| 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 | 58.3 | Low | 77 | Confident | 137 Ų | 137 | 83.3 Ų | 83.3 | 68% | 0.675 | 42% | 0.421 | S | S | * | . | 0 | 92.2 | 0 | -75.6 | -167.9 | 176.8 | 0 | 0 | 111.5 | M6 E25 | M1-M6 HydrophobicContact CB-CE 4.12Å; M1-M6 HydrophobicContact SD-CE 4.36Å; M1-E25 WeakPolarHBondContact CA-OE1 3.37Å; M1-E25 WeakPolarHBondContact CA-OE2 3.29Å; M1-E25 VanDerWaalsContact CG-OE2 3.27Å; M1-E25 WeakPolarHBondContact CG-OE2 3.45Å; M1-E25 VanDerWaalsContact N-CD 3.26Å; M1-E25 PolarHBondContact N-OE1 3.5Å; M1-E25 PolarHBondContact N-OE2 3.5Å | |||
| 2 | D | 76.1 | Confident | 76.8 | Confident | 110 Ų | 110 | 78.3 Ų | 78.3 | 59% | 0.588 | 40% | 0.401 | S | S | * | . | trans | -62.5 | 149.8 | 160.8 | -64.2 | -47.6 | 0 | 0 | 0 | 110.5 | E4 V5 M6 | D2-E4 VanDerWaalsContact C-N 3.26Å; D2-E4 PolarHBondContact O-N 3.09Å; D2-V5 HydrophobicContact CB-CG2 4.36Å; D2-V5 PolarHBondContact O-N 3.25Å; D2-M6 PolarHBondContact O-N 3.47Å; D2-M6 VanDerWaalsContact O-N 3.11Å | ||
| 3 | Q | 78.7 | Confident | 76.7 | Confident | 124 Ų | 124 | 80.8 Ų | 80.8 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58 | -39.5 | -176.3 | -176.8 | 63.8 | 53.1 | 0 | 0 | 112 | M6 D7 | Q3-M6 WeakPolarHBondContact O-CB 3.3Å; Q3-M6 PolarHBondContact O-N 3.35Å; Q3-D7 PolarHBondContact NE2-OD1 3.23Å; Q3-D7 PolarHBondContact O-N 3.3Å |
| 4 | E | 75.9 | Confident | 76.6 | Confident | 140 Ų | 140 | 87.2 Ų | 87.2 | 65% | 0.654 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 179.6 | -176.9 | 171.4 | -160.7 | 0 | 0 | 112.2 | D2 M6 D7 I8 | D2-E4 VanDerWaalsContact C-N 3.26Å; D2-E4 PolarHBondContact O-N 3.09Å; E4-M6 VanDerWaalsContact C-N 3.3Å; E4-M6 PolarHBondContact O-N 3.35Å; E4-D7 PolarHBondContact O-N 3.29Å; E4-I8 HydrophobicContact CG-CD1 4.35Å; E4-I8 WeakPolarHBondContact O-CG1 3.44Å; E4-I8 PolarHBondContact O-N 2.95Å |
| 5 | V | 77 | Confident | 76.6 | Confident | 7 Ų | 7 | 91.1 Ų | 91.1 | 4% | 0.042 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 176 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | D2 I8 V9 E25 I28 I32 | D2-V5 HydrophobicContact CB-CG2 4.36Å; D2-V5 PolarHBondContact O-N 3.25Å; V5-I8 PolarHBondContact O-N 3.4Å; V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.39Å; V5-V9 PolarHBondContact O-N 3.49Å; V5-E25 HydrophobicContact CG1-CG 4.27Å; V5-I28 HydrophobicContact CG1-CG2 4.25Å; V5-I32 HydrophobicContact CG2-CD1 4.46Å |
| 6 | M | 81.8 | Confident | 76 | Confident | 69 Ų | 69 | 89.3 Ų | 89.3 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 176.2 | -170.4 | 178.4 | -57.6 | 0 | 0 | 112.2 | M1 D2 Q3 E4 I8 V9 N10 | M1-M6 HydrophobicContact CB-CE 4.12Å; M1-M6 HydrophobicContact SD-CE 4.36Å; D2-M6 PolarHBondContact O-N 3.47Å; D2-M6 VanDerWaalsContact O-N 3.11Å; Q3-M6 WeakPolarHBondContact O-CB 3.3Å; Q3-M6 PolarHBondContact O-N 3.35Å; E4-M6 VanDerWaalsContact C-N 3.3Å; E4-M6 PolarHBondContact O-N 3.35Å; M6-I8 VanDerWaalsContact C-N 3.34Å; M6-I8 PolarHBondContact O-N 3.32Å; M6-V9 PolarHBondContact O-N 3.17Å; M6-N10 WeakPolarHBondContact O-CB 3.39Å; M6-N10 PolarHBondContact O-N 2.97Å; M6-N10 PolarHBondContact O-ND2 3.37Å |
| 7 | D | 81.1 | Confident | 75.3 | Confident | 73 Ų | 73 | 84.8 Ų | 84.8 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.1 | -67.5 | -17.1 | 0 | 0 | 0 | 110.7 | Q3 E4 N10 I11 | Q3-D7 PolarHBondContact NE2-OD1 3.23Å; Q3-D7 PolarHBondContact O-N 3.3Å; E4-D7 PolarHBondContact O-N 3.29Å; D7-N10 PolarHBondContact O-N 3.4Å; D7-I11 VanDerWaalsContact O-CG1 3.27Å; D7-I11 WeakPolarHBondContact O-CG1 3.35Å; D7-I11 PolarHBondContact O-N 2.85Å |
