| 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 | 44.3 | Very low | 80.9 | Confident | 207 Ų | 207 | 61.7 Ų | 61.7 | 100% | 1.02 | 35% | 0.353 | S | S | * | . | 0 | -43.5 | 0 | -65.6 | -160.9 | -74.8 | 0 | 0 | 112.2 | N3 S4 | M1-N3 PolarHBondContact O-N 3.44Å; M1-S4 PolarHBondContact O-N 3.15Å | |||
| 2 | A | 53.9 | Low | 82.2 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -56.7 | -41.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S4 T5 L6 | A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.49Å; A2-T5 PolarHBondContact O-N 3.43Å; A2-L6 PolarHBondContact O-N 2.84Å |
| 3 | N | 74.5 | Confident | 83.3 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 178.5 | -79 | 31.5 | 0 | 0 | 0 | 113.4 | M1 T5 L6 E7 C185 | M1-N3 PolarHBondContact O-N 3.44Å; N3-T5 VanDerWaalsContact C-N 3.35Å; N3-T5 PolarHBondContact O-N 3.23Å; N3-L6 PolarHBondContact O-N 2.95Å; N3-E7 WeakPolarHBondContact O-CB 3.45Å; N3-E7 WeakPolarHBondContact O-CG 3.29Å; N3-E7 PolarHBondContact O-N 3.39Å; N3-C185 PolarHBondContact ND2-O 2.85Å; N3-C185 VanDerWaalsContact ND2-O 3.16Å |
| 4 | S | 80.6 | Confident | 84.2 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | -177.8 | -40.5 | 0 | 0 | 0 | 0 | 111.6 | M1 A2 I8 Q103 | M1-S4 PolarHBondContact O-N 3.15Å; A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.49Å; S4-I8 WeakPolarHBondContact O-CD1 3.49Å; S4-I8 VanDerWaalsContact O-CG1 3.27Å; S4-I8 WeakPolarHBondContact O-CG1 3.41Å; S4-I8 PolarHBondContact O-N 2.8Å; S4-Q103 PolarHBondContact OG-OE1 2.86Å |
| 5 | T | 86.1 | Confident | 85.1 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | 175.5 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | A2 N3 I8 V9 | A2-T5 PolarHBondContact O-N 3.43Å; N3-T5 VanDerWaalsContact C-N 3.35Å; N3-T5 PolarHBondContact O-N 3.23Å; T5-I8 PolarHBondContact O-N 2.93Å; T5-V9 WeakPolarHBondContact O-CG2 3.18Å; T5-V9 PolarHBondContact O-N 3.19Å |
| 6 | L | 88.4 | Confident | 85.9 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 38% | 0.382 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 178.2 | -69.3 | 169.7 | 0 | 0 | 0 | 112.1 | A2 N3 I8 V9 G10 I181 | A2-L6 PolarHBondContact O-N 2.84Å; N3-L6 PolarHBondContact O-N 2.95Å; L6-I8 VanDerWaalsContact C-N 3.33Å; L6-I8 PolarHBondContact O-N 3.47Å; L6-V9 PolarHBondContact O-N 3.09Å; L6-G10 PolarHBondContact O-N 2.86Å; L6-I181 HydrophobicContact CB-CG2 4.32Å; L6-I181 VanDerWaalsContact O-CG2 3.24Å; L6-I181 WeakPolarHBondContact O-CG2 3.07Å |
| 7 | E | 89.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.019 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 172.5 | -76.8 | 169.7 | -155.4 | 0 | 0 | 111.6 | N3 G10 L11 Q103 L119 | N3-E7 WeakPolarHBondContact O-CB 3.45Å; N3-E7 WeakPolarHBondContact O-CG 3.29Å; N3-E7 PolarHBondContact O-N 3.39Å; E7-G10 PolarHBondContact O-N 3.19Å; E7-L11 WeakPolarHBondContact O-CB 3.4Å; E7-L11 PolarHBondContact O-N 3.29Å; E7-Q103 PolarHBondContact OE1-NE2 2.9Å; E7-L119 HydrophobicContact CG-CD1 4.23Å |
| 8 | I | 91.3 | Very high | 87.1 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 177.1 | -66.4 | 163.1 | 0 | 0 | 0 | 111 | S4 T5 L6 L11 L12 M102 | S4-I8 WeakPolarHBondContact O-CD1 3.49Å; S4-I8 VanDerWaalsContact O-CG1 3.27Å; S4-I8 WeakPolarHBondContact O-CG1 3.41Å; S4-I8 PolarHBondContact O-N 2.8Å; T5-I8 PolarHBondContact O-N 2.93Å; L6-I8 VanDerWaalsContact C-N 3.33Å; L6-I8 PolarHBondContact O-N 3.47Å; I8-L11 WeakPolarHBondContact O-CB 2.83Å; I8-L11 PolarHBondContact O-N 3.29Å; I8-L12 HydrophobicContact CG2-CD1 4.13Å; I8-L12 HydrophobicContact CG2-CG 4.42Å; I8-L12 WeakPolarHBondContact O-CG 3.22Å; I8-L12 PolarHBondContact O-N 2.78Å; I8-M102 HydrophobicContact CG1-CE 3.68Å |
| 9 | V | 93.6 | Very high | 87.7 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 38% | 0.376 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | T5 L6 L11 L12 L13 I181 | T5-V9 WeakPolarHBondContact O-CG2 3.18Å; T5-V9 PolarHBondContact O-N 3.19Å; L6-V9 PolarHBondContact O-N 3.09Å; V9-L11 VanDerWaalsContact C-N 3.3Å; V9-L11 PolarHBondContact O-N 3.07Å; V9-L12 PolarHBondContact O-N 3.15Å; V9-L13 HydrophobicContact CG1-CD1 3.81Å; V9-L13 HydrophobicContact CG1-CG 4.32Å; V9-L13 WeakPolarHBondContact O-CB 3.37Å; V9-L13 VanDerWaalsContact O-CG 3.29Å; V9-L13 WeakPolarHBondContact O-CG 3.26Å; V9-L13 PolarHBondContact O-N 2.8Å; V9-I181 HydrophobicContact CG1-CD1 4.37Å |
| 10 | G | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L6 E7 S14 | L6-G10 PolarHBondContact O-N 2.86Å; E7-G10 PolarHBondContact O-N 3.19Å; G10-S14 VanDerWaalsContact O-CB 3.29Å; G10-S14 WeakPolarHBondContact O-CB 3.36Å; G10-S14 PolarHBondContact O-N 3.2Å; G10-S14 PolarHBondContact O-OG 3.33Å |
| 11 | L | 94.4 | Very high | 88.5 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 175.3 | -172.2 | 101.1 | 0 | 0 | 0 | 111.8 | E7 I8 V9 S14 L15 L95 L99 M102 F182 | E7-L11 WeakPolarHBondContact O-CB 3.4Å; E7-L11 PolarHBondContact O-N 3.29Å; I8-L11 WeakPolarHBondContact O-CB 2.83Å; I8-L11 PolarHBondContact O-N 3.29Å; V9-L11 VanDerWaalsContact C-N 3.3Å; V9-L11 PolarHBondContact O-N 3.07Å; L11-S14 PolarHBondContact O-N 3.23Å; L11-L15 WeakPolarHBondContact O-CB 3.26Å; L11-L15 PolarHBondContact O-N 3.2Å; L11-L95 HydrophobicContact CD1-CD2 4.48Å; L11-L99 HydrophobicContact CD1-CD2 3.7Å; L11-L99 HydrophobicContact CD1-CG 3.98Å; L11-L99 HydrophobicContact CD2-CD2 3.92Å; L11-L99 HydrophobicContact CG-CD2 4.41Å; L11-M102 HydrophobicContact CD1-SD 3.78Å; L11-M102 HydrophobicContact CD2-SD 4.1Å; L11-M102 HydrophobicContact CG-SD 4.36Å; L11-F182 HydrophobicContact CB-CZ 4.04Å; L11-F182 HydrophobicContact CD1-CZ 4.38Å |
| 12 | L | 96.1 | Very high | 90.9 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 179.9 | -70.4 | 175.5 | 0 | 0 | 0 | 111.6 | I8 V9 L15 I16 | I8-L12 HydrophobicContact CG2-CD1 4.13Å; I8-L12 HydrophobicContact CG2-CG 4.42Å; I8-L12 WeakPolarHBondContact O-CG 3.22Å; I8-L12 PolarHBondContact O-N 2.78Å; V9-L12 PolarHBondContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 3.44Å |
| 13 | L | 96.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 20% | 0.199 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 175.8 | -70.3 | 169.5 | 0 | 0 | 0 | 111.3 | V9 L15 I16 G17 F174 A177 I181 | V9-L13 HydrophobicContact CG1-CD1 3.81Å; V9-L13 HydrophobicContact CG1-CG 4.32Å; V9-L13 WeakPolarHBondContact O-CB 3.37Å; V9-L13 VanDerWaalsContact O-CG 3.29Å; V9-L13 WeakPolarHBondContact O-CG 3.26Å; V9-L13 PolarHBondContact O-N 2.8Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 2.9Å; L13-I16 PolarHBondContact O-N 2.94Å; L13-G17 PolarHBondContact O-N 2.85Å; L13-F174 HydrophobicContact CD2-CD1 3.7Å; L13-F174 HydrophobicContact CD2-CE1 4.09Å; L13-A177 HydrophobicContact CD1-CB 4.35Å; L13-I181 HydrophobicContact CD1-CD1 3.65Å |
| 14 | S | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -36.3 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | G10 L11 L18 L95 G178 | G10-S14 VanDerWaalsContact O-CB 3.29Å; G10-S14 WeakPolarHBondContact O-CB 3.36Å; G10-S14 PolarHBondContact O-N 3.2Å; G10-S14 PolarHBondContact O-OG 3.33Å; L11-S14 PolarHBondContact O-N 3.23Å; S14-L18 WeakPolarHBondContact O-CB 3.37Å; S14-L18 PolarHBondContact O-N 3.16Å; S14-L95 VanDerWaalsContact CB-CD2 3.42Å; S14-G178 WeakPolarHBondContact OG-CA 3.37Å |
| 15 | L | 97.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 41.1 Ų | 41.1 | 40% | 0.403 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.4 | -47.3 | 175.3 | -179.8 | 65.6 | 0 | 0 | 0 | 111.7 | L11 L12 L13 G17 L18 I19 L95 | L11-L15 WeakPolarHBondContact O-CB 3.26Å; L11-L15 PolarHBondContact O-N 3.2Å; L12-L15 PolarHBondContact O-N 3.03Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 2.9Å; L15-G17 VanDerWaalsContact C-N 3.31Å; L15-G17 PolarHBondContact O-N 2.91Å; L15-L18 PolarHBondContact O-N 3.36Å; L15-I19 HydrophobicContact CD1-CD1 4.31Å; L15-I19 HydrophobicContact CG-CD1 4.12Å; L15-I19 VanDerWaalsContact O-CG1 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 3.36Å; L15-L95 HydrophobicContact CB-CD1 4.46Å; L15-L95 HydrophobicContact CD1-CD1 4.23Å |
| 16 | I | 97.6 | Very high | 94.7 | Very high | 89 Ų | 89 | 38.9 Ų | 38.9 | 46% | 0.456 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.8 | -67.2 | 164.4 | 0 | 0 | 0 | 110.1 | L12 L13 L18 I19 G20 F174 | L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 3.44Å; L13-I16 PolarHBondContact O-N 2.94Å; I16-L18 PolarHBondContact O-N 3.24Å; I16-I19 PolarHBondContact O-N 3.36Å; I16-G20 PolarHBondContact O-N 3.13Å; I16-F174 HydrophobicContact CG2-CD2 3.83Å; I16-F174 HydrophobicContact CG2-CE2 3.99Å; I16-F174 HydrophobicContact CG2-CG 4.42Å |
| 17 | G | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L13 L15 G20 A21 A171 | L13-G17 PolarHBondContact O-N 2.85Å; L15-G17 VanDerWaalsContact C-N 3.31Å; L15-G17 PolarHBondContact O-N 2.91Å; G17-G20 PolarHBondContact O-N 3.37Å; G17-A21 WeakPolarHBondContact O-CB 3.41Å; G17-A21 PolarHBondContact O-N 3.19Å; G17-A171 WeakPolarHBondContact O-CB 3.49Å |
| 18 | L | 97.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.8 | -176 | 67.4 | 0 | 0 | 0 | 112.1 | S14 L15 I16 G20 A21 A22 L88 A92 L95 | S14-L18 WeakPolarHBondContact O-CB 3.37Å; S14-L18 PolarHBondContact O-N 3.16Å; L15-L18 PolarHBondContact O-N 3.36Å; I16-L18 PolarHBondContact O-N 3.24Å; L18-G20 VanDerWaalsContact C-N 3.33Å; L18-A21 PolarHBondContact O-N 3.28Å; L18-A22 WeakPolarHBondContact O-CB 3.45Å; L18-A22 PolarHBondContact O-N 3.11Å; L18-L88 HydrophobicContact CD1-CD2 3.82Å; L18-A92 HydrophobicContact CD2-CB 4.14Å; L18-L95 HydrophobicContact CB-CD1 3.92Å; L18-L95 HydrophobicContact CD2-CD1 3.53Å; L18-L95 HydrophobicContact CG-CD1 4.34Å |
| 19 | I | 97.3 | Very high | 94.6 | Very high | 106 Ų | 106 | 37.5 Ų | 37.5 | 54% | 0.544 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.3 | -66.3 | 166.1 | 0 | 0 | 0 | 110.2 | L15 I16 A22 A23 | L15-I19 HydrophobicContact CD1-CD1 4.31Å; L15-I19 HydrophobicContact CG-CD1 4.12Å; L15-I19 VanDerWaalsContact O-CG1 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 3.36Å; I16-I19 PolarHBondContact O-N 3.36Å; I19-A22 PolarHBondContact O-N 3.29Å; I19-A23 WeakPolarHBondContact O-CB 3.42Å; I19-A23 PolarHBondContact O-N 3.08Å |
| 20 | G | 96.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I16 G17 L18 A22 A23 S24 | I16-G20 PolarHBondContact O-N 3.13Å; G17-G20 PolarHBondContact O-N 3.37Å; L18-G20 VanDerWaalsContact C-N 3.33Å; G20-A22 VanDerWaalsContact C-N 3.33Å; G20-A22 PolarHBondContact O-N 2.81Å; G20-A23 PolarHBondContact O-N 3.38Å; G20-S24 WeakPolarHBondContact O-CB 3.36Å; G20-S24 PolarHBondContact O-N 2.95Å |
| 21 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G17 L18 S24 T25 L88 A171 L175 | G17-A21 WeakPolarHBondContact O-CB 3.41Å; G17-A21 PolarHBondContact O-N 3.19Å; L18-A21 PolarHBondContact O-N 3.28Å; A21-S24 PolarHBondContact O-N 3.1Å; A21-T25 WeakPolarHBondContact O-CB 3.47Å; A21-T25 PolarHBondContact O-N 3.48Å; A21-T25 PolarHBondContact O-OG1 3.29Å; A21-L88 HydrophobicContact CB-CD2 4.01Å; A21-A171 HydrophobicContact CB-CB 4.36Å; A21-L175 HydrophobicContact CB-CD1 4.45Å |
| 22 | A | 96.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L18 I19 G20 T25 G26 L88 | L18-A22 WeakPolarHBondContact O-CB 3.45Å; L18-A22 PolarHBondContact O-N 3.11Å; I19-A22 PolarHBondContact O-N 3.29Å; G20-A22 VanDerWaalsContact C-N 3.33Å; G20-A22 PolarHBondContact O-N 2.81Å; A22-T25 PolarHBondContact O-N 2.82Å; A22-G26 PolarHBondContact O-N 3.05Å; A22-L88 HydrophobicContact CB-CD2 3.83Å |
| 23 | A | 95.6 | Very high | 93 | Very high | 43 Ų | 43 | 31.6 Ų | 31.6 | 36% | 0.355 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I19 G20 T25 G26 M27 | I19-A23 WeakPolarHBondContact O-CB 3.42Å; I19-A23 PolarHBondContact O-N 3.08Å; G20-A23 PolarHBondContact O-N 3.38Å; A23-T25 VanDerWaalsContact C-N 3.32Å; A23-T25 PolarHBondContact O-N 3.42Å; A23-G26 PolarHBondContact O-N 3.34Å; A23-G26 VanDerWaalsContact O-N 3.16Å; A23-M27 HydrophobicContact CB-CE 4.45Å; A23-M27 WeakPolarHBondContact O-CE 3.48Å; A23-M27 VanDerWaalsContact O-CG 3.28Å; A23-M27 WeakPolarHBondContact O-CG 3.27Å; A23-M27 PolarHBondContact O-N 3.43Å |
| 24 | S | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.6 | -48 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | G20 A21 G26 M27 W30 A164 | G20-S24 WeakPolarHBondContact O-CB 3.36Å; G20-S24 PolarHBondContact O-N 2.95Å; A21-S24 PolarHBondContact O-N 3.1Å; S24-G26 VanDerWaalsContact C-N 3.3Å; S24-G26 PolarHBondContact O-N 3.33Å; S24-M27 PolarHBondContact O-N 3.28Å; S24-W30 PolarHBondContact O-NE1 2.94Å; S24-A164 PolarHBondContact OG-O 3.06Å |
| 25 | T | 93.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -39 | 178 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | A21 A22 A23 L50 W51 M84 L88 | A21-T25 WeakPolarHBondContact O-CB 3.47Å; A21-T25 PolarHBondContact O-N 3.48Å; A21-T25 PolarHBondContact O-OG1 3.29Å; A22-T25 PolarHBondContact O-N 2.82Å; A23-T25 VanDerWaalsContact C-N 3.32Å; A23-T25 PolarHBondContact O-N 3.42Å; T25-L50 HydrophobicContact CG2-CD2 4.17Å; T25-W51 HydrophobicContact CG2-CZ2 4.38Å; T25-W51 PolarHBondContact O-NE1 2.99Å; T25-M84 HydrophobicContact CG2-CB 4.15Å; T25-M84 WeakPolarHBondContact OG1-CE 3.21Å; T25-L88 HydrophobicContact CG2-CD1 4.12Å |
| 26 | G | 90.6 | Very high | 88.8 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 44% | 0.443 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -82 | -25.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A22 A23 S24 | A22-G26 PolarHBondContact O-N 3.05Å; A23-G26 PolarHBondContact O-N 3.34Å; A23-G26 VanDerWaalsContact O-N 3.16Å; S24-G26 VanDerWaalsContact C-N 3.3Å; S24-G26 PolarHBondContact O-N 3.33Å |
| 27 | M | 90.6 | Very high | 87 | Confident | 40 Ų | 40 | 31 Ų | 31 | 20% | 0.197 | 19% | 0.193 | C | C | . | . | trans | -72.4 | 142.1 | -174.4 | -79.3 | -176.1 | -64.7 | 0 | 0 | 112.9 | A23 S24 M29 A164 I167 | A23-M27 HydrophobicContact CB-CE 4.45Å; A23-M27 WeakPolarHBondContact O-CE 3.48Å; A23-M27 VanDerWaalsContact O-CG 3.28Å; A23-M27 WeakPolarHBondContact O-CG 3.27Å; A23-M27 PolarHBondContact O-N 3.43Å; S24-M27 PolarHBondContact O-N 3.28Å; M27-M29 PolarHBondContact O-N 3.2Å; M27-A164 HydrophobicContact CB-CB 3.95Å; M27-A164 HydrophobicContact CE-CB 3.75Å; M27-I167 HydrophobicContact CE-CB 4.1Å; M27-I167 HydrophobicContact CE-CD1 3.5Å; M27-I167 VanDerWaalsContact CE-CD1 3.5Å; M27-I167 HydrophobicContact CE-CG1 4.35Å; M27-I167 HydrophobicContact CE-CG2 4.15Å; M27-I167 HydrophobicContact SD-CD1 4.05Å | ||
| 28 | P | 88.1 | Confident | 84.9 | Confident | 24 Ų | 24 | 40.7 Ų | 40.7 | 16% | 0.156 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -82 | 6.3 | 177.8 | 33.9 | -35.5 | 0 | 0 | 0 | 114.4 | Y47 E48 G49 M52 | P28-Y47 CarbonylContact O-C 3.44Å; P28-E48 CarbonylContact O-C 3.19Å; P28-E48 VanDerWaalsContact O-O 3.12Å; P28-G49 VanDerWaalsContact C-CA 3.49Å; P28-G49 VanDerWaalsContact CA-CA 3.45Å; P28-G49 WeakPolarHBondContact O-CA 3.43Å; P28-G49 PolarHBondContact O-N 3.44Å; P28-M52 HydrophobicContact CB-CG 3.74Å; P28-M52 HydrophobicContact CB-SD 4.27Å |
