å; L552-I556 WeakPolarHBondContact O-CG1 3.47Å; L552-I556 PolarHBondContact O-N 3.48Å |
| 553 | A | 83.9 | Confident | 78.4 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L551 L557 | L551-A553 PolarHBondContact O-N 3.35Å; A553-L557 PolarHBondContact O-N 2.97Å |
| 554 | V | 84.3 | Confident | 79.5 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.3 | -43.3 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | F458 E462 Y465 L474 L551 L552 I556 L557 G558 | F458-V554 HydrophobicContact CZ-CG1 4.24Å; E462-V554 HydrophobicContact CG-CG1 3.69Å; E462-V554 WeakPolarHBondContact OE1-CG1 3.36Å; Y465-V554 HydrophobicContact CD1-CG2 3.91Å; Y465-V554 HydrophobicContact CE1-CG2 3.94Å; L474-V554 HydrophobicContact CD1-CB 4.27Å; L474-V554 HydrophobicContact CD1-CG1 3.67Å; L474-V554 HydrophobicContact CD1-CG2 4.39Å; L474-V554 HydrophobicContact CD2-CG2 4.16Å; L551-V554 PolarHBondContact O-N 2.76Å; L552-V554 VanDerWaalsContact C-N 3.32Å; L552-V554 PolarHBondContact O-N 2.99Å; V554-I556 VanDerWaalsContact C-N 3.3Å; V554-I556 PolarHBondContact O-N 2.84Å; V554-L557 PolarHBondContact O-N 3.41Å; V554-L557 VanDerWaalsContact O-N 3.11Å; V554-G558 PolarHBondContact O-N 3.36Å |
| 555 | S | 82.9 | Confident | 80.7 | Confident | 20 Ų | 20 | 65 Ų | 65 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 175.7 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | L551 L552 L559 | L551-S555 PolarHBondContact O-N 2.84Å; L551-S555 PolarHBondContact O-OG 2.74Å; L551-S555 VanDerWaalsContact O-OG 3.09Å; L552-S555 PolarHBondContact O-N 2.99Å; S555-L559 WeakPolarHBondContact O-CB 3.46Å; S555-L559 PolarHBondContact O-N 2.91Å |
| 556 | I | 90.2 | Very high | 82.2 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 174.3 | -70.3 | 170.9 | 0 | 0 | 0 | 110.8 | L552 V554 L559 L560 I688 | L552-I556 HydrophobicContact CD2-CD1 3.48Å; L552-I556 VanDerWaalsContact CD2-CD1 3.48Å; L552-I556 HydrophobicContact CD2-CG1 4.39Å; L552-I556 HydrophobicContact CG-CD1 4.26Å; L552-I556 VanDerWaalsContact O-CG1 3.31Å; L552-I556 WeakPolarHBondContact O-CG1 3.47Å; L552-I556 PolarHBondContact O-N 3.48Å; V554-I556 VanDerWaalsContact C-N 3.3Å; V554-I556 PolarHBondContact O-N 2.84Å; I556-L559 WeakPolarHBondContact O-CB 3.49Å; I556-L559 PolarHBondContact O-N 3.26Å; I556-L560 WeakPolarHBondContact O-CG 3.25Å; I556-L560 PolarHBondContact O-N 3.35Å; I556-L560 VanDerWaalsContact O-N 3.1Å; I556-I688 HydrophobicContact CG1-CD1 3.97Å; I556-I688 HydrophobicContact CG1-CG1 4.33Å |
| 557 | L | 90.2 | Very high | 83.6 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 179.6 | -170.8 | 57.9 | 0 | 0 | 0 | 111.4 | F458 A553 V554 L560 V561 | F458-L557 HydrophobicContact CD2-CD2 4.31Å; F458-L557 HydrophobicContact CD2-CG 4.23Å; F458-L557 HydrophobicContact CE2-CB 3.95Å; F458-L557 HydrophobicContact CE2-CD2 3.63Å; F458-L557 HydrophobicContact CE2-CG 3.51Å; F458-L557 HydrophobicContact CZ-CB 4.16Å; F458-L557 HydrophobicContact CZ-CG 4.19Å; A553-L557 PolarHBondContact O-N 2.97Å; V554-L557 PolarHBondContact O-N 3.41Å; V554-L557 VanDerWaalsContact O-N 3.11Å; L557-L560 WeakPolarHBondContact O-CB 3.48Å; L557-L560 PolarHBondContact O-N 3.03Å; L557-V561 WeakPolarHBondContact O-CG2 3.25Å; L557-V561 PolarHBondContact O-N 3.48Å; L557-V561 VanDerWaalsContact O-N 3.07Å |
| 558 | G | 89.5 | Confident | 85 | Confident | 6 Ų | 6 | 52 Ų | 52 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | F458 V554 L560 V561 N562 | F458-G558 VanDerWaalsContact CZ-CA 3.45Å; F458-G558 VanDerWaalsContact CZ-N 3.3Å; V554-G558 PolarHBondContact O-N 3.36Å; G558-L560 VanDerWaalsContact C-N 3.34Å; G558-L560 PolarHBondContact O-N 3.38Å; G558-V561 WeakPolarHBondContact O-CB 3.35Å; G558-V561 PolarHBondContact O-N 3.02Å; G558-N562 WeakPolarHBondContact O-CB 3.3Å; G558-N562 PolarHBondContact O-N 3.31Å; G558-N562 PolarHBondContact O-ND2 3.1Å |
| 559 | L | 91.8 | Very high | 86 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 173 | 176.1 | 61 | 0 | 0 | 0 | 111.7 | S555 I556 V561 N562 I563 T681 S684 V685 I688 | S555-L559 WeakPolarHBondContact O-CB 3.46Å; S555-L559 PolarHBondContact O-N 2.91Å; I556-L559 WeakPolarHBondContact O-CB 3.49Å; I556-L559 PolarHBondContact O-N 3.26Å; L559-V561 VanDerWaalsContact C-N 3.35Å; L559-V561 PolarHBondContact O-N 3.33Å; L559-N562 PolarHBondContact O-N 2.76Å; L559-I563 HydrophobicContact CD1-CD1 3.9Å; L559-I563 HydrophobicContact CD1-CG1 4.05Å; L559-I563 HydrophobicContact CD2-CD1 4.49Å; L559-I563 HydrophobicContact CG-CD1 3.83Å; L559-I563 HydrophobicContact CG-CG1 4.4Å; L559-I563 WeakPolarHBondContact O-CB 3.17Å; L559-I563 VanDerWaalsContact O-CG1 3.25Å; L559-I563 WeakPolarHBondContact O-CG1 3.48Å; L559-I563 PolarHBondContact O-N 3.27Å; L559-T681 HydrophobicContact CD1-CG2 3.77Å; L559-S684 WeakPolarHBondContact CD1-OG 3.41Å; L559-V685 HydrophobicContact CD1-CG2 3.69Å; L559-V685 HydrophobicContact CD2-CG2 4.17Å; L559-I688 HydrophobicContact CB-CD1 4.25Å; L559-I688 HydrophobicContact CD2-CD1 3.66Å |
| 560 | L | 93.8 | Very high | 86.4 | Confident | 99 Ų | 99 | 45 Ų | 45 | 52% | 0.518 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.4 | -68.2 | 173.4 | 0 | 0 | 0 | 111.9 | I556 L557 G558 I563 V564 | I556-L560 WeakPolarHBondContact O-CG 3.25Å; I556-L560 PolarHBondContact O-N 3.35Å; I556-L560 VanDerWaalsContact O-N 3.1Å; L557-L560 WeakPolarHBondContact O-CB 3.48Å; L557-L560 PolarHBondContact O-N 3.03Å; G558-L560 VanDerWaalsContact C-N 3.34Å; G558-L560 PolarHBondContact O-N 3.38Å; L560-I563 PolarHBondContact O-N 3.3Å; L560-V564 WeakPolarHBondContact O-CG2 3.49Å; L560-V564 PolarHBondContact O-N 3.46Å; L560-V564 VanDerWaalsContact O-N 3.14Å |
| 561 | V | 93.2 | Very high | 85.9 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -48.9 | 174.7 | 159.1 | 0 | 0 | 0 | 0 | 110.8 | L454 F458 L557 G558 L559 I563 V564 G565 | L454-V561 HydrophobicContact CD2-CB 3.82Å; L454-V561 HydrophobicContact CD2-CG1 3.22Å; L454-V561 HydrophobicContact CD2-CG2 3.72Å; F458-V561 HydrophobicContact CB-CG1 4.36Å; F458-V561 HydrophobicContact CB-CG2 4.15Å; F458-V561 HydrophobicContact CD1-CB 4.42Å; F458-V561 HydrophobicContact CD1-CG1 4.28Å; F458-V561 HydrophobicContact CD1-CG2 4.27Å; F458-V561 HydrophobicContact CD2-CG2 4.13Å; F458-V561 HydrophobicContact CG-CG1 4.45Å; F458-V561 HydrophobicContact CG-CG2 3.9Å; L557-V561 WeakPolarHBondContact O-CG2 3.25Å; L557-V561 PolarHBondContact O-N 3.48Å; L557-V561 VanDerWaalsContact O-N 3.07Å; G558-V561 WeakPolarHBondContact O-CB 3.35Å; G558-V561 PolarHBondContact O-N 3.02Å; L559-V561 VanDerWaalsContact C-N 3.35Å; L559-V561 PolarHBondContact O-N 3.33Å; V561-I563 PolarHBondContact O-N 3.33Å; V561-V564 WeakPolarHBondContact O-CB 3.24Å; V561-V564 PolarHBondContact O-N 2.92Å; V561-G565 PolarHBondContact O-N 2.97Å |
| 562 | N | 92.2 | Very high | 84.9 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -35.3 | -178.7 | -71.4 | -22.9 | 0 | 0 | 0 | 112.6 | G558 L559 V564 G565 V566 D680 T681 | G558-N562 WeakPolarHBondContact O-CB 3.3Å; G558-N562 PolarHBondContact O-N 3.31Å; G558-N562 PolarHBondContact O-ND2 3.1Å; L559-N562 PolarHBondContact O-N 2.76Å; N562-V564 VanDerWaalsContact C-N 3.34Å; N562-V564 PolarHBondContact O-N 2.92Å; N562-G565 CarbonylContact O-C 3.52Å; N562-G565 WeakPolarHBondContact O-CA 3.08Å; N562-G565 PolarHBondContact O-N 3.18Å; N562-V566 WeakPolarHBondContact O-CG2 3.49Å; N562-V566 PolarHBondContact O-N 3.44Å; N562-D680 WeakPolarHBondContact ND2-CB 3.48Å; N562-T681 WeakPolarHBondContact CB-OG1 3.25Å |
| 563 | I | 93.7 | Very high | 83.2 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 172.2 | -73.4 | 168.7 | 0 | 0 | 0 | 111.1 | L559 L560 V561 G565 V566 V567 T681 | L559-I563 HydrophobicContact CD1-CD1 3.9Å; L559-I563 HydrophobicContact CD1-CG1 4.05Å; L559-I563 HydrophobicContact CD2-CD1 4.49Å; L559-I563 HydrophobicContact CG-CD1 3.83Å; L559-I563 HydrophobicContact CG-CG1 4.4Å; L559-I563 WeakPolarHBondContact O-CB 3.17Å; L559-I563 VanDerWaalsContact O-CG1 3.25Å; L559-I563 WeakPolarHBondContact O-CG1 3.48Å; L559-I563 PolarHBondContact O-N 3.27Å; L560-I563 PolarHBondContact O-N 3.3Å; V561-I563 PolarHBondContact O-N 3.33Å; I563-G565 PolarHBondContact O-N 2.73Å; I563-V566 PolarHBondContact O-N 3.49Å; I563-V567 HydrophobicContact CG2-CG2 4.35Å; I563-V567 WeakPolarHBondContact O-CG2 3.4Å; I563-V567 PolarHBondContact O-N 3.4Å; I563-T681 HydrophobicContact CG1-CG2 4.15Å |
| 564 | V | 92.2 | Very high | 80.7 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58 | -40.3 | 174 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | L454 L560 V561 N562 V567 A568 | L454-V564 HydrophobicContact CD1-CB 4.44Å; L454-V564 HydrophobicContact CD1-CG1 3.83Å; L560-V564 WeakPolarHBondContact O-CG2 3.49Å; L560-V564 PolarHBondContact O-N 3.46Å; L560-V564 VanDerWaalsContact O-N 3.14Å; V561-V564 WeakPolarHBondContact O-CB 3.24Å; V561-V564 PolarHBondContact O-N 2.92Å; N562-V564 VanDerWaalsContact C-N 3.34Å; N562-V564 PolarHBondContact O-N 2.92Å; V564-V567 PolarHBondContact O-N 2.76Å; V564-A568 WeakPolarHBondContact O-CB 3.18Å; V564-A568 PolarHBondContact O-N 3.37Å |
| 565 | G | 89.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -51.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V561 N562 I563 V567 A568 L569 | V561-G565 PolarHBondContact O-N 2.97Å; N562-G565 CarbonylContact O-C 3.52Å; N562-G565 WeakPolarHBondContact O-CA 3.08Å; N562-G565 PolarHBondContact O-N 3.18Å; I563-G565 PolarHBondContact O-N 2.73Å; G565-V567 VanDerWaalsContact C-N 3.29Å; G565-V567 PolarHBondContact O-N 3.29Å; G565-A568 PolarHBondContact O-N 2.9Å; G565-L569 WeakPolarHBondContact O-CB 3.18Å; G565-L569 VanDerWaalsContact O-CG 3.3Å; G565-L569 WeakPolarHBondContact O-CG 3.43Å; G565-L569 PolarHBondContact O-N 2.96Å |
| 566 | V | 91.1 | Very high | 75.8 | Confident | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.9 | N562 I563 G570 Y674 V677 L678 T681 | N562-V566 WeakPolarHBondContact O-CG2 3.49Å; N562-V566 PolarHBondContact O-N 3.44Å; I563-V566 PolarHBondContact O-N 3.49Å; V566-G570 VanDerWaalsContact O-CA 3.25Å; V566-G570 WeakPolarHBondContact O-CA 3.32Å; V566-G570 PolarHBondContact O-N 2.97Å; V566-Y674 HydrophobicContact CG1-CE2 3.97Å; V566-V677 HydrophobicContact CG2-CG1 4Å; V566-L678 HydrophobicContact CG2-CD1 4.4Å; V566-T681 HydrophobicContact CG2-CG2 4.4Å; V566-T681 VanDerWaalsContact CG2-OG1 3.25Å; V566-T681 WeakPolarHBondContact CG2-OG1 3.35Å |
| 567 | V | 89.9 | Confident | 72.9 | Confident | 78 Ų | 78 | 58.3 Ų | 58.3 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.8 | -43.1 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | I563 V564 G565 L569 H571 | I563-V567 HydrophobicContact CG2-CG2 4.35Å; I563-V567 WeakPolarHBondContact O-CG2 3.4Å; I563-V567 PolarHBondContact O-N 3.4Å; V564-V567 PolarHBondContact O-N 2.76Å; G565-V567 VanDerWaalsContact C-N 3.29Å; G565-V567 PolarHBondContact O-N 3.29Å; V567-L569 VanDerWaalsContact C-N 3.34Å; V567-L569 PolarHBondContact O-N 3.22Å; V567-H571 PolarHBondContact O-ND1 2.95Å |
| 568 | A | 86.5 | Confident | 69.9 | Low | 34 Ų | 34 | 61.7 Ų | 61.7 | 28% | 0.281 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | V564 G565 | V564-A568 WeakPolarHBondContact O-CB 3.18Å; V564-A568 PolarHBondContact O-N 3.37Å; G565-A568 PolarHBondContact O-N 2.9Å |
| 569 | L | 84.7 | Confident | 67 | Low | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -91.5 | -35 | -179.2 | -61.4 | 169.4 | 0 | 0 | 0 | 112.3 | I448 F451 G565 V567 H571 A572 L670 V673 Y674 V677 | I448-L569 HydrophobicContact CG1-CD2 3.89Å; F451-L569 HydrophobicContact CD1-CD1 4.39Å; G565-L569 WeakPolarHBondContact O-CB 3.18Å; G565-L569 VanDerWaalsContact O-CG 3.3Å; G565-L569 WeakPolarHBondContact O-CG 3.43Å; G565-L569 PolarHBondContact O-N 2.96Å; V567-L569 VanDerWaalsContact C-N 3.34Å; V567-L569 PolarHBondContact O-N 3.22Å; L569-H571 PolarHBondContact O-N 3.14Å; L569-A572 PolarHBondContact O-N 3.17Å; L569-L670 HydrophobicContact CD2-CD1 3.76Å; L569-V673 HydrophobicContact CD1-CG1 3.71Å; L569-V673 HydrophobicContact CD2-CG1 4.29Å; L569-Y674 HydrophobicContact CB-CD2 4.04Å; L569-V677 HydrophobicContact CD1-CB 4.3Å; L569-V677 HydrophobicContact CD1-CG2 3.82Å |
| 570 | G | 73.5 | Confident | 64.1 | Low | 16 Ų | 16 | 70.2 Ų | 70.2 | 17% | 0.165 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.8 | -22.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V566 A572 H573 | V566-G570 VanDerWaalsContact O-CA 3.25Å; V566-G570 WeakPolarHBondContact O-CA 3.32Å; V566-G570 PolarHBondContact O-N 2.97Å; G570-A572 PolarHBondContact O-N 3.3Å; G570-H573 PolarHBondContact O-N 3.44Å |
| 571 | H | 56.5 | Low | 61.3 | Low | 131 Ų | 131 | 70.9 Ų | 70.9 | 61% | 0.606 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9.5 | 174.1 | -86.2 | 61.1 | 0 | 0 | 0 | 113.8 | V567 L569 | V567-H571 PolarHBondContact O-ND1 2.95Å; L569-H571 PolarHBondContact O-N 3.14Å |
| 572 | A | 51.2 | Low | 58.6 | Low | 46 Ų | 46 | 78.4 Ų | 78.4 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -22.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L569 G570 L670 | L569-A572 PolarHBondContact O-N 3.17Å; G570-A572 PolarHBondContact O-N 3.3Å; A572-L670 HydrophobicContact CB-CD2 3.46Å; A572-L670 VanDerWaalsContact CB-CD2 3.46Å |
| 573 | H | 46.2 | Very low | 55.6 | Low | 78 Ų | 78 | 81.3 Ų | 81.3 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -8.7 | -173.2 | -64.6 | -53.8 | 0 | 0 | 0 | 114.9 | G570 H575 | G570-H573 PolarHBondContact O-N 3.44Å; H573-H575 PolarHBondContact O-N 3.43Å |
| 574 | S | 30.7 | Very low | 52.7 | Low | 90 Ų | 90 | 81.5 Ų | 81.5 | 63% | 0.629 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 4.4 | -169.1 | -166.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 575 | H | 31.7 | Very low | 49.7 | Very low | 185 Ų | 185 | 85.6 Ų | 85.6 | 86% | 0.856 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.2 | 34 | 179.9 | -65.6 | -56.1 | 0 | 0 | 0 | 115.1 | H573 | H573-H575 PolarHBondContact O-N 3.43Š|
| 576 | G | 32.5 | Very low | 46.9 | Very low | 84 Ų | 84 | 89.2 Ų | 89.2 | 87% | 0.866 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -95.2 | -7.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 577 | G | 29 | Very low | 44.2 | Very low | 58 Ų | 58 | 94.6 Ų | 94.6 | 60% | 0.598 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -143.8 | 93.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 578 | H | 28.6 | Very low | 41.3 | Very low | 156 Ų | 156 | 94.9 Ų | 94.9 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | trans | 151.1 | 62.4 | 154.3 | -85.8 | 81.8 | 0 | 0 | 0 | 109.5 | H580 | H578-H580 AromaticContact CD2-CE1 3.43Å; H578-H580 PolarHBondContact CD2-CE1 3.36Å; H578-H580 VanDerWaalsContact CD2-CE1 3.43Å; H578-H580 AromaticContact CD2-NE2 3.6Å; H578-H580 PolarHBondContact O-N 3.31Å | ||
| 579 | G | 28 | Very low | 38.8 | Very low | 77 Ų | 77 | 101.6 Ų | 101.6 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | trans | -67.5 | 89.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | S581 | G579-S581 PolarHBondContact O-N 3.2Š| ||
| 580 | H | 31.4 | Very low | 36.2 | Very low | 137 Ų | 137 | 107.2 Ų | 107.2 | 63% | 0.634 | 67% | 0.674 | S | S | * | * | trans | -62.6 | 90.1 | 165 | -71.3 | -71.5 | 0 | 0 | 0 | 107.6 | H578 H582 | H578-H580 AromaticContact CD2-CE1 3.43Å; H578-H580 PolarHBondContact CD2-CE1 3.36Å; H578-H580 VanDerWaalsContact CD2-CE1 3.43Å; H578-H580 AromaticContact CD2-NE2 3.6Å; H578-H580 PolarHBondContact O-N 3.31Å; H580-H582 PolarHBondContact O-N 2.92Å | ||
| 581 | S | 34.5 | Very low | 34.3 | Very low | 114 Ų | 114 | 110 Ų | 110 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | -63.8 | 95.1 | 157.5 | 46.1 | 0 | 0 | 0 | 0 | 106.2 | G579 G583 | G579-S581 PolarHBondContact O-N 3.2Å; S581-G583 PolarHBondContact O-N 2.87Å | ||
| 582 | H | 37.7 | Very low | 33 | Very low | 176 Ų | 176 | 108.5 Ų | 108.5 | 82% | 0.815 | 71% | 0.707 | S | S | * | * | trans | -56.1 | 108 | 166.2 | -81.4 | -82 | 0 | 0 | 0 | 107.6 | H580 G584 | H580-H582 PolarHBondContact O-N 2.92Å; H582-G584 VanDerWaalsContact C-N 3.32Å; H582-G584 PolarHBondContact O-N 3.3Å | ||
| 583 | G | 28.6 | Very low | 32.1 | Very low | 71 Ų | 71 | 114.8 Ų | 114.8 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | trans | -58.6 | 97.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S581 H585 | S581-G583 PolarHBondContact O-N 2.87Å; G583-H585 VanDerWaalsContact C-N 3.29Å; G583-H585 PolarHBondContact O-N 3.4Å; G583-H585 VanDerWaalsContact O-N 3.14Å | ||
| 584 | G | 31.4 | Very low | 31.2 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | -77.6 | 83.3 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | H582 G586 | H582-G584 VanDerWaalsContact C-N 3.32Å; H582-G584 PolarHBondContact O-N 3.3Å; G584-G586 PolarHBondContact O-N 2.94Å | ||
| 585 | H | 30.6 | Very low | 31.2 | Very low | 161 Ų | 161 | 117.7 Ų | 117.7 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -55.9 | 117.9 | 155.2 | -97.3 | 48.6 | 0 | 0 | 0 | 108.5 | G583 H587 | G583-H585 VanDerWaalsContact C-N 3.29Å; G583-H585 PolarHBondContact O-N 3.4Å; G583-H585 VanDerWaalsContact O-N 3.14Å; H585-H587 AromaticContact CD2-CE1 3.9Å; H585-H587 AromaticContact CD2-NE2 3.25Å; H585-H587 PolarHBondContact CD2-NE2 3.29Å; H585-H587 VanDerWaalsContact CD2-NE2 3.25Å | ||
| 586 | G | 31.4 | Very low | 31.2 | Very low | 75 Ų | 75 | 114 Ų | 114 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -141.7 | 85.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | G584 | G584-G586 PolarHBondContact O-N 2.94Š| ||
| 587 | H | 33.6 | Very low | 31.3 | Very low | 142 Ų | 142 | 118.8 Ų | 118.8 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | trans | -69.7 | 151.1 | 176.5 | -60.9 | -75.7 | 0 | 0 | 0 | 112 | H585 | H585-H587 AromaticContact CD2-CE1 3.9Å; H585-H587 AromaticContact CD2-NE2 3.25Å; H585-H587 PolarHBondContact CD2-NE2 3.29Å; H585-H587 VanDerWaalsContact CD2-NE2 3.25Å | ||
| 588 | S | 28.3 | Very low | 31.4 | Very low | 85 Ų | 85 | 119.1 Ų | 119.1 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | trans | 50.7 | 126.3 | 146.8 | 55.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 589 | H | 34.1 | Very low | 31.5 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | -171.5 | 129.8 | 92.7 | -87 | -66.6 | 0 | 0 | 0 | 111.4 | |||||
| 590 | S | 30.2 | Very low | 31.8 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -51.8 | 128.7 | 156.6 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 591 | G | 34.7 | Very low | 31.8 | Very low | 76 Ų | 76 | 118.9 Ų | 118.9 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | -169.7 | 81.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H593 | G591-H593 PolarHBondContact O-N 3.14Š| ||
| 592 | S | 28.3 | Very low | 31.9 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -51.5 | 124 | 159 | 152.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 593 | H | 32.4 | Very low | 31.5 | Very low | 178 Ų | 178 | 125.5 Ų | 125.5 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | 170.3 | 120 | 129.3 | -84.6 | -33.8 | 0 | 0 | 0 | 112.1 | G591 | G591-H593 PolarHBondContact O-N 3.14Š| |||
| 594 | G | 26.6 | Very low | 31.7 | Very low | 59 Ų | 59 | 129.7 Ų | 129.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | 51.2 | 120.5 | 118.5 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 595 | H | 32 | Very low | 31.7 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | trans | 88.8 | 102.6 | 137.2 | -56.6 | -60 | 0 | 0 | 0 | 120 | ||||
| 596 | S | 30.9 | Very low | 32 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 36.6 | 102.3 | 124.8 | 57.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 597 | H | 35.4 | Very low | 32.1 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -123.5 | 131.6 | 149.7 | -69.1 | -82.6 | 0 | 0 | 0 | 106.4 | ||||