| 8 | I | 80.5 | Confident | 74.7 | Confident | 65 Ų | 65 | 89.1 Ų | 89.1 | 33% | 0.333 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 176.1 | -65.6 | 165.3 | 0 | 0 | 0 | 111.2 | E4 V5 M6 N10 I11 A12 I32 | E4-I8 HydrophobicContact CG-CD1 4.35Å; E4-I8 WeakPolarHBondContact O-CG1 3.44Å; E4-I8 PolarHBondContact O-N 2.95Å; V5-I8 PolarHBondContact O-N 3.4Å; M6-I8 VanDerWaalsContact C-N 3.34Å; M6-I8 PolarHBondContact O-N 3.32Å; I8-N10 VanDerWaalsContact C-N 3.28Å; I8-N10 PolarHBondContact O-N 2.91Å; I8-I11 PolarHBondContact O-N 3.24Å; I8-A12 PolarHBondContact O-N 3.16Å; I8-I32 HydrophobicContact CD1-CG2 4.33Å |
| 9 | V | 75.7 | Confident | 74.1 | Confident | 32 Ų | 32 | 88 Ų | 88 | 19% | 0.194 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | V5 M6 A12 K13 I28 | V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.39Å; V5-V9 PolarHBondContact O-N 3.49Å; M6-V9 PolarHBondContact O-N 3.17Å; V9-A12 PolarHBondContact O-N 3.38Å; V9-K13 HydrophobicContact CG1-CD 4.47Å; V9-K13 WeakPolarHBondContact O-CG 3.29Å; V9-K13 PolarHBondContact O-N 2.98Å; V9-K13 VanDerWaalsContact O-N 3.09Å; V9-I28 HydrophobicContact CG2-CD1 3.47Å; V9-I28 VanDerWaalsContact CG2-CD1 3.47Å |
| 10 | N | 81.5 | Confident | 73.4 | Confident | 67 Ų | 67 | 89.5 Ų | 89.5 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.2 | -41 | 178.4 | -71.4 | -25.7 | 0 | 0 | 0 | 112.3 | M6 D7 I8 A12 K13 E14 | M6-N10 WeakPolarHBondContact O-CB 3.39Å; M6-N10 PolarHBondContact O-N 2.97Å; M6-N10 PolarHBondContact O-ND2 3.37Å; D7-N10 PolarHBondContact O-N 3.4Å; I8-N10 VanDerWaalsContact C-N 3.28Å; I8-N10 PolarHBondContact O-N 2.91Å; N10-A12 VanDerWaalsContact C-N 3.33Å; N10-A12 PolarHBondContact O-N 3.42Å; N10-K13 WeakPolarHBondContact O-CB 3.41Å; N10-K13 PolarHBondContact O-N 3.34Å; N10-E14 PolarHBondContact O-N 3.01Å |
| 11 | I | 80.8 | Confident | 73 | Confident | 92 Ų | 92 | 89.1 Ų | 89.1 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 173.9 | -66.7 | 164.2 | 0 | 0 | 0 | 110.2 | D7 I8 K13 E14 L15 | D7-I11 VanDerWaalsContact O-CG1 3.27Å; D7-I11 WeakPolarHBondContact O-CG1 3.35Å; D7-I11 PolarHBondContact O-N 2.85Å; I8-I11 PolarHBondContact O-N 3.24Å; I11-K13 VanDerWaalsContact C-N 3.27Å; I11-K13 PolarHBondContact O-N 2.91Å; I11-E14 PolarHBondContact O-N 2.93Å; I11-E14 VanDerWaalsContact O-N 3.16Å; I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.3Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.4Å |
| 12 | A | 74.2 | Confident | 73.5 | Confident | 23 Ų | 23 | 89.5 Ų | 89.5 | 19% | 0.19 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -58.3 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I8 V9 N10 L15 G17 F20 | I8-A12 PolarHBondContact O-N 3.16Å; V9-A12 PolarHBondContact O-N 3.38Å; N10-A12 VanDerWaalsContact C-N 3.33Å; N10-A12 PolarHBondContact O-N 3.42Å; A12-L15 PolarHBondContact O-N 3.36Å; A12-G17 WeakPolarHBondContact O-CA 3.47Å; A12-G17 PolarHBondContact O-N 2.96Å; A12-F20 HydrophobicContact CB-CD2 4.07Å |
| 13 | K | 75.9 | Confident | 73.2 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 48% | 0.483 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 173.4 | -72 | 172 | 179.2 | 174.1 | 0 | 112.6 | V9 N10 I11 L15 G16 | V9-K13 HydrophobicContact CG1-CD 4.47Å; V9-K13 WeakPolarHBondContact O-CG 3.29Å; V9-K13 PolarHBondContact O-N 2.98Å; V9-K13 VanDerWaalsContact O-N 3.09Å; N10-K13 WeakPolarHBondContact O-CB 3.41Å; N10-K13 PolarHBondContact O-N 3.34Å; I11-K13 VanDerWaalsContact C-N 3.27Å; I11-K13 PolarHBondContact O-N 2.91Å; K13-L15 PolarHBondContact O-N 2.99Å; K13-G16 PolarHBondContact O-N 3.47Å; K13-G16 VanDerWaalsContact O-N 3.09Å |
| 14 | E | 75.5 | Confident | 72.8 | Confident | 171 Ų | 171 | 85.2 Ų | 85.2 | 80% | 0.799 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.1 | -33.9 | 177 | -74 | -173.5 | 173 | 0 | 0 | 112.6 | N10 I11 G16 | N10-E14 PolarHBondContact O-N 3.01Å; I11-E14 PolarHBondContact O-N 2.93Å; I11-E14 VanDerWaalsContact O-N 3.16Å; E14-G16 PolarHBondContact O-N 3.05Å |