| 29 | M | 88.6 | Confident | 83.1 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | trans | -106.8 | 50.7 | -168.5 | -62.2 | 148.3 | 179.3 | 0 | 0 | 111.3 | M27 Y47 G162 E163 A164 | M27-M29 PolarHBondContact O-N 3.2Å; M29-Y47 HydrophobicContact CG-CD1 4.1Å; M29-G162 CarbonylContact O-C 3.48Å; M29-G162 WeakPolarHBondContact O-CA 3.35Å; M29-E163 PolarHBondContact O-N 2.97Å; M29-A164 HydrophobicContact CB-CB 4.48Å; M29-A164 WeakPolarHBondContact O-CB 3.22Å; M29-A164 PolarHBondContact O-N 2.94Å | ||
| 30 | W | 90.2 | Very high | 81.4 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -84.6 | -44.8 | 176 | -82.5 | 57.3 | 0 | 0 | 0 | 111.5 | S24 E48 L50 M84 V137 T140 G162 A164 L165 | S24-W30 PolarHBondContact O-NE1 2.94Å; W30-E48 WeakPolarHBondContact CB-O 3.42Å; W30-E48 PolarHBondContact N-O 2.77Å; W30-E48 VanDerWaalsContact N-O 3.09Å; W30-L50 HydrophobicContact CD2-CD1 4.34Å; W30-L50 HydrophobicContact CE3-CD1 4.3Å; W30-L50 HydrophobicContact CH2-CD1 4.39Å; W30-L50 HydrophobicContact CZ2-CD1 4.42Å; W30-L50 HydrophobicContact CZ2-CD2 4.28Å; W30-L50 HydrophobicContact CZ3-CD1 4.32Å; W30-M84 HydrophobicContact CH2-CE 4.04Å; W30-M84 HydrophobicContact CH2-CG 3.73Å; W30-M84 HydrophobicContact CH2-SD 3.73Å; W30-M84 HydrophobicContact CZ2-CE 3.85Å; W30-M84 HydrophobicContact CZ2-CG 4.06Å; W30-M84 HydrophobicContact CZ2-SD 4.15Å; W30-V137 HydrophobicContact CH2-CG2 3.98Å; W30-V137 HydrophobicContact CZ3-CG2 4.38Å; W30-T140 HydrophobicContact CE3-CG2 4.21Å; W30-T140 HydrophobicContact CZ3-CG2 4.22Å; W30-G162 PolarHBondContact O-N 3.28Å; W30-A164 HydrophobicContact CG-CB 4.28Å; W30-L165 HydrophobicContact CD2-CD2 4.37Å; W30-L165 HydrophobicContact CE3-CD2 3.83Å; W30-L165 HydrophobicContact CZ3-CD2 4.17Å; W30-L165 VanDerWaalsContact O-CD1 3.26Å; W30-L165 WeakPolarHBondContact O-CD1 3.4Å |
| 31 | R | 86.9 | Confident | 79.8 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.5 | 177.6 | -45.8 | 169.4 | 70.2 | -164.5 | 19.4 | 108.3 | E48 I144 R159 | R31-E48 HydrophobicContact CB-CB 4.19Å; R31-E48 IonicContact CZ-OE2 2.65Å; R31-E48 PolarHBondContact N-O 3.44Å; R31-E48 IonicContact NE-OE2 3.56Å; R31-E48 IonicContact NH1-OE2 3.84Å; R31-E48 PolarHBondContact NH1-OE2 3.3Å; R31-E48 PolarHBondContact O-N 3.03Å; R31-I144 HydrophobicContact CG-CD1 4.1Å; R31-R159 VanDerWaalsContact NH2-NE 3.15Å; R31-R159 VanDerWaalsContact NH2-NH1 3.16Å |
| 32 | V | 85.6 | Confident | 78.3 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.5 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | T45 R46 Y47 R159 E160 | V32-T45 HydrophobicContact CG1-CG2 3.77Å; V32-R46 CarbonylContact C-O 3.58Å; V32-R46 WeakPolarHBondContact CA-O 3.24Å; V32-Y47 HydrophobicContact CG1-CD1 4.18Å; V32-Y47 HydrophobicContact CG1-CE1 3.92Å; V32-Y47 HydrophobicContact CG2-CD1 3.72Å; V32-Y47 HydrophobicContact CG2-CE1 3.94Å; V32-R159 CarbonylContact O-C 3.57Å; V32-R159 WeakPolarHBondContact O-CA 3.4Å; V32-E160 HydrophobicContact CB-CB 4.26Å; V32-E160 PolarHBondContact N-O 3.39Å; V32-E160 VanDerWaalsContact N-O 3.08Å; V32-E160 PolarHBondContact O-N 3.11Å |
| 33 | T | 80.6 | Confident | 76.9 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.043 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.8 | 173.7 | 44.1 | 0 | 0 | 0 | 0 | 108.5 | T45 R46 R159 | T33-T45 CarbonylContact O-C 3.57Å; T33-T45 WeakPolarHBondContact O-CA 3.42Å; T33-R46 PolarHBondContact N-O 2.98Å; T33-R46 PolarHBondContact O-N 3.31Å; T33-R46 WeakPolarHBondContact OG1-CB 3.39Å; T33-R46 PolarHBondContact OG1-O 2.89Å; T33-R159 HydrophobicContact CG2-CB 4.16Å; T33-R159 HydrophobicContact CG2-CG 3.32Å |
| 34 | A | 74.3 | Confident | 76 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | I36 | A34-I36 HydrophobicContact CB-CD1 3.56Å; A34-I36 HydrophobicContact CB-CG1 4.1Å; A34-I36 PolarHBondContact O-N 3.35Å; A34-I36 VanDerWaalsContact O-N 3.11Å |
| 35 | F | 67.9 | Low | 75.4 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 18% | 0.18 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 89.7 | 176.6 | -66.5 | -85.5 | 0 | 0 | 0 | 108.8 | I40 E44 R46 Q157 | F35-I40 HydrophobicContact CB-CD1 3.96Å; F35-I40 HydrophobicContact CD1-CD1 4.25Å; F35-E44 PolarHBondContact N-O 3.22Å; F35-R46 HydrophobicContact CD2-CG 4.1Å; F35-R46 HydrophobicContact CE2-CB 4.31Å; F35-R46 VanDerWaalsContact CE2-CD 3.45Å; F35-R46 HydrophobicContact CE2-CG 3.67Å; F35-Q157 HydrophobicContact CE1-CG 4.49Å |
| 36 | I | 61.2 | Low | 75 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 55% | 0.554 | 34% | 0.342 | S | S | * | . | trans | -125.5 | 93.7 | -179 | -55.8 | 156.5 | 0 | 0 | 0 | 105.9 | A34 F43 | A34-I36 HydrophobicContact CB-CD1 3.56Å; A34-I36 HydrophobicContact CB-CG1 4.1Å; A34-I36 PolarHBondContact O-N 3.35Å; A34-I36 VanDerWaalsContact O-N 3.11Å; I36-F43 HydrophobicContact CB-CD1 4.34Å; I36-F43 HydrophobicContact CB-CE1 4.47Å; I36-F43 HydrophobicContact CG1-CD1 4.12Å; I36-F43 HydrophobicContact CG2-CD1 4.12Å; I36-F43 HydrophobicContact CG2-CE1 3.81Å | ||
| 37 | G | 58.4 | Low | 74.9 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | trans | -147.1 | 149.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | N39 I40 | G37-N39 PolarHBondContact O-N 3.04Å; G37-N39 VanDerWaalsContact O-N 3.13Å; G37-I40 PolarHBondContact O-N 3.36Å | ||
| 38 | E | 53.6 | Low | 74.7 | Confident | 205 Ų | 205 | 65.9 Ų | 65.9 | 96% | 0.958 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.9 | -176.6 | -61.9 | -176 | 168.7 | 0 | 0 | 113.6 | ||
| 39 | N | 59.8 | Low | 74.8 | Confident | 166 Ų | 166 | 64.8 Ų | 64.8 | 89% | 0.888 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.5 | 176.5 | -71 | -42.6 | 0 | 0 | 0 | 114.2 | G37 | G37-N39 PolarHBondContact O-N 3.04Å; G37-N39 VanDerWaalsContact O-N 3.13Å |
| 40 | I | 61.4 | Low | 74.7 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | trans | -104.6 | 113.1 | -175.3 | -51.8 | -176.5 | 0 | 0 | 0 | 109.5 | F35 G37 V42 A156 | F35-I40 HydrophobicContact CB-CD1 3.96Å; F35-I40 HydrophobicContact CD1-CD1 4.25Å; G37-I40 PolarHBondContact O-N 3.36Å; I40-V42 WeakPolarHBondContact CG2-O 3.13Å; I40-V42 PolarHBondContact O-N 3.41Å; I40-A156 HydrophobicContact CD1-CB 3.83Å | ||
| 41 | I | 62.8 | Low | 74.7 | Confident | 173 Ų | 173 | 67 Ų | 67 | 89% | 0.887 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -68.4 | -14.9 | -173.3 | -57 | 164 | 0 | 0 | 0 | 112.2 | ||
| 42 | V | 63.3 | Low | 74.8 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 38% | 0.376 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -141.2 | 125.6 | -178.4 | -175.1 | 0 | 0 | 0 | 0 | 112 | I40 E44 Q57 | I40-V42 WeakPolarHBondContact CG2-O 3.13Å; I40-V42 PolarHBondContact O-N 3.41Å; V42-E44 PolarHBondContact O-N 3.26Å; V42-Q57 HydrophobicContact CG1-CG 3.62Å |
| 43 | F | 67.6 | Low | 74.9 | Confident | 136 Ų | 136 | 68.8 Ų | 68.8 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | trans | -70 | 116.5 | 170.2 | -59.4 | -76.7 | 0 | 0 | 0 | 110.9 | I36 A58 | I36-F43 HydrophobicContact CB-CD1 4.34Å; I36-F43 HydrophobicContact CB-CE1 4.47Å; I36-F43 HydrophobicContact CG1-CD1 4.12Å; I36-F43 HydrophobicContact CG2-CD1 4.12Å; I36-F43 HydrophobicContact CG2-CE1 3.81Å; F43-A58 PolarHBondContact O-N 3.13Å | ||
| 44 | E | 75.6 | Confident | 75.2 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.3 | 178.5 | -176.2 | 179.2 | -139.2 | 0 | 0 | 110 | F35 V42 R46 Y55 R56 | F35-E44 PolarHBondContact N-O 3.22Å; V42-E44 PolarHBondContact O-N 3.26Å; E44-R46 HydrophobicContact CG-CG 4.19Å; E44-R46 IonicContact OE2-CZ 2.9Å; E44-R46 IonicContact OE2-NE 2.75Å; E44-R46 PolarHBondContact OE2-NE 3.03Å; E44-R46 IonicContact OE2-NH2 2.91Å; E44-R46 PolarHBondContact OE2-NH2 3.46Å; E44-Y55 VanDerWaalsContact OE1-CD1 3.22Å; E44-Y55 WeakPolarHBondContact OE1-CD1 3.42Å; E44-R56 WeakPolarHBondContact CA-O 3.37Å |
| 45 | T | 82.4 | Confident | 75.8 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.9 | 168.8 | -46.3 | 0 | 0 | 0 | 0 | 108.9 | V32 T33 Y47 R56 | V32-T45 HydrophobicContact CG1-CG2 3.77Å; T33-T45 CarbonylContact O-C 3.57Å; T33-T45 WeakPolarHBondContact O-CA 3.42Å; T45-Y47 HydrophobicContact CG2-CD2 4.41Å; T45-Y47 HydrophobicContact CG2-CE1 4.39Å; T45-Y47 HydrophobicContact CG2-CE2 3.71Å; T45-R56 PolarHBondContact N-O 3.47Å; T45-R56 PolarHBondContact O-N 2.91Å |
| 46 | R | 85 | Confident | 76.5 | Confident | 88 Ų | 88 | 73 Ų | 73 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.9 | 175.3 | -54.5 | -171.9 | -178.5 | -179.3 | -2.9 | 110.4 | V32 T33 F35 E44 Y55 | V32-R46 CarbonylContact C-O 3.58Å; V32-R46 WeakPolarHBondContact CA-O 3.24Å; T33-R46 PolarHBondContact N-O 2.98Å; T33-R46 PolarHBondContact O-N 3.31Å; T33-R46 WeakPolarHBondContact OG1-CB 3.39Å; T33-R46 PolarHBondContact OG1-O 2.89Å; F35-R46 HydrophobicContact CD2-CG 4.1Å; F35-R46 HydrophobicContact CE2-CB 4.31Å; F35-R46 VanDerWaalsContact CE2-CD 3.45Å; F35-R46 HydrophobicContact CE2-CG 3.67Å; E44-R46 HydrophobicContact CG-CG 4.19Å; E44-R46 IonicContact OE2-CZ 2.9Å; E44-R46 IonicContact OE2-NE 2.75Å; E44-R46 PolarHBondContact OE2-NE 3.03Å; E44-R46 IonicContact OE2-NH2 2.91Å; E44-R46 PolarHBondContact OE2-NH2 3.46Å; R46-Y55 HydrophobicContact CB-CD1 4.41Å; R46-Y55 HydrophobicContact CG-CD1 3.59Å; R46-Y55 HydrophobicContact CG-CE1 3.84Å |
| 47 | Y | 88.2 | Confident | 77.4 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.7 | 173.8 | -59.1 | -92.3 | 0 | 0 | 0 | 107.5 | P28 M29 V32 T45 N53 C54 R56 M62 | P28-Y47 CarbonylContact O-C 3.44Å; M29-Y47 HydrophobicContact CG-CD1 4.1Å; V32-Y47 HydrophobicContact CG1-CD1 4.18Å; V32-Y47 HydrophobicContact CG1-CE1 3.92Å; V32-Y47 HydrophobicContact CG2-CD1 3.72Å; V32-Y47 HydrophobicContact CG2-CE1 3.94Å; T45-Y47 HydrophobicContact CG2-CD2 4.41Å; T45-Y47 HydrophobicContact CG2-CE1 4.39Å; T45-Y47 HydrophobicContact CG2-CE2 3.71Å; Y47-N53 CarbonylContact O-C 3.6Å; Y47-N53 WeakPolarHBondContact O-CA 3.48Å; Y47-C54 PolarHBondContact N-O 3.22Å; Y47-C54 PolarHBondContact O-N 3.43Å; Y47-R56 HydrophobicContact CE2-CB 4.08Å; Y47-M62 HydrophobicContact CD2-CE 4.05Å; Y47-M62 HydrophobicContact CE2-CE 3.77Å; Y47-M62 HydrophobicContact CE2-SD 4.49Å |
| 48 | E | 87.9 | Confident | 77.9 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.1 | 174.8 | -55.8 | -172.7 | 142.1 | 0 | 0 | 108.8 | P28 W30 R31 | P28-E48 CarbonylContact O-C 3.19Å; P28-E48 VanDerWaalsContact O-O 3.12Å; W30-E48 WeakPolarHBondContact CB-O 3.42Å; W30-E48 PolarHBondContact N-O 2.77Å; W30-E48 VanDerWaalsContact N-O 3.09Å; R31-E48 HydrophobicContact CB-CB 4.19Å; R31-E48 IonicContact CZ-OE2 2.65Å; R31-E48 PolarHBondContact N-O 3.44Å; R31-E48 IonicContact NE-OE2 3.56Å; R31-E48 IonicContact NH1-OE2 3.84Å; R31-E48 PolarHBondContact NH1-OE2 3.3Å; R31-E48 PolarHBondContact O-N 3.03Å |
| 49 | G | 89.4 | Confident | 78.5 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | trans | -97.7 | 176.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P28 M52 | P28-G49 VanDerWaalsContact C-CA 3.49Å; P28-G49 VanDerWaalsContact CA-CA 3.45Å; P28-G49 WeakPolarHBondContact O-CA 3.43Å; P28-G49 PolarHBondContact O-N 3.44Å; G49-M52 WeakPolarHBondContact CA-O 3.46Å; G49-M52 PolarHBondContact N-O 3.35Å | ||
| 50 | L | 87.1 | Confident | 78.8 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -70.3 | -38.7 | 170.6 | -147.1 | 69.9 | 0 | 0 | 0 | 111.2 | T25 W30 A80 R81 M84 | T25-L50 HydrophobicContact CG2-CD2 4.17Å; W30-L50 HydrophobicContact CD2-CD1 4.34Å; W30-L50 HydrophobicContact CE3-CD1 4.3Å; W30-L50 HydrophobicContact CH2-CD1 4.39Å; W30-L50 HydrophobicContact CZ2-CD1 4.42Å; W30-L50 HydrophobicContact CZ2-CD2 4.28Å; W30-L50 HydrophobicContact CZ3-CD1 4.32Å; L50-A80 HydrophobicContact CD1-CB 3.84Å; L50-R81 HydrophobicContact CD1-CG 4.12Å; L50-R81 HydrophobicContact CD2-CB 4.41Å; L50-R81 HydrophobicContact CD2-CG 3.89Å; L50-R81 HydrophobicContact CG-CG 3.55Å; L50-R81 PolarHBondContact O-NE 2.72Å; L50-R81 PolarHBondContact O-NH2 2.97Å; L50-M84 HydrophobicContact CD2-CB 4.12Å; L50-M84 HydrophobicContact CD2-CG 3.99Å |
| 51 | W | 89.1 | Confident | 79.5 | Confident | 107 Ų | 107 | 75.7 Ų | 75.7 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -111.2 | -21.2 | -173.9 | -57.8 | 95 | 0 | 0 | 0 | 115.4 | T25 Y67 | T25-W51 HydrophobicContact CG2-CZ2 4.38Å; T25-W51 PolarHBondContact O-NE1 2.99Å; W51-Y67 WeakPolarHBondContact O-CD2 2.91Å; W51-Y67 PolarHBondContact O-N 2.89Å |
| 52 | M | 88.7 | Confident | 80.4 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 155.4 | -177.1 | 67.1 | -173.5 | 77.1 | 0 | 0 | 109.7 | P28 G49 C64 K65 V66 | P28-M52 HydrophobicContact CB-CG 3.74Å; P28-M52 HydrophobicContact CB-SD 4.27Å; G49-M52 WeakPolarHBondContact CA-O 3.46Å; G49-M52 PolarHBondContact N-O 3.35Å; M52-C64 HydrophobicContact SD-CB 4.35Å; M52-K65 WeakPolarHBondContact CA-O 3.39Å; M52-K65 WeakPolarHBondContact CB-O 3.46Å; M52-V66 HydrophobicContact CB-CG2 4.37Å |
| 53 | N | 87.8 | Confident | 81.5 | Confident | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.112 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 141 | 167.5 | 53.7 | 12.1 | 0 | 0 | 0 | 109.6 | Y47 Y55 C64 K65 Y67 | Y47-N53 CarbonylContact O-C 3.6Å; Y47-N53 WeakPolarHBondContact O-CA 3.48Å; N53-Y55 HydrophobicContact CB-CE2 4.09Å; N53-Y55 PolarHBondContact ND2-OH 3.27Å; N53-C64 CarbonylContact O-C 3.54Å; N53-C64 VanDerWaalsContact O-CA 3.31Å; N53-C64 WeakPolarHBondContact O-CA 3.37Å; N53-K65 PolarHBondContact N-O 2.98Å; N53-K65 PolarHBondContact O-N 3.1Å; N53-K65 WeakPolarHBondContact OD1-CB 3.24Å; N53-K65 PolarHBondContact OD1-O 3.34Å; N53-Y67 HydrophobicContact CB-CE1 4.3Å |
| 54 | C | 88.6 | Confident | 82.6 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.8 | 177.5 | -59 | 0 | 0 | 0 | 0 | 110.2 | Y47 Q63 C64 | Y47-C54 PolarHBondContact N-O 3.22Å; Y47-C54 PolarHBondContact O-N 3.43Å; C54-Q63 CarbonylContact C-O 3.05Å; C54-Q63 WeakPolarHBondContact CA-O 3.36Å; C54-C64 HydrophobicContact CB-CB 4.14Å; C54-C64 WeakPolarHBondContact CB-SG 3.23Å; C54-C64 WeakPolarHBondContact SG-CB 3.49Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.41Å |
| 55 | Y | 86.1 | Confident | 83.1 | Confident | 67 Ų | 67 | 76.2 Ų | 76.2 | 26% | 0.263 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.5 | -178.4 | -58.7 | -99.7 | 0 | 0 | 0 | 108.9 | E44 R46 N53 M62 Q63 | E44-Y55 VanDerWaalsContact OE1-CD1 3.22Å; E44-Y55 WeakPolarHBondContact OE1-CD1 3.42Å; R46-Y55 HydrophobicContact CB-CD1 4.41Å; R46-Y55 HydrophobicContact CG-CD1 3.59Å; R46-Y55 HydrophobicContact CG-CE1 3.84Å; N53-Y55 HydrophobicContact CB-CE2 4.09Å; N53-Y55 PolarHBondContact ND2-OH 3.27Å; Y55-M62 WeakPolarHBondContact O-CA 3.29Å; Y55-Q63 PolarHBondContact N-O 3.48Å; Y55-Q63 PolarHBondContact O-N 2.95Å |