| 598 | G | 30.5 | Very low | 32.2 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | cis | 85.8 | 83.2 | 31.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 599 | D | 31.5 | Very low | 32.4 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 73.1 | 120.8 | 162.6 | -65 | -33.9 | 0 | 0 | 0 | 122.4 | ||||
| 600 | S | 32.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 96.8 | 115.8 | 131.3 | 72.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 601 | S | 32.6 | Very low | 32.6 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 83.8 | 65.4 | 145.2 | 74.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 602 | H | 36 | Very low | 32.7 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -125.3 | 140.7 | 158.6 | -65 | -51 | 0 | 0 | 0 | 113.5 | ||||
| 603 | R | 29.5 | Very low | 33 | Very low | 243 Ų | 243 | 142.5 Ų | 142.5 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -74.2 | 140.5 | -158.9 | -67.6 | 168.9 | 175.1 | 171.4 | -2.2 | 112.3 | ||||
| 604 | H | 33.4 | Very low | 33.1 | Very low | 160 Ų | 160 | 143 Ų | 143 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -66.2 | 121.7 | 177.4 | -63.6 | -79.9 | 0 | 0 | 0 | 112.5 | ||||
| 605 | C | 31.3 | Very low | 33.2 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | trans | -124.3 | 110.5 | 153.4 | -77.5 | 0 | 0 | 0 | 0 | 107.3 | N607 | C605-N607 PolarHBondContact O-N 2.95Š| ||
| 606 | H | 36 | Very low | 33.3 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 110 | -177.1 | -71.6 | -84 | 0 | 0 | 0 | 110.9 | ||||
| 607 | N | 34.2 | Very low | 33.3 | Very low | 165 Ų | 165 | 152 Ų | 152 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -90.7 | 115.7 | 157 | -100.9 | -6.3 | 0 | 0 | 0 | 107.7 | C605 | C605-N607 PolarHBondContact O-N 2.95Š| ||
| 608 | H | 36.4 | Very low | 33.1 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | trans | -94.6 | 100 | 172.7 | -72.1 | -72 | 0 | 0 | 0 | 109.5 | ||||
| 609 | E | 31.8 | Very low | 33 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -79.9 | 120.5 | 158.3 | -80 | -174.8 | 145.2 | 0 | 0 | 108.9 | G611 | E609-G611 PolarHBondContact O-N 3.34Š| ||
| 610 | H | 36.9 | Very low | 32.9 | Very low | 155 Ų | 155 | 154.4 Ų | 154.4 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -85.2 | 86.3 | 171.8 | -74.3 | -74.7 | 0 | 0 | 0 | 110.3 | ||||
| 611 | G | 32.4 | Very low | 32.6 | Very low | 70 Ų | 70 | 154.8 Ų | 154.8 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -92.7 | 100.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110 | E609 S613 | E609-G611 PolarHBondContact O-N 3.34Å; G611-S613 PolarHBondContact O-N 3.32Å | ||
| 612 | H | 36.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -81.4 | 106.7 | 172.4 | -68.9 | -70 | 0 | 0 | 0 | 110 | ||||
| 613 | S | 33 | Very low | 31.9 | Very low | 115 Ų | 115 | 153.9 Ų | 153.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 131.3 | 165.6 | 50.7 | 0 | 0 | 0 | 0 | 110 | G611 S615 | G611-S613 PolarHBondContact O-N 3.32Å; S613-S615 PolarHBondContact O-N 2.97Å |
| 614 | H | 35.7 | Very low | 32.1 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 121.3 | -178.7 | -73.6 | -77.8 | 0 | 0 | 0 | 111.7 | ||
| 615 | S | 28.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 130.7 | 163.6 | 57.3 | 0 | 0 | 0 | 0 | 111 | S613 | S613-S615 PolarHBondContact O-N 2.97Š|
| 616 | R | 32.7 | Very low | 31.8 | Very low | 247 Ų | 247 | 153.9 Ų | 153.9 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -134.3 | 92.8 | 151.8 | -81.4 | -172.4 | 177.4 | 171.9 | 0.2 | 108.6 | ||||
| 617 | N | 30.9 | Very low | 31.3 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -86 | 141.6 | 165.3 | -92.8 | -16.5 | 0 | 0 | 0 | 109.8 | ||||
| 618 | H | 31.7 | Very low | 31.2 | Very low | 179 Ų | 179 | 152 Ų | 152 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -85.7 | 157.9 | 171.8 | -84 | -80.2 | 0 | 0 | 0 | 112.2 | ||||
| 619 | S | 28 | Very low | 30.5 | Very low | 98 Ų | 98 | 152.5 Ų | 152.5 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | 80.4 | 107.1 | 152 | 60.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 620 | H | 29.9 | Very low | 30.6 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | 55.4 | 113.5 | 124.4 | -62.9 | -64.5 | 0 | 0 | 0 | 120.5 | |||||
| 621 | S | 25.9 | Very low | 30 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | 135 | 147.1 | 105.2 | 67.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 622 | S | 30 | Very low | 30.2 | Very low | 111 Ų | 111 | 156.8 Ų | 156.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 84.5 | 100 | 165 | 74.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 623 | N | 25.2 | Very low | 29.7 | Very low | 158 Ų | 158 | 158 Ų | 158 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | 21.1 | 116.3 | 126.9 | -82 | -11.4 | 0 | 0 | 0 | 117.6 | |||||
| 624 | R | 32.8 | Very low | 29.4 | Very low | 242 Ų | 242 | 161.7 Ų | 161.7 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | -169.1 | 123.3 | 116.6 | -102.6 | 164.6 | -171.8 | -178.1 | 3.1 | 111.1 | |||||
| 625 | S | 25.8 | Very low | 29.2 | Very low | 102 Ų | 102 | 157.6 Ų | 157.6 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -48.2 | 133.9 | 166.5 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 626 | H | 34.1 | Very low | 29 | Very low | 189 Ų | 189 | 158.1 Ų | 158.1 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -147.2 | 113.4 | 139.1 | -88.7 | -65.6 | 0 | 0 | 0 | 110.2 | ||||
| 627 | S | 23.9 | Very low | 28.8 | Very low | 92 Ų | 92 | 155 Ų | 155 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 156.6 | 168.8 | 48 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 628 | H | 32.6 | Very low | 28.8 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 165 | 91.5 | 142.7 | -81.2 | -57.6 | 0 | 0 | 0 | 106.3 | ||||
| 629 | H | 22.7 | Very low | 28.5 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 59.4 | 121.3 | 76.2 | -127.6 | -66.2 | 0 | 0 | 0 | 114.7 | |||||
| 630 | Y | 33.4 | Very low | 28.6 | Very low | 213 Ų | 213 | 154.7 Ų | 154.7 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 147.2 | 91 | 158.1 | -81.2 | -63.3 | 0 | 0 | 0 | 106.7 | ||||
| 631 | D | 23.4 | Very low | 28.4 | Very low | 112 Ų | 112 | 155.2 Ų | 155.2 | 60% | 0.599 | 80% | 0.803 | S | S | * | * | 64.2 | 91.4 | 56.7 | -144.9 | 9.2 | 0 | 0 | 0 | 113.5 | |||||
| 632 | H | 36.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 158.1 Ų | 158.1 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -147.8 | 129 | 154.7 | -83.3 | -57.9 | 0 | 0 | 0 | 111.2 | ||||
| 633 | K | 26.7 | Very low | 28.6 | Very low | 190 Ų | 190 | 161 Ų | 161 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -80.5 | 148.1 | -163 | -69.5 | 171.2 | 175.4 | 174.8 | 0 | 113.8 | ||||
| 634 | H | 26.4 | Very low | 28.6 | Very low | 191 Ų | 191 | 162.1 Ų | 162.1 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -74.9 | 132.9 | 172.8 | -69.2 | -89.3 | 0 | 0 | 0 | 112.2 | ||||
| 635 | A | 31.8 | Very low | 28.5 | Very low | 103 Ų | 103 | 161.1 Ų | 161.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -123.4 | 105.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 636 | V | 25 | Very low | 28.6 | Very low | 121 Ų | 121 | 159.2 Ų | 159.2 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -21.5 | 129.5 | 157.1 | 178.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 637 | E | 27.3 | Very low | 28.3 | Very low | 180 Ų | 180 | 158.5 Ų | 158.5 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | 175.5 | 139.1 | 109.4 | -122 | 140.1 | -133.7 | 0 | 0 | 114.2 | |||||
| 638 | A | 31.1 | Very low | 28.6 | Very low | 94 Ų | 94 | 160.6 Ų | 160.6 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | 62.6 | 99.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | N640 | A638-N640 PolarHBondContact O-N 2.95Š| ||
| 639 | H | 25.3 | Very low | 28.5 | Very low | 189 Ų | 189 | 160.6 Ų | 160.6 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -58.4 | 113.6 | 163.6 | -68.7 | -98.4 | 0 | 0 | 0 | 112.3 | ||||
| 640 | N | 30.5 | Very low | 28.7 | Very low | 158 Ų | 158 | 156.5 Ų | 156.5 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -117.5 | 116.2 | 149.5 | -92.1 | -19.3 | 0 | 0 | 0 | 107.2 | A638 E642 | A638-N640 PolarHBondContact O-N 2.95Å; N640-E642 VanDerWaalsContact C-N 3.32Å; N640-E642 PolarHBondContact O-N 3.46Å | ||
| 641 | E | 27 | Very low | 28.5 | Very low | 192 Ų | 192 | 154 Ų | 154 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -68.3 | 84.8 | 177.4 | -66.1 | 179.7 | 157.3 | 0 | 0 | 109.9 | ||||
| 642 | E | 29.1 | Very low | 28.6 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -108.1 | 112.4 | 159.8 | -77.8 | -169.6 | 162 | 0 | 0 | 109.2 | N640 H644 | N640-E642 VanDerWaalsContact C-N 3.32Å; N640-E642 PolarHBondContact O-N 3.46Å; E642-H644 PolarHBondContact O-N 3.27Å | ||
| 643 | L | 29.4 | Very low | 28.3 | Very low | 173 Ų | 173 | 156.4 Ų | 156.4 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -50.1 | 106.4 | 179.1 | -76.7 | 140.4 | 0 | 0 | 0 | 111.4 | Y645 | L643-Y645 PolarHBondContact O-N 3.4Š| ||
| 644 | H | 24.8 | Very low | 28.1 | Very low | 181 Ų | 181 | 159.3 Ų | 159.3 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -57.8 | 108 | 170.3 | -81.3 | -88.7 | 0 | 0 | 0 | 110.6 | E642 G646 | E642-H644 PolarHBondContact O-N 3.27Å; H644-G646 PolarHBondContact O-N 3.45Å; H644-G646 VanDerWaalsContact O-N 3.16Å | ||
| 645 | Y | 32.2 | Very low | 28.2 | Very low | 220 Ų | 220 | 155 Ų | 155 | 86% | 0.863 | 81% | 0.811 | S | S | * | * | trans | -55.6 | 115.1 | 161.6 | -110.9 | -99 | 0 | 0 | 0 | 108.6 | L643 H647 | L643-Y645 PolarHBondContact O-N 3.4Å; Y645-H647 PolarHBondContact O-N 3.26Å | ||
| 646 | G | 27.7 | Very low | 27.9 | Very low | 63 Ų | 63 | 152.9 Ų | 152.9 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | -55.6 | 123.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H644 T648 | H644-G646 PolarHBondContact O-N 3.45Å; H644-G646 VanDerWaalsContact O-N 3.16Å; G646-T648 PolarHBondContact O-N 2.81Å; G646-T648 VanDerWaalsContact O-N 3.08Å | ||
| 647 | H | 27.5 | Very low | 27.9 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -65.8 | 103 | 169.9 | -66.3 | -72.9 | 0 | 0 | 0 | 109.1 | Y645 H649 | Y645-H647 PolarHBondContact O-N 3.26Å; H647-H649 PolarHBondContact O-N 2.82Å | ||
| 648 | T | 29 | Very low | 27.9 | Very low | 136 Ų | 136 | 151 Ų | 151 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -75.6 | 116.4 | 168.2 | 47.8 | 0 | 0 | 0 | 0 | 108.4 | G646 G650 | G646-T648 PolarHBondContact O-N 2.81Å; G646-T648 VanDerWaalsContact O-N 3.08Å; T648-G650 PolarHBondContact O-N 2.98Å | ||
| 649 | H | 31 | Very low | 27.8 | Very low | 172 Ų | 172 | 155.3 Ų | 155.3 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -60.8 | 101.4 | 169 | -77 | -80 | 0 | 0 | 0 | 108.7 | H647 H651 | H647-H649 PolarHBondContact O-N 2.82Å; H649-H651 PolarHBondContact O-N 2.79Å | ||
| 650 | G | 27.4 | Very low | 28.2 | Very low | 71 Ų | 71 | 151 Ų | 151 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -63.8 | 85.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T648 Q652 | T648-G650 PolarHBondContact O-N 2.98Å; G650-Q652 VanDerWaalsContact C-N 3.31Å; G650-Q652 PolarHBondContact O-N 3.49Å | ||
| 651 | H | 28.9 | Very low | 28.4 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 100.9 | 158 | -81.2 | -77.2 | 0 | 0 | 0 | 106.9 | H649 Q653 | H649-H651 PolarHBondContact O-N 2.79Å; H651-Q653 PolarHBondContact O-N 3.02Å | ||
| 652 | Q | 26.8 | Very low | 29.1 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -61.7 | 72.8 | 157.9 | -90.3 | 161.3 | -45.4 | 0 | 0 | 108.4 | G650 R654 | G650-Q652 VanDerWaalsContact C-N 3.31Å; G650-Q652 PolarHBondContact O-N 3.49Å; Q652-R654 PolarHBondContact O-N 3.34Å | ||
| 653 | Q | 29.9 | Very low | 29.7 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | trans | -65 | 116 | 155.8 | -76.6 | 179.7 | -8.9 | 0 | 0 | 105.6 | H651 C655 | H651-Q653 PolarHBondContact O-N 3.02Å; Q653-C655 PolarHBondContact O-N 2.95Å | ||
| 654 | R | 22.7 | Very low | 30.5 | Very low | 250 Ų | 250 | 140.6 Ų | 140.6 | 94% | 0.943 | 73% | 0.727 | S | S | * | * | trans | -59.5 | 76.1 | 163.2 | -79.8 | 174.2 | 163 | 168.2 | -5.5 | 107.9 | Q652 G656 | Q652-R654 PolarHBondContact O-N 3.34Å; R654-G656 PolarHBondContact O-N 3Å | ||
| 655 | C | 27.8 | Very low | 31.6 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 69% | 0.689 | 69% | 0.694 | S | S | * | * | trans | -65 | 120 | 165.5 | -65.5 | 0 | 0 | 0 | 0 | 105.7 | Q653 S657 | Q653-C655 PolarHBondContact O-N 2.95Å; C655-S657 PolarHBondContact O-N 3.04Å | ||
| 656 | G | 25.4 | Very low | 32.7 | Very low | 58 Ų | 58 | 124 Ų | 124 | 60% | 0.598 | 66% | 0.661 | S | S | * | * | trans | -43.7 | 136.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R654 H658 | R654-G656 PolarHBondContact O-N 3Å; G656-H658 VanDerWaalsContact C-N 3.3Å; G656-H658 PolarHBondContact O-N 3.37Å | ||
| 657 | S | 24.3 | Very low | 34.9 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | trans | -53.6 | 95.9 | 173.4 | -170 | 0 | 0 | 0 | 0 | 108.7 | C655 K659 | C655-S657 PolarHBondContact O-N 3.04Å; S657-K659 PolarHBondContact O-N 3.45Å; S657-K659 WeakPolarHBondContact OG-CG 3.47Å | ||
| 658 | H | 28.1 | Very low | 37.6 | Very low | 167 Ų | 167 | 115.3 Ų | 115.3 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | trans | -70.5 | 65.3 | 161.1 | -81.3 | -91.1 | 0 | 0 | 0 | 107.6 | G656 | G656-H658 VanDerWaalsContact C-N 3.3Å; G656-H658 PolarHBondContact O-N 3.37Å | ||
| 659 | K | 28.3 | Very low | 40.4 | Very low | 183 Ų | 183 | 109 Ų | 109 | 80% | 0.796 | 57% | 0.567 | S | S | * | * | trans | -76.6 | 132.1 | 154.7 | -85.7 | 176.7 | 173.7 | -178.3 | 0 | 105.8 | S657 | S657-K659 PolarHBondContact O-N 3.45Å; S657-K659 WeakPolarHBondContact OG-CG 3.47Å | ||
| 660 | S | 34.4 | Very low | 43 | Very low | 100 Ų | 100 | 101.5 Ų | 101.5 | 70% | 0.699 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 102.6 | 32.1 | 176.2 | -161 | 0 | 0 | 0 | 0 | 118.6 | ||
| 661 | Q | 35.2 | Very low | 45.8 | Very low | 138 Ų | 138 | 101.8 Ų | 101.8 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -130.5 | 8.2 | 171.8 | -131.5 | 175.2 | 3.7 | 0 | 0 | 116.9 | ||
| 662 | K | 40.1 | Very low | 48.7 | Very low | 158 Ų | 158 | 94.2 Ų | 94.2 | 69% | 0.687 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -115.3 | 1.9 | -179.6 | -88.7 | -171.6 | 174.3 | -171.9 | 0 | 116.3 | E664 | K662-E664 VanDerWaalsContact C-N 3.31Å; K662-E664 PolarHBondContact O-N 2.87Å; K662-E664 VanDerWaalsContact O-N 3.14Å |
| 663 | D | 42.4 | Very low | 51.7 | Low | 92 Ų | 92 | 85 Ų | 85 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 5 | -169.5 | -51.8 | -31.7 | 0 | 0 | 0 | 116.2 | ||
| 664 | E | 47 | Very low | 54.6 | Low | 87 Ų | 87 | 80.2 Ų | 80.2 | 41% | 0.407 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -14.7 | -176 | -73.8 | 170.6 | -131.1 | 0 | 0 | 115.8 | K662 E666 D667 K766 | K662-E664 VanDerWaalsContact C-N 3.31Å; K662-E664 PolarHBondContact O-N 2.87Å; K662-E664 VanDerWaalsContact O-N 3.14Å; E664-E666 PolarHBondContact O-N 2.95Å; E664-D667 VanDerWaalsContact O-CB 3.22Å; E664-D667 WeakPolarHBondContact O-CB 3.47Å; E664-D667 PolarHBondContact O-N 2.95Å; E664-K766 HydrophobicContact CB-CD 4Å; E664-K766 HydrophobicContact CB-CG 4.35Å; E664-K766 WeakPolarHBondContact OE1-CE 3.47Å; E664-K766 IonicContact OE1-NZ 3.9Å; E664-K766 PolarHBondContact OE1-NZ 2.83Å; E664-K766 WeakPolarHBondContact OE2-CE 3.3Å; E664-K766 IonicContact OE2-NZ 3.52Å; E664-K766 PolarHBondContact OE2-NZ 2.76Å |
| 665 | A | 46.7 | Very low | 57.8 | Low | 19 Ų | 19 | 69.1 Ų | 69.1 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E514 D667 | E514-A665 WeakPolarHBondContact OE2-CB 3.47Å; E514-A665 VanDerWaalsContact OE2-O 3.11Å; A665-D667 PolarHBondContact O-N 3.39Å; A665-D667 VanDerWaalsContact O-N 3.17Å |
| 666 | E | 56.8 | Low | 60.7 | Low | 34 Ų | 34 | 64.4 Ų | 64.4 | 16% | 0.159 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56 | -20.6 | 166.9 | -56.5 | -174.2 | 169.8 | 0 | 0 | 113.2 | A444 E514 E664 L670 | A444-E666 WeakPolarHBondContact CB-OE2 3.42Å; E514-E666 PolarHBondContact OE2-N 3.14Å; E664-E666 PolarHBondContact O-N 2.95Å; E666-L670 WeakPolarHBondContact O-CB 3.48Å; E666-L670 PolarHBondContact O-N 3Å |
| 667 | D | 73.4 | Confident | 63.8 | Low | 50 Ų | 50 | 61.6 Ų | 61.6 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | -170.4 | -88.9 | -25.8 | 0 | 0 | 0 | 113.9 | E664 A665 N669 L670 R671 | E664-D667 VanDerWaalsContact O-CB 3.22Å; E664-D667 WeakPolarHBondContact O-CB 3.47Å; E664-D667 PolarHBondContact O-N 2.95Å; A665-D667 PolarHBondContact O-N 3.39Å; A665-D667 VanDerWaalsContact O-N 3.17Å; D667-N669 PolarHBondContact O-N 2.83Å; D667-L670 PolarHBondContact O-N 3.2Å; D667-R671 WeakPolarHBondContact O-CA 3.46Å; D667-R671 WeakPolarHBondContact O-CB 3.28Å; D667-R671 PolarHBondContact O-N 3.48Å |
| 668 | A | 83.3 | Confident | 67 | Low | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G672 L721 T725 | A668-G672 PolarHBondContact O-N 3.46Å; A668-L721 HydrophobicContact CB-CD1 4.41Å; A668-L721 WeakPolarHBondContact O-CD1 3.37Å; A668-T725 HydrophobicContact CB-CG2 3.91Å |
| 669 | N | 87.6 | Confident | 69.9 | Low | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.8 | -50.3 | 176.8 | -177 | 39 | 0 | 0 | 0 | 111.4 | G491 E514 S517 D667 R671 G672 V673 | G491-N669 WeakPolarHBondContact CA-OD1 3.3Å; G491-N669 PolarHBondContact O-ND2 3.37Å; E514-N669 HydrophobicContact CB-CB 4.04Å; E514-N669 HydrophobicContact CG-CB 4.29Å; S517-N669 WeakPolarHBondContact CB-OD1 3.18Å; S517-N669 PolarHBondContact OG-OD1 3.01Å; D667-N669 PolarHBondContact O-N 2.83Å; N669-R671 PolarHBondContact O-N 3.07Å; N669-G672 PolarHBondContact O-N 3.5Å; N669-V673 WeakPolarHBondContact O-CG2 3.47Å; N669-V673 PolarHBondContact O-N 3.45Å |
| 670 | L | 85.8 | Confident | 72.8 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | -179.5 | -175.3 | 65 | 0 | 0 | 0 | 111.7 | I448 L569 A572 E666 D667 G672 V673 Y674 | I448-L670 HydrophobicContact CD1-CD1 4.18Å; I448-L670 HydrophobicContact CG1-CD1 4.25Å; L569-L670 HydrophobicContact CD2-CD1 3.76Å; A572-L670 HydrophobicContact CB-CD2 3.46Å; A572-L670 VanDerWaalsContact CB-CD2 3.46Å; E666-L670 WeakPolarHBondContact O-CB 3.48Å; E666-L670 PolarHBondContact O-N 3Å; D667-L670 PolarHBondContact O-N 3.2Å; L670-G672 VanDerWaalsContact C-N 3.33Å; L670-V673 PolarHBondContact O-N 3.31Å; L670-Y674 WeakPolarHBondContact O-CB 3.35Å; L670-Y674 PolarHBondContact O-N 2.95Å |
| 671 | R | 87.4 | Confident | 75.5 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 29% | 0.291 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.6 | -41 | 172.8 | -177.1 | 176.2 | 178.5 | -161.8 | 1.2 | 110.8 | D667 N669 L675 L721 D724 | D667-R671 WeakPolarHBondContact O-CA 3.46Å; D667-R671 WeakPolarHBondContact O-CB 3.28Å; D667-R671 PolarHBondContact O-N 3.48Å; N669-R671 PolarHBondContact O-N 3.07Å; R671-L675 HydrophobicContact CG-CD1 4.18Å; R671-L675 HydrophobicContact CG-CG 4.39Å; R671-L675 VanDerWaalsContact O-CB 3.3Å; R671-L675 WeakPolarHBondContact O-CB 3.36Å; R671-L675 WeakPolarHBondContact O-CG 3.34Å; R671-L675 PolarHBondContact O-N 2.88Å; R671-L721 HydrophobicContact CB-CD1 4.38Å; R671-L721 HydrophobicContact CG-CD1 4.29Å; R671-D724 IonicContact CZ-OD2 3.96Å; R671-D724 IonicContact NH1-OD2 3.02Å; R671-D724 PolarHBondContact NH1-OD2 3Å |