| 15 | L | 75.6 | Confident | 72.4 | Confident | 146 Ų | 146 | 81.2 Ų | 81.2 | 76% | 0.764 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 5.9 | 177.2 | -66.6 | 175.7 | 0 | 0 | 0 | 113.9 | I11 A12 K13 G17 | I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.3Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.4Å; A12-L15 PolarHBondContact O-N 3.36Å; K13-L15 PolarHBondContact O-N 2.99Å; L15-G17 VanDerWaalsContact C-N 3.3Å |
| 16 | G | 68.1 | Low | 72.2 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 63% | 0.629 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 16.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K13 E14 E18 | K13-G16 PolarHBondContact O-N 3.47Å; K13-G16 VanDerWaalsContact O-N 3.09Å; E14-G16 PolarHBondContact O-N 3.05Å; G16-E18 PolarHBondContact O-N 3.2Å |
| 17 | G | 63.4 | Low | 71.9 | Confident | 13 Ų | 13 | 84.3 Ų | 84.3 | 13% | 0.134 | 47% | 0.465 | C | S | . | . | trans | -79 | 47.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A12 L15 G19 F20 | A12-G17 WeakPolarHBondContact O-CA 3.47Å; A12-G17 PolarHBondContact O-N 2.96Å; L15-G17 VanDerWaalsContact C-N 3.3Å; G17-G19 PolarHBondContact O-N 3Å; G17-G19 VanDerWaalsContact O-N 3.14Å; G17-F20 WeakPolarHBondContact O-CB 3.49Å; G17-F20 WeakPolarHBondContact O-CD2 3.27Å; G17-F20 PolarHBondContact O-N 3.16Å | ||
| 18 | E | 64.9 | Low | 71.7 | Confident | 162 Ų | 162 | 81.9 Ų | 81.9 | 76% | 0.757 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -63.3 | -19.7 | -179 | -148.3 | 144.2 | -152.3 | 0 | 0 | 111.8 | G16 F20 T21 | G16-E18 PolarHBondContact O-N 3.2Å; E18-F20 VanDerWaalsContact C-N 3.3Å; E18-F20 PolarHBondContact O-N 3.44Å; E18-T21 PolarHBondContact O-OG1 3.39Å; E18-T21 VanDerWaalsContact O-OG1 3.11Å |
| 19 | G | 63.1 | Low | 71.4 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 71% | 0.711 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -76.1 | -5.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G17 | G17-G19 PolarHBondContact O-N 3Å; G17-G19 VanDerWaalsContact O-N 3.14Å |
| 20 | F | 60.9 | Low | 71.5 | Confident | 118 Ų | 118 | 89 Ų | 89 | 52% | 0.518 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -88.2 | -4.6 | 175.2 | -63.4 | -63.1 | 0 | 0 | 0 | 113.2 | A12 G17 E18 D22 M23 | A12-F20 HydrophobicContact CB-CD2 4.07Å; G17-F20 WeakPolarHBondContact O-CB 3.49Å; G17-F20 WeakPolarHBondContact O-CD2 3.27Å; G17-F20 PolarHBondContact O-N 3.16Å; E18-F20 VanDerWaalsContact C-N 3.3Å; E18-F20 PolarHBondContact O-N 3.44Å; F20-D22 PolarHBondContact O-N 3.44Å; F20-M23 HydrophobicContact CB-SD 4.47Å; F20-M23 HydrophobicContact CD1-CG 4.47Å; F20-M23 HydrophobicContact CD1-SD 3.46Å; F20-M23 WeakPolarHBondContact CD1-SD 3.45Å; F20-M23 HydrophobicContact CE1-SD 4.15Å; F20-M23 HydrophobicContact CG-SD 4.4Å; F20-M23 WeakPolarHBondContact O-CB 3.3Å; F20-M23 PolarHBondContact O-N 3.28Å |
| 21 | T | 63.7 | Low | 71 | Confident | 82 Ų | 82 | 93.9 Ų | 93.9 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25 | 178.5 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | E18 M23 | E18-T21 PolarHBondContact O-OG1 3.39Å; E18-T21 VanDerWaalsContact O-OG1 3.11Å; T21-M23 VanDerWaalsContact C-N 3.29Å |
| 22 | D | 68.8 | Low | 70.6 | Confident | 145 Ų | 145 | 92.4 Ų | 92.4 | 78% | 0.775 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.4 | 176.6 | -69.4 | -5.4 | 0 | 0 | 0 | 112.4 | F20 I24 | F20-D22 PolarHBondContact O-N 3.44Å; D22-I24 PolarHBondContact O-N 3Å |