| 56 | R | 83.1 | Confident | 83.4 | Confident | 84 Ų | 84 | 79 Ų | 79 | 32% | 0.317 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 100.7 | 175.5 | -162.5 | 168.5 | -172.7 | -109.9 | -8.7 | 109.2 | E44 T45 Y47 N59 M62 | E44-R56 WeakPolarHBondContact CA-O 3.37Å; T45-R56 PolarHBondContact N-O 3.47Å; T45-R56 PolarHBondContact O-N 2.91Å; Y47-R56 HydrophobicContact CE2-CB 4.08Å; R56-N59 PolarHBondContact NH1-OD1 2.93Å; R56-N59 PolarHBondContact NH2-OD1 3.31Å; R56-M62 HydrophobicContact CB-CE 4.39Å; R56-M62 HydrophobicContact CB-SD 3.34Å; R56-M62 WeakPolarHBondContact CB-SD 3.47Å; R56-M62 WeakPolarHBondContact CD-SD 3.46Å; R56-M62 HydrophobicContact CG-CE 4.47Å; R56-M62 HydrophobicContact CG-CG 4.41Å; R56-M62 HydrophobicContact CG-SD 3.37Å; R56-M62 WeakPolarHBondContact CG-SD 3.36Å |
| 57 | Q | 80.2 | Confident | 83.3 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.5 | 178.6 | -165.7 | 159.9 | -19.9 | 0 | 0 | 110.4 | V42 N59 I60 | V42-Q57 HydrophobicContact CG1-CG 3.62Å; Q57-N59 PolarHBondContact O-N 2.97Å; Q57-I60 PolarHBondContact O-N 3.38Å |
| 58 | A | 68.9 | Low | 82.6 | Confident | 57 Ų | 57 | 80.5 Ų | 80.5 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 33.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | F43 I60 | F43-A58 PolarHBondContact O-N 3.13Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.39Å |
| 59 | N | 66.3 | Low | 81.5 | Confident | 118 Ų | 118 | 81.7 Ų | 81.7 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -2.4 | 178.8 | -61 | -70 | 0 | 0 | 0 | 118.4 | R56 Q57 | R56-N59 PolarHBondContact NH1-OD1 2.93Å; R56-N59 PolarHBondContact NH2-OD1 3.31Å; Q57-N59 PolarHBondContact O-N 2.97Å |
| 60 | I | 66.3 | Low | 80.1 | Confident | 151 Ų | 151 | 86.9 Ų | 86.9 | 77% | 0.774 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -31.5 | -167.3 | -60.8 | 169.4 | 0 | 0 | 0 | 114 | Q57 A58 | Q57-I60 PolarHBondContact O-N 3.38Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.39Å |
| 61 | R | 75.1 | Confident | 78.8 | Confident | 191 Ų | 191 | 94.4 Ų | 94.4 | 72% | 0.721 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 126.6 | 180 | -131.7 | 172.6 | 173.9 | 174.7 | -2.1 | 111.6 | ||
| 62 | M | 82.1 | Confident | 77.2 | Confident | 94 Ų | 94 | 93.6 Ų | 93.6 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.4 | 167.3 | -72.4 | -68.7 | -114.4 | 0 | 0 | 108.3 | Y47 Y55 R56 | Y47-M62 HydrophobicContact CD2-CE 4.05Å; Y47-M62 HydrophobicContact CE2-CE 3.77Å; Y47-M62 HydrophobicContact CE2-SD 4.49Å; Y55-M62 WeakPolarHBondContact O-CA 3.29Å; R56-M62 HydrophobicContact CB-CE 4.39Å; R56-M62 HydrophobicContact CB-SD 3.34Å; R56-M62 WeakPolarHBondContact CB-SD 3.47Å; R56-M62 WeakPolarHBondContact CD-SD 3.46Å; R56-M62 HydrophobicContact CG-CE 4.47Å; R56-M62 HydrophobicContact CG-CG 4.41Å; R56-M62 HydrophobicContact CG-SD 3.37Å; R56-M62 WeakPolarHBondContact CG-SD 3.36Å |
| 63 | Q | 85.9 | Confident | 76.1 | Confident | 127 Ų | 127 | 91.9 Ų | 91.9 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.9 | 173.1 | -64.5 | -170.1 | 2.4 | 0 | 0 | 109 | C54 Y55 | C54-Q63 CarbonylContact C-O 3.05Å; C54-Q63 WeakPolarHBondContact CA-O 3.36Å; Y55-Q63 PolarHBondContact N-O 3.48Å; Y55-Q63 PolarHBondContact O-N 2.95Å |
| 64 | C | 89.8 | Confident | 75.4 | Confident | 78 Ų | 78 | 94 Ų | 94 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.4 | 175.7 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | M52 N53 C54 | M52-C64 HydrophobicContact SD-CB 4.35Å; N53-C64 CarbonylContact O-C 3.54Å; N53-C64 VanDerWaalsContact O-CA 3.31Å; N53-C64 WeakPolarHBondContact O-CA 3.37Å; C54-C64 HydrophobicContact CB-CB 4.14Å; C54-C64 WeakPolarHBondContact CB-SG 3.23Å; C54-C64 WeakPolarHBondContact SG-CB 3.49Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.41Å |
| 65 | K | 87.8 | Confident | 74.9 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.9 | 174.9 | -167.3 | -176.9 | 175 | -171.6 | 0 | 109.1 | M52 N53 D68 | M52-K65 WeakPolarHBondContact CA-O 3.39Å; M52-K65 WeakPolarHBondContact CB-O 3.46Å; N53-K65 PolarHBondContact N-O 2.98Å; N53-K65 PolarHBondContact O-N 3.1Å; N53-K65 WeakPolarHBondContact OD1-CB 3.24Å; N53-K65 PolarHBondContact OD1-O 3.34Å; K65-D68 WeakPolarHBondContact CE-OD2 3.29Å; K65-D68 IonicContact NZ-OD2 2.78Å; K65-D68 PolarHBondContact NZ-OD2 2.94Å |
| 66 | V | 88 | Confident | 74.6 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 144.4 | 172.4 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | M52 D68 | M52-V66 HydrophobicContact CB-CG2 4.37Å; V66-D68 PolarHBondContact O-N 3.4Å; V66-D68 VanDerWaalsContact O-N 3.14Å |
| 67 | Y | 82.8 | Confident | 74.4 | Confident | 44 Ų | 44 | 99 Ų | 99 | 17% | 0.173 | 53% | 0.527 | C | S | . | . | trans | -67.3 | 112.4 | 177.7 | -67 | -75.2 | 0 | 0 | 0 | 110.7 | W51 N53 S69 L73 | W51-Y67 WeakPolarHBondContact O-CD2 2.91Å; W51-Y67 PolarHBondContact O-N 2.89Å; N53-Y67 HydrophobicContact CB-CE1 4.3Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 3.29Å; Y67-L73 HydrophobicContact CD1-CD1 3.72Å; Y67-L73 HydrophobicContact CD2-CD1 4.43Å; Y67-L73 HydrophobicContact CE1-CD1 3.58Å; Y67-L73 HydrophobicContact CE2-CD1 4.31Å; Y67-L73 HydrophobicContact CG-CD1 4.15Å | ||
| 68 | D | 72.6 | Confident | 74.7 | Confident | 124 Ų | 124 | 98.4 Ų | 98.4 | 66% | 0.663 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -68.6 | -19.6 | -176 | -65 | -41.9 | 0 | 0 | 0 | 113.9 | K65 V66 | K65-D68 WeakPolarHBondContact CE-OD2 3.29Å; K65-D68 IonicContact NZ-OD2 2.78Å; K65-D68 PolarHBondContact NZ-OD2 2.94Å; V66-D68 PolarHBondContact O-N 3.4Å; V66-D68 VanDerWaalsContact O-N 3.14Å |
| 69 | S | 66.5 | Low | 75.6 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 53% | 0.531 | 52% | 0.524 | S | S | . | . | trans | -141.8 | 118 | -178.2 | -68.3 | 0 | 0 | 0 | 0 | 111.2 | Y67 L71 | Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 3.29Å; S69-L71 PolarHBondContact O-N 2.93Å | ||
| 70 | L | 59.5 | Low | 76.7 | Confident | 110 Ų | 110 | 92.9 Ų | 92.9 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -66.6 | -21.1 | 178.7 | -60.3 | 179.1 | 0 | 0 | 0 | 113 | ||
| 71 | L | 60.1 | Low | 77.9 | Confident | 159 Ų | 159 | 86.6 Ų | 86.6 | 83% | 0.832 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -89.8 | -12.4 | -171.9 | -154.4 | 67.2 | 0 | 0 | 0 | 114.4 | S69 | S69-L71 PolarHBondContact O-N 2.93Š|
| 72 | A | 54.9 | Low | 78.8 | Confident | 90 Ų | 90 | 79.2 Ų | 79.2 | 74% | 0.744 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -102.2 | 10.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 73 | L | 66.6 | Low | 79.3 | Confident | 21 Ų | 21 | 77.2 Ų | 77.2 | 11% | 0.11 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -92.2 | 148 | -177.1 | -159.9 | 71.1 | 0 | 0 | 0 | 110.6 | Y67 Q75 L77 | Y67-L73 HydrophobicContact CD1-CD1 3.72Å; Y67-L73 HydrophobicContact CD2-CD1 4.43Å; Y67-L73 HydrophobicContact CE1-CD1 3.58Å; Y67-L73 HydrophobicContact CE2-CD1 4.31Å; Y67-L73 HydrophobicContact CG-CD1 4.15Å; L73-Q75 PolarHBondContact O-N 2.85Å; L73-L77 HydrophobicContact CD1-CD2 4.06Å; L73-L77 HydrophobicContact CD2-CB 3.66Å; L73-L77 HydrophobicContact CD2-CD2 3.91Å; L73-L77 HydrophobicContact CD2-CG 4.39Å; L73-L77 HydrophobicContact CG-CB 3.92Å; L73-L77 HydrophobicContact CG-CD2 4.06Å |
| 74 | P | 72.5 | Confident | 79.8 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | trans | -50.7 | 135.1 | 172.1 | 16.4 | -30.9 | 0 | 0 | 0 | 111.5 | D76 L77 Q78 | P74-D76 PolarHBondContact O-N 3.32Å; P74-D76 VanDerWaalsContact O-N 3.13Å; P74-L77 HydrophobicContact CG-CB 4.3Å; P74-L77 PolarHBondContact O-N 3.27Å; P74-Q78 PolarHBondContact O-N 2.85Å | ||
| 75 | Q | 77.8 | Confident | 80.1 | Confident | 167 Ų | 167 | 70 Ų | 70 | 78% | 0.78 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -54.9 | -34.7 | -174.6 | -69.3 | 175.5 | -25.4 | 0 | 0 | 112.4 | L73 L77 Q78 A79 | L73-Q75 PolarHBondContact O-N 2.85Å; Q75-L77 PolarHBondContact O-N 3.17Å; Q75-Q78 PolarHBondContact O-N 3.37Å; Q75-A79 PolarHBondContact O-N 3.49Å |
| 76 | D | 79.4 | Confident | 80.5 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 175.9 | -62.7 | -47.5 | 0 | 0 | 0 | 112.8 | P74 A80 W139 | P74-D76 PolarHBondContact O-N 3.32Å; P74-D76 VanDerWaalsContact O-N 3.13Å; D76-A80 WeakPolarHBondContact O-CB 3.34Å; D76-A80 PolarHBondContact O-N 3.47Å; D76-W139 PolarHBondContact OD1-NE1 3.39Å |
| 77 | L | 79.4 | Confident | 80.9 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.9 | -35.3 | 179 | -111.2 | 71.6 | 0 | 0 | 0 | 111.6 | L73 P74 Q75 A80 R81 | L73-L77 HydrophobicContact CD1-CD2 4.06Å; L73-L77 HydrophobicContact CD2-CB 3.66Å; L73-L77 HydrophobicContact CD2-CD2 3.91Å; L73-L77 HydrophobicContact CD2-CG 4.39Å; L73-L77 HydrophobicContact CG-CB 3.92Å; L73-L77 HydrophobicContact CG-CD2 4.06Å; P74-L77 HydrophobicContact CG-CB 4.3Å; P74-L77 PolarHBondContact O-N 3.27Å; Q75-L77 PolarHBondContact O-N 3.17Å; L77-A80 PolarHBondContact O-N 3.49Å; L77-R81 WeakPolarHBondContact O-CG 3.4Å; L77-R81 PolarHBondContact O-N 3.16Å |
| 78 | Q | 86.6 | Confident | 81.6 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 177 | -171.8 | 175.3 | -1.9 | 0 | 0 | 111.2 | P74 Q75 R81 G82 | P74-Q78 PolarHBondContact O-N 2.85Å; Q75-Q78 PolarHBondContact O-N 3.37Å; Q78-R81 PolarHBondContact O-N 3.45Å; Q78-G82 PolarHBondContact O-N 3.01Å |
| 79 | A | 87.7 | Confident | 82.7 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q75 R81 G82 L83 | Q75-A79 PolarHBondContact O-N 3.49Å; A79-R81 PolarHBondContact O-N 2.92Å; A79-G82 PolarHBondContact O-N 3.4Å; A79-L83 WeakPolarHBondContact O-CG 3.41Å; A79-L83 PolarHBondContact O-N 3.35Å |
| 80 | A | 90.3 | Very high | 84.2 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L50 D76 L77 G82 L83 M84 P136 | L50-A80 HydrophobicContact CD1-CB 3.84Å; D76-A80 WeakPolarHBondContact O-CB 3.34Å; D76-A80 PolarHBondContact O-N 3.47Å; L77-A80 PolarHBondContact O-N 3.49Å; A80-G82 PolarHBondContact O-N 2.96Å; A80-L83 PolarHBondContact O-N 3.46Å; A80-M84 WeakPolarHBondContact O-CB 3.21Å; A80-M84 VanDerWaalsContact O-CG 3.24Å; A80-M84 WeakPolarHBondContact O-CG 3.36Å; A80-M84 PolarHBondContact O-N 2.91Å; A80-P136 HydrophobicContact CB-CB 3.69Å |
| 81 | R | 91.6 | Very high | 86 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.5 | -49.6 | 172.4 | -75.6 | 172.7 | -179.6 | 178.1 | -0.3 | 112.4 | L50 L77 Q78 A79 C85 | L50-R81 HydrophobicContact CD1-CG 4.12Å; L50-R81 HydrophobicContact CD2-CB 4.41Å; L50-R81 HydrophobicContact CD2-CG 3.89Å; L50-R81 HydrophobicContact CG-CG 3.55Å; L50-R81 PolarHBondContact O-NE 2.72Å; L50-R81 PolarHBondContact O-NH2 2.97Å; L77-R81 WeakPolarHBondContact O-CG 3.4Å; L77-R81 PolarHBondContact O-N 3.16Å; Q78-R81 PolarHBondContact O-N 3.45Å; A79-R81 PolarHBondContact O-N 2.92Å; R81-C85 WeakPolarHBondContact O-CB 3.43Å; R81-C85 PolarHBondContact O-N 2.74Å; R81-C85 PolarHBondContact O-SG 3.41Å |
| 82 | G | 92.4 | Very high | 87.7 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.3 | -49.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q78 A79 A80 C85 C86 | Q78-G82 PolarHBondContact O-N 3.01Å; A79-G82 PolarHBondContact O-N 3.4Å; A80-G82 PolarHBondContact O-N 2.96Å; G82-C85 PolarHBondContact O-N 3.31Å; G82-C86 WeakPolarHBondContact O-CB 3.47Å; G82-C86 PolarHBondContact O-N 3.31Å; G82-C86 PolarHBondContact O-SG 2.93Å |
| 83 | L | 94.2 | Very high | 89.7 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | -178.4 | -70.5 | 172.8 | 0 | 0 | 0 | 112.9 | A79 A80 C86 S87 I135 P136 | A79-L83 WeakPolarHBondContact O-CG 3.41Å; A79-L83 PolarHBondContact O-N 3.35Å; A80-L83 PolarHBondContact O-N 3.46Å; L83-C86 PolarHBondContact O-N 2.9Å; L83-S87 WeakPolarHBondContact O-CB 3.36Å; L83-S87 PolarHBondContact O-N 2.76Å; L83-I135 HydrophobicContact CD1-CB 4.42Å; L83-I135 HydrophobicContact CD1-CG2 3.81Å; L83-P136 HydrophobicContact CB-CB 4.36Å; L83-P136 HydrophobicContact CB-CG 3.86Å; L83-P136 HydrophobicContact CD1-CB 4.37Å; L83-P136 HydrophobicContact CD1-CG 4.42Å |
| 84 | M | 95.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.9 | -67.3 | -60.9 | -70.9 | 0 | 0 | 111.7 | T25 W30 L50 A80 C86 S87 L88 D133 P136 V137 | T25-M84 HydrophobicContact CG2-CB 4.15Å; T25-M84 WeakPolarHBondContact OG1-CE 3.21Å; W30-M84 HydrophobicContact CH2-CE 4.04Å; W30-M84 HydrophobicContact CH2-CG 3.73Å; W30-M84 HydrophobicContact CH2-SD 3.73Å; W30-M84 HydrophobicContact CZ2-CE 3.85Å; W30-M84 HydrophobicContact CZ2-CG 4.06Å; W30-M84 HydrophobicContact CZ2-SD 4.15Å; L50-M84 HydrophobicContact CD2-CB 4.12Å; L50-M84 HydrophobicContact CD2-CG 3.99Å; A80-M84 WeakPolarHBondContact O-CB 3.21Å; A80-M84 VanDerWaalsContact O-CG 3.24Å; A80-M84 WeakPolarHBondContact O-CG 3.36Å; A80-M84 PolarHBondContact O-N 2.91Å; M84-C86 PolarHBondContact O-N 3.09Å; M84-S87 WeakPolarHBondContact O-CB 3.25Å; M84-S87 PolarHBondContact O-N 3.33Å; M84-L88 WeakPolarHBondContact O-CG 3.5Å; M84-L88 PolarHBondContact O-N 2.94Å; M84-D133 WeakPolarHBondContact CE-OD1 3.32Å; M84-P136 HydrophobicContact CG-CG 4.07Å; M84-P136 HydrophobicContact SD-CG 3.72Å; M84-V137 HydrophobicContact SD-CG2 4.25Å |
| 85 | C | 95.6 | Very high | 92.2 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 36% | 0.358 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.3 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | R81 G82 L88 A89 | R81-C85 WeakPolarHBondContact O-CB 3.43Å; R81-C85 PolarHBondContact O-N 2.74Å; R81-C85 PolarHBondContact O-SG 3.41Å; G82-C85 PolarHBondContact O-N 3.31Å; C85-L88 PolarHBondContact O-N 3.26Å; C85-A89 WeakPolarHBondContact O-CB 3.22Å; C85-A89 PolarHBondContact O-N 3.33Å |
| 86 | C | 96.3 | Very high | 93 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.5 | -73.5 | 0 | 0 | 0 | 0 | 111.4 | G82 L83 M84 A89 L90 | G82-C86 WeakPolarHBondContact O-CB 3.47Å; G82-C86 PolarHBondContact O-N 3.31Å; G82-C86 PolarHBondContact O-SG 2.93Å; L83-C86 PolarHBondContact O-N 2.9Å; M84-C86 PolarHBondContact O-N 3.09Å; C86-A89 PolarHBondContact O-N 3.27Å; C86-L90 WeakPolarHBondContact O-CB 3.27Å; C86-L90 VanDerWaalsContact O-CG 3.25Å; C86-L90 WeakPolarHBondContact O-CG 3.32Å; C86-L90 PolarHBondContact O-N 2.93Å |
| 87 | S | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | L83 M84 A89 L90 G91 A129 | L83-S87 WeakPolarHBondContact O-CB 3.36Å; L83-S87 PolarHBondContact O-N 2.76Å; M84-S87 WeakPolarHBondContact O-CB 3.25Å; M84-S87 PolarHBondContact O-N 3.33Å; S87-A89 VanDerWaalsContact C-N 3.35Å; S87-A89 PolarHBondContact O-N 3.49Å; S87-L90 PolarHBondContact O-N 2.9Å; S87-G91 PolarHBondContact O-N 3.3Å; S87-A129 WeakPolarHBondContact CB-O 3.24Å; S87-A129 WeakPolarHBondContact O-CB 3.4Å; S87-A129 PolarHBondContact OG-O 2.88Å |
| 88 | L | 97 | Very high | 94.2 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 178.1 | -69.2 | 177.3 | 0 | 0 | 0 | 112.5 | L18 A21 A22 T25 M84 C85 A92 | L18-L88 HydrophobicContact CD1-CD2 3.82Å; A21-L88 HydrophobicContact CB-CD2 4.01Å; A22-L88 HydrophobicContact CB-CD2 3.83Å; T25-L88 HydrophobicContact CG2-CD1 4.12Å; M84-L88 WeakPolarHBondContact O-CG 3.5Å; M84-L88 PolarHBondContact O-N 2.94Å; C85-L88 PolarHBondContact O-N 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.34Å; L88-A92 PolarHBondContact O-N 3.22Å |