| 672 | G | 89.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.2 | -59.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N521 A668 N669 L670 Y674 L675 H676 L721 | N521-G672 WeakPolarHBondContact ND2-CA 3.28Å; N521-G672 PolarHBondContact ND2-O 2.83Å; A668-G672 PolarHBondContact O-N 3.46Å; N669-G672 PolarHBondContact O-N 3.5Å; L670-G672 VanDerWaalsContact C-N 3.33Å; G672-Y674 VanDerWaalsContact C-N 3.29Å; G672-Y674 PolarHBondContact O-N 3.25Å; G672-L675 PolarHBondContact O-N 3.13Å; G672-H676 PolarHBondContact O-N 2.88Å; G672-L721 VanDerWaalsContact CA-CD2 3.43Å |
| 673 | V | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.3 | -44.1 | 178.7 | 165.4 | 0 | 0 | 0 | 0 | 111.5 | L488 L569 N669 L670 H676 V677 | L488-V673 HydrophobicContact CD2-CB 4.34Å; L488-V673 HydrophobicContact CD2-CG1 3.36Å; L488-V673 HydrophobicContact CD2-CG2 4.35Å; L569-V673 HydrophobicContact CD1-CG1 3.71Å; L569-V673 HydrophobicContact CD2-CG1 4.29Å; N669-V673 WeakPolarHBondContact O-CG2 3.47Å; N669-V673 PolarHBondContact O-N 3.45Å; L670-V673 PolarHBondContact O-N 3.31Å; V673-H676 WeakPolarHBondContact O-CB 3.34Å; V673-H676 PolarHBondContact O-N 2.95Å; V673-V677 WeakPolarHBondContact O-CG2 3.1Å; V673-V677 PolarHBondContact O-N 3.45Å |
| 674 | Y | 90.5 | Very high | 82.7 | Confident | 52 Ų | 52 | 26.7 Ų | 26.7 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 176.7 | 172.8 | -95.7 | 0 | 0 | 0 | 112.6 | V566 L569 L670 G672 H676 V677 L678 | V566-Y674 HydrophobicContact CG1-CE2 3.97Å; L569-Y674 HydrophobicContact CB-CD2 4.04Å; L670-Y674 WeakPolarHBondContact O-CB 3.35Å; L670-Y674 PolarHBondContact O-N 2.95Å; G672-Y674 VanDerWaalsContact C-N 3.29Å; G672-Y674 PolarHBondContact O-N 3.25Å; Y674-H676 PolarHBondContact O-N 2.97Å; Y674-V677 PolarHBondContact O-N 2.89Å; Y674-L678 HydrophobicContact CE1-CD2 4.03Å; Y674-L678 VanDerWaalsContact O-CB 3.29Å; Y674-L678 WeakPolarHBondContact O-CB 3.29Å; Y674-L678 PolarHBondContact O-N 3.38Å |
| 675 | L | 90.4 | Very high | 84.8 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -32.3 | 178.5 | -75.9 | -179.4 | 0 | 0 | 0 | 112.1 | L525 R671 G672 L678 A679 S717 L721 | L525-L675 HydrophobicContact CD1-CB 3.96Å; R671-L675 HydrophobicContact CG-CD1 4.18Å; R671-L675 HydrophobicContact CG-CG 4.39Å; R671-L675 VanDerWaalsContact O-CB 3.3Å; R671-L675 WeakPolarHBondContact O-CB 3.36Å; R671-L675 WeakPolarHBondContact O-CG 3.34Å; R671-L675 PolarHBondContact O-N 2.88Å; G672-L675 PolarHBondContact O-N 3.13Å; L675-L678 HydrophobicContact CD2-CD2 4.4Å; L675-A679 WeakPolarHBondContact O-CB 3.28Å; L675-A679 PolarHBondContact O-N 3.21Å; L675-S717 WeakPolarHBondContact CD1-O 3.43Å; L675-S717 WeakPolarHBondContact CD2-OG 3.13Å; L675-L721 HydrophobicContact CD1-CB 4.38Å; L675-L721 HydrophobicContact CD1-CD2 4.22Å |
| 676 | H | 89.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.6 | -51.5 | 174.2 | 177.2 | 78.3 | 0 | 0 | 0 | 111.8 | D484 L525 G672 V673 Y674 L678 A679 D680 | D484-H676 WeakPolarHBondContact CB-NE2 3.32Å; D484-H676 PolarHBondContact O-NE2 2.68Å; D484-H676 IonicContact OD1-CE1 2.76Å; D484-H676 PolarHBondContact OD1-CE1 3.01Å; L525-H676 HydrophobicContact CD1-CB 4.29Å; L525-H676 HydrophobicContact CD2-CB 3.97Å; L525-H676 HydrophobicContact CG-CB 4.43Å; G672-H676 PolarHBondContact O-N 2.88Å; V673-H676 WeakPolarHBondContact O-CB 3.34Å; V673-H676 PolarHBondContact O-N 2.95Å; Y674-H676 PolarHBondContact O-N 2.97Å; H676-L678 PolarHBondContact O-N 3.02Å; H676-A679 WeakPolarHBondContact O-CA 3.29Å; H676-A679 VanDerWaalsContact O-CB 3.24Å; H676-A679 WeakPolarHBondContact O-CB 3.31Å; H676-A679 PolarHBondContact O-N 3.32Å; H676-D680 IonicContact CD2-OD2 3.46Å; H676-D680 IonicContact NE2-OD2 3.69Å; H676-D680 PolarHBondContact O-N 2.93Å; H676-D680 VanDerWaalsContact O-N 3.1Å |
| 677 | V | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -35.8 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | F451 L488 V566 L569 V673 Y674 A679 D680 T681 | F451-V677 HydrophobicContact CD1-CG2 4Å; F451-V677 HydrophobicContact CE1-CB 4.3Å; F451-V677 HydrophobicContact CE1-CG1 4.02Å; F451-V677 HydrophobicContact CE1-CG2 3.23Å; F451-V677 HydrophobicContact CE2-CG1 4.37Å; F451-V677 HydrophobicContact CZ-CB 4.41Å; F451-V677 HydrophobicContact CZ-CG1 3.68Å; F451-V677 HydrophobicContact CZ-CG2 3.77Å; L488-V677 HydrophobicContact CD2-CG2 4.23Å; V566-V677 HydrophobicContact CG2-CG1 4Å; L569-V677 HydrophobicContact CD1-CB 4.3Å; L569-V677 HydrophobicContact CD1-CG2 3.82Å; V673-V677 WeakPolarHBondContact O-CG2 3.1Å; V673-V677 PolarHBondContact O-N 3.45Å; Y674-V677 PolarHBondContact O-N 2.89Å; V677-A679 VanDerWaalsContact C-N 3.34Å; V677-D680 PolarHBondContact O-N 3.34Å; V677-T681 WeakPolarHBondContact O-CB 3.41Å; V677-T681 PolarHBondContact O-N 3.29Å; V677-T681 PolarHBondContact O-OG1 2.86Å |
| 678 | L | 91.1 | Very high | 89.1 | Confident | 46 Ų | 46 | 25.8 Ų | 25.8 | 24% | 0.241 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | 173.9 | -177.8 | 63.5 | 0 | 0 | 0 | 111.5 | V566 Y674 L675 H676 T681 L682 | V566-L678 HydrophobicContact CG2-CD1 4.4Å; Y674-L678 HydrophobicContact CE1-CD2 4.03Å; Y674-L678 VanDerWaalsContact O-CB 3.29Å; Y674-L678 WeakPolarHBondContact O-CB 3.29Å; Y674-L678 PolarHBondContact O-N 3.38Å; L675-L678 HydrophobicContact CD2-CD2 4.4Å; H676-L678 PolarHBondContact O-N 3.02Å; L678-T681 WeakPolarHBondContact O-CB 3.44Å; L678-T681 PolarHBondContact O-N 2.86Å; L678-L682 HydrophobicContact CD1-CD1 4.48Å; L678-L682 HydrophobicContact CD1-CG 4.36Å; L678-L682 HydrophobicContact CG-CD1 4.15Å; L678-L682 HydrophobicContact CG-CG 4.45Å; L678-L682 WeakPolarHBondContact O-CB 3.34Å; L678-L682 VanDerWaalsContact O-CG 3.28Å; L678-L682 WeakPolarHBondContact O-CG 3.07Å; L678-L682 PolarHBondContact O-N 3.4Å |
| 679 | A | 89.8 | Confident | 89.4 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L525 L675 H676 V677 T681 L682 G683 I714 | L525-A679 HydrophobicContact CD2-CB 4.13Å; L675-A679 WeakPolarHBondContact O-CB 3.28Å; L675-A679 PolarHBondContact O-N 3.21Å; H676-A679 WeakPolarHBondContact O-CA 3.29Å; H676-A679 VanDerWaalsContact O-CB 3.24Å; H676-A679 WeakPolarHBondContact O-CB 3.31Å; H676-A679 PolarHBondContact O-N 3.32Å; V677-A679 VanDerWaalsContact C-N 3.34Å; A679-T681 VanDerWaalsContact C-N 3.34Å; A679-T681 PolarHBondContact O-N 3.17Å; A679-L682 PolarHBondContact O-N 2.88Å; A679-G683 PolarHBondContact O-N 3.15Å; A679-I714 HydrophobicContact CB-CD1 3.62Å; A679-I714 HydrophobicContact CB-CG1 3.63Å; A679-I714 HydrophobicContact CB-CG2 4.13Å |
| 680 | D | 89.2 | Confident | 89.5 | Confident | 37 Ų | 37 | 30.7 Ų | 30.7 | 20% | 0.198 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.9 | -36.4 | 178.9 | -56.2 | -18.1 | 0 | 0 | 0 | 111.8 | N562 H676 V677 G683 S684 | N562-D680 WeakPolarHBondContact ND2-CB 3.48Å; H676-D680 IonicContact CD2-OD2 3.46Å; H676-D680 IonicContact NE2-OD2 3.69Å; H676-D680 PolarHBondContact O-N 2.93Å; H676-D680 VanDerWaalsContact O-N 3.1Å; V677-D680 PolarHBondContact O-N 3.34Å; D680-G683 PolarHBondContact O-N 2.94Å; D680-S684 PolarHBondContact O-N 3.06Å; D680-S684 PolarHBondContact O-OG 3.43Å |
| 681 | T | 91 | Very high | 89.5 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 9% | 0.092 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 172.2 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | L559 N562 I563 V566 V677 L678 A679 G683 S684 V685 | L559-T681 HydrophobicContact CD1-CG2 3.77Å; N562-T681 WeakPolarHBondContact CB-OG1 3.25Å; I563-T681 HydrophobicContact CG1-CG2 4.15Å; V566-T681 HydrophobicContact CG2-CG2 4.4Å; V566-T681 VanDerWaalsContact CG2-OG1 3.25Å; V566-T681 WeakPolarHBondContact CG2-OG1 3.35Å; V677-T681 WeakPolarHBondContact O-CB 3.41Å; V677-T681 PolarHBondContact O-N 3.29Å; V677-T681 PolarHBondContact O-OG1 2.86Å; L678-T681 WeakPolarHBondContact O-CB 3.44Å; L678-T681 PolarHBondContact O-N 2.86Å; A679-T681 VanDerWaalsContact C-N 3.34Å; A679-T681 PolarHBondContact O-N 3.17Å; T681-G683 VanDerWaalsContact C-N 3.34Å; T681-G683 PolarHBondContact O-N 3.44Å; T681-S684 PolarHBondContact O-N 2.94Å; T681-S684 PolarHBondContact O-OG 2.97Å; T681-V685 WeakPolarHBondContact O-CG2 3.4Å; T681-V685 PolarHBondContact O-N 3.26Å; T681-V685 VanDerWaalsContact O-N 3.07Å |
| 682 | L | 90.6 | Very high | 89.5 | Confident | 52 Ų | 52 | 32.2 Ų | 32.2 | 27% | 0.272 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.4 | -35.5 | 179.4 | -72.7 | 174.7 | 0 | 0 | 0 | 112.1 | L678 A679 V685 S686 I710 V713 | L678-L682 HydrophobicContact CD1-CD1 4.48Å; L678-L682 HydrophobicContact CD1-CG 4.36Å; L678-L682 HydrophobicContact CG-CD1 4.15Å; L678-L682 HydrophobicContact CG-CG 4.45Å; L678-L682 WeakPolarHBondContact O-CB 3.34Å; L678-L682 VanDerWaalsContact O-CG 3.28Å; L678-L682 WeakPolarHBondContact O-CG 3.07Å; L678-L682 PolarHBondContact O-N 3.4Å; A679-L682 PolarHBondContact O-N 2.88Å; L682-V685 PolarHBondContact O-N 3.09Å; L682-S686 WeakPolarHBondContact O-CB 3.49Å; L682-S686 PolarHBondContact O-N 3.45Å; L682-I710 HydrophobicContact CB-CD1 3.96Å; L682-I710 HydrophobicContact CB-CG2 4.14Å; L682-V713 HydrophobicContact CD1-CG1 4.07Å |
| 683 | G | 88.3 | Confident | 89.5 | Confident | 26 Ų | 26 | 33.3 Ų | 33.3 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A679 D680 T681 V685 S686 V687 | A679-G683 PolarHBondContact O-N 3.15Å; D680-G683 PolarHBondContact O-N 2.94Å; T681-G683 VanDerWaalsContact C-N 3.34Å; T681-G683 PolarHBondContact O-N 3.44Å; G683-V685 PolarHBondContact O-N 3.46Å; G683-S686 VanDerWaalsContact O-CB 3.31Å; G683-S686 WeakPolarHBondContact O-CB 3.04Å; G683-S686 PolarHBondContact O-N 2.92Å; G683-S686 VanDerWaalsContact O-N 3.13Å; G683-V687 WeakPolarHBondContact O-CG2 3.37Å; G683-V687 PolarHBondContact O-N 2.73Å |
| 684 | S | 88.4 | Confident | 89.4 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 177.1 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | L559 D680 T681 S686 V687 I688 | L559-S684 WeakPolarHBondContact CD1-OG 3.41Å; D680-S684 PolarHBondContact O-N 3.06Å; D680-S684 PolarHBondContact O-OG 3.43Å; T681-S684 PolarHBondContact O-N 2.94Å; T681-S684 PolarHBondContact O-OG 2.97Å; S684-S686 VanDerWaalsContact C-N 3.33Å; S684-S686 PolarHBondContact O-N 3.39Å; S684-V687 PolarHBondContact O-N 2.9Å; S684-I688 WeakPolarHBondContact O-CD1 3.4Å; S684-I688 VanDerWaalsContact O-CG1 3.31Å; S684-I688 WeakPolarHBondContact O-CG1 2.91Å; S684-I688 PolarHBondContact O-N 3.35Å |
| 685 | V | 91.6 | Very high | 89 | Confident | 71 Ų | 71 | 36.9 Ų | 36.9 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 170.8 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L559 T681 L682 G683 I688 F689 | L559-V685 HydrophobicContact CD1-CG2 3.69Å; L559-V685 HydrophobicContact CD2-CG2 4.17Å; T681-V685 WeakPolarHBondContact O-CG2 3.4Å; T681-V685 PolarHBondContact O-N 3.26Å; T681-V685 VanDerWaalsContact O-N 3.07Å; L682-V685 PolarHBondContact O-N 3.09Å; G683-V685 PolarHBondContact O-N 3.46Å; V685-I688 PolarHBondContact O-N 3.46Å; V685-F689 WeakPolarHBondContact O-CB 3.3Å; V685-F689 PolarHBondContact O-N 3.41Å |
| 686 | S | 90.1 | Very high | 88.9 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | L682 G683 S684 F689 S690 C706 | L682-S686 WeakPolarHBondContact O-CB 3.49Å; L682-S686 PolarHBondContact O-N 3.45Å; G683-S686 VanDerWaalsContact O-CB 3.31Å; G683-S686 WeakPolarHBondContact O-CB 3.04Å; G683-S686 PolarHBondContact O-N 2.92Å; G683-S686 VanDerWaalsContact O-N 3.13Å; S684-S686 VanDerWaalsContact C-N 3.33Å; S684-S686 PolarHBondContact O-N 3.39Å; S686-F689 PolarHBondContact O-N 3.24Å; S686-S690 WeakPolarHBondContact O-CB 3.37Å; S686-S690 PolarHBondContact O-N 3.06Å; S686-S690 PolarHBondContact O-OG 3.47Å; S686-C706 WeakPolarHBondContact OG-CB 3.44Å |
| 687 | V | 87.1 | Confident | 88.8 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | G683 S684 S690 S691 | G683-V687 WeakPolarHBondContact O-CG2 3.37Å; G683-V687 PolarHBondContact O-N 2.73Å; S684-V687 PolarHBondContact O-N 2.9Å; V687-S690 WeakPolarHBondContact CA-OG 3.39Å; V687-S690 PolarHBondContact O-OG 2.93Å; V687-S691 VanDerWaalsContact O-CB 3.25Å; V687-S691 WeakPolarHBondContact O-CB 3.21Å; V687-S691 PolarHBondContact O-N 3.46Å; V687-S691 PolarHBondContact O-OG 3Å |
| 688 | I | 89.3 | Confident | 88.5 | Confident | 43 Ų | 43 | 49 Ų | 49 | 22% | 0.221 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 177.7 | -67.2 | 163.3 | 0 | 0 | 0 | 110.2 | I556 L559 S684 V685 S691 F692 | I556-I688 HydrophobicContact CG1-CD1 3.97Å; I556-I688 HydrophobicContact CG1-CG1 4.33Å; L559-I688 HydrophobicContact CB-CD1 4.25Å; L559-I688 HydrophobicContact CD2-CD1 3.66Å; S684-I688 WeakPolarHBondContact O-CD1 3.4Å; S684-I688 VanDerWaalsContact O-CG1 3.31Å; S684-I688 WeakPolarHBondContact O-CG1 2.91Å; S684-I688 PolarHBondContact O-N 3.35Å; V685-I688 PolarHBondContact O-N 3.46Å; I688-S691 PolarHBondContact O-N 2.96Å; I688-F692 WeakPolarHBondContact O-CB 3.03Å; I688-F692 PolarHBondContact O-N 3.25Å |
| 689 | F | 90.1 | Very high | 88.2 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 48% | 0.478 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 179.5 | -174.6 | -109.2 | 0 | 0 | 0 | 112.1 | V685 S686 F692 L693 | V685-F689 WeakPolarHBondContact O-CB 3.3Å; V685-F689 PolarHBondContact O-N 3.41Å; S686-F689 PolarHBondContact O-N 3.24Å; F689-F692 PolarHBondContact O-N 3.24Å; F689-L693 HydrophobicContact CD1-CD1 3.99Å; F689-L693 HydrophobicContact CE1-CD1 3.51Å; F689-L693 HydrophobicContact CE1-CG 4.23Å; F689-L693 HydrophobicContact CZ-CD1 3.92Å; F689-L693 HydrophobicContact CZ-CD2 4.44Å; F689-L693 HydrophobicContact CZ-CG 4.28Å; F689-L693 WeakPolarHBondContact O-CG 3.45Å; F689-L693 PolarHBondContact O-N 2.92Å |
| 690 | S | 89.5 | Confident | 87.8 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 175.7 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | S686 V687 F692 L693 V694 D703 | S686-S690 WeakPolarHBondContact O-CB 3.37Å; S686-S690 PolarHBondContact O-N 3.06Å; S686-S690 PolarHBondContact O-OG 3.47Å; V687-S690 WeakPolarHBondContact CA-OG 3.39Å; V687-S690 PolarHBondContact O-OG 2.93Å; S690-F692 VanDerWaalsContact C-N 3.3Å; S690-F692 PolarHBondContact O-N 3Å; S690-L693 PolarHBondContact O-N 3.35Å; S690-L693 VanDerWaalsContact O-N 3.14Å; S690-V694 VanDerWaalsContact O-CG2 3.28Å; S690-V694 WeakPolarHBondContact O-CG2 3.36Å; S690-V694 PolarHBondContact O-N 2.82Å; S690-D703 PolarHBondContact OG-OD1 3.31Å |
| 691 | S | 87.1 | Confident | 87.7 | Confident | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 175.7 | -63 | 0 | 0 | 0 | 0 | 112.3 | V687 I688 T695 | V687-S691 VanDerWaalsContact O-CB 3.25Å; V687-S691 WeakPolarHBondContact O-CB 3.21Å; V687-S691 PolarHBondContact O-N 3.46Å; V687-S691 PolarHBondContact O-OG 3Å; I688-S691 PolarHBondContact O-N 2.96Å; S691-T695 WeakPolarHBondContact O-CB 3.36Å; S691-T695 PolarHBondContact O-N 3.09Å; S691-T695 PolarHBondContact O-OG1 3.37Å |
| 692 | F | 87.2 | Confident | 87.6 | Confident | 112 Ų | 112 | 58.6 Ų | 58.6 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 174.6 | 176.3 | -99.6 | 0 | 0 | 0 | 112 | I688 F689 S690 T695 T696 | I688-F692 WeakPolarHBondContact O-CB 3.03Å; I688-F692 PolarHBondContact O-N 3.25Å; F689-F692 PolarHBondContact O-N 3.24Å; S690-F692 VanDerWaalsContact C-N 3.3Å; S690-F692 PolarHBondContact O-N 3Å; F692-T695 PolarHBondContact O-N 3.35Å; F692-T696 VanDerWaalsContact O-CB 3.3Å; F692-T696 WeakPolarHBondContact O-CB 3.17Å; F692-T696 PolarHBondContact O-N 2.65Å; F692-T696 PolarHBondContact O-OG1 3.17Å |
| 693 | L | 89.6 | Confident | 87.5 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.7 | -71.2 | 178.8 | 0 | 0 | 0 | 112.8 | F689 S690 Y697 G698 A702 | F689-L693 HydrophobicContact CD1-CD1 3.99Å; F689-L693 HydrophobicContact CE1-CD1 3.51Å; F689-L693 HydrophobicContact CE1-CG 4.23Å; F689-L693 HydrophobicContact CZ-CD1 3.92Å; F689-L693 HydrophobicContact CZ-CD2 4.44Å; F689-L693 HydrophobicContact CZ-CG 4.28Å; F689-L693 WeakPolarHBondContact O-CG 3.45Å; F689-L693 PolarHBondContact O-N 2.92Å; S690-L693 PolarHBondContact O-N 3.35Å; S690-L693 VanDerWaalsContact O-N 3.14Å; L693-Y697 HydrophobicContact CD2-CD2 3.71Å; L693-Y697 HydrophobicContact CD2-CE2 3.87Å; L693-Y697 WeakPolarHBondContact O-CA 3.42Å; L693-Y697 WeakPolarHBondContact O-CB 3.45Å; L693-Y697 PolarHBondContact O-N 2.98Å; L693-G698 PolarHBondContact O-N 3.47Å; L693-A702 HydrophobicContact CB-CB 3.92Å; L693-A702 HydrophobicContact CD1-CB 4.06Å |
| 694 | V | 86.1 | Confident | 87.6 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | S690 G698 W699 A702 | S690-V694 VanDerWaalsContact O-CG2 3.28Å; S690-V694 WeakPolarHBondContact O-CG2 3.36Å; S690-V694 PolarHBondContact O-N 2.82Å; V694-G698 WeakPolarHBondContact O-CA 3.22Å; V694-G698 PolarHBondContact O-N 3.44Å; V694-W699 VanDerWaalsContact CG2-O 3.28Å; V694-W699 WeakPolarHBondContact CG2-O 3.38Å; V694-A702 HydrophobicContact CG2-CB 4.43Å |
| 695 | T | 83.6 | Confident | 87.8 | Confident | 100 Ų | 100 | 59.5 Ų | 59.5 | 61% | 0.613 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.8 | -36.9 | -176.9 | -52.9 | 0 | 0 | 0 | 0 | 112.5 | S691 F692 | S691-T695 WeakPolarHBondContact O-CB 3.36Å; S691-T695 PolarHBondContact O-N 3.09Å; S691-T695 PolarHBondContact O-OG1 3.37Å; F692-T695 PolarHBondContact O-N 3.35Å |
| 696 | T | 86.9 | Confident | 87.8 | Confident | 78 Ų | 78 | 57 Ų | 57 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -88.5 | -40.2 | -174.7 | -48.7 | 0 | 0 | 0 | 0 | 113.1 | F692 | F692-T696 VanDerWaalsContact O-CB 3.3Å; F692-T696 WeakPolarHBondContact O-CB 3.17Å; F692-T696 PolarHBondContact O-N 2.65Å; F692-T696 PolarHBondContact O-OG1 3.17Å |
| 697 | Y | 88.7 | Confident | 87.9 | Confident | 146 Ų | 146 | 57.6 Ų | 57.6 | 57% | 0.573 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -113.4 | -8.1 | -173.4 | -61.6 | -79.6 | 0 | 0 | 0 | 114 | L693 W699 | L693-Y697 HydrophobicContact CD2-CD2 3.71Å; L693-Y697 HydrophobicContact CD2-CE2 3.87Å; L693-Y697 WeakPolarHBondContact O-CA 3.42Å; L693-Y697 WeakPolarHBondContact O-CB 3.45Å; L693-Y697 PolarHBondContact O-N 2.98Å; Y697-W699 VanDerWaalsContact C-N 3.3Å; Y697-W699 PolarHBondContact O-N 2.85Å |
| 698 | G | 83 | Confident | 88.2 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | trans | 72.4 | 19.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L693 V694 N700 | L693-G698 PolarHBondContact O-N 3.47Å; V694-G698 WeakPolarHBondContact O-CA 3.22Å; V694-G698 PolarHBondContact O-N 3.44Å; G698-N700 PolarHBondContact O-N 3.46Å; G698-N700 VanDerWaalsContact O-N 3.07Å | ||
| 699 | W | 84.7 | Confident | 88.4 | Confident | 159 Ų | 159 | 62.8 Ų | 62.8 | 60% | 0.602 | 32% | 0.322 | S | S | * | . | trans | -81.5 | 83 | -177.1 | -72 | 6.1 | 0 | 0 | 0 | 112 | V694 Y697 V701 A702 | V694-W699 VanDerWaalsContact CG2-O 3.28Å; V694-W699 WeakPolarHBondContact CG2-O 3.38Å; Y697-W699 VanDerWaalsContact C-N 3.3Å; Y697-W699 PolarHBondContact O-N 2.85Å; W699-V701 PolarHBondContact O-N 2.9Å; W699-A702 HydrophobicContact CB-CB 4.14Å; W699-A702 WeakPolarHBondContact O-CB 3.39Å; W699-A702 PolarHBondContact O-N 3.46Å | ||
| 700 | N | 81.5 | Confident | 88.5 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.1 | -179.8 | -64.6 | -12 | 0 | 0 | 0 | 114.2 | P543 G698 | P543-N700 HydrophobicContact CB-CB 4.1Å; G698-N700 PolarHBondContact O-N 3.46Å; G698-N700 VanDerWaalsContact O-N 3.07Å |
| 701 | V | 87.8 | Confident | 88.7 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 34% | 0.339 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -2.3 | 177.4 | -165.6 | 0 | 0 | 0 | 0 | 112.4 | I540 W699 D703 P704 I705 | I540-V701 HydrophobicContact CG1-CG1 4.12Å; I540-V701 HydrophobicContact CG2-CG1 4.3Å; W699-V701 PolarHBondContact O-N 2.9Å; V701-D703 PolarHBondContact O-N 3.33Å; V701-P704 WeakPolarHBondContact O-CD 3.43Å; V701-I705 HydrophobicContact CG1-CD1 4.08Å; V701-I705 HydrophobicContact CG1-CG1 4.23Å; V701-I705 WeakPolarHBondContact O-CG1 3.47Å; V701-I705 PolarHBondContact O-N 3.07Å |