| 23 | M | 69.4 | Low | 70.2 | Confident | 47 Ų | 47 | 93.2 Ų | 93.2 | 23% | 0.232 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -72.3 | 115.2 | 174.5 | -67.9 | -175.7 | 60.3 | 0 | 0 | 109.3 | F20 T21 D27 I28 | F20-M23 HydrophobicContact CB-SD 4.47Å; F20-M23 HydrophobicContact CD1-CG 4.47Å; F20-M23 HydrophobicContact CD1-SD 3.46Å; F20-M23 WeakPolarHBondContact CD1-SD 3.45Å; F20-M23 HydrophobicContact CE1-SD 4.15Å; F20-M23 HydrophobicContact CG-SD 4.4Å; F20-M23 WeakPolarHBondContact O-CB 3.3Å; F20-M23 PolarHBondContact O-N 3.28Å; T21-M23 VanDerWaalsContact C-N 3.29Å; M23-D27 HydrophobicContact CE-CB 4.09Å; M23-I28 HydrophobicContact CB-CG1 4.39Å; M23-I28 HydrophobicContact CE-CG1 4.07Å |
| 24 | I | 70.3 | Confident | 69.6 | Low | 96 Ų | 96 | 93.3 Ų | 93.3 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | trans | -67.2 | 154.9 | 175.2 | 58 | 171.9 | 0 | 0 | 0 | 110.4 | D22 D26 D27 I28 | D22-I24 PolarHBondContact O-N 3Å; I24-D26 HydrophobicContact CD1-CB 3.92Å; I24-D26 HydrophobicContact CG1-CB 4.15Å; I24-D26 PolarHBondContact O-N 3.35Å; I24-D27 HydrophobicContact CG1-CB 4.27Å; I24-D27 WeakPolarHBondContact CG1-OD1 3.23Å; I24-D27 PolarHBondContact O-N 3.16Å; I24-I28 PolarHBondContact O-N 2.87Å | ||
| 25 | E | 69.1 | Low | 68.8 | Low | 56 Ų | 56 | 88.7 Ų | 88.7 | 26% | 0.262 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -48.4 | -32.8 | 176.4 | 173.3 | 169.2 | -174.4 | 0 | 0 | 112.4 | M1 V5 R29 | M1-E25 WeakPolarHBondContact CA-OE1 3.37Å; M1-E25 WeakPolarHBondContact CA-OE2 3.29Å; M1-E25 VanDerWaalsContact CG-OE2 3.27Å; M1-E25 WeakPolarHBondContact CG-OE2 3.45Å; M1-E25 VanDerWaalsContact N-CD 3.26Å; M1-E25 PolarHBondContact N-OE1 3.5Å; M1-E25 PolarHBondContact N-OE2 3.5Å; V5-E25 HydrophobicContact CG1-CG 4.27Å; E25-R29 WeakPolarHBondContact O-CB 3.36Å; E25-R29 PolarHBondContact O-N 2.86Å |
| 26 | D | 72.4 | Confident | 68.1 | Low | 81 Ų | 81 | 89.8 Ų | 89.8 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | 179.4 | -63.6 | -16.8 | 0 | 0 | 0 | 113.2 | I24 I28 R29 E30 | I24-D26 HydrophobicContact CD1-CB 3.92Å; I24-D26 HydrophobicContact CG1-CB 4.15Å; I24-D26 PolarHBondContact O-N 3.35Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.24Å; D26-R29 VanDerWaalsContact CG-NH2 3.34Å; D26-R29 PolarHBondContact O-N 2.64Å; D26-R29 IonicContact OD1-CZ 3.15Å; D26-R29 IonicContact OD1-NH1 2.79Å; D26-R29 PolarHBondContact OD1-NH1 2.87Å; D26-R29 IonicContact OD1-NH2 2.67Å; D26-R29 PolarHBondContact OD1-NH2 3.14Å; D26-E30 WeakPolarHBondContact O-CB 3.45Å; D26-E30 PolarHBondContact O-N 3.29Å |
| 27 | D | 75.8 | Confident | 67.7 | Low | 61 Ų | 61 | 95.6 Ų | 95.6 | 33% | 0.326 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 179 | -67.7 | -3.2 | 0 | 0 | 0 | 111.3 | M23 I24 R31 | M23-D27 HydrophobicContact CE-CB 4.09Å; I24-D27 HydrophobicContact CG1-CB 4.27Å; I24-D27 WeakPolarHBondContact CG1-OD1 3.23Å; I24-D27 PolarHBondContact O-N 3.16Å; D27-R31 VanDerWaalsContact O-CG 3.27Å; D27-R31 WeakPolarHBondContact O-CG 3.46Å; D27-R31 PolarHBondContact O-N 3.27Å |
| 28 | I | 75.4 | Confident | 67 | Low | 21 Ų | 21 | 101.2 Ų | 101.2 | 11% | 0.108 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -69.2 | -46.3 | 175.3 | -60.5 | 175.2 | 0 | 0 | 0 | 108.9 | V5 V9 M23 I24 D26 E30 R31 I32 | V5-I28 HydrophobicContact CG1-CG2 4.25Å; V9-I28 HydrophobicContact CG2-CD1 3.47Å; V9-I28 VanDerWaalsContact CG2-CD1 3.47Å; M23-I28 HydrophobicContact CB-CG1 4.39Å; M23-I28 HydrophobicContact CE-CG1 4.07Å; I24-I28 PolarHBondContact O-N 2.87Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.24Å; I28-E30 PolarHBondContact O-N 3.24Å; I28-R31 PolarHBondContact O-N 3.49Å; I28-I32 HydrophobicContact CG2-CG2 4.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.42Å; I28-I32 WeakPolarHBondContact O-CG2 3.27Å; I28-I32 PolarHBondContact O-N 3Å |