| 89 | A | 97.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.9 | -48.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C85 C86 S87 A92 I93 | C85-A89 WeakPolarHBondContact O-CB 3.22Å; C85-A89 PolarHBondContact O-N 3.33Å; C86-A89 PolarHBondContact O-N 3.27Å; S87-A89 VanDerWaalsContact C-N 3.35Å; S87-A89 PolarHBondContact O-N 3.49Å; A89-A92 PolarHBondContact O-N 3.1Å; A89-I93 WeakPolarHBondContact O-CB 3.45Å; A89-I93 WeakPolarHBondContact O-CD1 3.4Å; A89-I93 VanDerWaalsContact O-CG1 3.23Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 2.88Å |
| 90 | L | 96.8 | Very high | 94.5 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 179 | -69.8 | 172.9 | 0 | 0 | 0 | 111.6 | C86 S87 I93 G94 M125 M128 A129 | C86-L90 WeakPolarHBondContact O-CB 3.27Å; C86-L90 VanDerWaalsContact O-CG 3.25Å; C86-L90 WeakPolarHBondContact O-CG 3.32Å; C86-L90 PolarHBondContact O-N 2.93Å; S87-L90 PolarHBondContact O-N 2.9Å; L90-I93 PolarHBondContact O-N 3.49Å; L90-G94 PolarHBondContact O-N 3.47Å; L90-M125 HydrophobicContact CD2-CE 3.38Å; L90-M125 HydrophobicContact CD2-SD 4.26Å; L90-M128 HydrophobicContact CD1-CB 4.31Å; L90-A129 HydrophobicContact CB-CB 3.83Å |
| 91 | G | 96.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.1 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S87 G94 L95 | S87-G91 PolarHBondContact O-N 3.3Å; G91-G94 PolarHBondContact O-N 3.33Å; G91-L95 WeakPolarHBondContact O-CB 3.41Å; G91-L95 WeakPolarHBondContact O-CG 3.29Å; G91-L95 PolarHBondContact O-N 2.88Å |
| 92 | A | 97.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 31% | 0.306 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.4 | -46.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L18 L88 A89 L95 L96 | L18-A92 HydrophobicContact CD2-CB 4.14Å; L88-A92 WeakPolarHBondContact O-CB 3.34Å; L88-A92 PolarHBondContact O-N 3.22Å; A89-A92 PolarHBondContact O-N 3.1Å; A92-L95 PolarHBondContact O-N 3.41Å; A92-L96 WeakPolarHBondContact O-CG 3.48Å; A92-L96 PolarHBondContact O-N 2.85Å |
| 93 | I | 96.9 | Very high | 92.7 | Very high | 84 Ų | 84 | 41.2 Ų | 41.2 | 43% | 0.431 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -45.9 | 176.6 | -67.6 | 166.4 | 0 | 0 | 0 | 110.2 | A89 L90 L95 L96 I97 M125 | A89-I93 WeakPolarHBondContact O-CB 3.45Å; A89-I93 WeakPolarHBondContact O-CD1 3.4Å; A89-I93 VanDerWaalsContact O-CG1 3.23Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 2.88Å; L90-I93 PolarHBondContact O-N 3.49Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.3Å; I93-L96 PolarHBondContact O-N 2.9Å; I93-I97 HydrophobicContact CG2-CD1 3.7Å; I93-I97 HydrophobicContact CG2-CG1 4.35Å; I93-I97 VanDerWaalsContact O-CG1 3.23Å; I93-I97 WeakPolarHBondContact O-CG1 3.45Å; I93-I97 PolarHBondContact O-N 3.49Å; I93-M125 HydrophobicContact CG2-CE 4.32Å |
| 94 | G | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L90 G91 I97 S98 A122 | L90-G94 PolarHBondContact O-N 3.47Å; G91-G94 PolarHBondContact O-N 3.33Å; G94-I97 PolarHBondContact O-N 2.98Å; G94-S98 WeakPolarHBondContact O-CB 3.11Å; G94-S98 PolarHBondContact O-N 3.49Å; G94-S98 PolarHBondContact O-OG 3.28Å; G94-A122 WeakPolarHBondContact O-CB 3.26Å |
| 95 | L | 95.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 174.8 | -82.7 | -178.9 | 0 | 0 | 0 | 112.9 | L11 S14 L15 L18 G91 A92 I93 I97 S98 L99 I126 | L11-L95 HydrophobicContact CD1-CD2 4.48Å; S14-L95 VanDerWaalsContact CB-CD2 3.42Å; L15-L95 HydrophobicContact CB-CD1 4.46Å; L15-L95 HydrophobicContact CD1-CD1 4.23Å; L18-L95 HydrophobicContact CB-CD1 3.92Å; L18-L95 HydrophobicContact CD2-CD1 3.53Å; L18-L95 HydrophobicContact CG-CD1 4.34Å; G91-L95 WeakPolarHBondContact O-CB 3.41Å; G91-L95 WeakPolarHBondContact O-CG 3.29Å; G91-L95 PolarHBondContact O-N 2.88Å; A92-L95 PolarHBondContact O-N 3.41Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.3Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 3.07Å; L95-S98 WeakPolarHBondContact O-CB 3.38Å; L95-S98 PolarHBondContact O-N 3.48Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.44Å; L95-I126 HydrophobicContact CD2-CD1 4.4Å |
| 96 | L | 94.6 | Very high | 88.7 | Confident | 114 Ų | 114 | 46.8 Ų | 46.8 | 60% | 0.597 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 176.9 | -69.9 | 174.5 | 0 | 0 | 0 | 111.5 | A92 I93 S98 L99 V100 | A92-L96 WeakPolarHBondContact O-CG 3.48Å; A92-L96 PolarHBondContact O-N 2.85Å; I93-L96 PolarHBondContact O-N 2.9Å; L96-S98 VanDerWaalsContact C-N 3.32Å; L96-S98 PolarHBondContact O-N 3.37Å; L96-L99 HydrophobicContact CD2-CD1 4.49Å; L96-L99 PolarHBondContact O-N 3.31Å; L96-V100 WeakPolarHBondContact O-CG2 3.11Å; L96-V100 PolarHBondContact O-N 3.4Å |
| 97 | I | 92.8 | Very high | 87.1 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 175.1 | -64.3 | 169.3 | 0 | 0 | 0 | 110.2 | I93 G94 L95 L99 V100 G101 V118 A122 | I93-I97 HydrophobicContact CG2-CD1 3.7Å; I93-I97 HydrophobicContact CG2-CG1 4.35Å; I93-I97 VanDerWaalsContact O-CG1 3.23Å; I93-I97 WeakPolarHBondContact O-CG1 3.45Å; I93-I97 PolarHBondContact O-N 3.49Å; G94-I97 PolarHBondContact O-N 2.98Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 3.07Å; I97-L99 PolarHBondContact O-N 3.01Å; I97-V100 PolarHBondContact O-N 2.88Å; I97-G101 PolarHBondContact O-N 3.34Å; I97-V118 HydrophobicContact CG2-CG1 3.5Å; I97-V118 VanDerWaalsContact CG2-CG1 3.5Å; I97-A122 HydrophobicContact CB-CB 4.06Å; I97-A122 HydrophobicContact CG2-CB 3.79Å |
| 98 | S | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | G94 L95 L96 V100 G101 M102 A122 | G94-S98 WeakPolarHBondContact O-CB 3.11Å; G94-S98 PolarHBondContact O-N 3.49Å; G94-S98 PolarHBondContact O-OG 3.28Å; L95-S98 WeakPolarHBondContact O-CB 3.38Å; L95-S98 PolarHBondContact O-N 3.48Å; L96-S98 VanDerWaalsContact C-N 3.32Å; L96-S98 PolarHBondContact O-N 3.37Å; S98-V100 VanDerWaalsContact C-N 3.3Å; S98-V100 PolarHBondContact O-N 2.93Å; S98-G101 PolarHBondContact O-N 2.99Å; S98-G101 VanDerWaalsContact O-N 3.09Å; S98-M102 WeakPolarHBondContact O-CG 3.5Å; S98-M102 PolarHBondContact O-N 2.82Å; S98-A122 WeakPolarHBondContact OG-CB 3.41Å |
| 99 | L | 90.6 | Very high | 83.9 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 178.2 | -73.7 | 169.8 | 0 | 0 | 0 | 112.7 | L11 L95 L96 I97 M102 T105 | L11-L99 HydrophobicContact CD1-CD2 3.7Å; L11-L99 HydrophobicContact CD1-CG 3.98Å; L11-L99 HydrophobicContact CD2-CD2 3.92Å; L11-L99 HydrophobicContact CG-CD2 4.41Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.44Å; L96-L99 HydrophobicContact CD2-CD1 4.49Å; L96-L99 PolarHBondContact O-N 3.31Å; I97-L99 PolarHBondContact O-N 3.01Å; L99-M102 HydrophobicContact CD2-SD 4.35Å; L99-T105 WeakPolarHBondContact O-CB 3.34Å; L99-T105 PolarHBondContact O-OG1 2.9Å |
| 100 | V | 88.4 | Confident | 82.3 | Confident | 64 Ų | 64 | 63.8 Ų | 63.8 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.8 | -34.3 | 177 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | L96 I97 S98 C107 I108 | L96-V100 WeakPolarHBondContact O-CG2 3.11Å; L96-V100 PolarHBondContact O-N 3.4Å; I97-V100 PolarHBondContact O-N 2.88Å; S98-V100 VanDerWaalsContact C-N 3.3Å; S98-V100 PolarHBondContact O-N 2.93Å; V100-C107 HydrophobicContact CG1-CB 4.11Å; V100-I108 HydrophobicContact CG1-CD1 4.46Å |
| 101 | G | 84.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -77 | -19.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I97 S98 | I97-G101 PolarHBondContact O-N 3.34Å; S98-G101 PolarHBondContact O-N 2.99Å; S98-G101 VanDerWaalsContact O-N 3.09Å |
| 102 | M | 83.8 | Confident | 80.7 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -59 | 145.8 | -179.3 | -77.8 | 175.8 | 83.3 | 0 | 0 | 113 | I8 L11 S98 L99 C104 T105 | I8-M102 HydrophobicContact CG1-CE 3.68Å; L11-M102 HydrophobicContact CD1-SD 3.78Å; L11-M102 HydrophobicContact CD2-SD 4.1Å; L11-M102 HydrophobicContact CG-SD 4.36Å; S98-M102 WeakPolarHBondContact O-CG 3.5Å; S98-M102 PolarHBondContact O-N 2.82Å; L99-M102 HydrophobicContact CD2-SD 4.35Å; M102-C104 PolarHBondContact O-N 3.48Å; M102-T105 PolarHBondContact O-N 3.21Å |
| 103 | Q | 70.4 | Confident | 80 | Confident | 95 Ų | 95 | 78.6 Ų | 78.6 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30 | -179.6 | -64.4 | 176.4 | 17.1 | 0 | 0 | 113.1 | S4 E7 T105 | S4-Q103 PolarHBondContact OG-OE1 2.86Å; E7-Q103 PolarHBondContact OE1-NE2 2.9Å; Q103-T105 PolarHBondContact O-N 3.36Å |
| 104 | C | 67.6 | Low | 79.4 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 69% | 0.689 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 113.5 | M102 | M102-C104 PolarHBondContact O-N 3.48Š|
| 105 | T | 71.4 | Confident | 78.9 | Confident | 42 Ų | 42 | 77.4 Ų | 77.4 | 26% | 0.258 | 41% | 0.409 | S | S | . | . | trans | -95.7 | 122.3 | -177.1 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | L99 M102 Q103 C107 K115 | L99-T105 WeakPolarHBondContact O-CB 3.34Å; L99-T105 PolarHBondContact O-OG1 2.9Å; M102-T105 PolarHBondContact O-N 3.21Å; Q103-T105 PolarHBondContact O-N 3.36Å; T105-C107 VanDerWaalsContact C-N 3.25Å; T105-C107 HydrophobicContact CG2-CB 4Å; T105-C107 PolarHBondContact O-N 3.2Å; T105-K115 PolarHBondContact O-NZ 2.7Å | ||
| 106 | A | 61.7 | Low | 78.5 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 66% | 0.661 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | I108 | A106-I108 VanDerWaalsContact C-N 3.31Å; A106-I108 PolarHBondContact O-N 3.39Å |
| 107 | C | 62 | Low | 78.2 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 66% | 0.662 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -35.6 | -175.8 | -71.8 | 0 | 0 | 0 | 0 | 113.6 | V100 T105 | V100-C107 HydrophobicContact CG1-CB 4.11Å; T105-C107 VanDerWaalsContact C-N 3.25Å; T105-C107 HydrophobicContact CG2-CB 4Å; T105-C107 PolarHBondContact O-N 3.2Å |
| 108 | I | 65.7 | Low | 78.1 | Confident | 38 Ų | 38 | 77.4 Ų | 77.4 | 20% | 0.195 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -103.4 | 97 | 176.6 | -61 | 167.5 | 0 | 0 | 0 | 108 | V100 A106 K115 V118 | V100-I108 HydrophobicContact CG1-CD1 4.46Å; A106-I108 VanDerWaalsContact C-N 3.31Å; A106-I108 PolarHBondContact O-N 3.39Å; I108-K115 HydrophobicContact CB-CD 4.49Å; I108-K115 HydrophobicContact CB-CG 3.88Å; I108-K115 HydrophobicContact CD1-CG 4.12Å; I108-K115 HydrophobicContact CG2-CG 3.7Å; I108-K115 WeakPolarHBondContact O-CE 3.23Å; I108-K115 PolarHBondContact O-NZ 3.33Å; I108-V118 HydrophobicContact CD1-CG2 4.33Å |
| 109 | R | 62.1 | Low | 78.1 | Confident | 213 Ų | 213 | 77.5 Ų | 77.5 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | trans | -80 | 129.5 | 178.2 | -166.5 | 111.2 | 65.6 | -175.3 | -1.6 | 109.8 | N111 | R109-N111 PolarHBondContact O-N 3.19Š| ||
| 110 | N | 63.8 | Low | 78.1 | Confident | 165 Ų | 165 | 75.2 Ų | 75.2 | 88% | 0.882 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 65.4 | 20.9 | 165.2 | -91.1 | 3.6 | 0 | 0 | 0 | 118.9 | ||
| 111 | N | 78.5 | Confident | 78.4 | Confident | 80 Ų | 80 | 76.7 Ų | 76.7 | 43% | 0.428 | 40% | 0.401 | S | S | . | . | trans | -137.7 | 87 | 174.2 | -159 | -18.2 | 0 | 0 | 0 | 113.5 | R109 R113 A114 K115 | R109-N111 PolarHBondContact O-N 3.19Å; N111-R113 VanDerWaalsContact C-N 3.25Å; N111-R113 PolarHBondContact O-N 3.23Å; N111-R113 PolarHBondContact OD1-N 2.91Å; N111-A114 HydrophobicContact CB-CB 3.91Å; N111-A114 PolarHBondContact O-N 3.36Å; N111-A114 PolarHBondContact OD1-N 2.93Å; N111-K115 PolarHBondContact O-N 3.32Å; N111-K115 VanDerWaalsContact O-N 3.1Å | ||
| 112 | D | 80.8 | Confident | 78.9 | Confident | 117 Ų | 117 | 76.7 Ų | 76.7 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.2 | -31.8 | 179.4 | -61.9 | -27.6 | 0 | 0 | 0 | 112.7 | R116 | D112-R116 WeakPolarHBondContact O-CB 3.45Å; D112-R116 PolarHBondContact O-N 3.47Å; D112-R116 VanDerWaalsContact O-N 3.1Å |
| 113 | R | 82.3 | Confident | 79.4 | Confident | 197 Ų | 197 | 75.9 Ų | 75.9 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.5 | -43 | 175.7 | -68.1 | -177.1 | 178.3 | 175.1 | -1.3 | 111.1 | N111 R116 L117 | N111-R113 VanDerWaalsContact C-N 3.25Å; N111-R113 PolarHBondContact O-N 3.23Å; N111-R113 PolarHBondContact OD1-N 2.91Å; R113-R116 PolarHBondContact O-N 2.88Å; R113-L117 WeakPolarHBondContact O-CG 3.38Å; R113-L117 PolarHBondContact O-N 3.13Å |
| 114 | A | 84.9 | Confident | 80.7 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 26% | 0.256 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | N111 R116 L117 V118 | N111-A114 HydrophobicContact CB-CB 3.91Å; N111-A114 PolarHBondContact O-N 3.36Å; N111-A114 PolarHBondContact OD1-N 2.93Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 3.47Å; A114-L117 PolarHBondContact O-N 3.45Å; A114-V118 WeakPolarHBondContact O-CB 3.39Å; A114-V118 VanDerWaalsContact O-CG2 3.23Å; A114-V118 WeakPolarHBondContact O-CG2 3.38Å; A114-V118 PolarHBondContact O-N 2.95Å |
| 115 | K | 85 | Confident | 82 | Confident | 27 Ų | 27 | 72 Ų | 72 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.3 | -45.3 | 175.9 | -71.4 | -171 | 177.2 | -168.7 | 0 | 112.1 | T105 I108 N111 V118 L119 | T105-K115 PolarHBondContact O-NZ 2.7Å; I108-K115 HydrophobicContact CB-CD 4.49Å; I108-K115 HydrophobicContact CB-CG 3.88Å; I108-K115 HydrophobicContact CD1-CG 4.12Å; I108-K115 HydrophobicContact CG2-CG 3.7Å; I108-K115 WeakPolarHBondContact O-CE 3.23Å; I108-K115 PolarHBondContact O-NZ 3.33Å; N111-K115 PolarHBondContact O-N 3.32Å; N111-K115 VanDerWaalsContact O-N 3.1Å; K115-V118 WeakPolarHBondContact O-CB 3.31Å; K115-V118 PolarHBondContact O-N 3.42Å; K115-L119 WeakPolarHBondContact O-CG 3.37Å; K115-L119 PolarHBondContact O-N 2.89Å |
| 116 | R | 85.8 | Confident | 83.2 | Confident | 44 Ų | 44 | 70 Ų | 70 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 177.9 | -176.5 | -178.2 | -67 | -168.7 | -0 | 112.9 | D112 R113 A114 V118 L119 I120 N186 S189 | D112-R116 WeakPolarHBondContact O-CB 3.45Å; D112-R116 PolarHBondContact O-N 3.47Å; D112-R116 VanDerWaalsContact O-N 3.1Å; R113-R116 PolarHBondContact O-N 2.88Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 3.47Å; R116-V118 VanDerWaalsContact C-N 3.26Å; R116-V118 PolarHBondContact O-N 3.25Å; R116-L119 PolarHBondContact O-N 2.98Å; R116-L119 VanDerWaalsContact O-N 3.13Å; R116-I120 HydrophobicContact CG-CD1 4.11Å; R116-I120 WeakPolarHBondContact O-CG1 3.43Å; R116-I120 PolarHBondContact O-N 2.99Å; R116-N186 VanDerWaalsContact CD-O 3.23Å; R116-N186 WeakPolarHBondContact CD-O 3.46Å; R116-N186 HydrophobicContact CG-CB 3.7Å; R116-S189 PolarHBondContact NE-OG 2.99Å; R116-S189 PolarHBondContact NH1-O 2.69Å; R116-S189 PolarHBondContact NH1-OG 3.26Å; R116-S189 PolarHBondContact NH2-O 3.37Å; R116-S189 PolarHBondContact NH2-OG 3.33Å |
| 117 | L | 88.4 | Confident | 84.9 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 52% | 0.518 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 177 | -73.2 | 171.5 | 0 | 0 | 0 | 111.1 | R113 A114 L119 I120 I121 | R113-L117 WeakPolarHBondContact O-CG 3.38Å; R113-L117 PolarHBondContact O-N 3.13Å; A114-L117 PolarHBondContact O-N 3.45Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.05Å; L117-I120 PolarHBondContact O-N 3.46Å; L117-I121 WeakPolarHBondContact O-CD1 3.19Å; L117-I121 VanDerWaalsContact O-CG1 3.24Å; L117-I121 WeakPolarHBondContact O-CG1 3.41Å; L117-I121 PolarHBondContact O-N 2.84Å |