| 702 | A | 88.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | L693 V694 W699 I705 C706 | L693-A702 HydrophobicContact CB-CB 3.92Å; L693-A702 HydrophobicContact CD1-CB 4.06Å; V694-A702 HydrophobicContact CG2-CB 4.43Å; W699-A702 HydrophobicContact CB-CB 4.14Å; W699-A702 WeakPolarHBondContact O-CB 3.39Å; W699-A702 PolarHBondContact O-N 3.46Å; A702-I705 PolarHBondContact O-N 2.97Å; A702-C706 PolarHBondContact O-N 3.04Å; A702-C706 PolarHBondContact O-SG 3.4Å; A702-C706 VanDerWaalsContact O-SG 3.33Å |
| 703 | D | 87.7 | Confident | 89.5 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 9% | 0.086 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.8 | -50.8 | -179.6 | 175.8 | 73.2 | 0 | 0 | 0 | 113.4 | R539 S690 V701 I705 C706 S707 | R539-D703 IonicContact NH1-OD2 3.03Å; S690-D703 PolarHBondContact OG-OD1 3.31Å; V701-D703 PolarHBondContact O-N 3.33Å; D703-I705 VanDerWaalsContact C-N 3.33Å; D703-I705 PolarHBondContact O-N 3Å; D703-C706 PolarHBondContact O-N 2.96Å; D703-S707 VanDerWaalsContact O-CB 3.32Å; D703-S707 WeakPolarHBondContact O-CB 3.11Å; D703-S707 PolarHBondContact O-N 3.39Å; D703-S707 PolarHBondContact O-OG 3.08Å |
| 704 | P | 91.4 | Very high | 89.6 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.3 | -39.2 | 172.8 | -28.3 | 33.1 | 0 | 0 | 0 | 114.8 | R539 I540 V701 M708 | R539-P704 HydrophobicContact CB-CB 4.35Å; R539-P704 HydrophobicContact CB-CG 3.75Å; I540-P704 HydrophobicContact CD1-CB 4.41Å; I540-P704 HydrophobicContact CG1-CB 3.57Å; I540-P704 HydrophobicContact CG1-CG 4.35Å; V701-P704 WeakPolarHBondContact O-CD 3.43Å; P704-M708 WeakPolarHBondContact O-CB 3.14Å; P704-M708 PolarHBondContact O-N 3.41Å |
| 705 | I | 92 | Very high | 90 | Very high | 91 Ų | 91 | 57.9 Ų | 57.9 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.7 | -46.8 | -179.1 | -66.7 | 168.5 | 0 | 0 | 0 | 110.5 | V701 A702 D703 S707 M708 F709 | V701-I705 HydrophobicContact CG1-CD1 4.08Å; V701-I705 HydrophobicContact CG1-CG1 4.23Å; V701-I705 WeakPolarHBondContact O-CG1 3.47Å; V701-I705 PolarHBondContact O-N 3.07Å; A702-I705 PolarHBondContact O-N 2.97Å; D703-I705 VanDerWaalsContact C-N 3.33Å; D703-I705 PolarHBondContact O-N 3Å; I705-S707 VanDerWaalsContact C-N 3.35Å; I705-M708 PolarHBondContact O-N 3.29Å; I705-F709 PolarHBondContact O-N 3.32Å; I705-F709 VanDerWaalsContact O-N 3.08Å |
| 706 | C | 91.9 | Very high | 90.5 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 14% | 0.135 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 177.8 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | S686 A702 D703 M708 F709 I710 | S686-C706 WeakPolarHBondContact OG-CB 3.44Å; A702-C706 PolarHBondContact O-N 3.04Å; A702-C706 PolarHBondContact O-SG 3.4Å; A702-C706 VanDerWaalsContact O-SG 3.33Å; D703-C706 PolarHBondContact O-N 2.96Å; C706-M708 PolarHBondContact O-N 3.26Å; C706-F709 PolarHBondContact O-N 3.5Å; C706-I710 PolarHBondContact O-N 2.94Å |
| 707 | S | 91.6 | Very high | 90.7 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.3 | -63 | 0 | 0 | 0 | 0 | 112.5 | S536 D703 I705 I710 A711 | S536-S707 WeakPolarHBondContact OG-CB 3.5Å; D703-S707 VanDerWaalsContact O-CB 3.32Å; D703-S707 WeakPolarHBondContact O-CB 3.11Å; D703-S707 PolarHBondContact O-N 3.39Å; D703-S707 PolarHBondContact O-OG 3.08Å; I705-S707 VanDerWaalsContact C-N 3.35Å; S707-I710 PolarHBondContact O-N 3.34Å; S707-A711 VanDerWaalsContact O-CB 3.32Å; S707-A711 WeakPolarHBondContact O-CB 3.43Å; S707-A711 PolarHBondContact O-N 3.45Å |
| 708 | M | 93.6 | Very high | 90.9 | Very high | 63 Ų | 63 | 53.6 Ų | 53.6 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.5 | -174 | 172.4 | 61.6 | 0 | 0 | 111.8 | F533 P704 I705 C706 A711 C712 | F533-M708 HydrophobicContact CD2-CG 3.65Å; F533-M708 HydrophobicContact CE2-CG 3.37Å; F533-M708 HydrophobicContact CE2-SD 3.92Å; F533-M708 HydrophobicContact CZ-CG 4.28Å; F533-M708 HydrophobicContact CZ-SD 4.28Å; P704-M708 WeakPolarHBondContact O-CB 3.14Å; P704-M708 PolarHBondContact O-N 3.41Å; I705-M708 PolarHBondContact O-N 3.29Å; C706-M708 PolarHBondContact O-N 3.26Å; M708-A711 PolarHBondContact O-N 3.47Å; M708-C712 PolarHBondContact O-N 3.35Å; M708-C712 VanDerWaalsContact O-N 3.15Å; M708-C712 PolarHBondContact O-SG 2.96Å; M708-C712 VanDerWaalsContact O-SG 3.4Å |
| 709 | F | 94.7 | Very high | 91.4 | Very high | 138 Ų | 138 | 56.2 Ų | 56.2 | 61% | 0.605 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.4 | -49.3 | 177.5 | 176.1 | -102.6 | 0 | 0 | 0 | 111.9 | I705 C706 A711 C712 V713 | I705-F709 PolarHBondContact O-N 3.32Å; I705-F709 VanDerWaalsContact O-N 3.08Å; C706-F709 PolarHBondContact O-N 3.5Å; F709-A711 VanDerWaalsContact C-N 3.34Å; F709-A711 PolarHBondContact O-N 2.93Å; F709-C712 PolarHBondContact O-N 3.42Å; F709-V713 HydrophobicContact CD1-CG2 4.48Å; F709-V713 HydrophobicContact CE1-CG2 4.07Å; F709-V713 HydrophobicContact CE2-CG2 4.36Å; F709-V713 HydrophobicContact CZ-CG2 4.01Å; F709-V713 WeakPolarHBondContact O-CG2 3.22Å; F709-V713 PolarHBondContact O-N 3.18Å; F709-V713 VanDerWaalsContact O-N 3.1Å |
| 710 | I | 92.4 | Very high | 91.8 | Very high | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 178.4 | -69.3 | -49.4 | 0 | 0 | 0 | 111.6 | L682 C706 S707 C712 V713 I714 | L682-I710 HydrophobicContact CB-CD1 3.96Å; L682-I710 HydrophobicContact CB-CG2 4.14Å; C706-I710 PolarHBondContact O-N 2.94Å; S707-I710 PolarHBondContact O-N 3.34Å; I710-C712 VanDerWaalsContact C-N 3.31Å; I710-C712 PolarHBondContact O-N 3.38Å; I710-V713 PolarHBondContact O-N 3.14Å; I710-V713 VanDerWaalsContact O-N 3.14Å; I710-I714 HydrophobicContact CG2-CD1 3.58Å; I710-I714 HydrophobicContact CG2-CG1 4.17Å; I710-I714 VanDerWaalsContact O-CG1 3.3Å; I710-I714 WeakPolarHBondContact O-CG1 3.48Å; I710-I714 PolarHBondContact O-N 3.46Å |
| 711 | A | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S529 V532 F533 S707 M708 F709 I714 G715 | S529-A711 PolarHBondContact OG-O 3.14Å; V532-A711 HydrophobicContact CB-CB 4.37Å; V532-A711 HydrophobicContact CG1-CB 4.18Å; F533-A711 HydrophobicContact CB-CB 3.97Å; F533-A711 HydrophobicContact CD2-CB 4.41Å; S707-A711 VanDerWaalsContact O-CB 3.32Å; S707-A711 WeakPolarHBondContact O-CB 3.43Å; S707-A711 PolarHBondContact O-N 3.45Å; M708-A711 PolarHBondContact O-N 3.47Å; F709-A711 VanDerWaalsContact C-N 3.34Å; F709-A711 PolarHBondContact O-N 2.93Å; A711-I714 PolarHBondContact O-N 3.36Å; A711-G715 PolarHBondContact O-N 3.47Å |
| 712 | C | 95.3 | Very high | 92.5 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.4 | -68.8 | 0 | 0 | 0 | 0 | 112.9 | M708 F709 I710 G715 Y716 | M708-C712 PolarHBondContact O-N 3.35Å; M708-C712 VanDerWaalsContact O-N 3.15Å; M708-C712 PolarHBondContact O-SG 2.96Å; M708-C712 VanDerWaalsContact O-SG 3.4Å; F709-C712 PolarHBondContact O-N 3.42Å; I710-C712 VanDerWaalsContact C-N 3.31Å; I710-C712 PolarHBondContact O-N 3.38Å; C712-G715 PolarHBondContact O-N 3.1Å; C712-Y716 VanDerWaalsContact O-CB 3.32Å; C712-Y716 WeakPolarHBondContact O-CB 3.36Å; C712-Y716 PolarHBondContact O-N 3.25Å |
| 713 | V | 94.2 | Very high | 92.8 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111 | L682 F709 I710 Y716 S717 | L682-V713 HydrophobicContact CD1-CG1 4.07Å; F709-V713 HydrophobicContact CD1-CG2 4.48Å; F709-V713 HydrophobicContact CE1-CG2 4.07Å; F709-V713 HydrophobicContact CE2-CG2 4.36Å; F709-V713 HydrophobicContact CZ-CG2 4.01Å; F709-V713 WeakPolarHBondContact O-CG2 3.22Å; F709-V713 PolarHBondContact O-N 3.18Å; F709-V713 VanDerWaalsContact O-N 3.1Å; I710-V713 PolarHBondContact O-N 3.14Å; I710-V713 VanDerWaalsContact O-N 3.14Å; V713-Y716 PolarHBondContact O-N 3.4Å; V713-S717 WeakPolarHBondContact O-CB 3.48Å; V713-S717 PolarHBondContact O-N 3.18Å |
| 714 | I | 92.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.138 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 177.1 | -64.6 | 163.3 | 0 | 0 | 0 | 110.1 | L525 A679 I710 A711 Y716 S717 A718 | L525-I714 HydrophobicContact CB-CG2 4.3Å; L525-I714 HydrophobicContact CD2-CG2 4.19Å; A679-I714 HydrophobicContact CB-CD1 3.62Å; A679-I714 HydrophobicContact CB-CG1 3.63Å; A679-I714 HydrophobicContact CB-CG2 4.13Å; I710-I714 HydrophobicContact CG2-CD1 3.58Å; I710-I714 HydrophobicContact CG2-CG1 4.17Å; I710-I714 VanDerWaalsContact O-CG1 3.3Å; I710-I714 WeakPolarHBondContact O-CG1 3.48Å; I710-I714 PolarHBondContact O-N 3.46Å; A711-I714 PolarHBondContact O-N 3.36Å; I714-Y716 PolarHBondContact O-N 3.15Å; I714-S717 PolarHBondContact O-N 3.17Å; I714-A718 WeakPolarHBondContact O-CB 3.35Å; I714-A718 PolarHBondContact O-N 2.93Å |
| 715 | G | 93.6 | Very high | 92.9 | Very high | 11 Ų | 11 | 52 Ų | 52 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | A711 C712 S717 A718 M719 | A711-G715 PolarHBondContact O-N 3.47Å; C712-G715 PolarHBondContact O-N 3.1Å; G715-S717 VanDerWaalsContact C-N 3.31Å; G715-S717 PolarHBondContact O-N 3.42Å; G715-A718 PolarHBondContact O-N 3.15Å; G715-M719 WeakPolarHBondContact O-CG 3.36Å; G715-M719 PolarHBondContact O-N 3.34Å |
| 716 | Y | 95.3 | Very high | 93 | Very high | 193 Ų | 193 | 51.1 Ų | 51.1 | 76% | 0.757 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.3 | -40.7 | 176.5 | 179 | -100.6 | 0 | 0 | 0 | 112.1 | C712 V713 I714 P720 | C712-Y716 VanDerWaalsContact O-CB 3.32Å; C712-Y716 WeakPolarHBondContact O-CB 3.36Å; C712-Y716 PolarHBondContact O-N 3.25Å; V713-Y716 PolarHBondContact O-N 3.4Å; I714-Y716 PolarHBondContact O-N 3.15Å; Y716-P720 WeakPolarHBondContact O-CD 3.45Å |
| 717 | S | 90.9 | Very high | 92.9 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.8 | -27.9 | 179.5 | -166.5 | 0 | 0 | 0 | 0 | 113.6 | L675 V713 I714 G715 | L675-S717 WeakPolarHBondContact CD1-O 3.43Å; L675-S717 WeakPolarHBondContact CD2-OG 3.13Å; V713-S717 WeakPolarHBondContact O-CB 3.48Å; V713-S717 PolarHBondContact O-N 3.18Å; I714-S717 PolarHBondContact O-N 3.17Å; G715-S717 VanDerWaalsContact C-N 3.31Å; G715-S717 PolarHBondContact O-N 3.42Å |
| 718 | A | 92.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -78.1 | -28.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L525 L526 I714 G715 L721 L722 | L525-A718 HydrophobicContact CB-CB 4.12Å; L526-A718 HydrophobicContact CD2-CB 4.04Å; L526-A718 HydrophobicContact CG-CB 4.06Å; I714-A718 WeakPolarHBondContact O-CB 3.35Å; I714-A718 PolarHBondContact O-N 2.93Å; G715-A718 PolarHBondContact O-N 3.15Å; A718-L721 PolarHBondContact O-N 3.48Å; A718-L722 PolarHBondContact O-N 2.96Å |
| 719 | M | 94.2 | Very high | 92.6 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.8 | -45.5 | -177.6 | -73.9 | -64.2 | 179.5 | 0 | 0 | 114.2 | L526 G715 L721 L722 N723 | L526-M719 HydrophobicContact CD1-CE 4.34Å; L526-M719 HydrophobicContact CD1-SD 4.27Å; L526-M719 HydrophobicContact CD2-CE 3.62Å; L526-M719 HydrophobicContact CD2-CG 4.46Å; L526-M719 HydrophobicContact CD2-SD 4.16Å; G715-M719 WeakPolarHBondContact O-CG 3.36Å; G715-M719 PolarHBondContact O-N 3.34Å; M719-L721 VanDerWaalsContact C-N 3.34Å; M719-L721 PolarHBondContact O-N 3.47Å; M719-L722 PolarHBondContact O-N 3.45Å; M719-L722 HydrophobicContact SD-CD2 4.45Å; M719-N723 PolarHBondContact O-N 2.66Å |
| 720 | P | 91.5 | Very high | 92.4 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 174.3 | -26.6 | 35 | 0 | 0 | 0 | 112.7 | Y716 L722 N723 D724 | Y716-P720 WeakPolarHBondContact O-CD 3.45Å; P720-L722 PolarHBondContact O-N 3.23Å; P720-N723 PolarHBondContact O-N 2.99Å; P720-D724 WeakPolarHBondContact O-CB 3.38Å; P720-D724 PolarHBondContact O-N 3.4Å |
| 721 | L | 91.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -42.3 | 178.7 | 177.8 | 65.7 | 0 | 0 | 0 | 111.7 | A522 A668 R671 G672 L675 A718 M719 D724 T725 | A522-L721 HydrophobicContact CB-CB 4.39Å; A522-L721 HydrophobicContact CB-CD2 3.9Å; A522-L721 HydrophobicContact CB-CG 3.98Å; A668-L721 HydrophobicContact CB-CD1 4.41Å; A668-L721 WeakPolarHBondContact O-CD1 3.37Å; R671-L721 HydrophobicContact CB-CD1 4.38Å; R671-L721 HydrophobicContact CG-CD1 4.29Å; G672-L721 VanDerWaalsContact CA-CD2 3.43Å; L675-L721 HydrophobicContact CD1-CB 4.38Å; L675-L721 HydrophobicContact CD1-CD2 4.22Å; A718-L721 PolarHBondContact O-N 3.48Å; M719-L721 VanDerWaalsContact C-N 3.34Å; M719-L721 PolarHBondContact O-N 3.47Å; L721-D724 PolarHBondContact O-N 2.9Å; L721-T725 HydrophobicContact CD1-CG2 4.14Å; L721-T725 WeakPolarHBondContact O-CB 3.3Å; L721-T725 WeakPolarHBondContact O-CG2 3.32Å; L721-T725 PolarHBondContact O-N 2.93Å; L721-T725 PolarHBondContact O-OG1 3.44Å |
| 722 | L | 93.9 | Very high | 92 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 175.1 | 175.6 | 61.9 | 0 | 0 | 0 | 111.1 | L519 A522 L523 L526 A718 M719 P720 T725 L726 | L519-L722 HydrophobicContact CD1-CD1 3.38Å; A522-L722 HydrophobicContact CB-CB 4.12Å; L523-L722 HydrophobicContact CD2-CD1 4.02Å; L523-L722 HydrophobicContact CG-CD1 4.34Å; L526-L722 HydrophobicContact CD1-CD2 3.54Å; A718-L722 PolarHBondContact O-N 2.96Å; M719-L722 PolarHBondContact O-N 3.45Å; M719-L722 HydrophobicContact SD-CD2 4.45Å; P720-L722 PolarHBondContact O-N 3.23Å; L722-T725 PolarHBondContact O-OG1 3.2Å; L722-T725 VanDerWaalsContact O-OG1 3.06Å; L722-L726 HydrophobicContact CD1-CD1 3.76Å; L722-L726 HydrophobicContact CD1-CG 4.04Å; L722-L726 HydrophobicContact CG-CD1 3.9Å; L722-L726 WeakPolarHBondContact O-CB 3.11Å; L722-L726 VanDerWaalsContact O-CG 3.26Å; L722-L726 WeakPolarHBondContact O-CG 3.35Å; L722-L726 PolarHBondContact O-N 2.86Å |
| 723 | N | 94 | Very high | 91.6 | Very high | 107 Ų | 107 | 57 Ų | 57 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | -178.9 | -169.4 | 48.1 | 0 | 0 | 0 | 112 | M719 P720 S727 | M719-N723 PolarHBondContact O-N 2.66Å; P720-N723 PolarHBondContact O-N 2.99Å; N723-S727 VanDerWaalsContact O-CB 3.31Å; N723-S727 WeakPolarHBondContact O-CB 3.48Å; N723-S727 PolarHBondContact O-N 3.22Å |
| 724 | D | 90.1 | Very high | 90.9 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 178.2 | -67.1 | -17.3 | 0 | 0 | 0 | 110.5 | R671 P720 L721 S727 L728 | R671-D724 IonicContact CZ-OD2 3.96Å; R671-D724 IonicContact NH1-OD2 3.02Å; R671-D724 PolarHBondContact NH1-OD2 3Å; P720-D724 WeakPolarHBondContact O-CB 3.38Å; P720-D724 PolarHBondContact O-N 3.4Å; L721-D724 PolarHBondContact O-N 2.9Å; D724-S727 PolarHBondContact O-N 3.26Å; D724-S727 PolarHBondContact O-OG 3Å; D724-L728 WeakPolarHBondContact O-CG 3.5Å; D724-L728 PolarHBondContact O-N 2.74Å; D724-L728 VanDerWaalsContact O-N 3.13Å |
| 725 | T | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.3 | -41 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | I515 A668 L721 L722 S727 L728 L729 | I515-T725 HydrophobicContact CG2-CG2 4.24Å; A668-T725 HydrophobicContact CB-CG2 3.91Å; L721-T725 HydrophobicContact CD1-CG2 4.14Å; L721-T725 WeakPolarHBondContact O-CB 3.3Å; L721-T725 WeakPolarHBondContact O-CG2 3.32Å; L721-T725 PolarHBondContact O-N 2.93Å; L721-T725 PolarHBondContact O-OG1 3.44Å; L722-T725 PolarHBondContact O-OG1 3.2Å; L722-T725 VanDerWaalsContact O-OG1 3.06Å; T725-S727 VanDerWaalsContact C-N 3.31Å; T725-S727 PolarHBondContact O-N 3.49Å; T725-L728 PolarHBondContact O-N 2.87Å; T725-L729 WeakPolarHBondContact O-CG 3.41Å; T725-L729 PolarHBondContact O-N 3.45Å |
| 726 | L | 93.4 | Very high | 88.9 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 172.8 | -74.5 | 173.4 | 0 | 0 | 0 | 111.4 | L519 L722 L728 L729 T730 | L519-L726 HydrophobicContact CD1-CD2 3.98Å; L519-L726 HydrophobicContact CD1-CG 4.04Å; L519-L726 HydrophobicContact CD2-CD2 4.43Å; L722-L726 HydrophobicContact CD1-CD1 3.76Å; L722-L726 HydrophobicContact CD1-CG 4.04Å; L722-L726 HydrophobicContact CG-CD1 3.9Å; L722-L726 WeakPolarHBondContact O-CB 3.11Å; L722-L726 VanDerWaalsContact O-CG 3.26Å; L722-L726 WeakPolarHBondContact O-CG 3.35Å; L722-L726 PolarHBondContact O-N 2.86Å; L726-L728 VanDerWaalsContact C-N 3.29Å; L726-L728 PolarHBondContact O-N 3.33Å; L726-L729 PolarHBondContact O-N 2.97Å; L726-T730 WeakPolarHBondContact O-CB 3.38Å; L726-T730 VanDerWaalsContact O-CG2 3.29Å; L726-T730 WeakPolarHBondContact O-CG2 3.35Å; L726-T730 PolarHBondContact O-N 3.13Å; L726-T730 PolarHBondContact O-OG1 3.27Å |
| 727 | S | 90.3 | Very high | 87.6 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 178.8 | 79.9 | 0 | 0 | 0 | 0 | 112.3 | N723 D724 T725 T730 L731 K732 | N723-S727 VanDerWaalsContact O-CB 3.31Å; N723-S727 WeakPolarHBondContact O-CB 3.48Å; N723-S727 PolarHBondContact O-N 3.22Å; D724-S727 PolarHBondContact O-N 3.26Å; D724-S727 PolarHBondContact O-OG 3Å; T725-S727 VanDerWaalsContact C-N 3.31Å; T725-S727 PolarHBondContact O-N 3.49Å; S727-T730 WeakPolarHBondContact CA-OG1 3.31Å; S727-T730 PolarHBondContact O-OG1 2.89Å; S727-L731 PolarHBondContact O-N 3.28Å; S727-K732 VanDerWaalsContact O-CB 3.23Å; S727-K732 WeakPolarHBondContact O-CB 3.39Å; S727-K732 PolarHBondContact O-N 3.46Å |
| 728 | L | 88.5 | Confident | 86.2 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.4 | -45.1 | 176.1 | -70.7 | 168.8 | 0 | 0 | 0 | 112.1 | I515 D724 T725 L726 T730 L731 T762 H765 | I515-L728 HydrophobicContact CD1-CB 4.1Å; I515-L728 HydrophobicContact CD1-CD1 4.14Å; I515-L728 HydrophobicContact CG1-CD1 4.23Å; I515-L728 HydrophobicContact CG2-CB 3.81Å; I515-L728 HydrophobicContact CG2-CD1 4Å; D724-L728 WeakPolarHBondContact O-CG 3.5Å; D724-L728 PolarHBondContact O-N 2.74Å; D724-L728 VanDerWaalsContact O-N 3.13Å; T725-L728 PolarHBondContact O-N 2.87Å; L726-L728 VanDerWaalsContact C-N 3.29Å; L726-L728 PolarHBondContact O-N 3.33Å; L728-T730 VanDerWaalsContact C-N 3.3Å; L728-T730 PolarHBondContact O-N 2.97Å; L728-L731 PolarHBondContact O-N 2.69Å; L728-L731 VanDerWaalsContact O-N 3.09Å; L728-T762 HydrophobicContact CD2-CG2 3.47Å; L728-T762 VanDerWaalsContact CD2-CG2 3.47Å; L728-H765 WeakPolarHBondContact CD1-NE2 3.36Å |
| 729 | L | 90.1 | Very high | 84.8 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.1 | -28.7 | 179.5 | -68.8 | 171 | 0 | 0 | 0 | 112.8 | I515 L519 T725 L726 L731 | I515-L729 HydrophobicContact CB-CD2 4.48Å; I515-L729 HydrophobicContact CG2-CD1 4.38Å; I515-L729 HydrophobicContact CG2-CD2 4.09Å; I515-L729 HydrophobicContact CG2-CG 3.84Å; L519-L729 HydrophobicContact CB-CD1 4.3Å; L519-L729 HydrophobicContact CD2-CD1 3.52Å; L519-L729 HydrophobicContact CG-CD1 4.48Å; T725-L729 WeakPolarHBondContact O-CG 3.41Å; T725-L729 PolarHBondContact O-N 3.45Å; L726-L729 PolarHBondContact O-N 2.97Å; L729-L731 VanDerWaalsContact C-N 3.25Å |
| 730 | T | 91.3 | Very high | 83.8 | Confident | 100 Ų | 100 | 62 Ų | 62 | 61% | 0.613 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4 | 172.4 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | L726 S727 L728 K732 | L726-T730 WeakPolarHBondContact O-CB 3.38Å; L726-T730 VanDerWaalsContact O-CG2 3.29Å; L726-T730 WeakPolarHBondContact O-CG2 3.35Å; L726-T730 PolarHBondContact O-N 3.13Å; L726-T730 PolarHBondContact O-OG1 3.27Å; S727-T730 WeakPolarHBondContact CA-OG1 3.31Å; S727-T730 PolarHBondContact O-OG1 2.89Å; L728-T730 VanDerWaalsContact C-N 3.3Å; L728-T730 PolarHBondContact O-N 2.97Å; T730-K732 VanDerWaalsContact C-N 3.34Å; T730-K732 PolarHBondContact O-N 3.17Å |
| 731 | L | 89.3 | Confident | 83.4 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 37.1 | 176.1 | -55.5 | 177.7 | 0 | 0 | 0 | 113.3 | S727 L728 L729 W761 | S727-L731 PolarHBondContact O-N 3.28Å; L728-L731 PolarHBondContact O-N 2.69Å; L728-L731 VanDerWaalsContact O-N 3.09Å; L729-L731 VanDerWaalsContact C-N 3.25Å; L731-W761 HydrophobicContact CB-CB 3.91Å; L731-W761 HydrophobicContact CB-CG 4.41Å; L731-W761 WeakPolarHBondContact O-CB 3.45Å |