| 29 | R | 74.7 | Confident | 66.2 | Low | 116 Ų | 116 | 97.7 Ų | 97.7 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | -179.3 | -170.7 | 174.3 | 63.8 | -109.8 | -4.7 | 112.5 | E25 D26 I32 G33 | E25-R29 WeakPolarHBondContact O-CB 3.36Å; E25-R29 PolarHBondContact O-N 2.86Å; D26-R29 VanDerWaalsContact CG-NH2 3.34Å; D26-R29 PolarHBondContact O-N 2.64Å; D26-R29 IonicContact OD1-CZ 3.15Å; D26-R29 IonicContact OD1-NH1 2.79Å; D26-R29 PolarHBondContact OD1-NH1 2.87Å; D26-R29 IonicContact OD1-NH2 2.67Å; D26-R29 PolarHBondContact OD1-NH2 3.14Å; R29-I32 WeakPolarHBondContact O-CG1 3.39Å; R29-G33 PolarHBondContact O-N 3.4Å |
| 30 | E | 77.5 | Confident | 66 | Low | 131 Ų | 131 | 98.6 Ų | 98.6 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -50.5 | 174.5 | -176.2 | 175.8 | -154.6 | 0 | 0 | 110.6 | D26 I28 I32 G33 D34 | D26-E30 WeakPolarHBondContact O-CB 3.45Å; D26-E30 PolarHBondContact O-N 3.29Å; I28-E30 PolarHBondContact O-N 3.24Å; E30-I32 PolarHBondContact O-N 3.32Å; E30-G33 PolarHBondContact O-N 2.77Å; E30-D34 PolarHBondContact O-N 2.9Å |
| 31 | R | 71.9 | Confident | 65.9 | Low | 169 Ų | 169 | 99.3 Ų | 99.3 | 64% | 0.638 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68 | -36.4 | -177.1 | -69.5 | 177.5 | -177 | -137 | 2.9 | 114.1 | D27 I28 | D27-R31 VanDerWaalsContact O-CG 3.27Å; D27-R31 WeakPolarHBondContact O-CG 3.46Å; D27-R31 PolarHBondContact O-N 3.27Å; I28-R31 PolarHBondContact O-N 3.49Å |
| 32 | I | 71.8 | Confident | 66.1 | Low | 61 Ų | 61 | 101.4 Ų | 101.4 | 31% | 0.313 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.6 | -31.8 | 175.9 | 66 | -176.2 | 0 | 0 | 0 | 111.8 | V5 I8 I28 R29 E30 D34 C35 E36 | V5-I32 HydrophobicContact CG2-CD1 4.46Å; I8-I32 HydrophobicContact CD1-CG2 4.33Å; I28-I32 HydrophobicContact CG2-CG2 4.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.42Å; I28-I32 WeakPolarHBondContact O-CG2 3.27Å; I28-I32 PolarHBondContact O-N 3Å; R29-I32 WeakPolarHBondContact O-CG1 3.39Å; E30-I32 PolarHBondContact O-N 3.32Å; I32-D34 PolarHBondContact O-N 3.46Å; I32-C35 WeakPolarHBondContact O-CB 3.47Å; I32-C35 PolarHBondContact O-N 3.13Å; I32-E36 PolarHBondContact O-N 3Å |
| 33 | G | 66.4 | Low | 65.8 | Low | 41 Ų | 41 | 100 Ų | 100 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R29 E30 C35 E36 | R29-G33 PolarHBondContact O-N 3.4Å; E30-G33 PolarHBondContact O-N 2.77Å; G33-C35 VanDerWaalsContact C-N 3.28Å; G33-C35 PolarHBondContact O-N 3.14Å; G33-E36 PolarHBondContact O-N 3.49Å |
| 34 | D | 62.7 | Low | 65.3 | Low | 113 Ų | 113 | 100.9 Ų | 100.9 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.1 | -27.8 | 174.8 | -68.5 | -24.9 | 0 | 0 | 0 | 113 | E30 I32 | E30-D34 PolarHBondContact O-N 2.9Å; I32-D34 PolarHBondContact O-N 3.46Å |
| 35 | C | 58.8 | Low | 65.2 | Low | 74 Ų | 74 | 102.2 Ų | 102.2 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.6 | -27.9 | 179.4 | -72.5 | 0 | 0 | 0 | 0 | 113.5 | I32 G33 K37 L38 | I32-C35 WeakPolarHBondContact O-CB 3.47Å; I32-C35 PolarHBondContact O-N 3.13Å; G33-C35 VanDerWaalsContact C-N 3.28Å; G33-C35 PolarHBondContact O-N 3.14Å; C35-K37 PolarHBondContact O-N 3.46Å; C35-K37 VanDerWaalsContact O-N 3.11Å; C35-L38 PolarHBondContact O-N 3.13Å |
| 36 | E | 60 | Low | 65 | Low | 168 Ų | 168 | 104.9 Ų | 104.9 | 79% | 0.785 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -60.5 | -25 | -179.8 | -164.6 | 175.6 | -167.3 | 0 | 0 | 111.5 | I32 G33 | I32-E36 PolarHBondContact O-N 3Å; G33-E36 PolarHBondContact O-N 3.49Å |
| 37 | K | 59.7 | Low | 64.3 | Low | 183 Ų | 183 | 105.1 Ų | 105.1 | 80% | 0.796 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -82.8 | -18.3 | 178.4 | -159 | 175.3 | 179.9 | -171.8 | 0 | 114.4 | C35 | C35-K37 PolarHBondContact O-N 3.46Å; C35-K37 VanDerWaalsContact O-N 3.11Å |