| 118 | V | 91.2 | Very high | 86.6 | Confident | 38 Ų | 38 | 68 Ų | 68 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.8 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | I97 I108 A114 K115 R116 I121 A122 | I97-V118 HydrophobicContact CG2-CG1 3.5Å; I97-V118 VanDerWaalsContact CG2-CG1 3.5Å; I108-V118 HydrophobicContact CD1-CG2 4.33Å; A114-V118 WeakPolarHBondContact O-CB 3.39Å; A114-V118 VanDerWaalsContact O-CG2 3.23Å; A114-V118 WeakPolarHBondContact O-CG2 3.38Å; A114-V118 PolarHBondContact O-N 2.95Å; K115-V118 WeakPolarHBondContact O-CB 3.31Å; K115-V118 PolarHBondContact O-N 3.42Å; R116-V118 VanDerWaalsContact C-N 3.26Å; R116-V118 PolarHBondContact O-N 3.25Å; V118-I121 PolarHBondContact O-N 3.36Å; V118-A122 WeakPolarHBondContact O-CB 3.49Å; V118-A122 PolarHBondContact O-N 3.36Å |
| 119 | L | 91.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | 176.2 | -70.6 | 172.9 | 0 | 0 | 0 | 113 | E7 K115 R116 L117 A122 G123 F182 | E7-L119 HydrophobicContact CG-CD1 4.23Å; K115-L119 WeakPolarHBondContact O-CG 3.37Å; K115-L119 PolarHBondContact O-N 2.89Å; R116-L119 PolarHBondContact O-N 2.98Å; R116-L119 VanDerWaalsContact O-N 3.13Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.05Å; L119-A122 PolarHBondContact O-N 3.02Å; L119-G123 PolarHBondContact O-N 3.35Å; L119-F182 HydrophobicContact CD2-CD1 4.23Å; L119-F182 HydrophobicContact CD2-CE1 4.22Å |
| 120 | I | 92.1 | Very high | 89.8 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 16% | 0.164 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 174.6 | -67.1 | 167.8 | 0 | 0 | 0 | 110.1 | R116 L117 A122 G123 T124 N186 I187 | R116-I120 HydrophobicContact CG-CD1 4.11Å; R116-I120 WeakPolarHBondContact O-CG1 3.43Å; R116-I120 PolarHBondContact O-N 2.99Å; L117-I120 PolarHBondContact O-N 3.46Å; I120-A122 VanDerWaalsContact C-N 3.28Å; I120-A122 PolarHBondContact O-N 2.93Å; I120-G123 PolarHBondContact O-N 3.38Å; I120-T124 WeakPolarHBondContact O-CG2 3.17Å; I120-T124 PolarHBondContact O-N 3.34Å; I120-T124 PolarHBondContact O-OG1 3.31Å; I120-N186 HydrophobicContact CD1-CB 4.11Å; I120-N186 HydrophobicContact CG1-CB 3.64Å; I120-I187 HydrophobicContact CD1-CG1 4.14Å |
| 121 | I | 94.1 | Very high | 91.4 | Very high | 94 Ų | 94 | 52.3 Ų | 52.3 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 176 | -66.3 | 163.2 | 0 | 0 | 0 | 110.7 | L117 V118 T124 M125 | L117-I121 WeakPolarHBondContact O-CD1 3.19Å; L117-I121 VanDerWaalsContact O-CG1 3.24Å; L117-I121 WeakPolarHBondContact O-CG1 3.41Å; L117-I121 PolarHBondContact O-N 2.84Å; V118-I121 PolarHBondContact O-N 3.36Å; I121-T124 PolarHBondContact O-N 3.05Å; I121-T124 PolarHBondContact O-OG1 3.34Å; I121-M125 VanDerWaalsContact O-CG 3.25Å; I121-M125 WeakPolarHBondContact O-CG 3.37Å; I121-M125 PolarHBondContact O-N 3.47Å; I121-M125 VanDerWaalsContact O-N 3.1Å |
| 122 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G94 I97 S98 V118 L119 I120 T124 M125 I126 | G94-A122 WeakPolarHBondContact O-CB 3.26Å; I97-A122 HydrophobicContact CB-CB 4.06Å; I97-A122 HydrophobicContact CG2-CB 3.79Å; S98-A122 WeakPolarHBondContact OG-CB 3.41Å; V118-A122 WeakPolarHBondContact O-CB 3.49Å; V118-A122 PolarHBondContact O-N 3.36Å; L119-A122 PolarHBondContact O-N 3.02Å; I120-A122 VanDerWaalsContact C-N 3.28Å; I120-A122 PolarHBondContact O-N 2.93Å; A122-T124 PolarHBondContact O-N 3.3Å; A122-M125 PolarHBondContact O-N 2.84Å; A122-I126 VanDerWaalsContact O-CG1 3.31Å; A122-I126 WeakPolarHBondContact O-CG1 3.38Å; A122-I126 PolarHBondContact O-N 3.33Å |
| 123 | G | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L119 I120 I126 L127 | L119-G123 PolarHBondContact O-N 3.35Å; I120-G123 PolarHBondContact O-N 3.38Å; G123-I126 PolarHBondContact O-N 3.48Å; G123-L127 WeakPolarHBondContact O-CG 3.17Å; G123-L127 PolarHBondContact O-N 2.85Å |
| 124 | T | 95.8 | Very high | 93.7 | Very high | 63 Ų | 63 | 36.7 Ų | 36.7 | 39% | 0.387 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.9 | -40 | 176.4 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | I120 I121 A122 I126 L127 M128 I183 | I120-T124 WeakPolarHBondContact O-CG2 3.17Å; I120-T124 PolarHBondContact O-N 3.34Å; I120-T124 PolarHBondContact O-OG1 3.31Å; I121-T124 PolarHBondContact O-N 3.05Å; I121-T124 PolarHBondContact O-OG1 3.34Å; A122-T124 PolarHBondContact O-N 3.3Å; T124-I126 PolarHBondContact O-N 2.83Å; T124-L127 PolarHBondContact O-N 3.31Å; T124-M128 WeakPolarHBondContact O-CG 3.44Å; T124-M128 PolarHBondContact O-N 3.43Å; T124-I183 HydrophobicContact CG2-CD1 3.8Å; T124-I183 HydrophobicContact CG2-CG1 4.36Å |
| 125 | M | 96.6 | Very high | 94.2 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 174.6 | -69.5 | -70 | -73.8 | 0 | 0 | 112.1 | L90 I93 I121 A122 M128 A129 | L90-M125 HydrophobicContact CD2-CE 3.38Å; L90-M125 HydrophobicContact CD2-SD 4.26Å; I93-M125 HydrophobicContact CG2-CE 4.32Å; I121-M125 VanDerWaalsContact O-CG 3.25Å; I121-M125 WeakPolarHBondContact O-CG 3.37Å; I121-M125 PolarHBondContact O-N 3.47Å; I121-M125 VanDerWaalsContact O-N 3.1Å; A122-M125 PolarHBondContact O-N 2.84Å; M125-M128 PolarHBondContact O-N 2.91Å; M125-A129 PolarHBondContact O-N 3.02Å |
| 126 | I | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.1 | -38 | 175.6 | -67.7 | 166.5 | 0 | 0 | 0 | 111.1 | L95 A122 G123 T124 A129 C130 L175 F182 | L95-I126 HydrophobicContact CD2-CD1 4.4Å; A122-I126 VanDerWaalsContact O-CG1 3.31Å; A122-I126 WeakPolarHBondContact O-CG1 3.38Å; A122-I126 PolarHBondContact O-N 3.33Å; G123-I126 PolarHBondContact O-N 3.48Å; T124-I126 PolarHBondContact O-N 2.83Å; I126-A129 WeakPolarHBondContact O-CB 3.36Å; I126-A129 PolarHBondContact O-N 3.3Å; I126-C130 PolarHBondContact O-N 3.28Å; I126-L175 HydrophobicContact CG2-CB 4.46Å; I126-L175 HydrophobicContact CG2-CD2 4.19Å; I126-L175 WeakPolarHBondContact CG2-O 3.34Å; I126-F182 HydrophobicContact CD1-CD2 3.8Å; I126-F182 HydrophobicContact CD1-CE2 3.72Å |
| 127 | L | 97.1 | Very high | 95 | Very high | 37 Ų | 37 | 36 Ų | 36 | 19% | 0.194 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 173.3 | -73.8 | -172.3 | 0 | 0 | 0 | 112.5 | G123 T124 A129 C130 I131 F176 I183 | G123-L127 WeakPolarHBondContact O-CG 3.17Å; G123-L127 PolarHBondContact O-N 2.85Å; T124-L127 PolarHBondContact O-N 3.31Å; L127-A129 VanDerWaalsContact C-N 3.29Å; L127-A129 PolarHBondContact O-N 2.91Å; L127-C130 WeakPolarHBondContact O-CB 3.35Å; L127-C130 PolarHBondContact O-N 2.9Å; L127-I131 WeakPolarHBondContact O-CG1 3.23Å; L127-I131 PolarHBondContact O-N 3.26Å; L127-F176 HydrophobicContact CD2-CD2 3.83Å; L127-F176 HydrophobicContact CD2-CE2 4.29Å; L127-I183 HydrophobicContact CD1-CD1 3.41Å; L127-I183 VanDerWaalsContact CD1-CD1 3.41Å; L127-I183 HydrophobicContact CG-CD1 4.18Å |
| 128 | M | 97.4 | Very high | 95.3 | Very high | 101 Ų | 101 | 33.1 Ų | 33.1 | 50% | 0.498 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 173.5 | -69.8 | -57.4 | -62.6 | 0 | 0 | 111.3 | L90 T124 M125 I131 C132 | L90-M128 HydrophobicContact CD1-CB 4.31Å; T124-M128 WeakPolarHBondContact O-CG 3.44Å; T124-M128 PolarHBondContact O-N 3.43Å; M125-M128 PolarHBondContact O-N 2.91Å; M128-I131 PolarHBondContact O-N 2.98Å; M128-I131 HydrophobicContact SD-CD1 4.3Å; M128-C132 PolarHBondContact O-N 3.4Å; M128-C132 PolarHBondContact O-SG 3.05Å; M128-C132 VanDerWaalsContact O-SG 3.38Å |
| 129 | A | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S87 L90 M125 I126 L127 I131 C132 D133 | S87-A129 WeakPolarHBondContact CB-O 3.24Å; S87-A129 WeakPolarHBondContact O-CB 3.4Å; S87-A129 PolarHBondContact OG-O 2.88Å; L90-A129 HydrophobicContact CB-CB 3.83Å; M125-A129 PolarHBondContact O-N 3.02Å; I126-A129 WeakPolarHBondContact O-CB 3.36Å; I126-A129 PolarHBondContact O-N 3.3Å; L127-A129 VanDerWaalsContact C-N 3.29Å; L127-A129 PolarHBondContact O-N 2.91Å; A129-I131 VanDerWaalsContact C-N 3.32Å; A129-I131 PolarHBondContact O-N 3.39Å; A129-C132 CarbonylContact O-C 3.59Å; A129-C132 PolarHBondContact O-N 2.92Å; A129-C132 VanDerWaalsContact O-N 3.13Å; A129-D133 PolarHBondContact O-N 3.48Å |
| 130 | C | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.7 | -46.3 | 175.3 | 174 | 0 | 0 | 0 | 0 | 112.1 | I126 L127 C132 D133 L134 G172 L175 | I126-C130 PolarHBondContact O-N 3.28Å; L127-C130 WeakPolarHBondContact O-CB 3.35Å; L127-C130 PolarHBondContact O-N 2.9Å; C130-C132 VanDerWaalsContact C-N 3.35Å; C130-C132 PolarHBondContact O-N 3.4Å; C130-D133 PolarHBondContact O-N 3.24Å; C130-L134 WeakPolarHBondContact O-CB 3.43Å; C130-L134 WeakPolarHBondContact O-CG 3.45Å; C130-L134 PolarHBondContact O-N 3.31Å; C130-G172 PolarHBondContact SG-O 3.2Å; C130-L175 HydrophobicContact CB-CB 3.85Å |
| 131 | I | 97.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 36.9 Ų | 36.9 | 43% | 0.431 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 178 | -65.8 | 164.6 | 0 | 0 | 0 | 110.4 | L127 M128 A129 D133 L134 I135 | L127-I131 WeakPolarHBondContact O-CG1 3.23Å; L127-I131 PolarHBondContact O-N 3.26Å; M128-I131 PolarHBondContact O-N 2.98Å; M128-I131 HydrophobicContact SD-CD1 4.3Å; A129-I131 VanDerWaalsContact C-N 3.32Å; A129-I131 PolarHBondContact O-N 3.39Å; I131-D133 VanDerWaalsContact C-N 3.26Å; I131-D133 PolarHBondContact O-N 2.94Å; I131-L134 PolarHBondContact O-N 2.87Å; I131-I135 HydrophobicContact CG2-CD1 3.61Å; I131-I135 HydrophobicContact CG2-CG1 4.23Å; I131-I135 WeakPolarHBondContact O-CD1 3.33Å; I131-I135 WeakPolarHBondContact O-CG1 3.17Å; I131-I135 PolarHBondContact O-N 3.46Å |
| 132 | C | 96.4 | Very high | 95 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -25.5 | 176.7 | -70.6 | 0 | 0 | 0 | 0 | 114 | M128 A129 C130 P136 | M128-C132 PolarHBondContact O-N 3.4Å; M128-C132 PolarHBondContact O-SG 3.05Å; M128-C132 VanDerWaalsContact O-SG 3.38Å; A129-C132 CarbonylContact O-C 3.59Å; A129-C132 PolarHBondContact O-N 2.92Å; A129-C132 VanDerWaalsContact O-N 3.13Å; C130-C132 VanDerWaalsContact C-N 3.35Å; C130-C132 PolarHBondContact O-N 3.4Å; C132-P136 WeakPolarHBondContact O-CD 2.98Å; C132-P136 VanDerWaalsContact O-CG 3.32Å; C132-P136 WeakPolarHBondContact O-CG 3.16Å |
| 133 | D | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -79.6 | -46.4 | 173.4 | -176.4 | 74 | 0 | 0 | 0 | 111.9 | M84 A129 C130 I131 I135 P136 V137 | M84-D133 WeakPolarHBondContact CE-OD1 3.32Å; A129-D133 PolarHBondContact O-N 3.48Å; C130-D133 PolarHBondContact O-N 3.24Å; I131-D133 VanDerWaalsContact C-N 3.26Å; I131-D133 PolarHBondContact O-N 2.94Å; D133-I135 PolarHBondContact O-N 3.45Å; D133-P136 VanDerWaalsContact O-CD 3.22Å; D133-P136 WeakPolarHBondContact O-CD 3.22Å; D133-P136 VanDerWaalsContact O-CG 3.32Å; D133-P136 WeakPolarHBondContact O-CG 3.15Å; D133-V137 VanDerWaalsContact O-CG2 3.23Å; D133-V137 WeakPolarHBondContact O-CG2 3.32Å; D133-V137 PolarHBondContact O-N 3.41Å |
| 134 | L | 96.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 38 Ų | 38 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.4 | -34.4 | -176.4 | -72.5 | 178.1 | 0 | 0 | 0 | 113.1 | C130 I131 S138 W169 | C130-L134 WeakPolarHBondContact O-CB 3.43Å; C130-L134 WeakPolarHBondContact O-CG 3.45Å; C130-L134 PolarHBondContact O-N 3.31Å; I131-L134 PolarHBondContact O-N 2.87Å; L134-S138 WeakPolarHBondContact O-CB 3.25Å; L134-S138 PolarHBondContact O-N 3.11Å; L134-S138 PolarHBondContact O-OG 3.49Å; L134-W169 HydrophobicContact CD2-CE3 4.15Å |
| 135 | I | 95.4 | Very high | 93.9 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 44% | 0.436 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56 | -59.3 | 178.8 | -70.6 | 164 | 0 | 0 | 0 | 111.8 | L83 I131 D133 S138 W139 | L83-I135 HydrophobicContact CD1-CB 4.42Å; L83-I135 HydrophobicContact CD1-CG2 3.81Å; I131-I135 HydrophobicContact CG2-CD1 3.61Å; I131-I135 HydrophobicContact CG2-CG1 4.23Å; I131-I135 WeakPolarHBondContact O-CD1 3.33Å; I131-I135 WeakPolarHBondContact O-CG1 3.17Å; I131-I135 PolarHBondContact O-N 3.46Å; D133-I135 PolarHBondContact O-N 3.45Å; I135-S138 PolarHBondContact O-N 2.83Å; I135-W139 WeakPolarHBondContact O-CB 3.47Å; I135-W139 PolarHBondContact O-N 3.02Å |
| 136 | P | 93.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -36.9 | -178.2 | 27.7 | -36.2 | 0 | 0 | 0 | 112.8 | A80 L83 M84 C132 D133 T140 | A80-P136 HydrophobicContact CB-CB 3.69Å; L83-P136 HydrophobicContact CB-CB 4.36Å; L83-P136 HydrophobicContact CB-CG 3.86Å; L83-P136 HydrophobicContact CD1-CB 4.37Å; L83-P136 HydrophobicContact CD1-CG 4.42Å; M84-P136 HydrophobicContact CG-CG 4.07Å; M84-P136 HydrophobicContact SD-CG 3.72Å; C132-P136 WeakPolarHBondContact O-CD 2.98Å; C132-P136 VanDerWaalsContact O-CG 3.32Å; C132-P136 WeakPolarHBondContact O-CG 3.16Å; D133-P136 VanDerWaalsContact O-CD 3.22Å; D133-P136 WeakPolarHBondContact O-CD 3.22Å; D133-P136 VanDerWaalsContact O-CG 3.32Å; D133-P136 WeakPolarHBondContact O-CG 3.15Å; P136-T140 WeakPolarHBondContact O-CB 3.48Å; P136-T140 VanDerWaalsContact O-CG2 3.24Å; P136-T140 WeakPolarHBondContact O-CG2 3.42Å; P136-T140 PolarHBondContact O-N 3.49Å; P136-T140 PolarHBondContact O-OG1 3.18Å |
| 137 | V | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 178 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | W30 M84 D133 T140 G141 L165 W169 | W30-V137 HydrophobicContact CH2-CG2 3.98Å; W30-V137 HydrophobicContact CZ3-CG2 4.38Å; M84-V137 HydrophobicContact SD-CG2 4.25Å; D133-V137 VanDerWaalsContact O-CG2 3.23Å; D133-V137 WeakPolarHBondContact O-CG2 3.32Å; D133-V137 PolarHBondContact O-N 3.41Å; V137-T140 PolarHBondContact O-OG1 3.45Å; V137-G141 PolarHBondContact O-N 2.71Å; V137-G141 VanDerWaalsContact O-N 3.11Å; V137-L165 HydrophobicContact CG1-CB 4.48Å; V137-L165 HydrophobicContact CG1-CD2 4.03Å; V137-W169 VanDerWaalsContact CG1-CD1 3.49Å; V137-W169 HydrophobicContact CG1-CD2 4.42Å; V137-W169 HydrophobicContact CG1-CG 4.04Å |
| 138 | S | 94.2 | Very high | 91.9 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.9 | -40.8 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | L134 I135 G141 H142 W169 | L134-S138 WeakPolarHBondContact O-CB 3.25Å; L134-S138 PolarHBondContact O-N 3.11Å; L134-S138 PolarHBondContact O-OG 3.49Å; I135-S138 PolarHBondContact O-N 2.83Å; S138-G141 PolarHBondContact O-N 2.95Å; S138-H142 WeakPolarHBondContact O-CB 3.36Å; S138-H142 PolarHBondContact O-N 2.8Å; S138-W169 WeakPolarHBondContact OG-CH2 3.44Å; S138-W169 VanDerWaalsContact OG-CZ2 3.29Å; S138-W169 WeakPolarHBondContact OG-CZ2 3.36Å |
| 139 | W | 93.2 | Very high | 91.1 | Very high | 137 Ų | 137 | 48 Ų | 48 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 177.9 | -176 | -98.6 | 0 | 0 | 0 | 111.6 | D76 I135 G141 H142 V143 | D76-W139 PolarHBondContact OD1-NE1 3.39Å; I135-W139 WeakPolarHBondContact O-CB 3.47Å; I135-W139 PolarHBondContact O-N 3.02Å; W139-G141 VanDerWaalsContact C-N 3.34Å; W139-G141 PolarHBondContact O-N 3.47Å; W139-H142 WeakPolarHBondContact O-CB 3.44Å; W139-H142 PolarHBondContact O-N 2.91Å; W139-V143 WeakPolarHBondContact O-CG2 3.23Å; W139-V143 PolarHBondContact O-N 3.4Å |