| 732 | K | 88.6 | Confident | 83.2 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -59 | 142.7 | 178.8 | -167.1 | -170.2 | 172.8 | -156.1 | 0 | 111.4 | S727 T730 D735 T762 | S727-K732 VanDerWaalsContact O-CB 3.23Å; S727-K732 WeakPolarHBondContact O-CB 3.39Å; S727-K732 PolarHBondContact O-N 3.46Å; T730-K732 VanDerWaalsContact C-N 3.34Å; T730-K732 PolarHBondContact O-N 3.17Å; K732-D735 IonicContact NZ-OD1 3.71Å; K732-D735 PolarHBondContact NZ-OD1 3Å; K732-T762 WeakPolarHBondContact O-CB 3.45Å; K732-T762 PolarHBondContact O-N 3.28Å; K732-T762 PolarHBondContact O-OG1 2.78Å |
| 733 | V | 86.8 | Confident | 82.9 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 33% | 0.333 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 137.8 | 171.8 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | F737 I760 | V733-F737 HydrophobicContact CG1-CB 3.84Å; V733-I760 HydrophobicContact CG1-CB 4.42Å; V733-I760 HydrophobicContact CG1-CG2 4.26Å; V733-I760 WeakPolarHBondContact CG2-O 3.4Å |
| 734 | P | 79.9 | Confident | 82.7 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 13% | 0.13 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 144.7 | 176.3 | -5 | 16.7 | 0 | 0 | 0 | 111.1 | E736 F737 T762 V768 | P734-E736 PolarHBondContact O-N 3.3Å; P734-E736 VanDerWaalsContact O-N 3.12Å; P734-F737 HydrophobicContact CB-CD2 3.88Å; P734-F737 HydrophobicContact CB-CE2 4.38Å; P734-F737 HydrophobicContact CG-CD2 3.53Å; P734-F737 HydrophobicContact CG-CE2 3.84Å; P734-F737 PolarHBondContact O-N 2.85Å; P734-T762 WeakPolarHBondContact CD-OG1 3.47Å; P734-T762 WeakPolarHBondContact CG-OG1 3.45Å; P734-V768 HydrophobicContact CG-CB 4.41Å; P734-V768 HydrophobicContact CG-CG1 3.85Å; P734-V768 HydrophobicContact CG-CG2 3.61Å |
| 735 | D | 74.2 | Confident | 82.7 | Confident | 133 Ų | 133 | 59.5 Ų | 59.5 | 71% | 0.711 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.6 | -177.5 | -61.7 | -33 | 0 | 0 | 0 | 112.9 | K732 F737 | K732-D735 IonicContact NZ-OD1 3.71Å; K732-D735 PolarHBondContact NZ-OD1 3Å; D735-F737 PolarHBondContact O-N 3.23Å |
| 736 | E | 68.8 | Low | 82.6 | Confident | 134 Ų | 134 | 59.5 Ų | 59.5 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.9 | 172.2 | -62.5 | -175.5 | 162.8 | 0 | 0 | 112.8 | P734 H738 S799 | P734-E736 PolarHBondContact O-N 3.3Å; P734-E736 VanDerWaalsContact O-N 3.12Å; E736-H738 PolarHBondContact O-N 3.24Å; E736-S799 PolarHBondContact OE2-OG 3.4Å |
| 737 | F | 67.2 | Low | 82.6 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | trans | -89.8 | 88 | 178.4 | -66.4 | -98.5 | 0 | 0 | 0 | 108.4 | V733 P734 D735 S739 M742 I760 V768 F797 V800 | V733-F737 HydrophobicContact CG1-CB 3.84Å; P734-F737 HydrophobicContact CB-CD2 3.88Å; P734-F737 HydrophobicContact CB-CE2 4.38Å; P734-F737 HydrophobicContact CG-CD2 3.53Å; P734-F737 HydrophobicContact CG-CE2 3.84Å; P734-F737 PolarHBondContact O-N 2.85Å; D735-F737 PolarHBondContact O-N 3.23Å; F737-S739 VanDerWaalsContact C-N 3.29Å; F737-S739 PolarHBondContact O-N 3.38Å; F737-M742 HydrophobicContact CD1-SD 4.46Å; F737-M742 HydrophobicContact CE1-SD 4.21Å; F737-I760 HydrophobicContact CB-CD1 4.38Å; F737-I760 HydrophobicContact CD1-CD1 3.8Å; F737-I760 HydrophobicContact CD1-CG2 4.26Å; F737-I760 HydrophobicContact CD2-CG2 4.37Å; F737-I760 HydrophobicContact CE1-CD1 4.46Å; F737-I760 HydrophobicContact CE1-CG2 4.5Å; F737-I760 HydrophobicContact CG-CD1 4.32Å; F737-I760 HydrophobicContact CG-CG2 4.17Å; F737-V768 HydrophobicContact CE2-CG1 3.94Å; F737-V768 HydrophobicContact CE2-CG2 4.38Å; F737-V768 HydrophobicContact CZ-CG1 4.15Å; F737-F797 AromaticContact CD1-CD1 3.79Å; F737-F797 HydrophobicContact CD1-CD1 3.79Å; F737-F797 AromaticContact CD1-CE1 3.74Å; F737-F797 HydrophobicContact CD1-CE1 3.74Å; F737-F797 HydrophobicContact CD1-CG 4.38Å; F737-F797 HydrophobicContact CD1-CZ 4.3Å; F737-F797 HydrophobicContact CE1-CB 3.95Å; F737-F797 AromaticContact CE1-CD1 3.31Å; F737-F797 HydrophobicContact CE1-CD1 3.31Å; F737-F797 HydrophobicContact CE1-CD2 4.09Å; F737-F797 AromaticContact CE1-CE1 3.72Å; F737-F797 HydrophobicContact CE1-CE1 3.72Å; F737-F797 HydrophobicContact CE1-CE2 4.44Å; F737-F797 AromaticContact CE1-CG 3.52Å; F737-F797 HydrophobicContact CE1-CG 3.52Å; F737-F797 HydrophobicContact CE1-CZ 4.27Å; F737-F797 HydrophobicContact CE2-CD1 4.28Å; F737-F797 HydrophobicContact CG-CD1 4.47Å; F737-F797 HydrophobicContact CG-CE1 4.45Å; F737-F797 HydrophobicContact CZ-CB 3.72Å; F737-F797 AromaticContact CZ-CD1 3.6Å; F737-F797 HydrophobicContact CZ-CD1 3.6Å; F737-F797 HydrophobicContact CZ-CE1 4.39Å; F737-F797 AromaticContact CZ-CG 3.78Å; F737-F797 HydrophobicContact CZ-CG 3.78Å; F737-V800 HydrophobicContact CE1-CG2 4.35Å; F737-V800 HydrophobicContact CZ-CG2 3.73Å | ||
| 738 | H | 62.2 | Low | 82.6 | Confident | 146 Ų | 146 | 60.2 Ų | 60.2 | 68% | 0.676 | 31% | 0.308 | S | S | * | . | trans | -54.5 | 105.9 | 149.9 | -89.4 | 72 | 0 | 0 | 0 | 105.7 | E736 Q740 L741 | E736-H738 PolarHBondContact O-N 3.24Å; H738-Q740 PolarHBondContact O-N 2.69Å; H738-L741 HydrophobicContact CB-CB 4.25Å; H738-L741 WeakPolarHBondContact O-CB 3.26Å; H738-L741 PolarHBondContact O-N 2.88Å | ||
| 739 | S | 62.8 | Low | 82.7 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 47% | 0.469 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -48.1 | -24 | -164.8 | 57 | 0 | 0 | 0 | 0 | 114.6 | F737 | F737-S739 VanDerWaalsContact C-N 3.29Å; F737-S739 PolarHBondContact O-N 3.38Å |
| 740 | Q | 74.4 | Confident | 82.6 | Confident | 29 Ų | 29 | 62 Ų | 62 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -92.4 | -20.3 | -178.6 | -56.6 | 179.9 | 1 | 0 | 0 | 114.7 | H738 V743 K744 F833 | H738-Q740 PolarHBondContact O-N 2.69Å; Q740-V743 PolarHBondContact O-N 3.43Å; Q740-K744 WeakPolarHBondContact O-CB 3.47Å; Q740-K744 WeakPolarHBondContact O-CG 3.36Å; Q740-K744 PolarHBondContact O-N 3.45Å; Q740-F833 HydrophobicContact CB-CE1 4.17Å; Q740-F833 HydrophobicContact CB-CZ 4.16Å; Q740-F833 HydrophobicContact CG-CE1 4.46Å; Q740-F833 HydrophobicContact CG-CZ 4.01Å |
| 741 | L | 83.2 | Confident | 82.5 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | -176.3 | -179.3 | 63.3 | 0 | 0 | 0 | 111.8 | H738 K744 K745 | H738-L741 HydrophobicContact CB-CB 4.25Å; H738-L741 WeakPolarHBondContact O-CB 3.26Å; H738-L741 PolarHBondContact O-N 2.88Å; L741-K744 PolarHBondContact O-N 3.33Å; L741-K745 PolarHBondContact O-N 2.92Å |
| 742 | M | 86 | Confident | 82.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 176.2 | -174.3 | -175.4 | 80.2 | 0 | 0 | 110.6 | F737 K744 K745 I746 P758 I760 V770 I793 F797 | F737-M742 HydrophobicContact CD1-SD 4.46Å; F737-M742 HydrophobicContact CE1-SD 4.21Å; M742-K744 PolarHBondContact O-N 2.98Å; M742-K745 PolarHBondContact O-N 2.88Å; M742-I746 HydrophobicContact CE-CD1 4.31Å; M742-I746 HydrophobicContact CG-CD1 4Å; M742-I746 WeakPolarHBondContact O-CG1 3.35Å; M742-I746 PolarHBondContact O-N 2.94Å; M742-P758 HydrophobicContact CE-CB 4.38Å; M742-I760 HydrophobicContact CE-CD1 3.54Å; M742-I760 HydrophobicContact CE-CG1 3.84Å; M742-I760 HydrophobicContact SD-CD1 3.9Å; M742-I760 HydrophobicContact SD-CG1 4.42Å; M742-V770 HydrophobicContact CE-CG1 3.74Å; M742-V770 HydrophobicContact SD-CG1 3.82Å; M742-V770 HydrophobicContact SD-CG2 4.48Å; M742-I793 HydrophobicContact SD-CD1 4.47Å; M742-F797 HydrophobicContact CB-CE2 3.9Å; M742-F797 HydrophobicContact CB-CZ 3.86Å; M742-F797 HydrophobicContact CG-CD2 4.5Å; M742-F797 HydrophobicContact CG-CE2 3.84Å; M742-F797 HydrophobicContact CG-CZ 4.31Å |
| 743 | V | 89 | Confident | 82.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | Q740 K745 I746 L747 V755 P758 Y829 F833 | Q740-V743 PolarHBondContact O-N 3.43Å; V743-K745 VanDerWaalsContact C-N 3.34Å; V743-K745 PolarHBondContact O-N 3.33Å; V743-I746 PolarHBondContact O-N 2.85Å; V743-L747 HydrophobicContact CG1-CD1 3.98Å; V743-L747 HydrophobicContact CG1-CG 4.4Å; V743-L747 WeakPolarHBondContact O-CG 3.47Å; V743-L747 PolarHBondContact O-N 3.38Å; V743-V755 HydrophobicContact CG1-CB 4.23Å; V743-V755 HydrophobicContact CG1-CG1 4.35Å; V743-P758 HydrophobicContact CG2-CB 3.85Å; V743-P758 HydrophobicContact CG2-CG 3.84Å; V743-Y829 HydrophobicContact CG1-CD1 4.16Å; V743-Y829 HydrophobicContact CG1-CD2 3.94Å; V743-Y829 HydrophobicContact CG1-CG 3.64Å; V743-Y829 HydrophobicContact CG2-CD2 4.49Å; V743-F833 HydrophobicContact CG1-CD1 4.26Å; V743-F833 HydrophobicContact CG1-CE1 4.36Å |
| 744 | K | 88.8 | Confident | 82.8 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 23% | 0.226 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -42 | 177.3 | -76.2 | -177.4 | 175.9 | -170.1 | 0 | 112.4 | Q740 L741 M742 L747 Q748 F833 S836 | Q740-K744 WeakPolarHBondContact O-CB 3.47Å; Q740-K744 WeakPolarHBondContact O-CG 3.36Å; Q740-K744 PolarHBondContact O-N 3.45Å; L741-K744 PolarHBondContact O-N 3.33Å; M742-K744 PolarHBondContact O-N 2.98Å; K744-L747 PolarHBondContact O-N 2.8Å; K744-Q748 WeakPolarHBondContact O-CG 3.34Å; K744-Q748 PolarHBondContact O-N 2.91Å; K744-Q748 VanDerWaalsContact O-N 3.14Å; K744-F833 HydrophobicContact CG-CD1 4.17Å; K744-F833 HydrophobicContact CG-CE1 4.05Å; K744-S836 PolarHBondContact NZ-O 3.49Å |
| 745 | K | 89.2 | Confident | 83.3 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 21% | 0.213 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68 | -36.9 | 177.1 | -73 | -178 | 171.5 | -79 | 0 | 113 | L741 M742 V743 Q748 L792 H796 | L741-K745 PolarHBondContact O-N 2.92Å; M742-K745 PolarHBondContact O-N 2.88Å; V743-K745 VanDerWaalsContact C-N 3.34Å; V743-K745 PolarHBondContact O-N 3.33Å; K745-Q748 WeakPolarHBondContact O-CB 3.43Å; K745-Q748 PolarHBondContact O-N 3.25Å; K745-L792 HydrophobicContact CB-CD1 4.46Å; K745-L792 HydrophobicContact CB-CD2 3.94Å; K745-L792 HydrophobicContact CD-CD2 4.47Å; K745-H796 VanDerWaalsContact CE-CD2 3.43Å; K745-H796 WeakPolarHBondContact CE-CD2 3.46Å; K745-H796 PolarHBondContact NZ-CD2 2.93Å; K745-H796 PolarHBondContact NZ-NE2 2.96Å |
| 746 | I | 90.8 | Very high | 84 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 175.8 | -63 | 167.6 | 0 | 0 | 0 | 110.3 | M742 V743 Q748 V749 V755 V772 V774 I789 I793 | M742-I746 HydrophobicContact CE-CD1 4.31Å; M742-I746 HydrophobicContact CG-CD1 4Å; M742-I746 WeakPolarHBondContact O-CG1 3.35Å; M742-I746 PolarHBondContact O-N 2.94Å; V743-I746 PolarHBondContact O-N 2.85Å; I746-Q748 VanDerWaalsContact C-N 3.25Å; I746-Q748 PolarHBondContact O-N 2.82Å; I746-V749 WeakPolarHBondContact O-CB 3.29Å; I746-V749 WeakPolarHBondContact O-CG2 3.32Å; I746-V749 PolarHBondContact O-N 3.41Å; I746-V749 VanDerWaalsContact O-N 3.09Å; I746-V755 HydrophobicContact CB-CG2 4.12Å; I746-V755 HydrophobicContact CG2-CG2 3.6Å; I746-V772 HydrophobicContact CD1-CG2 4.37Å; I746-V774 HydrophobicContact CG2-CG1 4.31Å; I746-V774 HydrophobicContact CG2-CG2 4.03Å; I746-I789 HydrophobicContact CD1-CG2 4.46Å; I746-I789 HydrophobicContact CG1-CG2 4.15Å; I746-I789 HydrophobicContact CG2-CD1 4.28Å; I746-I789 HydrophobicContact CG2-CG2 4.31Å; I746-I793 HydrophobicContact CD1-CD1 3.99Å; I746-I793 HydrophobicContact CG1-CD1 4.44Å |
| 747 | L | 92.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -25.8 | 177.6 | -69.7 | 173.1 | 0 | 0 | 0 | 113.5 | V743 K744 V749 V752 V755 K831 F833 I834 | V743-L747 HydrophobicContact CG1-CD1 3.98Å; V743-L747 HydrophobicContact CG1-CG 4.4Å; V743-L747 WeakPolarHBondContact O-CG 3.47Å; V743-L747 PolarHBondContact O-N 3.38Å; K744-L747 PolarHBondContact O-N 2.8Å; L747-V749 PolarHBondContact O-N 3.37Å; L747-V752 HydrophobicContact CD2-CG1 4.18Å; L747-V755 HydrophobicContact CD2-CB 4.35Å; L747-V755 HydrophobicContact CD2-CG2 3.78Å; L747-V755 HydrophobicContact CG-CG2 4.08Å; L747-K831 WeakPolarHBondContact O-CE 3.47Å; L747-F833 HydrophobicContact CD1-CB 3.98Å; L747-F833 HydrophobicContact CD1-CD1 4.08Å; L747-I834 HydrophobicContact CB-CD1 3.78Å; L747-I834 HydrophobicContact CB-CG1 3.61Å; L747-I834 HydrophobicContact CD1-CG1 4.25Å; L747-I834 WeakPolarHBondContact O-CD1 3.23Å |
| 748 | Q | 91.7 | Very high | 85.9 | Confident | 119 Ų | 119 | 40.5 Ų | 40.5 | 56% | 0.556 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.3 | 173.7 | -76.8 | 172.8 | -9.8 | 0 | 0 | 113.2 | K744 K745 I746 D750 I834 | K744-Q748 WeakPolarHBondContact O-CG 3.34Å; K744-Q748 PolarHBondContact O-N 2.91Å; K744-Q748 VanDerWaalsContact O-N 3.14Å; K745-Q748 WeakPolarHBondContact O-CB 3.43Å; K745-Q748 PolarHBondContact O-N 3.25Å; I746-Q748 VanDerWaalsContact C-N 3.25Å; I746-Q748 PolarHBondContact O-N 2.82Å; Q748-D750 PolarHBondContact O-N 3.03Å; Q748-I834 HydrophobicContact CG-CD1 4.38Å |
| 749 | V | 90.4 | Very high | 87.2 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -70 | 130.7 | 175 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | I746 L747 V752 L785 K788 I789 L792 K831 | I746-V749 WeakPolarHBondContact O-CB 3.29Å; I746-V749 WeakPolarHBondContact O-CG2 3.32Å; I746-V749 PolarHBondContact O-N 3.41Å; I746-V749 VanDerWaalsContact O-N 3.09Å; L747-V749 PolarHBondContact O-N 3.37Å; V749-V752 HydrophobicContact CB-CG2 3.9Å; V749-V752 HydrophobicContact CG1-CG2 4.3Å; V749-V752 WeakPolarHBondContact O-CB 3.44Å; V749-V752 PolarHBondContact O-N 2.99Å; V749-L785 HydrophobicContact CB-CD1 4.34Å; V749-L785 HydrophobicContact CG1-CD1 3.33Å; V749-K788 HydrophobicContact CG1-CD 3.7Å; V749-K788 HydrophobicContact CG1-CG 4.21Å; V749-I789 HydrophobicContact CG2-CG1 4.44Å; V749-L792 HydrophobicContact CG2-CD1 3.62Å; V749-K831 PolarHBondContact O-NZ 3.45Å |
| 750 | D | 87.9 | Confident | 88.4 | Confident | 108 Ų | 108 | 35 Ų | 35 | 58% | 0.578 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 150.4 | 174.7 | -52 | -55.2 | 0 | 0 | 0 | 110.6 | Q748 V752 K788 | Q748-D750 PolarHBondContact O-N 3.03Å; D750-V752 PolarHBondContact O-N 2.92Å; D750-K788 IonicContact OD2-NZ 2.95Å |
| 751 | E | 89.1 | Confident | 89.1 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | -12.7 | -177.6 | -48.5 | 175.3 | 158.6 | 0 | 0 | 116.4 | I776 Q777 A780 L785 | E751-I776 WeakPolarHBondContact O-CA 3.39Å; E751-Q777 PolarHBondContact O-N 3.48Å; E751-A780 HydrophobicContact CB-CB 3.78Å; E751-A780 HydrophobicContact CG-CB 4.17Å; E751-A780 WeakPolarHBondContact OE2-CB 3.45Å; E751-L785 HydrophobicContact CB-CD2 4.37Å |
| 752 | V | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | L747 V749 D750 V755 V774 L785 I789 K831 | L747-V752 HydrophobicContact CD2-CG1 4.18Å; V749-V752 HydrophobicContact CB-CG2 3.9Å; V749-V752 HydrophobicContact CG1-CG2 4.3Å; V749-V752 WeakPolarHBondContact O-CB 3.44Å; V749-V752 PolarHBondContact O-N 2.99Å; D750-V752 PolarHBondContact O-N 2.92Å; V752-V755 HydrophobicContact CG1-CG2 4.43Å; V752-V774 HydrophobicContact CB-CG1 4.42Å; V752-V774 HydrophobicContact CG1-CG1 3.69Å; V752-V774 HydrophobicContact CG2-CG1 3.93Å; V752-L785 HydrophobicContact CG2-CD1 3.97Å; V752-L785 HydrophobicContact CG2-CD2 3.97Å; V752-L785 HydrophobicContact CG2-CG 4.36Å; V752-I789 HydrophobicContact CG2-CD1 4.27Å; V752-K831 WeakPolarHBondContact O-CD 3.48Å; V752-K831 PolarHBondContact O-NZ 3.06Å |
| 753 | V | 89.9 | Confident | 89 | Confident | 59 Ų | 59 | 34.7 Ų | 34.7 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -47.2 | -178.7 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | R775 Q777 K831 | V753-R775 HydrophobicContact CB-CB 4.43Å; V753-R775 HydrophobicContact CB-CG 4.24Å; V753-R775 PolarHBondContact N-O 2.84Å; V753-Q777 HydrophobicContact CG2-CG 3.66Å; V753-K831 WeakPolarHBondContact O-CB 3.41Å; V753-K831 PolarHBondContact O-N 3.38Å |
| 754 | S | 89 | Confident | 88.5 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 160.8 | 179.5 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | R775 H828 Y829 | S754-R775 PolarHBondContact N-O 2.96Å; S754-R775 PolarHBondContact O-N 2.97Å; S754-R775 VanDerWaalsContact OG-CB 3.31Å; S754-R775 WeakPolarHBondContact OG-CB 3.21Å; S754-H828 PolarHBondContact OG-CE1 2.82Å; S754-Y829 CarbonylContact C-O 3.56Å; S754-Y829 VanDerWaalsContact CA-O 3.28Å; S754-Y829 WeakPolarHBondContact CA-O 3.37Å; S754-Y829 WeakPolarHBondContact CB-O 3.39Å |
| 755 | V | 90.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.9 | 173.2 | 173.8 | 0 | 0 | 0 | 0 | 108.2 | V743 I746 L747 V752 V772 T773 V774 Y829 | V743-V755 HydrophobicContact CG1-CB 4.23Å; V743-V755 HydrophobicContact CG1-CG1 4.35Å; I746-V755 HydrophobicContact CB-CG2 4.12Å; I746-V755 HydrophobicContact CG2-CG2 3.6Å; L747-V755 HydrophobicContact CD2-CB 4.35Å; L747-V755 HydrophobicContact CD2-CG2 3.78Å; L747-V755 HydrophobicContact CG-CG2 4.08Å; V752-V755 HydrophobicContact CG1-CG2 4.43Å; V755-V772 HydrophobicContact CG1-CG2 3.37Å; V755-T773 CarbonylContact C-O 3.44Å; V755-T773 WeakPolarHBondContact CA-O 3.33Å; V755-V774 HydrophobicContact CG2-CG2 4.48Å; V755-Y829 PolarHBondContact N-O 3.41Å; V755-Y829 WeakPolarHBondContact O-CB 3.12Å; V755-Y829 PolarHBondContact O-N 3.5Å |
| 756 | S | 88.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 148.1 | 177.5 | -62 | 0 | 0 | 0 | 0 | 110.2 | T773 G827 H828 | S756-T773 PolarHBondContact N-O 3.43Å; S756-T773 WeakPolarHBondContact O-CB 3.39Å; S756-T773 PolarHBondContact O-N 3.14Å; S756-T773 VanDerWaalsContact O-O 3.14Å; S756-G827 CarbonylContact C-O 3.48Å; S756-G827 VanDerWaalsContact CA-O 3.26Å; S756-G827 WeakPolarHBondContact CA-O 3.34Å; S756-H828 PolarHBondContact OG-ND1 3.43Å |
| 757 | N | 88 | Confident | 86.2 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 57.4 | 171.8 | -66.2 | -19.3 | 0 | 0 | 0 | 114.8 | F759 C771 S824 I826 G827 | N757-F759 HydrophobicContact CB-CD2 4.24Å; N757-F759 HydrophobicContact CB-CE2 3.63Å; N757-F759 HydrophobicContact CB-CZ 3.86Å; N757-F759 PolarHBondContact O-N 3.45Å; N757-C771 VanDerWaalsContact O-O 3.08Å; N757-S824 PolarHBondContact ND2-O 3.31Å; N757-I826 PolarHBondContact OD1-N 3.14Å; N757-G827 PolarHBondContact N-O 2.86Å; N757-G827 PolarHBondContact OD1-N 3.4Å |
| 758 | P | 87.7 | Confident | 86 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 88.7 | 174.4 | 32.4 | -33.9 | 0 | 0 | 0 | 110.1 | M742 V743 V772 Y829 | M742-P758 HydrophobicContact CE-CB 4.38Å; V743-P758 HydrophobicContact CG2-CB 3.85Å; V743-P758 HydrophobicContact CG2-CG 3.84Å; P758-V772 HydrophobicContact CB-CG2 4.41Å; P758-Y829 HydrophobicContact CG-CD2 4.1Å; P758-Y829 HydrophobicContact CG-CE2 3.54Å |
| 759 | F | 89.6 | Confident | 85.9 | Confident | 84 Ų | 84 | 33.1 Ų | 33.1 | 37% | 0.368 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 118 | 173.7 | -58.3 | -57.5 | 0 | 0 | 0 | 109.4 | N757 W761 V770 C771 I826 | N757-F759 HydrophobicContact CB-CD2 4.24Å; N757-F759 HydrophobicContact CB-CE2 3.63Å; N757-F759 HydrophobicContact CB-CZ 3.86Å; N757-F759 PolarHBondContact O-N 3.45Å; F759-W761 HydrophobicContact CB-CE3 3.93Å; F759-W761 HydrophobicContact CB-CZ3 3.6Å; F759-V770 WeakPolarHBondContact O-CA 3.37Å; F759-C771 HydrophobicContact CB-CB 4.29Å; F759-C771 PolarHBondContact N-O 3.2Å; F759-C771 PolarHBondContact O-N 3Å; F759-I826 HydrophobicContact CE1-CB 4.43Å; F759-I826 HydrophobicContact CE1-CD1 3.95Å; F759-I826 HydrophobicContact CZ-CB 4.47Å; F759-I826 HydrophobicContact CZ-CD1 3.85Å; F759-I826 HydrophobicContact CZ-CG1 4.39Å |