| 38 | L | 50.4 | Low | 63.8 | Low | 132 Ų | 132 | 107.8 Ų | 107.8 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -87.5 | -3.1 | -172.7 | -80.8 | 166.5 | 0 | 0 | 0 | 114.6 | C35 | C35-L38 PolarHBondContact O-N 3.13Š|
| 39 | S | 47.3 | Very low | 63.3 | Low | 88 Ų | 88 | 114 Ų | 114 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | trans | -105.5 | 46 | -176.4 | 40.4 | 0 | 0 | 0 | 0 | 113.3 | D41 | S39-D41 PolarHBondContact O-N 3.29Å; S39-D41 VanDerWaalsContact O-N 3.14Å | ||
| 40 | T | 58 | Low | 62.4 | Low | 87 Ų | 87 | 111.5 Ų | 111.5 | 53% | 0.534 | 57% | 0.567 | S | S | . | * | trans | -75.5 | 101.9 | 164.6 | -28.9 | 0 | 0 | 0 | 0 | 108 | K42 E43 | T40-K42 HydrophobicContact CG2-CB 4.37Å; T40-K42 PolarHBondContact O-N 3.43Å; T40-E43 PolarHBondContact O-N 3.49Å | ||
| 41 | D | 60.2 | Low | 61.4 | Low | 133 Ų | 133 | 111.4 Ų | 111.4 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -46.4 | -27.6 | 179.8 | -71.3 | -27.3 | 0 | 0 | 0 | 113.8 | S39 E43 L44 E45 | S39-D41 PolarHBondContact O-N 3.29Å; S39-D41 VanDerWaalsContact O-N 3.14Å; D41-E43 PolarHBondContact O-N 3.09Å; D41-L44 PolarHBondContact O-N 2.97Å; D41-E45 PolarHBondContact O-N 3.45Å |
| 42 | K | 66.8 | Low | 60.4 | Low | 127 Ų | 127 | 112.9 Ų | 112.9 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.1 | -39.6 | 176.3 | -179.3 | 171 | 165.8 | 59.2 | 0 | 113.6 | T40 L44 E45 E46 | T40-K42 HydrophobicContact CG2-CB 4.37Å; T40-K42 PolarHBondContact O-N 3.43Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-E45 PolarHBondContact O-N 3.29Å; K42-E46 WeakPolarHBondContact CE-OE1 3.35Å; K42-E46 IonicContact NZ-OE1 2.64Å; K42-E46 PolarHBondContact NZ-OE1 3.07Å; K42-E46 WeakPolarHBondContact O-CB 3.32Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 3.21Å |
| 43 | E | 64.1 | Low | 59.1 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.4 | -35.4 | 178.2 | -156.8 | -175.4 | 156.1 | 0 | 0 | 110.4 | T40 D41 M47 | T40-E43 PolarHBondContact O-N 3.49Å; D41-E43 PolarHBondContact O-N 3.09Å; E43-M47 WeakPolarHBondContact O-CG 3.44Å; E43-M47 PolarHBondContact O-N 2.91Å; E43-M47 VanDerWaalsContact O-N 3.09Å |
| 44 | L | 58.5 | Low | 58 | Low | 67 Ų | 67 | 116.5 Ų | 116.5 | 35% | 0.351 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.2 | -42.1 | 176.1 | -149.9 | 163 | 0 | 0 | 0 | 111.5 | D41 K42 M47 M48 | D41-L44 PolarHBondContact O-N 2.97Å; K42-L44 VanDerWaalsContact C-N 3.29Å; L44-M47 HydrophobicContact CB-CE 4.45Å; L44-M47 HydrophobicContact CG-CE 4.34Å; L44-M47 PolarHBondContact O-N 3.29Å; L44-M48 HydrophobicContact CD2-CE 3.3Å; L44-M48 HydrophobicContact CD2-CG 4.28Å; L44-M48 WeakPolarHBondContact O-CG 3.3Å; L44-M48 PolarHBondContact O-N 3.35Å |
| 45 | E | 67.5 | Low | 57.7 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.4 | -42.4 | 174.8 | -173.5 | 174.8 | -163.4 | 0 | 0 | 112 | D41 K42 M47 M48 Q49 | D41-E45 PolarHBondContact O-N 3.45Å; K42-E45 PolarHBondContact O-N 3.29Å; E45-M47 VanDerWaalsContact C-N 3.35Å; E45-M47 PolarHBondContact O-N 2.95Å; E45-M48 WeakPolarHBondContact O-CB 3.44Å; E45-M48 PolarHBondContact O-N 2.92Å; E45-M48 VanDerWaalsContact O-N 3.13Å; E45-Q49 PolarHBondContact O-N 3.11Å; E45-Q49 VanDerWaalsContact O-N 3.14Å |
| 46 | E | 66 | Low | 57.3 | Low | 111 Ų | 111 | 121.8 Ų | 121.8 | 52% | 0.519 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.5 | -38.5 | 175 | -77.3 | 177 | -170.3 | 0 | 0 | 111.5 | K42 M48 Q49 | K42-E46 WeakPolarHBondContact CE-OE1 3.35Å; K42-E46 IonicContact NZ-OE1 2.64Å; K42-E46 PolarHBondContact NZ-OE1 3.07Å; K42-E46 WeakPolarHBondContact O-CB 3.32Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 3.21Å; E46-M48 VanDerWaalsContact C-N 3.34Å; E46-M48 PolarHBondContact O-N 3.04Å; E46-Q49 CarbonylContact O-C 3.45Å; E46-Q49 WeakPolarHBondContact O-CA 3.08Å; E46-Q49 WeakPolarHBondContact O-CB 3.27Å; E46-Q49 PolarHBondContact O-N 3.21Å; E46-Q49 VanDerWaalsContact O-N 3.13Å |