| 140 | T | 89.7 | Confident | 90.2 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.6 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | W30 P136 V137 H142 V143 I144 L165 | W30-T140 HydrophobicContact CE3-CG2 4.21Å; W30-T140 HydrophobicContact CZ3-CG2 4.22Å; P136-T140 WeakPolarHBondContact O-CB 3.48Å; P136-T140 VanDerWaalsContact O-CG2 3.24Å; P136-T140 WeakPolarHBondContact O-CG2 3.42Å; P136-T140 PolarHBondContact O-N 3.49Å; P136-T140 PolarHBondContact O-OG1 3.18Å; V137-T140 PolarHBondContact O-OG1 3.45Å; T140-H142 PolarHBondContact O-N 3.37Å; T140-V143 PolarHBondContact O-N 3.36Å; T140-I144 WeakPolarHBondContact O-CD1 3.16Å; T140-I144 VanDerWaalsContact O-CG1 3.22Å; T140-I144 WeakPolarHBondContact O-CG1 3.15Å; T140-I144 PolarHBondContact O-N 2.97Å; T140-L165 WeakPolarHBondContact OG1-CD2 3.42Å |
| 141 | G | 89.8 | Confident | 89.1 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V137 S138 W139 I144 I145 | V137-G141 PolarHBondContact O-N 2.71Å; V137-G141 VanDerWaalsContact O-N 3.11Å; S138-G141 PolarHBondContact O-N 2.95Å; W139-G141 VanDerWaalsContact C-N 3.34Å; W139-G141 PolarHBondContact O-N 3.47Å; G141-I144 PolarHBondContact O-N 3.34Å; G141-I145 VanDerWaalsContact O-CG1 3.26Å; G141-I145 WeakPolarHBondContact O-CG1 3.44Å; G141-I145 PolarHBondContact O-N 3.5Å |
| 142 | H | 90.5 | Very high | 87.8 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 177.8 | 174.7 | -98.3 | 0 | 0 | 0 | 112.4 | S138 W139 T140 I144 I145 Q146 | S138-H142 WeakPolarHBondContact O-CB 3.36Å; S138-H142 PolarHBondContact O-N 2.8Å; W139-H142 WeakPolarHBondContact O-CB 3.44Å; W139-H142 PolarHBondContact O-N 2.91Å; T140-H142 PolarHBondContact O-N 3.37Å; H142-I144 VanDerWaalsContact C-N 3.34Å; H142-I144 PolarHBondContact O-N 2.95Å; H142-I145 PolarHBondContact O-N 3.46Å; H142-Q146 PolarHBondContact CE1-NE2 3.22Å; H142-Q146 PolarHBondContact NE2-NE2 3.25Å; H142-Q146 WeakPolarHBondContact O-CG 3.48Å; H142-Q146 PolarHBondContact O-N 2.85Å |
| 143 | V | 88.5 | Confident | 86.3 | Confident | 27 Ų | 27 | 62 Ų | 62 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | W139 T140 I145 Q146 D147 | W139-V143 WeakPolarHBondContact O-CG2 3.23Å; W139-V143 PolarHBondContact O-N 3.4Å; T140-V143 PolarHBondContact O-N 3.36Å; V143-I145 VanDerWaalsContact C-N 3.35Å; V143-I145 PolarHBondContact O-N 3.31Å; V143-Q146 PolarHBondContact O-N 2.89Å; V143-D147 VanDerWaalsContact O-CG 3.25Å; V143-D147 PolarHBondContact O-N 3.37Å |
| 144 | I | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 177 | -67.8 | 162.9 | 0 | 0 | 0 | 110.7 | R31 T140 G141 H142 Q146 D147 F148 R159 L161 L165 | R31-I144 HydrophobicContact CG-CD1 4.1Å; T140-I144 WeakPolarHBondContact O-CD1 3.16Å; T140-I144 VanDerWaalsContact O-CG1 3.22Å; T140-I144 WeakPolarHBondContact O-CG1 3.15Å; T140-I144 PolarHBondContact O-N 2.97Å; G141-I144 PolarHBondContact O-N 3.34Å; H142-I144 VanDerWaalsContact C-N 3.34Å; H142-I144 PolarHBondContact O-N 2.95Å; I144-Q146 VanDerWaalsContact C-N 3.34Å; I144-Q146 PolarHBondContact O-N 3.12Å; I144-D147 PolarHBondContact O-N 2.99Å; I144-F148 HydrophobicContact CG2-CD2 3.74Å; I144-F148 HydrophobicContact CG2-CE2 3.71Å; I144-F148 VanDerWaalsContact O-CD2 3.23Å; I144-F148 WeakPolarHBondContact O-CD2 3.23Å; I144-F148 PolarHBondContact O-N 3.32Å; I144-R159 HydrophobicContact CG2-CB 4.2Å; I144-R159 VanDerWaalsContact CG2-O 3.31Å; I144-R159 WeakPolarHBondContact CG2-O 3.17Å; I144-L161 HydrophobicContact CB-CD2 4.31Å; I144-L161 HydrophobicContact CD1-CD2 4.08Å; I144-L161 HydrophobicContact CG2-CD2 4.13Å; I144-L161 HydrophobicContact CG2-CG 4.15Å; I144-L165 HydrophobicContact CD1-CD1 3.68Å |
| 145 | I | 87.3 | Confident | 83 | Confident | 80 Ų | 80 | 72.8 Ų | 72.8 | 41% | 0.41 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 178.8 | -66.3 | 165.1 | 0 | 0 | 0 | 110.9 | G141 H142 V143 F148 Y149 | G141-I145 VanDerWaalsContact O-CG1 3.26Å; G141-I145 WeakPolarHBondContact O-CG1 3.44Å; G141-I145 PolarHBondContact O-N 3.5Å; H142-I145 PolarHBondContact O-N 3.46Å; V143-I145 VanDerWaalsContact C-N 3.35Å; V143-I145 PolarHBondContact O-N 3.31Å; I145-F148 VanDerWaalsContact O-CB 3.29Å; I145-F148 WeakPolarHBondContact O-CB 2.94Å; I145-F148 PolarHBondContact O-N 2.98Å; I145-Y149 HydrophobicContact CG2-CD2 3.96Å; I145-Y149 HydrophobicContact CG2-CE2 3.74Å; I145-Y149 WeakPolarHBondContact O-CD2 2.65Å; I145-Y149 PolarHBondContact O-N 2.89Å |
| 146 | Q | 86.1 | Confident | 81.2 | Confident | 109 Ų | 109 | 69.2 Ų | 69.2 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.6 | -74.6 | -170.7 | -30 | 0 | 0 | 112.1 | H142 V143 I144 F148 Y149 N150 | H142-Q146 PolarHBondContact CE1-NE2 3.22Å; H142-Q146 PolarHBondContact NE2-NE2 3.25Å; H142-Q146 WeakPolarHBondContact O-CG 3.48Å; H142-Q146 PolarHBondContact O-N 2.85Å; V143-Q146 PolarHBondContact O-N 2.89Å; I144-Q146 VanDerWaalsContact C-N 3.34Å; I144-Q146 PolarHBondContact O-N 3.12Å; Q146-F148 VanDerWaalsContact C-N 3.26Å; Q146-F148 PolarHBondContact O-N 3.28Å; Q146-Y149 PolarHBondContact O-N 2.97Å; Q146-N150 PolarHBondContact O-N 3.16Å |
| 147 | D | 82.3 | Confident | 79.7 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 17% | 0.166 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.1 | -37.3 | 175.2 | -69.5 | -32.2 | 0 | 0 | 0 | 111.4 | V143 I144 Y149 N150 L153 R159 | V143-D147 VanDerWaalsContact O-CG 3.25Å; V143-D147 PolarHBondContact O-N 3.37Å; I144-D147 PolarHBondContact O-N 2.99Å; D147-Y149 VanDerWaalsContact C-N 3.27Å; D147-Y149 PolarHBondContact O-N 3.4Å; D147-N150 PolarHBondContact O-N 3.48Å; D147-L153 HydrophobicContact CB-CD1 3.91Å; D147-L153 VanDerWaalsContact O-CD1 3.31Å; D147-L153 WeakPolarHBondContact O-CD1 3.28Å; D147-R159 IonicContact OD1-NH1 3.37Å; D147-R159 VanDerWaalsContact OD2-CD 3.24Å; D147-R159 WeakPolarHBondContact OD2-CD 3.38Å; D147-R159 IonicContact OD2-CZ 3.96Å; D147-R159 IonicContact OD2-NE 3.62Å; D147-R159 IonicContact OD2-NH1 3.74Å; D147-R159 PolarHBondContact OD2-NH1 3.26Å |
| 148 | F | 79.4 | Confident | 78.5 | Confident | 51 Ų | 51 | 79 Ų | 79 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.1 | -29.6 | 177.8 | -98.8 | -69.3 | 0 | 0 | 0 | 114.8 | I144 I145 Q146 R158 R159 E160 | I144-F148 HydrophobicContact CG2-CD2 3.74Å; I144-F148 HydrophobicContact CG2-CE2 3.71Å; I144-F148 VanDerWaalsContact O-CD2 3.23Å; I144-F148 WeakPolarHBondContact O-CD2 3.23Å; I144-F148 PolarHBondContact O-N 3.32Å; I145-F148 VanDerWaalsContact O-CB 3.29Å; I145-F148 WeakPolarHBondContact O-CB 2.94Å; I145-F148 PolarHBondContact O-N 2.98Å; Q146-F148 VanDerWaalsContact C-N 3.26Å; Q146-F148 PolarHBondContact O-N 3.28Å; F148-R158 HydrophobicContact CD1-CG 3.46Å; F148-R158 VanDerWaalsContact CD1-CG 3.46Å; F148-R158 HydrophobicContact CE1-CG 3.49Å; F148-R158 VanDerWaalsContact CE1-CG 3.49Å; F148-R158 HydrophobicContact CG-CG 4.42Å; F148-R158 PolarHBondContact O-NH2 2.73Å; F148-R159 WeakPolarHBondContact CD2-O 3.13Å; F148-R159 WeakPolarHBondContact CE2-O 3.11Å; F148-R159 WeakPolarHBondContact CZ-O 3.29Å; F148-E160 HydrophobicContact CZ-CB 4.25Å; F148-E160 HydrophobicContact CZ-CG 3.99Å |
| 149 | Y | 80.4 | Confident | 77.6 | Confident | 191 Ų | 191 | 79.8 Ų | 79.8 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -103.1 | -1.2 | -176.9 | -72.1 | -70.8 | 0 | 0 | 0 | 113.5 | I145 Q146 D147 P151 | I145-Y149 HydrophobicContact CG2-CD2 3.96Å; I145-Y149 HydrophobicContact CG2-CE2 3.74Å; I145-Y149 WeakPolarHBondContact O-CD2 2.65Å; I145-Y149 PolarHBondContact O-N 2.89Å; Q146-Y149 PolarHBondContact O-N 2.97Å; D147-Y149 VanDerWaalsContact C-N 3.27Å; D147-Y149 PolarHBondContact O-N 3.4Å; Y149-P151 WeakPolarHBondContact O-CD 3.26Å |
| 150 | N | 79.6 | Confident | 77.2 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | trans | -82.2 | 114.8 | -178.2 | -171.2 | -17.7 | 0 | 0 | 0 | 110.7 | Q146 D147 L152 L153 | Q146-N150 PolarHBondContact O-N 3.16Å; D147-N150 PolarHBondContact O-N 3.48Å; N150-L152 PolarHBondContact O-N 3.08Å; N150-L152 VanDerWaalsContact O-N 3.11Å; N150-L152 WeakPolarHBondContact OD1-CB 3.31Å; N150-L152 PolarHBondContact OD1-N 2.74Å; N150-L152 VanDerWaalsContact OD1-N 3.14Å; N150-L153 HydrophobicContact CB-CD1 4.14Å; N150-L153 PolarHBondContact O-N 2.71Å | ||
| 151 | P | 74.1 | Confident | 77 | Confident | 123 Ų | 123 | 80.7 Ų | 80.7 | 80% | 0.799 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -7.4 | -175.5 | 30.9 | -37 | 0 | 0 | 0 | 113.8 | Y149 | Y149-P151 WeakPolarHBondContact O-CD 3.26Š|
| 152 | L | 70.3 | Confident | 76.9 | Confident | 153 Ų | 153 | 80.5 Ų | 80.5 | 80% | 0.801 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.7 | 178.5 | -58.7 | 176.3 | 0 | 0 | 0 | 113 | N150 | N150-L152 PolarHBondContact O-N 3.08Å; N150-L152 VanDerWaalsContact O-N 3.11Å; N150-L152 WeakPolarHBondContact OD1-CB 3.31Å; N150-L152 PolarHBondContact OD1-N 2.74Å; N150-L152 VanDerWaalsContact OD1-N 3.14Å |
| 153 | L | 65.5 | Low | 76.8 | Confident | 55 Ų | 55 | 82.5 Ų | 82.5 | 29% | 0.288 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -87.6 | 128.9 | 176.9 | -77.8 | 162.9 | 0 | 0 | 0 | 109.9 | D147 N150 | D147-L153 HydrophobicContact CB-CD1 3.91Å; D147-L153 VanDerWaalsContact O-CD1 3.31Å; D147-L153 WeakPolarHBondContact O-CD1 3.28Å; N150-L153 HydrophobicContact CB-CD1 4.14Å; N150-L153 PolarHBondContact O-N 2.71Å |
| 154 | I | 62.5 | Low | 77 | Confident | 130 Ų | 130 | 81.2 Ų | 81.2 | 67% | 0.667 | 40% | 0.397 | S | S | * | . | trans | -61.8 | 136.2 | 172.8 | -57.9 | 163.1 | 0 | 0 | 0 | 107.9 | A156 Q157 | I154-A156 HydrophobicContact CG2-CB 4.11Å; I154-A156 PolarHBondContact O-N 3.36Å; I154-Q157 PolarHBondContact O-N 2.91Å | ||
| 155 | D | 60 | Low | 77.3 | Confident | 141 Ų | 141 | 81.4 Ų | 81.4 | 75% | 0.754 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -50.1 | -29.4 | -179 | -79 | -42.3 | 0 | 0 | 0 | 113.5 | Q157 R158 | D155-Q157 PolarHBondContact O-N 3.3Å; D155-Q157 VanDerWaalsContact O-N 3.16Å; D155-R158 PolarHBondContact O-N 3.48Å |
| 156 | A | 58.6 | Low | 77.6 | Confident | 11 Ų | 11 | 84 Ų | 84 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -68.4 | -5.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I40 I154 | I40-A156 HydrophobicContact CD1-CB 3.83Å; I154-A156 HydrophobicContact CG2-CB 4.11Å; I154-A156 PolarHBondContact O-N 3.36Å |
| 157 | Q | 61.5 | Low | 78.1 | Confident | 79 Ų | 79 | 82 Ų | 82 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -117.3 | 15.9 | -179.8 | -154.7 | 174.4 | -30.7 | 0 | 0 | 112.9 | F35 I154 D155 R159 | F35-Q157 HydrophobicContact CE1-CG 4.49Å; I154-Q157 PolarHBondContact O-N 2.91Å; D155-Q157 PolarHBondContact O-N 3.3Å; D155-Q157 VanDerWaalsContact O-N 3.16Å; Q157-R159 PolarHBondContact O-N 3Å; Q157-R159 VanDerWaalsContact O-N 3.15Å |
| 158 | R | 68.9 | Low | 78.7 | Confident | 130 Ų | 130 | 80.6 Ų | 80.6 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -62 | 118 | 178.4 | -140.1 | 174.1 | -168.6 | -156.5 | -13.6 | 110 | F148 D155 | F148-R158 HydrophobicContact CD1-CG 3.46Å; F148-R158 VanDerWaalsContact CD1-CG 3.46Å; F148-R158 HydrophobicContact CE1-CG 3.49Å; F148-R158 VanDerWaalsContact CE1-CG 3.49Å; F148-R158 HydrophobicContact CG-CG 4.42Å; F148-R158 PolarHBondContact O-NH2 2.73Å; D155-R158 PolarHBondContact O-N 3.48Å |
| 159 | R | 75.6 | Confident | 79.5 | Confident | 54 Ų | 54 | 84.2 Ų | 84.2 | 20% | 0.204 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.9 | 178.6 | -77.2 | 165.4 | 177.3 | 154.2 | 6.8 | 108.6 | R31 V32 T33 I144 D147 F148 Q157 | R31-R159 VanDerWaalsContact NH2-NE 3.15Å; R31-R159 VanDerWaalsContact NH2-NH1 3.16Å; V32-R159 CarbonylContact O-C 3.57Å; V32-R159 WeakPolarHBondContact O-CA 3.4Å; T33-R159 HydrophobicContact CG2-CB 4.16Å; T33-R159 HydrophobicContact CG2-CG 3.32Å; I144-R159 HydrophobicContact CG2-CB 4.2Å; I144-R159 VanDerWaalsContact CG2-O 3.31Å; I144-R159 WeakPolarHBondContact CG2-O 3.17Å; D147-R159 IonicContact OD1-NH1 3.37Å; D147-R159 VanDerWaalsContact OD2-CD 3.24Å; D147-R159 WeakPolarHBondContact OD2-CD 3.38Å; D147-R159 IonicContact OD2-CZ 3.96Å; D147-R159 IonicContact OD2-NE 3.62Å; D147-R159 IonicContact OD2-NH1 3.74Å; D147-R159 PolarHBondContact OD2-NH1 3.26Å; F148-R159 WeakPolarHBondContact CD2-O 3.13Å; F148-R159 WeakPolarHBondContact CE2-O 3.11Å; F148-R159 WeakPolarHBondContact CZ-O 3.29Å; Q157-R159 PolarHBondContact O-N 3Å; Q157-R159 VanDerWaalsContact O-N 3.15Å |
| 160 | E | 84.2 | Confident | 80.3 | Confident | 105 Ų | 105 | 78.9 Ų | 78.9 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 154.2 | 173 | -54.5 | -175.4 | 162.5 | 0 | 0 | 112 | V32 F148 G162 | V32-E160 HydrophobicContact CB-CB 4.26Å; V32-E160 PolarHBondContact N-O 3.39Å; V32-E160 VanDerWaalsContact N-O 3.08Å; V32-E160 PolarHBondContact O-N 3.11Å; F148-E160 HydrophobicContact CZ-CB 4.25Å; F148-E160 HydrophobicContact CZ-CG 3.99Å; E160-G162 PolarHBondContact O-N 3.3Å |
| 161 | L | 85.3 | Confident | 81.2 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 121.1 | 174.8 | -70.1 | 159.7 | 0 | 0 | 0 | 109.4 | I144 L165 Y166 | I144-L161 HydrophobicContact CB-CD2 4.31Å; I144-L161 HydrophobicContact CD1-CD2 4.08Å; I144-L161 HydrophobicContact CG2-CD2 4.13Å; I144-L161 HydrophobicContact CG2-CG 4.15Å; L161-L165 HydrophobicContact CD2-CD1 3.83Å; L161-Y166 HydrophobicContact CB-CE2 4.21Å |
| 162 | G | 87.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 154.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M29 W30 E160 A164 L165 | M29-G162 CarbonylContact O-C 3.48Å; M29-G162 WeakPolarHBondContact O-CA 3.35Å; W30-G162 PolarHBondContact O-N 3.28Å; E160-G162 PolarHBondContact O-N 3.3Å; G162-A164 PolarHBondContact O-N 3.25Å; G162-L165 WeakPolarHBondContact O-CB 3.31Å; G162-L165 PolarHBondContact O-N 3.39Å; G162-L165 VanDerWaalsContact O-N 3.12Å |
| 163 | E | 90.2 | Very high | 83.5 | Confident | 133 Ų | 133 | 65.2 Ų | 65.2 | 62% | 0.621 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.4 | -32.3 | 179.5 | -65.9 | -178.5 | 178.3 | 0 | 0 | 113.1 | M29 L165 Y166 I167 | M29-E163 PolarHBondContact O-N 2.97Å; E163-L165 VanDerWaalsContact C-N 3.26Å; E163-L165 PolarHBondContact O-N 3.29Å; E163-Y166 PolarHBondContact O-N 3.47Å; E163-I167 PolarHBondContact O-N 3.33Å |
| 164 | A | 91.9 | Very high | 85 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -31.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S24 M27 M29 W30 G162 I167 G168 | S24-A164 PolarHBondContact OG-O 3.06Å; M27-A164 HydrophobicContact CB-CB 3.95Å; M27-A164 HydrophobicContact CE-CB 3.75Å; M29-A164 HydrophobicContact CB-CB 4.48Å; M29-A164 WeakPolarHBondContact O-CB 3.22Å; M29-A164 PolarHBondContact O-N 2.94Å; W30-A164 HydrophobicContact CG-CB 4.28Å; G162-A164 PolarHBondContact O-N 3.25Å; A164-I167 PolarHBondContact O-N 3.35Å; A164-G168 PolarHBondContact O-N 2.99Å |