| 760 | I | 89.3 | Confident | 85.9 | Confident | 14 Ų | 14 | 33 Ų | 33 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.1 | 175.6 | -53.8 | 171.9 | 0 | 0 | 0 | 106.1 | V733 F737 M742 V768 C769 V770 | V733-I760 HydrophobicContact CG1-CB 4.42Å; V733-I760 HydrophobicContact CG1-CG2 4.26Å; V733-I760 WeakPolarHBondContact CG2-O 3.4Å; F737-I760 HydrophobicContact CB-CD1 4.38Å; F737-I760 HydrophobicContact CD1-CD1 3.8Å; F737-I760 HydrophobicContact CD1-CG2 4.26Å; F737-I760 HydrophobicContact CD2-CG2 4.37Å; F737-I760 HydrophobicContact CE1-CD1 4.46Å; F737-I760 HydrophobicContact CE1-CG2 4.5Å; F737-I760 HydrophobicContact CG-CD1 4.32Å; F737-I760 HydrophobicContact CG-CG2 4.17Å; M742-I760 HydrophobicContact CE-CD1 3.54Å; M742-I760 HydrophobicContact CE-CG1 3.84Å; M742-I760 HydrophobicContact SD-CD1 3.9Å; M742-I760 HydrophobicContact SD-CG1 4.42Å; I760-V768 HydrophobicContact CG2-CG1 3.81Å; I760-C769 WeakPolarHBondContact CA-O 3.33Å; I760-V770 HydrophobicContact CG1-CG1 4.44Å; I760-V770 HydrophobicContact CG1-CG2 4.4Å; I760-V770 HydrophobicContact CG2-CG2 4.26Å |
| 761 | W | 89.4 | Confident | 86.1 | Confident | 67 Ų | 67 | 29.6 Ų | 29.6 | 25% | 0.254 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 150.2 | 174.9 | 64.1 | 94.4 | 0 | 0 | 0 | 111.8 | L731 F759 C769 C771 | L731-W761 HydrophobicContact CB-CB 3.91Å; L731-W761 HydrophobicContact CB-CG 4.41Å; L731-W761 WeakPolarHBondContact O-CB 3.45Å; F759-W761 HydrophobicContact CB-CE3 3.93Å; F759-W761 HydrophobicContact CB-CZ3 3.6Å; W761-C769 HydrophobicContact CD2-CB 3.81Å; W761-C769 HydrophobicContact CE3-CB 4.41Å; W761-C769 HydrophobicContact CG-CB 4.24Å; W761-C769 HydrophobicContact CH2-CB 4.13Å; W761-C769 HydrophobicContact CZ2-CB 3.49Å; W761-C769 VanDerWaalsContact CZ2-CB 3.49Å; W761-C769 PolarHBondContact N-O 2.93Å; W761-C769 PolarHBondContact O-N 3.43Å; W761-C771 HydrophobicContact CH2-CB 4.04Å; W761-C771 HydrophobicContact CZ3-CB 3.93Å |
| 762 | T | 86.1 | Confident | 86.2 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 10% | 0.104 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.2 | 174.2 | -46.2 | 0 | 0 | 0 | 0 | 108.6 | L728 K732 P734 T764 | L728-T762 HydrophobicContact CD2-CG2 3.47Å; L728-T762 VanDerWaalsContact CD2-CG2 3.47Å; K732-T762 WeakPolarHBondContact O-CB 3.45Å; K732-T762 PolarHBondContact O-N 3.28Å; K732-T762 PolarHBondContact O-OG1 2.78Å; P734-T762 WeakPolarHBondContact CD-OG1 3.47Å; P734-T762 WeakPolarHBondContact CG-OG1 3.45Å; T762-T764 WeakPolarHBondContact CG2-O 3.32Å |
| 763 | H | 80.8 | Confident | 86.2 | Confident | 23 Ų | 23 | 26.3 Ų | 26.3 | 11% | 0.106 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -38.6 | 175.4 | -178.3 | 58.5 | 0 | 0 | 0 | 111.7 | F508 S767 | F508-H763 WeakPolarHBondContact CB-NE2 3.31Å; H763-S767 WeakPolarHBondContact CB-O 3.34Å; H763-S767 PolarHBondContact N-O 3.33Å |
| 764 | T | 76.8 | Confident | 86.4 | Confident | 10 Ų | 10 | 23.5 Ų | 23.5 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 169.6 | 169.7 | 66.7 | 0 | 0 | 0 | 0 | 108.6 | N511 I515 T762 K766 S767 | N511-T764 HydrophobicContact CB-CG2 3.88Å; I515-T764 HydrophobicContact CD1-CG2 4.46Å; T762-T764 WeakPolarHBondContact CG2-O 3.32Å; T764-K766 PolarHBondContact O-N 3.46Å; T764-S767 PolarHBondContact N-O 3.38Å; T764-S767 PolarHBondContact O-N 3.42Å; T764-S767 WeakPolarHBondContact OG1-CB 3.13Å; T764-S767 PolarHBondContact OG1-N 2.98Å |
| 765 | H | 71.6 | Confident | 86.4 | Confident | 80 Ų | 80 | 25.5 Ų | 25.5 | 37% | 0.37 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -26.8 | 178.4 | -75.7 | -74.6 | 0 | 0 | 0 | 114.6 | L728 | L728-H765 WeakPolarHBondContact CD1-NE2 3.36Š|
| 766 | K | 68.6 | Low | 86.5 | Confident | 73 Ų | 73 | 25.6 Ų | 25.6 | 32% | 0.317 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -11 | 178.3 | -74.2 | -177.2 | 163 | 157.6 | 0 | 115.3 | E664 T764 | E664-K766 HydrophobicContact CB-CD 4Å; E664-K766 HydrophobicContact CB-CG 4.35Å; E664-K766 WeakPolarHBondContact OE1-CE 3.47Å; E664-K766 IonicContact OE1-NZ 3.9Å; E664-K766 PolarHBondContact OE1-NZ 2.83Å; E664-K766 WeakPolarHBondContact OE2-CE 3.3Å; E664-K766 IonicContact OE2-NZ 3.52Å; E664-K766 PolarHBondContact OE2-NZ 2.76Å; T764-K766 PolarHBondContact O-N 3.46Å |
| 767 | S | 80.5 | Confident | 86.6 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 99.6 | -171.2 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | H763 T764 S801 | H763-S767 WeakPolarHBondContact CB-O 3.34Å; H763-S767 PolarHBondContact N-O 3.33Å; T764-S767 PolarHBondContact N-O 3.38Å; T764-S767 PolarHBondContact O-N 3.42Å; T764-S767 WeakPolarHBondContact OG1-CB 3.13Å; T764-S767 PolarHBondContact OG1-N 2.98Å; S767-S801 WeakPolarHBondContact CA-OG 3.31Å; S767-S801 WeakPolarHBondContact CB-OG 3.39Å; S767-S801 PolarHBondContact OG-OG 2.92Å |
| 768 | V | 88 | Confident | 86.5 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.6 | 170.1 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | P734 F737 I760 V770 S799 S801 H802 | P734-V768 HydrophobicContact CG-CB 4.41Å; P734-V768 HydrophobicContact CG-CG1 3.85Å; P734-V768 HydrophobicContact CG-CG2 3.61Å; F737-V768 HydrophobicContact CE2-CG1 3.94Å; F737-V768 HydrophobicContact CE2-CG2 4.38Å; F737-V768 HydrophobicContact CZ-CG1 4.15Å; I760-V768 HydrophobicContact CG2-CG1 3.81Å; V768-V770 HydrophobicContact CG1-CG2 4.27Å; V768-S799 WeakPolarHBondContact CB-O 3.42Å; V768-S799 PolarHBondContact N-O 3.03Å; V768-S801 PolarHBondContact O-N 2.91Å; V768-S801 PolarHBondContact O-OG 3.25Å; V768-H802 PolarHBondContact O-N 3.37Å |
| 769 | C | 89.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.6 | 173.8 | -66.9 | 0 | 0 | 0 | 0 | 109.3 | I760 W761 H802 | I760-C769 WeakPolarHBondContact CA-O 3.33Å; W761-C769 HydrophobicContact CD2-CB 3.81Å; W761-C769 HydrophobicContact CE3-CB 4.41Å; W761-C769 HydrophobicContact CG-CB 4.24Å; W761-C769 HydrophobicContact CH2-CB 4.13Å; W761-C769 HydrophobicContact CZ2-CB 3.49Å; W761-C769 VanDerWaalsContact CZ2-CB 3.49Å; W761-C769 PolarHBondContact N-O 2.93Å; W761-C769 PolarHBondContact O-N 3.43Å; C769-H802 WeakPolarHBondContact CA-O 3.2Å |
| 770 | V | 91.3 | Very high | 86.3 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.1 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | M742 F759 I760 V768 V800 H802 L803 T804 | M742-V770 HydrophobicContact CE-CG1 3.74Å; M742-V770 HydrophobicContact SD-CG1 3.82Å; M742-V770 HydrophobicContact SD-CG2 4.48Å; F759-V770 WeakPolarHBondContact O-CA 3.37Å; I760-V770 HydrophobicContact CG1-CG1 4.44Å; I760-V770 HydrophobicContact CG1-CG2 4.4Å; I760-V770 HydrophobicContact CG2-CG2 4.26Å; V768-V770 HydrophobicContact CG1-CG2 4.27Å; V770-V800 HydrophobicContact CB-CG1 4.33Å; V770-V800 HydrophobicContact CG2-CG1 3.93Å; V770-V800 HydrophobicContact CG2-CG2 3.86Å; V770-H802 PolarHBondContact N-O 2.9Å; V770-L803 HydrophobicContact CB-CD1 3.84Å; V770-L803 HydrophobicContact CG1-CD1 3.73Å; V770-L803 WeakPolarHBondContact O-CA 3.35Å; V770-T804 PolarHBondContact O-N 3.18Å |
| 771 | C | 91.7 | Very high | 86.4 | Confident | 38 Ų | 38 | 33.7 Ų | 33.7 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.9 | 170.7 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | N757 F759 W761 T804 | N757-C771 VanDerWaalsContact O-O 3.08Å; F759-C771 HydrophobicContact CB-CB 4.29Å; F759-C771 PolarHBondContact N-O 3.2Å; F759-C771 PolarHBondContact O-N 3Å; W761-C771 HydrophobicContact CH2-CB 4.04Å; W761-C771 HydrophobicContact CZ3-CB 3.93Å; C771-T804 WeakPolarHBondContact CA-O 3.32Å |
| 772 | V | 92 | Very high | 86.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 140.2 | -177.4 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | I746 V755 P758 V774 T804 I805 Q806 | I746-V772 HydrophobicContact CD1-CG2 4.37Å; V755-V772 HydrophobicContact CG1-CG2 3.37Å; P758-V772 HydrophobicContact CB-CG2 4.41Å; V772-V774 HydrophobicContact CG1-CG2 4.31Å; V772-V774 HydrophobicContact CG2-CG2 4.14Å; V772-T804 PolarHBondContact N-O 3.13Å; V772-I805 HydrophobicContact CG1-CB 4.36Å; V772-I805 HydrophobicContact CG1-CG1 3.82Å; V772-I805 HydrophobicContact CG1-CG2 4.33Å; V772-I805 VanDerWaalsContact O-CA 3.32Å; V772-I805 WeakPolarHBondContact O-CA 3.47Å; V772-Q806 PolarHBondContact O-N 3.31Å |
| 773 | T | 91.4 | Very high | 86.7 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.4 | 171.5 | -57.7 | 0 | 0 | 0 | 0 | 109 | V755 S756 Q806 E808 | V755-T773 CarbonylContact C-O 3.44Å; V755-T773 WeakPolarHBondContact CA-O 3.33Å; S756-T773 PolarHBondContact N-O 3.43Å; S756-T773 WeakPolarHBondContact O-CB 3.39Å; S756-T773 PolarHBondContact O-N 3.14Å; S756-T773 VanDerWaalsContact O-O 3.14Å; T773-Q806 CarbonylContact C-O 3.37Å; T773-Q806 WeakPolarHBondContact CA-O 3.41Å; T773-Q806 HydrophobicContact CG2-CB 4.33Å; T773-Q806 HydrophobicContact CG2-CG 4.26Å; T773-E808 HydrophobicContact CG2-CG 3.78Å; T773-E808 WeakPolarHBondContact CG2-OE1 3.32Å; T773-E808 WeakPolarHBondContact CG2-OE2 3.44Å |
| 774 | V | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.5 | -176.5 | -176.1 | 0 | 0 | 0 | 0 | 109 | I746 V752 V755 V772 I776 I789 I805 Q806 I807 E808 | I746-V774 HydrophobicContact CG2-CG1 4.31Å; I746-V774 HydrophobicContact CG2-CG2 4.03Å; V752-V774 HydrophobicContact CB-CG1 4.42Å; V752-V774 HydrophobicContact CG1-CG1 3.69Å; V752-V774 HydrophobicContact CG2-CG1 3.93Å; V755-V774 HydrophobicContact CG2-CG2 4.48Å; V772-V774 HydrophobicContact CG1-CG2 4.31Å; V772-V774 HydrophobicContact CG2-CG2 4.14Å; V774-I776 HydrophobicContact CG1-CG2 4.12Å; V774-I789 HydrophobicContact CB-CD1 4.4Å; V774-I789 HydrophobicContact CG1-CD1 3.9Å; V774-I789 HydrophobicContact CG2-CD1 4.25Å; V774-I805 HydrophobicContact CB-CG2 4.46Å; V774-I805 HydrophobicContact CG2-CG2 3.93Å; V774-Q806 PolarHBondContact N-O 2.85Å; V774-I807 WeakPolarHBondContact O-CA 3.28Å; V774-E808 PolarHBondContact O-N 2.92Å |
| 775 | R | 90.2 | Very high | 87.8 | Confident | 45 Ų | 45 | 45 Ų | 45 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132.7 | 174.1 | -170.4 | 172.7 | -65.3 | 163.5 | -4.9 | 110.5 | V753 S754 E808 E813 | V753-R775 HydrophobicContact CB-CB 4.43Å; V753-R775 HydrophobicContact CB-CG 4.24Å; V753-R775 PolarHBondContact N-O 2.84Å; S754-R775 PolarHBondContact N-O 2.96Å; S754-R775 PolarHBondContact O-N 2.97Å; S754-R775 VanDerWaalsContact OG-CB 3.31Å; S754-R775 WeakPolarHBondContact OG-CB 3.21Å; R775-E808 VanDerWaalsContact CA-O 3.29Å; R775-E808 WeakPolarHBondContact CA-O 3.26Å; R775-E813 IonicContact CZ-OE2 3.61Å; R775-E813 IonicContact NE-OE2 3.27Å; R775-E813 IonicContact NH1-OE2 3.29Å; R775-E813 PolarHBondContact NH1-OE2 3.12Å; R775-E813 IonicContact NH2-OE2 3.21Å; R775-E813 PolarHBondContact NH2-OE2 3.46Å |
| 776 | I | 92.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 158.3 | -174.7 | 74.6 | 165.9 | 0 | 0 | 0 | 109.8 | E751 V774 A780 E782 L785 I807 E808 K809 | E751-I776 WeakPolarHBondContact O-CA 3.39Å; V774-I776 HydrophobicContact CG1-CG2 4.12Å; I776-A780 HydrophobicContact CD1-CB 4.07Å; I776-E782 HydrophobicContact CD1-CB 4.37Å; I776-E782 HydrophobicContact CD1-CG 3.7Å; I776-L785 HydrophobicContact CB-CD2 3.75Å; I776-L785 HydrophobicContact CD1-CD2 4.4Å; I776-L785 HydrophobicContact CG2-CD2 3.25Å; I776-L785 HydrophobicContact CG2-CG 4.25Å; I776-I807 HydrophobicContact CD1-CG2 3.55Å; I776-I807 HydrophobicContact CG1-CG2 3.79Å; I776-I807 HydrophobicContact CG2-CG2 3.92Å; I776-E808 PolarHBondContact N-O 2.75Å; I776-K809 HydrophobicContact CD1-CG 4.35Å; I776-K809 HydrophobicContact CG1-CG 3.85Å |
| 777 | Q | 90.3 | Very high | 90 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | trans | -64.5 | 145.8 | 174.7 | -68.6 | 175.8 | 3.8 | 0 | 0 | 111 | E751 V753 S779 A780 | E751-Q777 PolarHBondContact O-N 3.48Å; V753-Q777 HydrophobicContact CG2-CG 3.66Å; Q777-S779 PolarHBondContact O-N 3.13Å; Q777-S779 VanDerWaalsContact O-N 3.12Å; Q777-A780 HydrophobicContact CB-CB 4.49Å; Q777-A780 VanDerWaalsContact O-CB 3.31Å; Q777-A780 WeakPolarHBondContact O-CB 3.39Å; Q777-A780 PolarHBondContact O-N 3.33Å | ||
| 778 | S | 86.6 | Confident | 90.5 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.9 | 179.8 | -70.5 | 0 | 0 | 0 | 0 | 114 | A780 E811 | S778-A780 VanDerWaalsContact C-N 3.33Å; S778-E811 VanDerWaalsContact CB-OE1 3.25Å; S778-E811 WeakPolarHBondContact CB-OE1 3.47Å; S778-E811 PolarHBondContact OG-OE1 3.18Å |
| 779 | S | 86.6 | Confident | 90.8 | Very high | 104 Ų | 104 | 51.3 Ų | 51.3 | 73% | 0.727 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.7 | 178.7 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | Q777 | Q777-S779 PolarHBondContact O-N 3.13Å; Q777-S779 VanDerWaalsContact O-N 3.12Å |
| 780 | A | 86.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -82.5 | 149.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | E751 I776 Q777 S778 E782 | E751-A780 HydrophobicContact CB-CB 3.78Å; E751-A780 HydrophobicContact CG-CB 4.17Å; E751-A780 WeakPolarHBondContact OE2-CB 3.45Å; I776-A780 HydrophobicContact CD1-CB 4.07Å; Q777-A780 HydrophobicContact CB-CB 4.49Å; Q777-A780 VanDerWaalsContact O-CB 3.31Å; Q777-A780 WeakPolarHBondContact O-CB 3.39Å; Q777-A780 PolarHBondContact O-N 3.33Å; S778-A780 VanDerWaalsContact C-N 3.33Å; A780-E782 PolarHBondContact O-N 2.93Å |
| 781 | S | 89.8 | Confident | 90.9 | Very high | 65 Ų | 65 | 58.7 Ų | 58.7 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | trans | -82.1 | 114.9 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 111 | Q783 V784 L785 | S781-Q783 PolarHBondContact O-N 3.5Å; S781-V784 PolarHBondContact O-N 3.5Å; S781-L785 PolarHBondContact O-N 2.92Å; S781-L785 VanDerWaalsContact O-N 3.15Å | ||
| 782 | E | 90.3 | Very high | 90.9 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.3 | -48 | -178.3 | -65.9 | 164.8 | -148.6 | 0 | 0 | 112.5 | I776 A780 L785 L786 I807 K809 | I776-E782 HydrophobicContact CD1-CB 4.37Å; I776-E782 HydrophobicContact CD1-CG 3.7Å; A780-E782 PolarHBondContact O-N 2.93Å; E782-L785 PolarHBondContact O-N 3.42Å; E782-L786 VanDerWaalsContact O-CB 3.31Å; E782-L786 WeakPolarHBondContact O-CB 3.27Å; E782-L786 PolarHBondContact O-N 3.31Å; E782-I807 HydrophobicContact CB-CD1 4.37Å; E782-I807 HydrophobicContact CB-CG2 4.28Å; E782-I807 HydrophobicContact CG-CG2 3.94Å; E782-I807 WeakPolarHBondContact O-CD1 3.41Å; E782-K809 WeakPolarHBondContact OE1-CE 3.49Å; E782-K809 IonicContact OE1-NZ 2.72Å; E782-K809 PolarHBondContact OE1-NZ 2.77Å |
| 783 | Q | 91.3 | Very high | 90.7 | Very high | 160 Ų | 160 | 58.3 Ų | 58.3 | 75% | 0.748 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -70.5 | -36 | -176 | -70.5 | -146.3 | -8.9 | 0 | 0 | 113.7 | S781 L785 L786 R787 | S781-Q783 PolarHBondContact O-N 3.5Å; Q783-L785 VanDerWaalsContact C-N 3.34Å; Q783-L786 PolarHBondContact O-N 2.96Å; Q783-R787 WeakPolarHBondContact O-CB 3.39Å; Q783-R787 PolarHBondContact O-N 2.99Å |
| 784 | V | 90.9 | Very high | 90.6 | Very high | 96 Ų | 96 | 62.9 Ų | 62.9 | 58% | 0.582 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | S781 R787 K788 | S781-V784 PolarHBondContact O-N 3.5Å; V784-R787 PolarHBondContact O-N 2.91Å; V784-K788 WeakPolarHBondContact O-CB 3.47Å; V784-K788 PolarHBondContact O-N 2.78Å |
| 785 | L | 91.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 179.6 | -171.8 | 49 | 0 | 0 | 0 | 112 | V749 E751 V752 I776 S781 E782 Q783 R787 K788 I789 | V749-L785 HydrophobicContact CB-CD1 4.34Å; V749-L785 HydrophobicContact CG1-CD1 3.33Å; E751-L785 HydrophobicContact CB-CD2 4.37Å; V752-L785 HydrophobicContact CG2-CD1 3.97Å; V752-L785 HydrophobicContact CG2-CD2 3.97Å; V752-L785 HydrophobicContact CG2-CG 4.36Å; I776-L785 HydrophobicContact CB-CD2 3.75Å; I776-L785 HydrophobicContact CD1-CD2 4.4Å; I776-L785 HydrophobicContact CG2-CD2 3.25Å; I776-L785 HydrophobicContact CG2-CG 4.25Å; S781-L785 PolarHBondContact O-N 2.92Å; S781-L785 VanDerWaalsContact O-N 3.15Å; E782-L785 PolarHBondContact O-N 3.42Å; Q783-L785 VanDerWaalsContact C-N 3.34Å; L785-R787 VanDerWaalsContact C-N 3.31Å; L785-R787 PolarHBondContact O-N 3.27Å; L785-K788 PolarHBondContact O-N 2.94Å; L785-I789 HydrophobicContact CD1-CD1 3.88Å; L785-I789 HydrophobicContact CD1-CG1 4.03Å; L785-I789 HydrophobicContact CG-CD1 3.85Å; L785-I789 HydrophobicContact CG-CG1 4.45Å; L785-I789 VanDerWaalsContact O-CG1 3.27Å; L785-I789 WeakPolarHBondContact O-CG1 3.47Å; L785-I789 PolarHBondContact O-N 2.83Å |
| 786 | L | 92.7 | Very high | 90.1 | Very high | 45 Ų | 45 | 71.2 Ų | 71.2 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -53.6 | -49.6 | 171.9 | -174.5 | 64.3 | 0 | 0 | 0 | 111.2 | E782 Q783 I789 K790 I805 I807 | E782-L786 VanDerWaalsContact O-CB 3.31Å; E782-L786 WeakPolarHBondContact O-CB 3.27Å; E782-L786 PolarHBondContact O-N 3.31Å; Q783-L786 PolarHBondContact O-N 2.96Å; L786-I789 PolarHBondContact O-N 2.93Å; L786-K790 HydrophobicContact CG-CD 4.41Å; L786-K790 WeakPolarHBondContact O-CB 3.37Å; L786-K790 VanDerWaalsContact O-CG 3.31Å; L786-K790 WeakPolarHBondContact O-CG 3.44Å; L786-K790 PolarHBondContact O-N 2.98Å; L786-I805 HydrophobicContact CD1-CB 3.63Å; L786-I805 HydrophobicContact CD1-CD1 4.16Å; L786-I805 HydrophobicContact CD1-CG1 4.46Å; L786-I805 HydrophobicContact CD1-CG2 3.87Å; L786-I807 HydrophobicContact CB-CD1 3.63Å; L786-I807 HydrophobicContact CD1-CD1 4Å; L786-I807 HydrophobicContact CD1-CG1 4.42Å; L786-I807 HydrophobicContact CG-CD1 4.35Å |
| 787 | R | 92.4 | Very high | 89.6 | Confident | 170 Ų | 170 | 71.9 Ų | 71.9 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 179.6 | -178.5 | 177.4 | 173.2 | 177.8 | -0.8 | 111.4 | Q783 V784 L785 I789 K790 E791 | Q783-R787 WeakPolarHBondContact O-CB 3.39Å; Q783-R787 PolarHBondContact O-N 2.99Å; V784-R787 PolarHBondContact O-N 2.91Å; L785-R787 VanDerWaalsContact C-N 3.31Å; L785-R787 PolarHBondContact O-N 3.27Å; R787-I789 VanDerWaalsContact C-N 3.33Å; R787-I789 PolarHBondContact O-N 2.95Å; R787-K790 PolarHBondContact O-N 2.79Å; R787-E791 HydrophobicContact CG-CG 4.44Å; R787-E791 WeakPolarHBondContact CG-OE1 3.32Å; R787-E791 IonicContact CZ-OE1 3.82Å; R787-E791 IonicContact NE-OE1 3.18Å; R787-E791 PolarHBondContact NE-OE1 2.94Å; R787-E791 IonicContact NH2-OE1 2.74Å; R787-E791 PolarHBondContact NH2-OE1 3.15Å; R787-E791 WeakPolarHBondContact O-CB 3.41Å; R787-E791 WeakPolarHBondContact O-CG 3.29Å; R787-E791 PolarHBondContact O-N 3.2Å |
| 788 | K | 92.6 | Very high | 89 | Confident | 93 Ų | 93 | 76.8 Ų | 76.8 | 40% | 0.404 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 179 | -170.3 | 173.4 | 179 | -174.3 | 0 | 111.8 | V749 D750 V784 L785 L792 | V749-K788 HydrophobicContact CG1-CD 3.7Å; V749-K788 HydrophobicContact CG1-CG 4.21Å; D750-K788 IonicContact OD2-NZ 2.95Å; V784-K788 WeakPolarHBondContact O-CB 3.47Å; V784-K788 PolarHBondContact O-N 2.78Å; L785-K788 PolarHBondContact O-N 2.94Å; K788-L792 VanDerWaalsContact O-CB 3.27Å; K788-L792 WeakPolarHBondContact O-CB 3.38Å; K788-L792 PolarHBondContact O-N 3.16Å |
| 789 | I | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 177.9 | -62.3 | 166.5 | 0 | 0 | 0 | 111 | I746 V749 V752 V774 L785 L786 R787 L792 I793 I805 | I746-I789 HydrophobicContact CD1-CG2 4.46Å; I746-I789 HydrophobicContact CG1-CG2 4.15Å; I746-I789 HydrophobicContact CG2-CD1 4.28Å; I746-I789 HydrophobicContact CG2-CG2 4.31Å; V749-I789 HydrophobicContact CG2-CG1 4.44Å; V752-I789 HydrophobicContact CG2-CD1 4.27Å; V774-I789 HydrophobicContact CB-CD1 4.4Å; V774-I789 HydrophobicContact CG1-CD1 3.9Å; V774-I789 HydrophobicContact CG2-CD1 4.25Å; L785-I789 HydrophobicContact CD1-CD1 3.88Å; L785-I789 HydrophobicContact CD1-CG1 4.03Å; L785-I789 HydrophobicContact CG-CD1 3.85Å; L785-I789 HydrophobicContact CG-CG1 4.45Å; L785-I789 VanDerWaalsContact O-CG1 3.27Å; L785-I789 WeakPolarHBondContact O-CG1 3.47Å; L785-I789 PolarHBondContact O-N 2.83Å; L786-I789 PolarHBondContact O-N 2.93Å; R787-I789 VanDerWaalsContact C-N 3.33Å; R787-I789 PolarHBondContact O-N 2.95Å; I789-L792 PolarHBondContact O-N 3.42Å; I789-I793 HydrophobicContact CG2-CD1 3.84Å; I789-I793 HydrophobicContact CG2-CG1 4.37Å; I789-I793 WeakPolarHBondContact O-CG1 3.27Å; I789-I793 PolarHBondContact O-N 2.81Å; I789-I805 HydrophobicContact CB-CD1 4.03Å; I789-I805 HydrophobicContact CG2-CD1 3.58Å |