| 47 | M | 56.9 | Low | 56.9 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.9 | -31.7 | 171.5 | -75.6 | -171.1 | -71.6 | 0 | 0 | 113.8 | E43 L44 E45 Q49 I87 | E43-M47 WeakPolarHBondContact O-CG 3.44Å; E43-M47 PolarHBondContact O-N 2.91Å; E43-M47 VanDerWaalsContact O-N 3.09Å; L44-M47 HydrophobicContact CB-CE 4.45Å; L44-M47 HydrophobicContact CG-CE 4.34Å; L44-M47 PolarHBondContact O-N 3.29Å; E45-M47 VanDerWaalsContact C-N 3.35Å; E45-M47 PolarHBondContact O-N 2.95Å; M47-Q49 PolarHBondContact O-N 3.44Å; M47-I87 HydrophobicContact CE-CD1 4.33Å |
| 48 | M | 65.2 | Low | 56.7 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 58% | 0.576 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67 | -28.8 | 173.1 | -65.2 | -160.9 | -164 | 0 | 0 | 111.5 | L44 E45 E46 S50 M91 | L44-M48 HydrophobicContact CD2-CE 3.3Å; L44-M48 HydrophobicContact CD2-CG 4.28Å; L44-M48 WeakPolarHBondContact O-CG 3.3Å; L44-M48 PolarHBondContact O-N 3.35Å; E45-M48 WeakPolarHBondContact O-CB 3.44Å; E45-M48 PolarHBondContact O-N 2.92Å; E45-M48 VanDerWaalsContact O-N 3.13Å; E46-M48 VanDerWaalsContact C-N 3.34Å; E46-M48 PolarHBondContact O-N 3.04Å; M48-S50 PolarHBondContact O-N 3.11Å; M48-M91 HydrophobicContact CE-SD 3.91Å |
| 49 | Q | 65.3 | Low | 56.8 | Low | 150 Ų | 150 | 119.4 Ų | 119.4 | 70% | 0.701 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -76.2 | 70.3 | 165.6 | -55.9 | -148.7 | -3.9 | 0 | 0 | 108.9 | E45 E46 M47 | E45-Q49 PolarHBondContact O-N 3.11Å; E45-Q49 VanDerWaalsContact O-N 3.14Å; E46-Q49 CarbonylContact O-C 3.45Å; E46-Q49 WeakPolarHBondContact O-CA 3.08Å; E46-Q49 WeakPolarHBondContact O-CB 3.27Å; E46-Q49 PolarHBondContact O-N 3.21Å; E46-Q49 VanDerWaalsContact O-N 3.13Å; M47-Q49 PolarHBondContact O-N 3.44Å |
| 50 | S | 55 | Low | 57.3 | Low | 65 Ų | 65 | 122.2 Ų | 122.2 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | trans | -46.2 | 137.5 | 161.2 | -56.5 | 0 | 0 | 0 | 0 | 107.9 | M48 K52 | M48-S50 PolarHBondContact O-N 3.11Å; S50-K52 PolarHBondContact O-N 3.45Å | ||
| 51 | P | 56 | Low | 56.9 | Low | 129 Ų | 129 | 125.3 Ų | 125.3 | 84% | 0.838 | 67% | 0.67 | S | S | * | * | trans | -51 | 109.9 | 176.7 | -22.3 | 30.7 | 0 | 0 | 0 | 106.7 | G53 | P51-G53 VanDerWaalsContact C-N 3.26Å; P51-G53 PolarHBondContact O-N 3.46Å | ||
| 52 | K | 52 | Low | 56.5 | Low | 200 Ų | 200 | 126.3 Ų | 126.3 | 87% | 0.87 | 67% | 0.67 | S | S | * | * | trans | -61.9 | 105.6 | 170.5 | -164 | 177.5 | 179.9 | 73.4 | 0 | 102.2 | S50 C54 | S50-K52 PolarHBondContact O-N 3.45Å; K52-C54 PolarHBondContact O-N 2.76Å; K52-C54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | G | 45.2 | Very low | 56 | Low | 59 Ų | 59 | 127.4 Ų | 127.4 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | trans | -45 | 127.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P51 D55 | P51-G53 VanDerWaalsContact C-N 3.26Å; P51-G53 PolarHBondContact O-N 3.46Å; G53-D55 PolarHBondContact O-N 2.93Å | ||
| 54 | C | 42.4 | Very low | 55.8 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | trans | -65.9 | 78 | 170 | 49 | 0 | 0 | 0 | 0 | 107.8 | K52 D56 | K52-C54 PolarHBondContact O-N 2.76Å; K52-C54 VanDerWaalsContact O-N 3.16Å; C54-D56 PolarHBondContact O-N 2.77Å | ||
| 55 | D | 56.4 | Low | 55.5 | Low | 157 Ų | 157 | 125.4 Ų | 125.4 | 84% | 0.84 | 69% | 0.689 | S | S | * | * | trans | -79.6 | 70.7 | 152.8 | -84.4 | -15.6 | 0 | 0 | 0 | 106 | G53 | G53-D55 PolarHBondContact O-N 2.93Š| ||