| 165 | L | 91.9 | Very high | 86.7 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 177.9 | -67.4 | 173.9 | 0 | 0 | 0 | 110.8 | W30 V137 T140 I144 L161 G162 E163 I167 G168 W169 | W30-L165 HydrophobicContact CD2-CD2 4.37Å; W30-L165 HydrophobicContact CE3-CD2 3.83Å; W30-L165 HydrophobicContact CZ3-CD2 4.17Å; W30-L165 VanDerWaalsContact O-CD1 3.26Å; W30-L165 WeakPolarHBondContact O-CD1 3.4Å; V137-L165 HydrophobicContact CG1-CB 4.48Å; V137-L165 HydrophobicContact CG1-CD2 4.03Å; T140-L165 WeakPolarHBondContact OG1-CD2 3.42Å; I144-L165 HydrophobicContact CD1-CD1 3.68Å; L161-L165 HydrophobicContact CD2-CD1 3.83Å; G162-L165 WeakPolarHBondContact O-CB 3.31Å; G162-L165 PolarHBondContact O-N 3.39Å; G162-L165 VanDerWaalsContact O-N 3.12Å; E163-L165 VanDerWaalsContact C-N 3.26Å; E163-L165 PolarHBondContact O-N 3.29Å; L165-I167 VanDerWaalsContact C-N 3.28Å; L165-I167 PolarHBondContact O-N 2.98Å; L165-G168 WeakPolarHBondContact O-CA 3.24Å; L165-G168 PolarHBondContact O-N 3.4Å; L165-W169 PolarHBondContact O-N 3.4Å |
| 166 | Y | 94.5 | Very high | 88.5 | Confident | 136 Ų | 136 | 58.9 Ų | 58.9 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 177.5 | -64 | -76.3 | 0 | 0 | 0 | 111.8 | L161 E163 G168 W169 V170 | L161-Y166 HydrophobicContact CB-CE2 4.21Å; E163-Y166 PolarHBondContact O-N 3.47Å; Y166-G168 VanDerWaalsContact C-N 3.32Å; Y166-G168 PolarHBondContact O-N 3.25Å; Y166-W169 PolarHBondContact O-N 2.98Å; Y166-V170 WeakPolarHBondContact O-CG2 3.48Å; Y166-V170 PolarHBondContact O-N 3.33Å |
| 167 | I | 95.4 | Very high | 90.3 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.5 | -68.5 | 167.9 | 0 | 0 | 0 | 110.7 | M27 E163 A164 L165 V170 A171 | M27-I167 HydrophobicContact CE-CB 4.1Å; M27-I167 HydrophobicContact CE-CD1 3.5Å; M27-I167 VanDerWaalsContact CE-CD1 3.5Å; M27-I167 HydrophobicContact CE-CG1 4.35Å; M27-I167 HydrophobicContact CE-CG2 4.15Å; M27-I167 HydrophobicContact SD-CD1 4.05Å; E163-I167 PolarHBondContact O-N 3.33Å; A164-I167 PolarHBondContact O-N 3.35Å; L165-I167 VanDerWaalsContact C-N 3.28Å; L165-I167 PolarHBondContact O-N 2.98Å; I167-V170 PolarHBondContact O-N 3.45Å; I167-A171 WeakPolarHBondContact O-CB 3.42Å; I167-A171 PolarHBondContact O-N 2.9Å |
| 168 | G | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A164 L165 Y166 V170 A171 G172 | A164-G168 PolarHBondContact O-N 2.99Å; L165-G168 WeakPolarHBondContact O-CA 3.24Å; L165-G168 PolarHBondContact O-N 3.4Å; Y166-G168 VanDerWaalsContact C-N 3.32Å; Y166-G168 PolarHBondContact O-N 3.25Å; G168-V170 VanDerWaalsContact C-N 3.34Å; G168-V170 PolarHBondContact O-N 2.98Å; G168-A171 WeakPolarHBondContact O-CB 3.38Å; G168-A171 PolarHBondContact O-N 3.36Å; G168-G172 PolarHBondContact O-N 2.89Å |
| 169 | W | 97 | Very high | 93.1 | Very high | 127 Ų | 127 | 50.1 Ų | 50.1 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 177 | -77.6 | 99.5 | 0 | 0 | 0 | 112.7 | L134 V137 S138 L165 Y166 A173 | L134-W169 HydrophobicContact CD2-CE3 4.15Å; V137-W169 VanDerWaalsContact CG1-CD1 3.49Å; V137-W169 HydrophobicContact CG1-CD2 4.42Å; V137-W169 HydrophobicContact CG1-CG 4.04Å; S138-W169 WeakPolarHBondContact OG-CH2 3.44Å; S138-W169 VanDerWaalsContact OG-CZ2 3.29Å; S138-W169 WeakPolarHBondContact OG-CZ2 3.36Å; L165-W169 PolarHBondContact O-N 3.4Å; Y166-W169 PolarHBondContact O-N 2.98Å; W169-A173 PolarHBondContact O-N 3.36Å |
| 170 | V | 97.3 | Very high | 94 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.7 | -42 | 177.9 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | Y166 I167 G168 A173 F174 | Y166-V170 WeakPolarHBondContact O-CG2 3.48Å; Y166-V170 PolarHBondContact O-N 3.33Å; I167-V170 PolarHBondContact O-N 3.45Å; G168-V170 VanDerWaalsContact C-N 3.34Å; G168-V170 PolarHBondContact O-N 2.98Å; V170-A173 PolarHBondContact O-N 3.2Å; V170-F174 HydrophobicContact CG1-CD2 3.83Å; V170-F174 HydrophobicContact CG1-CE2 3.37Å; V170-F174 HydrophobicContact CG1-CZ 4.18Å; V170-F174 WeakPolarHBondContact O-CD2 3.35Å; V170-F174 PolarHBondContact O-N 3.43Å; V170-F174 VanDerWaalsContact O-N 3.07Å |
| 171 | A | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -47.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G17 A21 I167 G168 A173 F174 L175 | G17-A171 WeakPolarHBondContact O-CB 3.49Å; A21-A171 HydrophobicContact CB-CB 4.36Å; I167-A171 WeakPolarHBondContact O-CB 3.42Å; I167-A171 PolarHBondContact O-N 2.9Å; G168-A171 WeakPolarHBondContact O-CB 3.38Å; G168-A171 PolarHBondContact O-N 3.36Å; A171-A173 VanDerWaalsContact C-N 3.32Å; A171-A173 PolarHBondContact O-N 3.16Å; A171-F174 PolarHBondContact O-N 2.94Å; A171-F174 VanDerWaalsContact O-N 3.16Å; A171-L175 WeakPolarHBondContact O-CG 3.19Å; A171-L175 PolarHBondContact O-N 2.87Å |
| 172 | G | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.4 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C130 G168 F174 L175 F176 | C130-G172 PolarHBondContact SG-O 3.2Å; G168-G172 PolarHBondContact O-N 2.89Å; G172-F174 PolarHBondContact O-N 2.84Å; G172-L175 PolarHBondContact O-N 3.3Å; G172-F176 WeakPolarHBondContact O-CB 3.34Å; G172-F176 PolarHBondContact O-N 3.06Å |
| 173 | A | 97.3 | Very high | 94.9 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 47% | 0.471 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W169 V170 A171 F176 A177 | W169-A173 PolarHBondContact O-N 3.36Å; V170-A173 PolarHBondContact O-N 3.2Å; A171-A173 VanDerWaalsContact C-N 3.32Å; A171-A173 PolarHBondContact O-N 3.16Å; A173-F176 PolarHBondContact O-N 3.37Å; A173-A177 WeakPolarHBondContact O-CB 3.36Å; A173-A177 PolarHBondContact O-N 3.03Å |
| 174 | F | 97.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 41.3 Ų | 41.3 | 33% | 0.333 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.5 | -40.6 | 175.4 | -71.2 | -49 | 0 | 0 | 0 | 112.8 | L13 I16 V170 A171 G172 F176 A177 G178 | L13-F174 HydrophobicContact CD2-CD1 3.7Å; L13-F174 HydrophobicContact CD2-CE1 4.09Å; I16-F174 HydrophobicContact CG2-CD2 3.83Å; I16-F174 HydrophobicContact CG2-CE2 3.99Å; I16-F174 HydrophobicContact CG2-CG 4.42Å; V170-F174 HydrophobicContact CG1-CD2 3.83Å; V170-F174 HydrophobicContact CG1-CE2 3.37Å; V170-F174 HydrophobicContact CG1-CZ 4.18Å; V170-F174 WeakPolarHBondContact O-CD2 3.35Å; V170-F174 PolarHBondContact O-N 3.43Å; V170-F174 VanDerWaalsContact O-N 3.07Å; A171-F174 PolarHBondContact O-N 2.94Å; A171-F174 VanDerWaalsContact O-N 3.16Å; G172-F174 PolarHBondContact O-N 2.84Å; F174-F176 VanDerWaalsContact C-N 3.34Å; F174-A177 PolarHBondContact O-N 3.09Å; F174-G178 PolarHBondContact O-N 2.65Å |
| 175 | L | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 173.1 | -70.6 | 173.3 | 0 | 0 | 0 | 111.4 | A21 I126 C130 A171 G172 G178 G179 | A21-L175 HydrophobicContact CB-CD1 4.45Å; I126-L175 HydrophobicContact CG2-CB 4.46Å; I126-L175 HydrophobicContact CG2-CD2 4.19Å; I126-L175 WeakPolarHBondContact CG2-O 3.34Å; C130-L175 HydrophobicContact CB-CB 3.85Å; A171-L175 WeakPolarHBondContact O-CG 3.19Å; A171-L175 PolarHBondContact O-N 2.87Å; G172-L175 PolarHBondContact O-N 3.3Å; L175-G178 PolarHBondContact O-N 2.78Å; L175-G179 PolarHBondContact O-N 3.15Å |
| 176 | F | 97.6 | Very high | 93.8 | Very high | 115 Ų | 115 | 42.2 Ų | 42.2 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.8 | -53 | 176.3 | -176.5 | -104.4 | 0 | 0 | 0 | 111.3 | L127 G172 A173 F174 G178 G179 C180 | L127-F176 HydrophobicContact CD2-CD2 3.83Å; L127-F176 HydrophobicContact CD2-CE2 4.29Å; G172-F176 WeakPolarHBondContact O-CB 3.34Å; G172-F176 PolarHBondContact O-N 3.06Å; A173-F176 PolarHBondContact O-N 3.37Å; F174-F176 VanDerWaalsContact C-N 3.34Å; F176-G178 VanDerWaalsContact C-N 3.33Å; F176-G178 PolarHBondContact O-N 3.28Å; F176-G179 PolarHBondContact O-N 2.83Å; F176-C180 WeakPolarHBondContact O-CB 3.46Å; F176-C180 PolarHBondContact O-N 2.96Å; F176-C180 PolarHBondContact O-SG 3.43Å; F176-C180 VanDerWaalsContact O-SG 3.36Å |
| 177 | A | 96.6 | Very high | 93.1 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L13 A173 F174 C180 I181 | L13-A177 HydrophobicContact CD1-CB 4.35Å; A173-A177 WeakPolarHBondContact O-CB 3.36Å; A173-A177 PolarHBondContact O-N 3.03Å; F174-A177 PolarHBondContact O-N 3.09Å; A177-C180 PolarHBondContact O-N 3.03Å; A177-I181 WeakPolarHBondContact O-CB 3.24Å; A177-I181 WeakPolarHBondContact O-CD1 3.49Å; A177-I181 WeakPolarHBondContact O-CG1 3.39Å; A177-I181 PolarHBondContact O-N 3.14Å |
| 178 | G | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | S14 F174 L175 F176 I181 F182 | S14-G178 WeakPolarHBondContact OG-CA 3.37Å; F174-G178 PolarHBondContact O-N 2.65Å; L175-G178 PolarHBondContact O-N 2.78Å; F176-G178 VanDerWaalsContact C-N 3.33Å; F176-G178 PolarHBondContact O-N 3.28Å; G178-I181 PolarHBondContact O-N 3.3Å; G178-F182 WeakPolarHBondContact O-CD2 3.34Å; G178-F182 PolarHBondContact O-N 3.27Å |
| 179 | G | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L175 F176 F182 I183 | L175-G179 PolarHBondContact O-N 3.15Å; F176-G179 PolarHBondContact O-N 2.83Å; G179-F182 PolarHBondContact O-N 3.13Å; G179-I183 WeakPolarHBondContact O-CG1 3.42Å; G179-I183 PolarHBondContact O-N 3.43Å |
| 180 | C | 94.7 | Very high | 88.2 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 174.9 | -73.4 | 0 | 0 | 0 | 0 | 112.1 | F176 A177 F182 I183 C184 | F176-C180 WeakPolarHBondContact O-CB 3.46Å; F176-C180 PolarHBondContact O-N 2.96Å; F176-C180 PolarHBondContact O-SG 3.43Å; F176-C180 VanDerWaalsContact O-SG 3.36Å; A177-C180 PolarHBondContact O-N 3.03Å; C180-F182 VanDerWaalsContact C-N 3.33Å; C180-F182 PolarHBondContact O-N 3.25Å; C180-I183 PolarHBondContact O-N 2.99Å; C180-C184 VanDerWaalsContact O-CB 3.26Å; C180-C184 WeakPolarHBondContact O-CB 3.4Å; C180-C184 PolarHBondContact O-N 2.76Å; C180-C184 PolarHBondContact O-SG 2.81Å |
| 181 | I | 93.1 | Very high | 86.2 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 19% | 0.185 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 176.7 | -71.4 | 165.7 | 0 | 0 | 0 | 110.3 | L6 V9 L13 A177 G178 I183 C185 | L6-I181 HydrophobicContact CB-CG2 4.32Å; L6-I181 VanDerWaalsContact O-CG2 3.24Å; L6-I181 WeakPolarHBondContact O-CG2 3.07Å; V9-I181 HydrophobicContact CG1-CD1 4.37Å; L13-I181 HydrophobicContact CD1-CD1 3.65Å; A177-I181 WeakPolarHBondContact O-CB 3.24Å; A177-I181 WeakPolarHBondContact O-CD1 3.49Å; A177-I181 WeakPolarHBondContact O-CG1 3.39Å; A177-I181 PolarHBondContact O-N 3.14Å; G178-I181 PolarHBondContact O-N 3.3Å; I181-I183 VanDerWaalsContact C-N 3.33Å; I181-I183 PolarHBondContact O-N 2.98Å; I181-C185 VanDerWaalsContact O-CB 3.26Å; I181-C185 WeakPolarHBondContact O-CB 3.34Å; I181-C185 PolarHBondContact O-N 2.81Å; I181-C185 VanDerWaalsContact O-N 3.11Å; I181-C185 PolarHBondContact O-SG 3.38Å |
| 182 | F | 91 | Very high | 84.1 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 177 | -77 | -55.6 | 0 | 0 | 0 | 112.8 | L11 L119 I126 G178 G179 C180 N186 | L11-F182 HydrophobicContact CB-CZ 4.04Å; L11-F182 HydrophobicContact CD1-CZ 4.38Å; L119-F182 HydrophobicContact CD2-CD1 4.23Å; L119-F182 HydrophobicContact CD2-CE1 4.22Å; I126-F182 HydrophobicContact CD1-CD2 3.8Å; I126-F182 HydrophobicContact CD1-CE2 3.72Å; G178-F182 WeakPolarHBondContact O-CD2 3.34Å; G178-F182 PolarHBondContact O-N 3.27Å; G179-F182 PolarHBondContact O-N 3.13Å; C180-F182 VanDerWaalsContact C-N 3.33Å; C180-F182 PolarHBondContact O-N 3.25Å; F182-N186 WeakPolarHBondContact O-CB 3.33Å; F182-N186 PolarHBondContact O-ND2 2.83Å |
| 183 | I | 91.1 | Very high | 81.9 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.1 | -53 | 179.9 | -66.2 | 173.7 | 0 | 0 | 0 | 111.3 | T124 L127 G179 C180 I181 N186 I187 | T124-I183 HydrophobicContact CG2-CD1 3.8Å; T124-I183 HydrophobicContact CG2-CG1 4.36Å; L127-I183 HydrophobicContact CD1-CD1 3.41Å; L127-I183 VanDerWaalsContact CD1-CD1 3.41Å; L127-I183 HydrophobicContact CG-CD1 4.18Å; G179-I183 WeakPolarHBondContact O-CG1 3.42Å; G179-I183 PolarHBondContact O-N 3.43Å; C180-I183 PolarHBondContact O-N 2.99Å; I181-I183 VanDerWaalsContact C-N 3.33Å; I181-I183 PolarHBondContact O-N 2.98Å; I183-N186 PolarHBondContact O-N 2.05Å; I183-I187 HydrophobicContact CG2-CD1 3.52Å; I183-I187 HydrophobicContact CG2-CG1 4.38Å; I183-I187 WeakPolarHBondContact O-CB 3.1Å; I183-I187 WeakPolarHBondContact O-CG1 3.39Å; I183-I187 PolarHBondContact O-N 3.02Å |
| 184 | C | 87.8 | Confident | 79.6 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | -172.2 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | C180 N186 Q188 | C180-C184 VanDerWaalsContact O-CB 3.26Å; C180-C184 WeakPolarHBondContact O-CB 3.4Å; C180-C184 PolarHBondContact O-N 2.76Å; C180-C184 PolarHBondContact O-SG 2.81Å; C184-N186 VanDerWaalsContact C-N 3.26Å; C184-N186 PolarHBondContact O-N 3.11Å; C184-Q188 WeakPolarHBondContact O-CB 3.5Å; C184-Q188 WeakPolarHBondContact O-CG 3.33Å; C184-Q188 PolarHBondContact O-N 2.93Å; C184-Q188 VanDerWaalsContact O-N 3.08Å |
| 185 | C | 83.6 | Confident | 77.2 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.8 | -29.5 | -178.2 | -59 | 0 | 0 | 0 | 0 | 112.2 | N3 I181 S189 | N3-C185 PolarHBondContact ND2-O 2.85Å; N3-C185 VanDerWaalsContact ND2-O 3.16Å; I181-C185 VanDerWaalsContact O-CB 3.26Å; I181-C185 WeakPolarHBondContact O-CB 3.34Å; I181-C185 PolarHBondContact O-N 2.81Å; I181-C185 VanDerWaalsContact O-N 3.11Å; I181-C185 PolarHBondContact O-SG 3.38Å; C185-S189 PolarHBondContact O-OG 3.23Å |
| 186 | N | 80.3 | Confident | 74.7 | Confident | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -84.9 | -37.5 | -179.6 | -77.4 | -71.6 | 0 | 0 | 0 | 111.9 | R116 I120 F182 I183 C184 S189 | R116-N186 VanDerWaalsContact CD-O 3.23Å; R116-N186 WeakPolarHBondContact CD-O 3.46Å; R116-N186 HydrophobicContact CG-CB 3.7Å; I120-N186 HydrophobicContact CD1-CB 4.11Å; I120-N186 HydrophobicContact CG1-CB 3.64Å; F182-N186 WeakPolarHBondContact O-CB 3.33Å; F182-N186 PolarHBondContact O-ND2 2.83Å; I183-N186 PolarHBondContact O-N 2.05Å; C184-N186 VanDerWaalsContact C-N 3.26Å; C184-N186 PolarHBondContact O-N 3.11Å; N186-S189 PolarHBondContact O-OG 2.97Å |
| 187 | I | 78.8 | Confident | 72.2 | Confident | 81 Ų | 81 | 81 Ų | 81 | 42% | 0.415 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.6 | -49.4 | 174 | -72.7 | 175 | 0 | 0 | 0 | 111.9 | I120 I183 S189 E190 | I120-I187 HydrophobicContact CD1-CG1 4.14Å; I183-I187 HydrophobicContact CG2-CD1 3.52Å; I183-I187 HydrophobicContact CG2-CG1 4.38Å; I183-I187 WeakPolarHBondContact O-CB 3.1Å; I183-I187 WeakPolarHBondContact O-CG1 3.39Å; I183-I187 PolarHBondContact O-N 3.02Å; I187-S189 PolarHBondContact O-N 2.66Å; I187-E190 WeakPolarHBondContact O-CB 3.22Å; I187-E190 PolarHBondContact O-N 3.33Å |
| 188 | Q | 66.8 | Low | 69.5 | Low | 128 Ų | 128 | 84.2 Ų | 84.2 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.5 | -34 | -177.4 | -75.6 | 178.3 | 14.1 | 0 | 0 | 112.8 | C184 E190 D191 E192 | C184-Q188 WeakPolarHBondContact O-CB 3.5Å; C184-Q188 WeakPolarHBondContact O-CG 3.33Å; C184-Q188 PolarHBondContact O-N 2.93Å; C184-Q188 VanDerWaalsContact O-N 3.08Å; Q188-E190 PolarHBondContact O-N 2.93Å; Q188-E190 VanDerWaalsContact O-N 3.09Å; Q188-D191 PolarHBondContact O-N 2.94Å; Q188-D191 VanDerWaalsContact O-N 3.15Å; Q188-E192 PolarHBondContact O-N 3.46Å; Q188-E192 VanDerWaalsContact O-N 3.07Å |