| 790 | K | 92.6 | Very high | 88.5 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 34% | 0.339 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 175.1 | -76.4 | -174.3 | 177 | -178.6 | 0 | 111.9 | L786 R787 L792 I793 Q794 L803 I805 | L786-K790 HydrophobicContact CG-CD 4.41Å; L786-K790 WeakPolarHBondContact O-CB 3.37Å; L786-K790 VanDerWaalsContact O-CG 3.31Å; L786-K790 WeakPolarHBondContact O-CG 3.44Å; L786-K790 PolarHBondContact O-N 2.98Å; R787-K790 PolarHBondContact O-N 2.79Å; K790-L792 VanDerWaalsContact C-N 3.34Å; K790-L792 PolarHBondContact O-N 2.78Å; K790-I793 PolarHBondContact O-N 3.2Å; K790-Q794 WeakPolarHBondContact O-CB 3.26Å; K790-Q794 VanDerWaalsContact O-CG 3.32Å; K790-Q794 WeakPolarHBondContact O-CG 3.26Å; K790-Q794 PolarHBondContact O-N 3.06Å; K790-L803 HydrophobicContact CB-CD2 4.25Å; K790-L803 HydrophobicContact CG-CD2 3.9Å; K790-I805 HydrophobicContact CG-CD1 3.68Å |
| 791 | E | 91.6 | Very high | 88.3 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 38% | 0.383 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.3 | -72.4 | 174.4 | -173.7 | 0 | 0 | 111.2 | R787 I793 Q794 N795 | R787-E791 HydrophobicContact CG-CG 4.44Å; R787-E791 WeakPolarHBondContact CG-OE1 3.32Å; R787-E791 IonicContact CZ-OE1 3.82Å; R787-E791 IonicContact NE-OE1 3.18Å; R787-E791 PolarHBondContact NE-OE1 2.94Å; R787-E791 IonicContact NH2-OE1 2.74Å; R787-E791 PolarHBondContact NH2-OE1 3.15Å; R787-E791 WeakPolarHBondContact O-CB 3.41Å; R787-E791 WeakPolarHBondContact O-CG 3.29Å; R787-E791 PolarHBondContact O-N 3.2Å; E791-I793 PolarHBondContact O-N 3.39Å; E791-Q794 PolarHBondContact O-N 3.01Å; E791-N795 WeakPolarHBondContact O-CB 3.43Å; E791-N795 PolarHBondContact O-N 3.29Å; E791-N795 PolarHBondContact O-ND2 2.9Å; E791-N795 VanDerWaalsContact O-ND2 3.13Å |
| 792 | L | 90.6 | Very high | 88.2 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 175.6 | -179.3 | 165.3 | 0 | 0 | 0 | 111.2 | K745 V749 K788 I789 K790 H796 | K745-L792 HydrophobicContact CB-CD1 4.46Å; K745-L792 HydrophobicContact CB-CD2 3.94Å; K745-L792 HydrophobicContact CD-CD2 4.47Å; V749-L792 HydrophobicContact CG2-CD1 3.62Å; K788-L792 VanDerWaalsContact O-CB 3.27Å; K788-L792 WeakPolarHBondContact O-CB 3.38Å; K788-L792 PolarHBondContact O-N 3.16Å; I789-L792 PolarHBondContact O-N 3.42Å; K790-L792 VanDerWaalsContact C-N 3.34Å; K790-L792 PolarHBondContact O-N 2.78Å; L792-H796 WeakPolarHBondContact O-CB 3.37Å; L792-H796 PolarHBondContact O-N 2.96Å; L792-H796 PolarHBondContact O-ND1 3.27Å |
| 793 | I | 89.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -46.9 | -178.3 | -67 | 171.9 | 0 | 0 | 0 | 110.2 | M742 I746 I789 K790 E791 N795 H796 F797 V800 L803 I805 | M742-I793 HydrophobicContact SD-CD1 4.47Å; I746-I793 HydrophobicContact CD1-CD1 3.99Å; I746-I793 HydrophobicContact CG1-CD1 4.44Å; I789-I793 HydrophobicContact CG2-CD1 3.84Å; I789-I793 HydrophobicContact CG2-CG1 4.37Å; I789-I793 WeakPolarHBondContact O-CG1 3.27Å; I789-I793 PolarHBondContact O-N 2.81Å; K790-I793 PolarHBondContact O-N 3.2Å; E791-I793 PolarHBondContact O-N 3.39Å; I793-N795 PolarHBondContact O-N 3.25Å; I793-H796 PolarHBondContact O-N 3.42Å; I793-F797 HydrophobicContact CG2-CD2 4.19Å; I793-F797 WeakPolarHBondContact O-CA 3.5Å; I793-F797 WeakPolarHBondContact O-CB 3.33Å; I793-F797 PolarHBondContact O-N 3.3Å; I793-V800 HydrophobicContact CG2-CG2 4.05Å; I793-L803 HydrophobicContact CB-CD2 3.98Å; I793-L803 HydrophobicContact CD1-CD1 3.76Å; I793-L803 HydrophobicContact CD1-CD2 4.04Å; I793-L803 HydrophobicContact CG2-CD1 4.39Å; I793-L803 HydrophobicContact CG2-CD2 3.99Å; I793-I805 HydrophobicContact CD1-CD1 4.44Å |
| 794 | Q | 88 | Confident | 88.4 | Confident | 108 Ų | 108 | 69.2 Ų | 69.2 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -36.6 | -178.9 | -72.7 | 176.9 | -17.8 | 0 | 0 | 113.1 | K790 E791 | K790-Q794 WeakPolarHBondContact O-CB 3.26Å; K790-Q794 VanDerWaalsContact O-CG 3.32Å; K790-Q794 WeakPolarHBondContact O-CG 3.26Å; K790-Q794 PolarHBondContact O-N 3.06Å; E791-Q794 PolarHBondContact O-N 3.01Å |
| 795 | N | 87.3 | Confident | 88.5 | Confident | 123 Ų | 123 | 65.6 Ų | 65.6 | 66% | 0.658 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -71 | -35.8 | 178.4 | -73.2 | -23.9 | 0 | 0 | 0 | 112.6 | E791 I793 | E791-N795 WeakPolarHBondContact O-CB 3.43Å; E791-N795 PolarHBondContact O-N 3.29Å; E791-N795 PolarHBondContact O-ND2 2.9Å; E791-N795 VanDerWaalsContact O-ND2 3.13Å; I793-N795 PolarHBondContact O-N 3.25Å |
| 796 | H | 85 | Confident | 88.5 | Confident | 97 Ų | 97 | 69.3 Ų | 69.3 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -88.4 | -34 | -178 | -71.4 | 90.5 | 0 | 0 | 0 | 113.2 | K745 L792 I793 | K745-H796 VanDerWaalsContact CE-CD2 3.43Å; K745-H796 WeakPolarHBondContact CE-CD2 3.46Å; K745-H796 PolarHBondContact NZ-CD2 2.93Å; K745-H796 PolarHBondContact NZ-NE2 2.96Å; L792-H796 WeakPolarHBondContact O-CB 3.37Å; L792-H796 PolarHBondContact O-N 2.96Å; L792-H796 PolarHBondContact O-ND1 3.27Å; I793-H796 PolarHBondContact O-N 3.42Å |
| 797 | F | 83.7 | Confident | 88.5 | Confident | 15 Ų | 15 | 68.9 Ų | 68.9 | 7% | 0.066 | 33% | 0.332 | C | S | . | . | trans | -123 | 83.3 | -174.6 | -55.2 | -79.1 | 0 | 0 | 0 | 109.5 | F737 M742 I793 S799 V800 | F737-F797 AromaticContact CD1-CD1 3.79Å; F737-F797 HydrophobicContact CD1-CD1 3.79Å; F737-F797 AromaticContact CD1-CE1 3.74Å; F737-F797 HydrophobicContact CD1-CE1 3.74Å; F737-F797 HydrophobicContact CD1-CG 4.38Å; F737-F797 HydrophobicContact CD1-CZ 4.3Å; F737-F797 HydrophobicContact CE1-CB 3.95Å; F737-F797 AromaticContact CE1-CD1 3.31Å; F737-F797 HydrophobicContact CE1-CD1 3.31Å; F737-F797 HydrophobicContact CE1-CD2 4.09Å; F737-F797 AromaticContact CE1-CE1 3.72Å; F737-F797 HydrophobicContact CE1-CE1 3.72Å; F737-F797 HydrophobicContact CE1-CE2 4.44Å; F737-F797 AromaticContact CE1-CG 3.52Å; F737-F797 HydrophobicContact CE1-CG 3.52Å; F737-F797 HydrophobicContact CE1-CZ 4.27Å; F737-F797 HydrophobicContact CE2-CD1 4.28Å; F737-F797 HydrophobicContact CG-CD1 4.47Å; F737-F797 HydrophobicContact CG-CE1 4.45Å; F737-F797 HydrophobicContact CZ-CB 3.72Å; F737-F797 AromaticContact CZ-CD1 3.6Å; F737-F797 HydrophobicContact CZ-CD1 3.6Å; F737-F797 HydrophobicContact CZ-CE1 4.39Å; F737-F797 AromaticContact CZ-CG 3.78Å; F737-F797 HydrophobicContact CZ-CG 3.78Å; M742-F797 HydrophobicContact CB-CE2 3.9Å; M742-F797 HydrophobicContact CB-CZ 3.86Å; M742-F797 HydrophobicContact CG-CD2 4.5Å; M742-F797 HydrophobicContact CG-CE2 3.84Å; M742-F797 HydrophobicContact CG-CZ 4.31Å; I793-F797 HydrophobicContact CG2-CD2 4.19Å; I793-F797 WeakPolarHBondContact O-CA 3.5Å; I793-F797 WeakPolarHBondContact O-CB 3.33Å; I793-F797 PolarHBondContact O-N 3.3Å; F797-S799 PolarHBondContact O-N 2.94Å; F797-S799 VanDerWaalsContact O-N 3.17Å; F797-V800 HydrophobicContact CB-CG2 3.72Å; F797-V800 PolarHBondContact O-N 3.21Å | ||
| 798 | K | 77.9 | Confident | 88.3 | Confident | 194 Ų | 194 | 61.5 Ų | 61.5 | 84% | 0.843 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.8 | -177.9 | -65.3 | -177.9 | -179.8 | 178.2 | 0 | 113.6 | V800 | K798-V800 VanDerWaalsContact C-N 3.33Š|
| 799 | S | 77.6 | Confident | 88.2 | Confident | 29 Ų | 29 | 59 Ų | 59 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -7.7 | -179.8 | 47 | 0 | 0 | 0 | 0 | 114.1 | E736 V768 F797 S801 | E736-S799 PolarHBondContact OE2-OG 3.4Å; V768-S799 WeakPolarHBondContact CB-O 3.42Å; V768-S799 PolarHBondContact N-O 3.03Å; F797-S799 PolarHBondContact O-N 2.94Å; F797-S799 VanDerWaalsContact O-N 3.17Å; S799-S801 PolarHBondContact O-N 2.92Å |
| 800 | V | 84.2 | Confident | 87.6 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 113.3 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | F737 V770 I793 F797 K798 L803 | F737-V800 HydrophobicContact CE1-CG2 4.35Å; F737-V800 HydrophobicContact CZ-CG2 3.73Å; V770-V800 HydrophobicContact CB-CG1 4.33Å; V770-V800 HydrophobicContact CG2-CG1 3.93Å; V770-V800 HydrophobicContact CG2-CG2 3.86Å; I793-V800 HydrophobicContact CG2-CG2 4.05Å; F797-V800 HydrophobicContact CB-CG2 3.72Å; F797-V800 PolarHBondContact O-N 3.21Å; K798-V800 VanDerWaalsContact C-N 3.33Å; V800-L803 HydrophobicContact CG1-CB 4Å |
| 801 | S | 82.9 | Confident | 87.1 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -39.4 | 177 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | S767 V768 S799 | S767-S801 WeakPolarHBondContact CA-OG 3.31Å; S767-S801 WeakPolarHBondContact CB-OG 3.39Å; S767-S801 PolarHBondContact OG-OG 2.92Å; V768-S801 PolarHBondContact O-N 2.91Å; V768-S801 PolarHBondContact O-OG 3.25Å; S799-S801 PolarHBondContact O-N 2.92Å |
| 802 | H | 88 | Confident | 86.5 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.8 | -177.9 | -68.2 | -69 | 0 | 0 | 0 | 110 | F508 V768 C769 V770 | F508-H802 AromaticContact CE1-CD2 3.9Å; V768-H802 PolarHBondContact O-N 3.37Å; C769-H802 WeakPolarHBondContact CA-O 3.2Å; V770-H802 PolarHBondContact N-O 2.9Å |
| 803 | L | 91.7 | Very high | 85.6 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.3 | -179 | 175.8 | 58.9 | 0 | 0 | 0 | 110.4 | V770 K790 I793 V800 I805 | V770-L803 HydrophobicContact CB-CD1 3.84Å; V770-L803 HydrophobicContact CG1-CD1 3.73Å; V770-L803 WeakPolarHBondContact O-CA 3.35Å; K790-L803 HydrophobicContact CB-CD2 4.25Å; K790-L803 HydrophobicContact CG-CD2 3.9Å; I793-L803 HydrophobicContact CB-CD2 3.98Å; I793-L803 HydrophobicContact CD1-CD1 3.76Å; I793-L803 HydrophobicContact CD1-CD2 4.04Å; I793-L803 HydrophobicContact CG2-CD1 4.39Å; I793-L803 HydrophobicContact CG2-CD2 3.99Å; V800-L803 HydrophobicContact CG1-CB 4Å; L803-I805 HydrophobicContact CD1-CD1 4.19Å; L803-I805 HydrophobicContact CD1-CG1 3.81Å; L803-I805 HydrophobicContact CD2-CD1 4.07Å; L803-I805 HydrophobicContact CG-CD1 4.1Å; L803-I805 HydrophobicContact CG-CG1 4Å |
| 804 | T | 93 | Very high | 85.2 | Confident | 86 Ų | 86 | 74.2 Ų | 74.2 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.2 | 172.7 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | V770 C771 V772 | V770-T804 PolarHBondContact O-N 3.18Å; C771-T804 WeakPolarHBondContact CA-O 3.32Å; V772-T804 PolarHBondContact N-O 3.13Å |
| 805 | I | 93.2 | Very high | 84.9 | Confident | 20 Ų | 20 | 75 Ų | 75 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 117.6 | 176.3 | -57.2 | 170 | 0 | 0 | 0 | 106.9 | V772 V774 L786 I789 K790 I793 L803 I807 | V772-I805 HydrophobicContact CG1-CB 4.36Å; V772-I805 HydrophobicContact CG1-CG1 3.82Å; V772-I805 HydrophobicContact CG1-CG2 4.33Å; V772-I805 VanDerWaalsContact O-CA 3.32Å; V772-I805 WeakPolarHBondContact O-CA 3.47Å; V774-I805 HydrophobicContact CB-CG2 4.46Å; V774-I805 HydrophobicContact CG2-CG2 3.93Å; L786-I805 HydrophobicContact CD1-CB 3.63Å; L786-I805 HydrophobicContact CD1-CD1 4.16Å; L786-I805 HydrophobicContact CD1-CG1 4.46Å; L786-I805 HydrophobicContact CD1-CG2 3.87Å; I789-I805 HydrophobicContact CB-CD1 4.03Å; I789-I805 HydrophobicContact CG2-CD1 3.58Å; K790-I805 HydrophobicContact CG-CD1 3.68Å; I793-I805 HydrophobicContact CD1-CD1 4.44Å; L803-I805 HydrophobicContact CD1-CD1 4.19Å; L803-I805 HydrophobicContact CD1-CG1 3.81Å; L803-I805 HydrophobicContact CD2-CD1 4.07Å; L803-I805 HydrophobicContact CG-CD1 4.1Å; L803-I805 HydrophobicContact CG-CG1 4Å; I805-I807 HydrophobicContact CG2-CG1 4.25Å |
| 806 | Q | 91.6 | Very high | 84.4 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.9 | 170.9 | 177.6 | 169.3 | -29.8 | 0 | 0 | 108.4 | V772 T773 V774 E808 | V772-Q806 PolarHBondContact O-N 3.31Å; T773-Q806 CarbonylContact C-O 3.37Å; T773-Q806 WeakPolarHBondContact CA-O 3.41Å; T773-Q806 HydrophobicContact CG2-CB 4.33Å; T773-Q806 HydrophobicContact CG2-CG 4.26Å; V774-Q806 PolarHBondContact N-O 2.85Å; Q806-E808 HydrophobicContact CG-CG 4.31Å; Q806-E808 PolarHBondContact NE2-OE1 2.79Å |
| 807 | I | 91.8 | Very high | 84.2 | Confident | 37 Ų | 37 | 71 Ų | 71 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.3 | 177.8 | -65.6 | -179.2 | 0 | 0 | 0 | 108.6 | V774 I776 E782 L786 I805 | V774-I807 WeakPolarHBondContact O-CA 3.28Å; I776-I807 HydrophobicContact CD1-CG2 3.55Å; I776-I807 HydrophobicContact CG1-CG2 3.79Å; I776-I807 HydrophobicContact CG2-CG2 3.92Å; E782-I807 HydrophobicContact CB-CD1 4.37Å; E782-I807 HydrophobicContact CB-CG2 4.28Å; E782-I807 HydrophobicContact CG-CG2 3.94Å; E782-I807 WeakPolarHBondContact O-CD1 3.41Å; L786-I807 HydrophobicContact CB-CD1 3.63Å; L786-I807 HydrophobicContact CD1-CD1 4Å; L786-I807 HydrophobicContact CD1-CG1 4.42Å; L786-I807 HydrophobicContact CG-CD1 4.35Å; I805-I807 HydrophobicContact CG2-CG1 4.25Å |
| 808 | E | 88.7 | Confident | 84 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 7% | 0.07 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142 | 177.8 | -66.5 | -179.7 | 174.2 | 0 | 0 | 110.5 | T773 V774 R775 I776 Q806 Y812 | T773-E808 HydrophobicContact CG2-CG 3.78Å; T773-E808 WeakPolarHBondContact CG2-OE1 3.32Å; T773-E808 WeakPolarHBondContact CG2-OE2 3.44Å; V774-E808 PolarHBondContact O-N 2.92Å; R775-E808 VanDerWaalsContact CA-O 3.29Å; R775-E808 WeakPolarHBondContact CA-O 3.26Å; I776-E808 PolarHBondContact N-O 2.75Å; Q806-E808 HydrophobicContact CG-CG 4.31Å; Q806-E808 PolarHBondContact NE2-OE1 2.79Å; E808-Y812 HydrophobicContact CB-CD1 4.37Å; E808-Y812 HydrophobicContact CG-CD1 3.96Å; E808-Y812 HydrophobicContact CG-CE1 4.18Å |
| 809 | K | 89.6 | Confident | 84.3 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 17% | 0.17 | 36% | 0.358 | C | S | . | . | trans | -109.6 | 163 | 169.8 | -75.9 | 177.2 | 171.6 | 166.4 | 0 | 109.7 | I776 E782 E811 Y812 | I776-K809 HydrophobicContact CD1-CG 4.35Å; I776-K809 HydrophobicContact CG1-CG 3.85Å; E782-K809 WeakPolarHBondContact OE1-CE 3.49Å; E782-K809 IonicContact OE1-NZ 2.72Å; E782-K809 PolarHBondContact OE1-NZ 2.77Å; K809-E811 PolarHBondContact O-N 2.98Å; K809-Y812 WeakPolarHBondContact O-CB 3.31Å; K809-Y812 PolarHBondContact O-N 3.43Å | ||
| 810 | E | 81.6 | Confident | 84.3 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.3 | -36.7 | 179.5 | -161.6 | 173.4 | -176.3 | 0 | 0 | 112.2 | Y812 E813 Y814 | E810-Y812 VanDerWaalsContact C-N 3.26Å; E810-Y812 PolarHBondContact O-N 3.2Å; E810-E813 PolarHBondContact O-N 2.97Å; E810-E813 VanDerWaalsContact O-N 3.16Å; E810-Y814 HydrophobicContact CG-CD2 4.29Å; E810-Y814 HydrophobicContact CG-CE2 3.7Å; E810-Y814 VanDerWaalsContact O-CD2 3.32Å; E810-Y814 WeakPolarHBondContact O-CD2 3.18Å; E810-Y814 PolarHBondContact O-N 3.23Å |
| 811 | E | 81.4 | Confident | 83.9 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 43% | 0.425 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.1 | -39.3 | 174.8 | -62 | 115.1 | -146.8 | 0 | 0 | 112.8 | S778 K809 E813 Y814 H815 | S778-E811 VanDerWaalsContact CB-OE1 3.25Å; S778-E811 WeakPolarHBondContact CB-OE1 3.47Å; S778-E811 PolarHBondContact OG-OE1 3.18Å; K809-E811 PolarHBondContact O-N 2.98Å; E811-E813 VanDerWaalsContact C-N 3.32Å; E811-E813 PolarHBondContact O-N 3.33Å; E811-Y814 PolarHBondContact O-N 3.39Å; E811-H815 PolarHBondContact O-CD2 2.82Å; E811-H815 PolarHBondContact O-N 3.4Å |
| 812 | Y | 78.4 | Confident | 83.1 | Confident | 110 Ų | 110 | 82.4 Ų | 82.4 | 43% | 0.431 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | -179.5 | 177.6 | -98.5 | 0 | 0 | 0 | 111.9 | E808 K809 E810 H815 T816 | E808-Y812 HydrophobicContact CB-CD1 4.37Å; E808-Y812 HydrophobicContact CG-CD1 3.96Å; E808-Y812 HydrophobicContact CG-CE1 4.18Å; K809-Y812 WeakPolarHBondContact O-CB 3.31Å; K809-Y812 PolarHBondContact O-N 3.43Å; E810-Y812 VanDerWaalsContact C-N 3.26Å; E810-Y812 PolarHBondContact O-N 3.2Å; Y812-H815 PolarHBondContact O-N 3.4Å; Y812-T816 HydrophobicContact CD1-CG2 4.27Å; Y812-T816 HydrophobicContact CD2-CG2 4.47Å; Y812-T816 HydrophobicContact CE1-CG2 3.85Å; Y812-T816 HydrophobicContact CE2-CG2 4.05Å; Y812-T816 WeakPolarHBondContact O-CG2 3.25Å; Y812-T816 PolarHBondContact O-N 3.05Å; Y812-T816 PolarHBondContact O-OG1 2.87Å |
| 813 | E | 73.3 | Confident | 82.1 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 176.7 | -174.8 | 167.2 | -178.8 | 0 | 0 | 111.2 | R775 E810 E811 H815 T816 Q817 | R775-E813 IonicContact CZ-OE2 3.61Å; R775-E813 IonicContact NE-OE2 3.27Å; R775-E813 IonicContact NH1-OE2 3.29Å; R775-E813 PolarHBondContact NH1-OE2 3.12Å; R775-E813 IonicContact NH2-OE2 3.21Å; R775-E813 PolarHBondContact NH2-OE2 3.46Å; E810-E813 PolarHBondContact O-N 2.97Å; E810-E813 VanDerWaalsContact O-N 3.16Å; E811-E813 VanDerWaalsContact C-N 3.32Å; E811-E813 PolarHBondContact O-N 3.33Å; E813-H815 VanDerWaalsContact C-N 3.33Å; E813-H815 PolarHBondContact O-N 3.09Å; E813-T816 WeakPolarHBondContact CA-OG1 3.35Å; E813-T816 PolarHBondContact O-N 3.47Å; E813-T816 PolarHBondContact O-OG1 2.95Å; E813-Q817 HydrophobicContact CG-CG 4.4Å; E813-Q817 WeakPolarHBondContact O-CB 3.34Å; E813-Q817 VanDerWaalsContact O-CG 3.26Å; E813-Q817 WeakPolarHBondContact O-CG 3.45Å; E813-Q817 PolarHBondContact O-N 2.78Å; E813-Q817 PolarHBondContact OE1-NE2 3.12Å |
| 814 | Y | 80.2 | Confident | 81 | Confident | 143 Ų | 143 | 85.3 Ų | 85.3 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 174.8 | -70.6 | -56.4 | 0 | 0 | 0 | 112.4 | E810 E811 A818 | E810-Y814 HydrophobicContact CG-CD2 4.29Å; E810-Y814 HydrophobicContact CG-CE2 3.7Å; E810-Y814 VanDerWaalsContact O-CD2 3.32Å; E810-Y814 WeakPolarHBondContact O-CD2 3.18Å; E810-Y814 PolarHBondContact O-N 3.23Å; E811-Y814 PolarHBondContact O-N 3.39Å; Y814-A818 VanDerWaalsContact O-CB 3.26Å; Y814-A818 WeakPolarHBondContact O-CB 3.31Å; Y814-A818 PolarHBondContact O-N 3.01Å |
| 815 | H | 81.6 | Confident | 79.9 | Confident | 124 Ų | 124 | 85 Ų | 85 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | 177.7 | -75.2 | -62.5 | 0 | 0 | 0 | 112.5 | E811 Y812 E813 A818 M819 | E811-H815 PolarHBondContact O-CD2 2.82Å; E811-H815 PolarHBondContact O-N 3.4Å; Y812-H815 PolarHBondContact O-N 3.4Å; E813-H815 VanDerWaalsContact C-N 3.33Å; E813-H815 PolarHBondContact O-N 3.09Å; H815-A818 PolarHBondContact O-N 3.06Å; H815-M819 HydrophobicContact CB-CE 4.45Å; H815-M819 WeakPolarHBondContact O-CE 3.48Å; H815-M819 WeakPolarHBondContact O-CG 3.46Å; H815-M819 PolarHBondContact O-N 3.36Å |
| 816 | T | 77.5 | Confident | 78.7 | Confident | 21 Ų | 21 | 89.6 Ų | 89.6 | 13% | 0.129 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67 | -40.5 | 178.4 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | Y812 E813 M819 G820 L821 | Y812-T816 HydrophobicContact CD1-CG2 4.27Å; Y812-T816 HydrophobicContact CD2-CG2 4.47Å; Y812-T816 HydrophobicContact CE1-CG2 3.85Å; Y812-T816 HydrophobicContact CE2-CG2 4.05Å; Y812-T816 WeakPolarHBondContact O-CG2 3.25Å; Y812-T816 PolarHBondContact O-N 3.05Å; Y812-T816 PolarHBondContact O-OG1 2.87Å; E813-T816 WeakPolarHBondContact CA-OG1 3.35Å; E813-T816 PolarHBondContact O-N 3.47Å; E813-T816 PolarHBondContact O-OG1 2.95Å; T816-M819 HydrophobicContact CG2-CE 4.29Å; T816-M819 CarbonylContact O-C 3.58Å; T816-M819 PolarHBondContact O-N 3.18Å; T816-G820 PolarHBondContact O-N 2.72Å; T816-L821 PolarHBondContact O-N 3.23Å |
| 817 | Q | 80.4 | Confident | 78 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 173.1 | -71.5 | 177.9 | 4.7 | 0 | 0 | 111.7 | E813 M819 G820 | E813-Q817 HydrophobicContact CG-CG 4.4Å; E813-Q817 WeakPolarHBondContact O-CB 3.34Å; E813-Q817 VanDerWaalsContact O-CG 3.26Å; E813-Q817 WeakPolarHBondContact O-CG 3.45Å; E813-Q817 PolarHBondContact O-N 2.78Å; E813-Q817 PolarHBondContact OE1-NE2 3.12Å; Q817-M819 PolarHBondContact O-N 3.34Å; Q817-G820 PolarHBondContact O-N 2.7Å |
| 818 | A | 80 | Confident | 77.7 | Confident | 90 Ų | 90 | 88.9 Ų | 88.9 | 74% | 0.744 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.6 | -29.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y814 H815 G820 | Y814-A818 VanDerWaalsContact O-CB 3.26Å; Y814-A818 WeakPolarHBondContact O-CB 3.31Å; Y814-A818 PolarHBondContact O-N 3.01Å; H815-A818 PolarHBondContact O-N 3.06Å; A818-G820 VanDerWaalsContact C-N 3.33Å |
| 819 | M | 83.1 | Confident | 77.7 | Confident | 117 Ų | 117 | 90.9 Ų | 90.9 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.1 | 173.9 | -70.1 | -175.1 | -71.4 | 0 | 0 | 113.8 | H815 T816 Q817 L821 | H815-M819 HydrophobicContact CB-CE 4.45Å; H815-M819 WeakPolarHBondContact O-CE 3.48Å; H815-M819 WeakPolarHBondContact O-CG 3.46Å; H815-M819 PolarHBondContact O-N 3.36Å; T816-M819 HydrophobicContact CG2-CE 4.29Å; T816-M819 CarbonylContact O-C 3.58Å; T816-M819 PolarHBondContact O-N 3.18Å; Q817-M819 PolarHBondContact O-N 3.34Å; M819-L821 VanDerWaalsContact C-N 3.27Å; M819-L821 HydrophobicContact CB-CD1 3.98Å; M819-L821 HydrophobicContact CB-CG 4.39Å; M819-L821 HydrophobicContact CE-CD1 4.08Å; M819-L821 PolarHBondContact O-N 3.48Å; M819-L821 HydrophobicContact SD-CD1 4.37Å |
| 820 | G | 77.8 | Confident | 77.6 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 15.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T816 Q817 A818 H822 | T816-G820 PolarHBondContact O-N 2.72Å; Q817-G820 PolarHBondContact O-N 2.7Å; A818-G820 VanDerWaalsContact C-N 3.33Å; G820-H822 PolarHBondContact O-N 3.14Å |
| 821 | L | 76.4 | Confident | 77.8 | Confident | 107 Ų | 107 | 90.3 Ų | 90.3 | 56% | 0.56 | 47% | 0.474 | S | S | * | . | trans | -86.8 | 102 | 178 | -75.7 | 158.5 | 0 | 0 | 0 | 109.9 | T816 M819 | T816-L821 PolarHBondContact O-N 3.23Å; M819-L821 VanDerWaalsContact C-N 3.27Å; M819-L821 HydrophobicContact CB-CD1 3.98Å; M819-L821 HydrophobicContact CB-CG 4.39Å; M819-L821 HydrophobicContact CE-CD1 4.08Å; M819-L821 PolarHBondContact O-N 3.48Å; M819-L821 HydrophobicContact SD-CD1 4.37Å | ||
| 822 | H | 66.4 | Low | 77.8 | Confident | 184 Ų | 184 | 90.2 Ų | 90.2 | 85% | 0.852 | 48% | 0.483 | S | S | * | . | trans | -93.2 | 100.5 | 175.7 | -154.6 | -74.4 | 0 | 0 | 0 | 110.2 | G820 | G820-H822 PolarHBondContact O-N 3.14Š| ||
| 823 | L | 65.8 | Low | 78 | Confident | 101 Ų | 101 | 86.1 Ų | 86.1 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | trans | -72.3 | 132.5 | 178 | -164.2 | 68.5 | 0 | 0 | 0 | 110.2 | V825 | L823-V825 PolarHBondContact O-N 3.4Š| ||
| 824 | S | 68.5 | Low | 78.3 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | trans | -68.7 | 114.4 | 174.5 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | N757 | N757-S824 PolarHBondContact ND2-O 3.31Š| ||
| 825 | V | 69.5 | Low | 78.4 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | trans | -100.2 | 109.2 | 172.3 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | L823 H828 | L823-V825 PolarHBondContact O-N 3.4Å; V825-H828 HydrophobicContact CG1-CB 3.85Å | ||
| 826 | I | 68.8 | Low | 77.9 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 60% | 0.595 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -83.5 | -32.3 | 179.9 | -59 | -175.5 | 0 | 0 | 0 | 110.4 | N757 F759 | N757-I826 PolarHBondContact OD1-N 3.14Å; F759-I826 HydrophobicContact CE1-CB 4.43Å; F759-I826 HydrophobicContact CE1-CD1 3.95Å; F759-I826 HydrophobicContact CZ-CB 4.47Å; F759-I826 HydrophobicContact CZ-CD1 3.85Å; F759-I826 HydrophobicContact CZ-CG1 4.39Å |
| 827 | G | 78 | Confident | 77 | Confident | 15 Ų | 15 | 86 Ų | 86 | 16% | 0.155 | 49% | 0.494 | C | S | . | . | trans | -145.6 | 128.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S756 N757 | S756-G827 CarbonylContact C-O 3.48Å; S756-G827 VanDerWaalsContact CA-O 3.26Å; S756-G827 WeakPolarHBondContact CA-O 3.34Å; N757-G827 PolarHBondContact N-O 2.86Å; N757-G827 PolarHBondContact OD1-N 3.4Å | ||
| 828 | H | 84.9 | Confident | 75.6 | Confident | 89 Ų | 89 | 84.6 Ų | 84.6 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.7 | 176.6 | -172.3 | 71.1 | 0 | 0 | 0 | 110.2 | S754 S756 V825 | S754-H828 PolarHBondContact OG-CE1 2.82Å; S756-H828 PolarHBondContact OG-ND1 3.43Å; V825-H828 HydrophobicContact CG1-CB 3.85Å |
| 829 | Y | 88.2 | Confident | 73.8 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 23% | 0.227 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 97.8 | -176.4 | -58.7 | -84.9 | 0 | 0 | 0 | 109.3 | V743 S754 V755 P758 F833 | V743-Y829 HydrophobicContact CG1-CD1 4.16Å; V743-Y829 HydrophobicContact CG1-CD2 3.94Å; V743-Y829 HydrophobicContact CG1-CG 3.64Å; V743-Y829 HydrophobicContact CG2-CD2 4.49Å; S754-Y829 CarbonylContact C-O 3.56Å; S754-Y829 VanDerWaalsContact CA-O 3.28Å; S754-Y829 WeakPolarHBondContact CA-O 3.37Å; S754-Y829 WeakPolarHBondContact CB-O 3.39Å; V755-Y829 PolarHBondContact N-O 3.41Å; V755-Y829 WeakPolarHBondContact O-CB 3.12Å; V755-Y829 PolarHBondContact O-N 3.5Å; P758-Y829 HydrophobicContact CG-CD2 4.1Å; P758-Y829 HydrophobicContact CG-CE2 3.54Å; Y829-F833 AromaticContact CD1-CD1 3.82Å; Y829-F833 HydrophobicContact CD1-CD1 3.82Å; Y829-F833 AromaticContact CD1-CD2 3.91Å; Y829-F833 HydrophobicContact CD1-CD2 3.91Å; Y829-F833 AromaticContact CD1-CE1 3.79Å; Y829-F833 HydrophobicContact CD1-CE1 3.79Å; Y829-F833 AromaticContact CD1-CE2 3.89Å; Y829-F833 HydrophobicContact CD1-CE2 3.89Å; Y829-F833 AromaticContact CD1-CG 3.88Å; Y829-F833 HydrophobicContact CD1-CG 3.88Å; Y829-F833 AromaticContact CD1-CZ 3.83Å; Y829-F833 HydrophobicContact CD1-CZ 3.83Å; Y829-F833 HydrophobicContact CE1-CE1 4.2Å; Y829-F833 HydrophobicContact CE1-CE2 4.08Å; Y829-F833 AromaticContact CE1-CZ 3.9Å; Y829-F833 HydrophobicContact CE1-CZ 3.9Å; Y829-F833 HydrophobicContact CG-CD1 4.48Å |
| 830 | P | 87.7 | Confident | 71.8 | Confident | 51 Ų | 51 | 86.4 Ų | 86.4 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 161.8 | 173.5 | 29.4 | -34.9 | 0 | 0 | 0 | 111 | S832 F833 | P830-S832 WeakPolarHBondContact CG-OG 3.49Å; P830-S832 PolarHBondContact O-N 2.9Å; P830-F833 WeakPolarHBondContact O-CB 3.38Å; P830-F833 PolarHBondContact O-N 3.36Å |
| 831 | K | 85.3 | Confident | 69.6 | Low | 79 Ų | 79 | 91 Ų | 91 | 34% | 0.343 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -54.4 | -27.4 | 177.4 | -158.3 | 170.5 | -163.3 | 139.1 | 0 | 114.3 | L747 V749 V752 V753 F833 I834 | L747-K831 WeakPolarHBondContact O-CE 3.47Å; V749-K831 PolarHBondContact O-NZ 3.45Å; V752-K831 WeakPolarHBondContact O-CD 3.48Å; V752-K831 PolarHBondContact O-NZ 3.06Å; V753-K831 WeakPolarHBondContact O-CB 3.41Å; V753-K831 PolarHBondContact O-N 3.38Å; K831-F833 PolarHBondContact O-N 2.92Å; K831-I834 HydrophobicContact CG-CD1 3.88Å; K831-I834 WeakPolarHBondContact O-CD1 3.29Å; K831-I834 VanDerWaalsContact O-CG1 3.29Å; K831-I834 WeakPolarHBondContact O-CG1 3.48Å; K831-I834 PolarHBondContact O-N 3.06Å |
| 832 | S | 82.1 | Confident | 67.4 | Low | 89 Ų | 89 | 88.4 Ų | 88.4 | 62% | 0.622 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -61 | -20.9 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | P830 I834 N835 | P830-S832 WeakPolarHBondContact CG-OG 3.49Å; P830-S832 PolarHBondContact O-N 2.9Å; S832-I834 PolarHBondContact O-N 3.04Å; S832-N835 PolarHBondContact O-N 2.8Å |
| 833 | F | 82.5 | Confident | 65.5 | Low | 23 Ų | 23 | 86.9 Ų | 86.9 | 10% | 0.101 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -62.1 | -22.2 | 177.6 | -175.3 | -105.5 | 0 | 0 | 0 | 113.6 | Q740 V743 K744 L747 Y829 P830 K831 N835 S836 | Q740-F833 HydrophobicContact CB-CE1 4.17Å; Q740-F833 HydrophobicContact CB-CZ 4.16Å; Q740-F833 HydrophobicContact CG-CE1 4.46Å; Q740-F833 HydrophobicContact CG-CZ 4.01Å; V743-F833 HydrophobicContact CG1-CD1 4.26Å; V743-F833 HydrophobicContact CG1-CE1 4.36Å; K744-F833 HydrophobicContact CG-CD1 4.17Å; K744-F833 HydrophobicContact CG-CE1 4.05Å; L747-F833 HydrophobicContact CD1-CB 3.98Å; L747-F833 HydrophobicContact CD1-CD1 4.08Å; Y829-F833 AromaticContact CD1-CD1 3.82Å; Y829-F833 HydrophobicContact CD1-CD1 3.82Å; Y829-F833 AromaticContact CD1-CD2 3.91Å; Y829-F833 HydrophobicContact CD1-CD2 3.91Å; Y829-F833 AromaticContact CD1-CE1 3.79Å; Y829-F833 HydrophobicContact CD1-CE1 3.79Å; Y829-F833 AromaticContact CD1-CE2 3.89Å; Y829-F833 HydrophobicContact CD1-CE2 3.89Å; Y829-F833 AromaticContact CD1-CG 3.88Å; Y829-F833 HydrophobicContact CD1-CG 3.88Å; Y829-F833 AromaticContact CD1-CZ 3.83Å; Y829-F833 HydrophobicContact CD1-CZ 3.83Å; Y829-F833 HydrophobicContact CE1-CE1 4.2Å; Y829-F833 HydrophobicContact CE1-CE2 4.08Å; Y829-F833 AromaticContact CE1-CZ 3.9Å; Y829-F833 HydrophobicContact CE1-CZ 3.9Å; Y829-F833 HydrophobicContact CG-CD1 4.48Å; P830-F833 WeakPolarHBondContact O-CB 3.38Å; P830-F833 PolarHBondContact O-N 3.36Å; K831-F833 PolarHBondContact O-N 2.92Å; F833-N835 PolarHBondContact O-N 2.82Å; F833-S836 PolarHBondContact O-N 3.38Å; F833-S836 VanDerWaalsContact O-N 3.11Å |
| 834 | I | 80.2 | Confident | 63.6 | Low | 44 Ų | 44 | 86.2 Ų | 86.2 | 23% | 0.226 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -54.5 | -39.9 | 177.2 | -62.1 | 170 | 0 | 0 | 0 | 111.1 | L747 Q748 K831 S832 | L747-I834 HydrophobicContact CB-CD1 3.78Å; L747-I834 HydrophobicContact CB-CG1 3.61Å; L747-I834 HydrophobicContact CD1-CG1 4.25Å; L747-I834 WeakPolarHBondContact O-CD1 3.23Å; Q748-I834 HydrophobicContact CG-CD1 4.38Å; K831-I834 HydrophobicContact CG-CD1 3.88Å; K831-I834 WeakPolarHBondContact O-CD1 3.29Å; K831-I834 VanDerWaalsContact O-CG1 3.29Å; K831-I834 WeakPolarHBondContact O-CG1 3.48Å; K831-I834 PolarHBondContact O-N 3.06Å; S832-I834 PolarHBondContact O-N 3.04Å |
| 835 | N | 80.9 | Confident | 61.5 | Low | 149 Ų | 149 | 90 Ų | 90 | 80% | 0.797 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -90.5 | -2.1 | -175.7 | -65 | -16.2 | 0 | 0 | 0 | 113.5 | S832 F833 | S832-N835 PolarHBondContact O-N 2.8Å; F833-N835 PolarHBondContact O-N 2.82Å |
| 836 | S | 72 | Confident | 59.5 | Low | 39 Ų | 39 | 93.4 Ų | 93.4 | 27% | 0.273 | 52% | 0.515 | S | S | . | . | trans | -78.7 | 126.6 | 178.9 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | K744 F833 V838 | K744-S836 PolarHBondContact NZ-O 3.49Å; F833-S836 PolarHBondContact O-N 3.38Å; F833-S836 VanDerWaalsContact O-N 3.11Å; S836-V838 VanDerWaalsContact C-N 3.34Å; S836-V838 PolarHBondContact OG-N 3.25Å | ||
| 837 | S | 58.8 | Low | 57.4 | Low | 118 Ų | 118 | 95.4 Ų | 95.4 | 83% | 0.825 | 52% | 0.522 | S | S | * | . | trans | -86.9 | -4.3 | 167.6 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | L839 | S837-L839 PolarHBondContact O-N 3.41Š| ||
| 838 | V | 50.9 | Low | 55 | Low | 86 Ų | 86 | 103.5 Ų | 103.5 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | trans | -80.1 | 108.1 | -175 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | S836 M840 | S836-V838 VanDerWaalsContact C-N 3.34Å; S836-V838 PolarHBondContact OG-N 3.25Å; V838-M840 PolarHBondContact O-N 3.25Å | ||
| 839 | L | 41.9 | Very low | 52.1 | Low | 121 Ų | 121 | 107.8 Ų | 107.8 | 63% | 0.634 | 58% | 0.575 | S | S | * | * | trans | -63.5 | 96.3 | 157.2 | -94.4 | 146.2 | 0 | 0 | 0 | 107.3 | S837 N841 | S837-L839 PolarHBondContact O-N 3.41Å; L839-N841 PolarHBondContact O-N 2.9Å | ||
| 840 | M | 41.3 | Very low | 49.1 | Very low | 124 Ų | 124 | 113 Ų | 113 | 61% | 0.611 | 60% | 0.601 | S | S | * | * | trans | -68.1 | 101 | 177.4 | -139.9 | -167.2 | -167.3 | 0 | 0 | 108.9 | V838 | V838-M840 PolarHBondContact O-N 3.25Š| ||
| 841 | N | 31.1 | Very low | 46.2 | Very low | 153 Ų | 153 | 118.1 Ų | 118.1 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | trans | -77.9 | 122.4 | 162.9 | -77 | -15.1 | 0 | 0 | 0 | 107.8 | L839 | L839-N841 PolarHBondContact O-N 2.9Š| ||
| 842 | G | 30 | Very low | 43.3 | Very low | 53 Ų | 53 | 121.6 Ų | 121.6 | 55% | 0.546 | 65% | 0.648 | S | S | . | * | S | Bend | trans | 96.5 | 126.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T844 | G842-T844 PolarHBondContact O-N 3.04Š|
| 843 | L | 27.2 | Very low | 40.7 | Very low | 152 Ų | 152 | 123.7 Ų | 123.7 | 80% | 0.796 | 66% | 0.657 | S | S | * | * | trans | -51.4 | 103.2 | 163.9 | -68.1 | 126.1 | 0 | 0 | 0 | 110.4 | ||||
| 844 | T | 25 | Very low | 38 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 53% | 0.528 | 69% | 0.691 | S | S | . | * | trans | -103.6 | 106.4 | 156 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | G842 H846 | G842-T844 PolarHBondContact O-N 3.04Å; T844-H846 PolarHBondContact O-N 3.26Å; T844-H846 PolarHBondContact OG1-CD2 3.21Å; T844-H846 PolarHBondContact OG1-NE2 3.3Å | ||
| 845 | H | 26.1 | Very low | 35.4 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -53.5 | 93.5 | 156.2 | -83.8 | -92 | 0 | 0 | 0 | 107.2 | H847 | H845-H847 PolarHBondContact O-N 2.93Š| ||
| 846 | H | 26.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | -71.3 | 82.9 | 171.7 | -92 | -72.4 | 0 | 0 | 0 | 108.1 | T844 H848 | T844-H846 PolarHBondContact O-N 3.26Å; T844-H846 PolarHBondContact OG1-CD2 3.21Å; T844-H846 PolarHBondContact OG1-NE2 3.3Å; H846-H848 PolarHBondContact O-N 3.11Å | ||
| 847 | H | 25.2 | Very low | 30.6 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | -59.9 | 120.7 | 145.6 | -85.8 | -73.2 | 0 | 0 | 0 | 106.8 | H845 H849 | H845-H847 PolarHBondContact O-N 2.93Å; H847-H849 PolarHBondContact O-N 3.2Å | ||
| 848 | H | 26.6 | Very low | 29.1 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | -49.9 | 98.8 | 172.9 | -84.5 | -83.8 | 0 | 0 | 0 | 110.7 | H846 | H846-H848 PolarHBondContact O-N 3.11Š| ||
| 849 | H | 25 | Very low | 28 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -95 | 115.4 | 157.1 | -102.8 | -81 | 0 | 0 | 0 | 107.6 | H847 D851 | H847-H849 PolarHBondContact O-N 3.2Å; H849-D851 PolarHBondContact O-N 3.29Å | ||
| 850 | H | 25.6 | Very low | 27.1 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -54.2 | 109.4 | 172.8 | -78.3 | -99.8 | 0 | 0 | 0 | 110.5 | ||||
| 851 | D | 26.7 | Very low | 26.5 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -119.5 | 109.9 | 154.9 | -93.9 | -32 | 0 | 0 | 0 | 109.8 | H849 T853 | H849-D851 PolarHBondContact O-N 3.29Å; D851-T853 PolarHBondContact O-N 3.18Å; D851-T853 VanDerWaalsContact O-N 3.12Å | ||
| 852 | N | 24.2 | Very low | 26.3 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -63.9 | 98.4 | 178.1 | -79.4 | -34.7 | 0 | 0 | 0 | 110.5 | ||||
| 853 | T | 27.4 | Very low | 26.2 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -137.1 | 103.8 | 151.1 | 46.1 | 0 | 0 | 0 | 0 | 110.7 | D851 | D851-T853 PolarHBondContact O-N 3.18Å; D851-T853 VanDerWaalsContact O-N 3.12Å | ||
| 854 | N | 24.8 | Very low | 26.2 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | 13.1 | 134.1 | 157.7 | -68.3 | -24.9 | 0 | 0 | 0 | 120.8 | ||||
| 855 | H | 26.2 | Very low | 26.4 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 93.6 | 64.8 | 161.7 | -56.5 | -29.2 | 0 | 0 | 0 | 117.4 | ||||
| 856 | C | 28 | Very low | 26.6 | Very low | 135 Ų | 135 | 160 Ų | 160 | 91% | 0.912 | 82% | 0.823 | S | S | * | * | trans | -143.4 | 117.3 | 134.9 | -147.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 857 | G | 24.8 | Very low | 26.7 | Very low | 63 Ų | 63 | 160.2 Ų | 160.2 | 65% | 0.649 | 83% | 0.83 | S | S | * | * | trans | -78.8 | 147.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 858 | K | 26.1 | Very low | 27.1 | Very low | 198 Ų | 198 | 160.6 Ų | 160.6 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | trans | 53.6 | 74.7 | 152.3 | -66.1 | -176.8 | 177.2 | 178.3 | 0 | 117.5 | ||||
| 859 | Y | 28.4 | Very low | 27.5 | Very low | 226 Ų | 226 | 157.8 Ų | 157.8 | 89% | 0.886 | 83% | 0.827 | S | S | * | * | trans | -140.1 | 101.6 | 138 | -77.3 | -78.2 | 0 | 0 | 0 | 109.1 | C861 | Y859-C861 PolarHBondContact O-N 2.87Š| ||
| 860 | N | 23.3 | Very low | 27.8 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -73.3 | 100.2 | 168.2 | -90.2 | -8.2 | 0 | 0 | 0 | 107.9 | ||||
| 861 | C | 27.7 | Very low | 28.6 | Very low | 128 Ų | 128 | 151 Ų | 151 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -111.4 | 90.4 | 161.2 | -87.9 | 0 | 0 | 0 | 0 | 108.5 | Y859 | Y859-C861 PolarHBondContact O-N 2.87Š| ||
| 862 | S | 27.4 | Very low | 29.1 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -70.2 | 119.2 | 168.8 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | E864 | S862-E864 PolarHBondContact O-N 3.45Š| ||
| 863 | S | 27.2 | Very low | 30 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 26.6 | 91.4 | 143.5 | 176.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 864 | E | 29 | Very low | 30.6 | Very low | 195 Ų | 195 | 155.1 Ų | 155.1 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -114 | 128.4 | 154.1 | -81 | -172.6 | 160.3 | 0 | 0 | 110.5 | S862 | S862-E864 PolarHBondContact O-N 3.45Š| ||
| 865 | R | 29.3 | Very low | 30.9 | Very low | 233 Ų | 233 | 155.4 Ų | 155.4 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -68.5 | 137.5 | -173.5 | -78.9 | 174.7 | 173.1 | 168.6 | -2.6 | 111.6 | N867 | R865-N867 PolarHBondContact O-N 3.47Š| ||
| 866 | M | 29.5 | Very low | 31.2 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -50 | 114 | 166.6 | -77.4 | 176 | 179.2 | 0 | 0 | 111.8 | ||||
| 867 | N | 29.4 | Very low | 31.4 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -101.3 | 104 | 154.4 | -79.9 | -25 | 0 | 0 | 0 | 107.7 | R865 L869 | R865-N867 PolarHBondContact O-N 3.47Å; N867-L869 PolarHBondContact O-N 2.86Å; N867-L869 VanDerWaalsContact O-N 3.14Å | ||
| 868 | L | 33.7 | Very low | 31.7 | Very low | 167 Ų | 167 | 160.2 Ų | 160.2 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -63.9 | 104.4 | 168.2 | -85.8 | 135.1 | 0 | 0 | 0 | 108.7 | S870 | L868-S870 PolarHBondContact O-N 3.23Š| ||
| 869 | L | 33.7 | Very low | 32.1 | Very low | 126 Ų | 126 | 157.9 Ų | 157.9 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | trans | -70.1 | 124.8 | 169.5 | -86.9 | 144.8 | 0 | 0 | 0 | 109.5 | N867 | N867-L869 PolarHBondContact O-N 2.86Å; N867-L869 VanDerWaalsContact O-N 3.14Å | ||
| 870 | S | 32.4 | Very low | 32.3 | Very low | 81 Ų | 81 | 153.3 Ų | 153.3 | 57% | 0.566 | 82% | 0.815 | S | S | * | * | trans | -77.9 | 141.4 | -179.9 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L868 K872 D873 | L868-S870 PolarHBondContact O-N 3.23Å; S870-K872 PolarHBondContact O-N 3.12Å; S870-D873 PolarHBondContact O-N 3.19Å | ||
| 871 | V | 42.2 | Very low | 33 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | G | 310 helix | trans | -58.2 | -1.1 | -178.3 | 178.5 | 0 | 0 | 0 | 0 | 114.2 | D873 | V871-D873 VanDerWaalsContact C-N 3.32Š|
| 872 | K | 35.7 | Very low | 33.4 | Very low | 188 Ų | 188 | 154.2 Ų | 154.2 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -75 | -16.9 | 174 | -112 | -175.8 | 177.5 | -176.6 | 0 | 114.6 | S870 | S870-K872 PolarHBondContact O-N 3.12Š|
| 873 | D | 43.2 | Very low | 33.9 | Very low | 137 Ų | 137 | 158.2 Ų | 158.2 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | G | 310 helix | trans | -97 | 7.2 | -178 | -65 | -26.3 | 0 | 0 | 0 | 113.8 | S870 V871 | S870-D873 PolarHBondContact O-N 3.19Å; V871-D873 VanDerWaalsContact C-N 3.32Å |
| 874 | I | 41.4 | Very low | 34.5 | Very low | 206 Ų | 206 | 162.1 Ų | 162.1 | 100% | 1.056 | 81% | 0.811 | S | S | * | * | trans | -99.3 | 0 | 164.9 | -56.1 | 174.5 | 0 | 0 | 0 | 107.9 |
Retrieved 874 of 874 residues in 529.3 ms
(Link to these results)