| 189 | S | 60.4 | Low | 67.2 | Low | 12 Ų | 12 | 94.1 Ų | 94.1 | 8% | 0.084 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68.7 | -6.2 | 177.4 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | R116 C185 N186 I187 | R116-S189 PolarHBondContact NE-OG 2.99Å; R116-S189 PolarHBondContact NH1-O 2.69Å; R116-S189 PolarHBondContact NH1-OG 3.26Å; R116-S189 PolarHBondContact NH2-O 3.37Å; R116-S189 PolarHBondContact NH2-OG 3.33Å; C185-S189 PolarHBondContact O-OG 3.23Å; N186-S189 PolarHBondContact O-OG 2.97Å; I187-S189 PolarHBondContact O-N 2.66Å |
| 190 | E | 58 | Low | 65 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -86.9 | -40.4 | 172.8 | -146.6 | 161.7 | 120.5 | 0 | 0 | 110.3 | I187 Q188 K193 | I187-E190 WeakPolarHBondContact O-CB 3.22Å; I187-E190 PolarHBondContact O-N 3.33Å; Q188-E190 PolarHBondContact O-N 2.93Å; Q188-E190 VanDerWaalsContact O-N 3.09Å; E190-K193 PolarHBondContact O-N 3.01Å |
| 191 | D | 56.2 | Low | 62.7 | Low | 125 Ų | 125 | 107.1 Ų | 107.1 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -76.6 | -16.6 | 175.3 | -78.4 | -30.1 | 0 | 0 | 0 | 114.5 | Q188 K193 P194 | Q188-D191 PolarHBondContact O-N 2.94Å; Q188-D191 VanDerWaalsContact O-N 3.15Å; D191-K193 PolarHBondContact O-N 2.83Å; D191-P194 WeakPolarHBondContact O-CD 3.31Å; D191-P194 WeakPolarHBondContact O-CG 3.34Å |
| 192 | E | 52.7 | Low | 60.5 | Low | 167 Ų | 167 | 110.9 Ų | 110.9 | 78% | 0.78 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.3 | 168.9 | -75.9 | -161.1 | 126.3 | 0 | 0 | 113.4 | Q188 | Q188-E192 PolarHBondContact O-N 3.46Å; Q188-E192 VanDerWaalsContact O-N 3.07Å |
| 193 | K | 49.1 | Very low | 58.5 | Low | 161 Ų | 161 | 114.6 Ų | 114.6 | 70% | 0.7 | 57% | 0.565 | S | S | * | * | trans | -116.7 | 38.7 | 174.3 | -73.2 | -169.1 | 178.6 | -179.6 | 0 | 116.7 | E190 D191 | E190-K193 PolarHBondContact O-N 3.01Å; D191-K193 PolarHBondContact O-N 2.83Å | ||
| 194 | P | 49 | Very low | 56.5 | Low | 98 Ų | 98 | 116.4 Ų | 116.4 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -110.2 | 37.1 | 165.9 | 41.8 | -35.3 | 0 | 0 | 0 | 112.8 | D191 | D191-P194 WeakPolarHBondContact O-CD 3.31Å; D191-P194 WeakPolarHBondContact O-CG 3.34Å |
| 195 | E | 48.6 | Very low | 54.4 | Low | 185 Ų | 185 | 123.3 Ų | 123.3 | 86% | 0.864 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -158.4 | 77 | 169.6 | -124.6 | 175.9 | -162.3 | 0 | 0 | 114.6 | ||
| 196 | K | 42.8 | Very low | 52.9 | Low | 194 Ų | 194 | 133.3 Ų | 133.3 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | trans | -165.4 | 46.5 | 148.6 | -109.2 | 171.8 | -166.8 | 179.8 | 0 | 111.7 | T198 | K196-T198 PolarHBondContact O-N 2.95Š| ||
| 197 | Y | 46.5 | Very low | 51.2 | Low | 209 Ų | 209 | 138.5 Ų | 138.5 | 82% | 0.82 | 68% | 0.678 | S | S | * | * | trans | -86.4 | 62.7 | 150.1 | -71 | -78.2 | 0 | 0 | 0 | 108.3 | Y199 | Y197-Y199 PolarHBondContact O-N 3.13Š| ||
| 198 | T | 40.4 | Very low | 49.5 | Very low | 103 Ų | 103 | 145 Ų | 145 | 63% | 0.632 | 70% | 0.699 | S | S | * | * | trans | -68.8 | 92.2 | 155.6 | -54.2 | 0 | 0 | 0 | 0 | 105.4 | K196 L200 | K196-T198 PolarHBondContact O-N 2.95Å; T198-L200 HydrophobicContact CG2-CD1 4.04Å; T198-L200 PolarHBondContact O-N 2.9Å | ||
| 199 | Y | 45 | Very low | 48.9 | Very low | 209 Ų | 209 | 144.5 Ų | 144.5 | 82% | 0.82 | 71% | 0.705 | S | S | * | * | trans | -56.2 | 90 | 153.6 | -100.9 | -89.8 | 0 | 0 | 0 | 106.3 | Y197 K201 | Y197-Y199 PolarHBondContact O-N 3.13Å; Y199-K201 PolarHBondContact O-N 2.91Å | ||
| 200 | L | 48.3 | Very low | 48.2 | Very low | 137 Ų | 137 | 150 Ų | 150 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -74.4 | 71.7 | 161.4 | -140.9 | 112.4 | 0 | 0 | 0 | 106.1 | T198 T202 | T198-L200 HydrophobicContact CG2-CD1 4.04Å; T198-L200 PolarHBondContact O-N 2.9Å; L200-T202 VanDerWaalsContact CD2-OG1 3.29Å; L200-T202 WeakPolarHBondContact CD2-OG1 3.5Å; L200-T202 PolarHBondContact O-N 2.85Å | ||
| 201 | K | 47.1 | Very low | 48 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -74.5 | 76.6 | 164.1 | -172.2 | -179.7 | -178.6 | 179.8 | 0 | 106.2 | Y199 S203 | Y199-K201 PolarHBondContact O-N 2.91Å; K201-S203 PolarHBondContact O-N 2.82Å | ||
| 202 | T | 46 | Very low | 47.9 | Very low | 115 Ų | 115 | 152 Ų | 152 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -72.8 | 72.4 | 159.9 | -53.8 | 0 | 0 | 0 | 0 | 107.1 | L200 G204 | L200-T202 VanDerWaalsContact CD2-OG1 3.29Å; L200-T202 WeakPolarHBondContact CD2-OG1 3.5Å; L200-T202 PolarHBondContact O-N 2.85Å; T202-G204 PolarHBondContact O-N 2.93Å | ||
| 203 | S | 49.4 | Very low | 47.5 | Very low | 79 Ų | 79 | 150.1 Ų | 150.1 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | trans | -72.1 | 105 | 160.2 | 178.6 | 0 | 0 | 0 | 0 | 105.5 | K201 Y205 | K201-S203 PolarHBondContact O-N 2.82Å; S203-Y205 VanDerWaalsContact C-N 3.31Å; S203-Y205 PolarHBondContact O-N 2.88Å | ||
| 204 | G | 49.6 | Very low | 47.4 | Very low | 68 Ų | 68 | 150.9 Ų | 150.9 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -60.7 | 94 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T202 R206 | T202-G204 PolarHBondContact O-N 2.93Å; G204-R206 PolarHBondContact O-N 3.14Å; G204-R206 VanDerWaalsContact O-N 3.15Å | ||
| 205 | Y | 44.1 | Very low | 47.2 | Very low | 210 Ų | 210 | 155 Ų | 155 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -75 | 96.7 | 167.9 | -147.2 | -90.1 | 0 | 0 | 0 | 107 | S203 P207 | S203-Y205 VanDerWaalsContact C-N 3.31Å; S203-Y205 PolarHBondContact O-N 2.88Å; Y205-P207 WeakPolarHBondContact O-CD 2.99Å | ||
| 206 | R | 52.5 | Low | 47.3 | Very low | 227 Ų | 227 | 151.8 Ų | 151.8 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 118.7 | 164.3 | -78.1 | -167.4 | 177.8 | -166.6 | 0.7 | 107.5 | G204 Y208 | G204-R206 PolarHBondContact O-N 3.14Å; G204-R206 VanDerWaalsContact O-N 3.15Å; R206-Y208 PolarHBondContact O-N 3.31Å |
| 207 | P | 44.9 | Very low | 47 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 130.5 | 169.5 | 25.3 | -29.8 | 0 | 0 | 0 | 109.1 | Y205 T209 | Y205-P207 WeakPolarHBondContact O-CD 2.99Å; P207-T209 PolarHBondContact O-N 3.3Å |
| 208 | Y | 42.8 | Very low | 46.8 | Very low | 216 Ų | 216 | 145.9 Ų | 145.9 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 123.2 | 175.6 | -134.1 | -90.1 | 0 | 0 | 0 | 108.9 | R206 | R206-Y208 PolarHBondContact O-N 3.31Š|
| 209 | T | 53.8 | Low | 47.1 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 127.2 | 165.8 | 39.6 | 0 | 0 | 0 | 0 | 109.2 | P207 Q211 | P207-T209 PolarHBondContact O-N 3.3Å; T209-Q211 PolarHBondContact O-N 3.17Å |
| 210 | P | 45.7 | Very low | 46.7 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 129.1 | 176.2 | -17.8 | 29.7 | 0 | 0 | 0 | 111.6 | ||
| 211 | Q | 52.7 | Low | 46.6 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 142.8 | 165.8 | -80.5 | 176.8 | -69.3 | 0 | 0 | 110.2 | T209 | T209-Q211 PolarHBondContact O-N 3.17Š|
| 212 | P | 54.8 | Low | 46.2 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 148.4 | 172.7 | 29 | -31.3 | 0 | 0 | 0 | 111.4 | L214 | P212-L214 PolarHBondContact O-N 2.75Š|
| 213 | P | 43.5 | Very low | 45.8 | Very low | 128 Ų | 128 | 153 Ų | 153 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 124.2 | -179.7 | 28 | -31.9 | 0 | 0 | 0 | 111.4 | ||
| 214 | L | 47.8 | Very low | 45.1 | Very low | 176 Ų | 176 | 156 Ų | 156 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 122.3 | 168.8 | -88.1 | 148 | 0 | 0 | 0 | 109.8 | P212 | P212-L214 PolarHBondContact O-N 2.75Š|
| 215 | Q | 46 | Very low | 44.7 | Very low | 185 Ų | 185 | 158.1 Ų | 158.1 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 150.5 | 171.2 | -71.4 | 167.2 | -39.5 | 0 | 0 | 111.3 | ||
| 216 | P | 48.8 | Very low | 44.4 | Very low | 118 Ų | 118 | 158.4 Ų | 158.4 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 135.6 | 176.3 | 34.5 | -27.8 | 0 | 0 | 0 | 112.3 | ||
| 217 | L | 38.4 | Very low | 43.4 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | -162.2 | 164.8 | 156.9 | -132.1 | 101.8 | 0 | 0 | 0 | 110 | ||||
| 218 | P | 42.3 | Very low | 42.8 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | -116.9 | 173.8 | -92.7 | 33.4 | -13.8 | 0 | 0 | 0 | 113.1 | |||||
| 219 | Q | 46.4 | Very low | 42.9 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -56.5 | 131.6 | 180 | -66.9 | 171.8 | -69 | 0 | 0 | 113.4 | ||||
| 220 | Q | 35.3 | Very low | 41.8 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -136.6 | 134 | 152.6 | -89.8 | -170.5 | -29.8 | 0 | 0 | 113.3 | ||||
| 221 | L | 46.3 | Very low | 41 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -67 | 122.8 | -179.4 | -167 | 95.3 | 0 | 0 | 0 | 111.3 | ||||
| 222 | V | 40.3 | Very low | 40 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -139.7 | 128.8 | 162.2 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 223 | F | 37.5 | Very low | 38.9 | Very low | 181 Ų | 181 | 153.4 Ų | 153.4 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -93.4 | 179.7 | -174.2 | -166.3 | -102.6 | 0 | 0 | 0 | 110.9 | ||||
| 224 | I | 34.8 | Very low | 38.3 | Very low | 142 Ų | 142 | 152 Ų | 152 | 73% | 0.728 | 80% | 0.803 | S | S | * | * | trans | 101.2 | 140 | 159 | -48.2 | 159.7 | 0 | 0 | 0 | 114.8 | ||||
| 225 | P | 40.3 | Very low | 37.4 | Very low | 112 Ų | 112 | 155 Ų | 155 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | -139.7 | -175.9 | -49.2 | 41.2 | -20.4 | 0 | 0 | 0 | 113.3 | ||||
| 226 | R | 37.9 | Very low | 36.7 | Very low | 216 Ų | 216 | 154.6 Ų | 154.6 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -73 | 142.1 | 175.2 | -179.4 | 179.4 | -174 | 138.5 | 2.8 | 113.8 | E228 | R226-E228 IonicContact NH2-OE2 3.76Š| ||
| 227 | S | 30.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 154 Ų | 154 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -148.4 | 110.6 | 152.4 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 228 | E | 32.6 | Very low | 36.4 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | trans | -103.5 | 176.8 | 158.1 | -110.3 | -164.5 | 150.8 | 0 | 0 | 107.3 | R226 | R226-E228 IonicContact NH2-OE2 3.76Š| ||
| 229 | P | 45.1 | Very low | 36 | Very low | 92 Ų | 92 | 151.4 Ų | 151.4 | 60% | 0.597 | 79% | 0.789 | S | S | * | * | cis | -135.4 | 169.1 | -5.8 | 33 | -13.6 | 0 | 0 | 0 | 113.9 | ||||
| 230 | H | 30.4 | Very low | 35.4 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | trans | -150.1 | 136.1 | 141.2 | -87.1 | -55.4 | 0 | 0 | 0 | 110.2 | ||||
| 231 | S | 29.5 | Very low | 35.2 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -122.9 | 167.1 | -170.3 | 51 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 232 | M | 31.8 | Very low | 34.3 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 93.1 | 133.7 | 163.2 | -54.7 | -69.4 | -178.1 | 0 | 0 | 116 | ||||
| 233 | L | 31.6 | Very low | 33.7 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | cis | -175.1 | 147.9 | -5.4 | -169.9 | 85.7 | 0 | 0 | 0 | 109.4 | ||||
| 234 | S | 30.4 | Very low | 33.4 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | 72.5 | 116.7 | 147.8 | -137.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 235 | R | 30.2 | Very low | 33 | Very low | 237 Ų | 237 | 137.3 Ų | 137.3 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | 165 | 116 | 89.3 | -173.7 | 174.3 | -102.4 | 166 | -6.6 | 110.7 | |||||
| 236 | H | 31.1 | Very low | 32.6 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 82% | 0.819 | 74% | 0.742 | S | S | * | * | trans | -85.3 | 177 | 165 | -115.6 | -18.3 | 0 | 0 | 0 | 109.6 | ||||
| 237 | P | 46 | Very low | 32.2 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | cis | -145 | 175.3 | 15.2 | 33 | -8.4 | 0 | 0 | 0 | 117.9 | ||||
| 238 | S | 34.2 | Very low | 32.8 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | trans | 65 | 140.1 | 144.5 | -58.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 239 | T | 34 | Very low | 32.7 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | cis | -161.5 | 118.7 | 36.6 | -14.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 240 | V | 32.7 | Very low | 32.3 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | 31.7 | 135.6 | 83 | -125.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 241 | Y | 30.9 | Very low | 32.5 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | cis | -160.5 | 132.6 | 38 | -115.9 | -90.1 | 0 | 0 | 0 | 107.6 | ||||
| 242 | S | 28.5 | Very low | 32.8 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | 82.8 | 127.6 | 95 | 77.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 243 | S | 28.4 | Very low | 33.2 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | 71.8 | 146.4 | 91.3 | -124.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 244 | E | 29.4 | Very low | 33.6 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | cis | -172 | 154.9 | -2.5 | -140.8 | 175.5 | 107.7 | 0 | 0 | 106.2 | ||||
| 245 | S | 28.1 | Very low | 34.1 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 57% | 0.566 | 74% | 0.735 | S | S | * | * | trans | 67 | 138.3 | 138 | 93.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 246 | R | 31.5 | Very low | 34.6 | Very low | 219 Ų | 219 | 132.7 Ų | 132.7 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | 113.7 | 98 | 123.3 | -153.9 | 170.5 | -65.2 | -140.9 | 1.7 | 116.4 | |||||
| 247 | Y | 29.8 | Very low | 35 | Very low | 219 Ų | 219 | 136.1 Ų | 136.1 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -46.8 | 149.3 | 149.1 | -79.4 | -83.5 | 0 | 0 | 0 | 111.6 | ||||
| 248 | P | 41.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | -144.5 | 163.2 | 82.9 | 31.2 | -9.9 | 0 | 0 | 0 | 116.7 | |||||
| 249 | S | 31.6 | Very low | 34.4 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -31.9 | 149.2 | 161.2 | 50.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 250 | V | 36.2 | Very low | 34.5 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | 161 | 128.5 | 110.6 | 162.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 251 | H | 34.3 | Very low | 34.6 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | 43.6 | 147.6 | 148.6 | -93.6 | -97.7 | 0 | 0 | 0 | 125.6 | ||||
| 252 | S | 37.4 | Very low | 34.8 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 71.1 | 127.8 | 151.7 | -74.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 253 | G | 38.4 | Very low | 35.2 | Very low | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | cis | 138 | 146.4 | 21.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 254 | V | 41.3 | Very low | 35.7 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 79.3 | 99.4 | 152 | -169.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 255 | A | 40.2 | Very low | 36.2 | Very low | 70 Ų | 70 | 144.5 Ų | 144.5 | 58% | 0.579 | 79% | 0.789 | S | S | * | * | 86.2 | 148.8 | 118.7 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 256 | Y | 39.9 | Very low | 36.9 | Very low | 215 Ų | 215 | 149.8 Ų | 149.8 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | 82.6 | 94.1 | 160.9 | -50.1 | -72.9 | 0 | 0 | 0 | 117.7 | ||||
| 257 | L | 40.2 | Very low | 37.4 | Very low | 248 Ų | 248 | 143.5 Ų | 143.5 | 100% | 1.298 | 81% | 0.806 | S | S | * | * | -161.1 | 0 | 111.7 | -97.9 | 159.5 | 0 | 0 | 0 | 109.8 |
Retrieved 257 of 257 residues in 132 ms
(Link to these results)