| 56 | D | 50.8 | Low | 55.1 | Low | 142 Ų | 142 | 122 Ų | 122 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | trans | -131.8 | 85 | 163.9 | -86.5 | -36.7 | 0 | 0 | 0 | 106.7 | C54 | C54-D56 PolarHBondContact O-N 2.77Š| ||
| 57 | D | 50.8 | Low | 55 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | trans | 44.7 | 105.6 | 138.8 | -59.8 | -33.2 | 0 | 0 | 0 | 120 | D59 | D57-D59 VanDerWaalsContact C-N 3.27Å; D57-D59 PolarHBondContact O-N 3.2Å | ||
| 58 | D | 56 | Low | 55.4 | Low | 170 Ų | 170 | 117.6 Ų | 117.6 | 91% | 0.909 | 68% | 0.678 | S | S | * | * | 37.8 | 30.9 | 125.5 | -84.9 | -13.4 | 0 | 0 | 0 | 120.7 | |||||
| 59 | D | 51.6 | Low | 55.8 | Low | 127 Ų | 127 | 117 Ų | 117 | 68% | 0.679 | 68% | 0.677 | S | S | * | * | trans | -77.2 | 124.2 | 153.1 | -81.8 | -34.3 | 0 | 0 | 0 | 108.3 | D57 M61 | D57-D59 VanDerWaalsContact C-N 3.27Å; D57-D59 PolarHBondContact O-N 3.2Å; D59-M61 HydrophobicContact CB-CE 4.12Å; D59-M61 WeakPolarHBondContact O-CG 3.47Å; D59-M61 PolarHBondContact O-N 2.77Å | ||
| 60 | V | 58 | Low | 56.2 | Low | 147 Ų | 147 | 116.1 Ų | 116.1 | 89% | 0.891 | 67% | 0.674 | S | S | * | * | trans | -56.3 | 86.3 | 172.4 | 172.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 61 | M | 50.5 | Low | 57.2 | Low | 153 Ų | 153 | 118.1 Ų | 118.1 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | -79.2 | 125.3 | 168.4 | -59.3 | -57.3 | -171.6 | 0 | 0 | 106.5 | D59 | D59-M61 HydrophobicContact CB-CE 4.12Å; D59-M61 WeakPolarHBondContact O-CG 3.47Å; D59-M61 PolarHBondContact O-N 2.77Å | ||
| 62 | E | 52.5 | Low | 58 | Low | 153 Ų | 153 | 117.8 Ų | 117.8 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | trans | -41.7 | 142.5 | 168.2 | -165.7 | 172.7 | -178.7 | 0 | 0 | 110.1 | T64 G65 | E62-T64 HydrophobicContact CG-CG2 4.4Å; E62-T64 PolarHBondContact O-N 2.86Å; E62-T64 PolarHBondContact O-OG1 2.97Å; E62-G65 PolarHBondContact O-N 3.16Å | ||
| 63 | D | 56.3 | Low | 58.9 | Low | 150 Ų | 150 | 114 Ų | 114 | 80% | 0.802 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 13.3 | -177.2 | -168.9 | 35.6 | 0 | 0 | 0 | 115.2 | ||
| 64 | T | 60 | Low | 60.4 | Low | 96 Ų | 96 | 115.2 Ų | 115.2 | 59% | 0.589 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -15.8 | 173.4 | 49 | 0 | 0 | 0 | 0 | 113.6 | E62 S67 | E62-T64 HydrophobicContact CG-CG2 4.4Å; E62-T64 PolarHBondContact O-N 2.86Å; E62-T64 PolarHBondContact O-OG1 2.97Å; T64-S67 PolarHBondContact O-OG 3.41Å |
| 65 | G | 51.6 | Low | 62 | Low | 43 Ų | 43 | 117.7 Ų | 117.7 | 44% | 0.443 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -74.4 | -32.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | E62 G68 L69 | E62-G65 PolarHBondContact O-N 3.16Å; G65-G68 PolarHBondContact O-N 3.37Å; G65-L69 PolarHBondContact O-N 2.93Å |
| 66 | A | 59 | Low | 62.9 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 44% | 0.438 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.6 | -34.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M70 | A66-M70 VanDerWaalsContact O-CG 3.26Å; A66-M70 WeakPolarHBondContact O-CG 3.34Å; A66-M70 PolarHBondContact O-N 3.47Å |
| 67 | S | 62.8 | Low | 64.1 | Low | 73 Ų | 73 | 112.1 Ų | 112.1 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.5 | -38.3 | 176.9 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | T64 M70 D71 | T64-S67 PolarHBondContact O-OG 3.41Å; S67-M70 PolarHBondContact O-N 3.34Å; S67-D71 PolarHBondContact O-N 3.23Å |
| 68 | G | 67 | Low | 65.4 | Low | 33 Ų | 33 | 109.8 Ų | 109.8 | 34% | 0.34 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.9 | -39 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G65 D71 M72 | G65-G68 PolarHBondContact O-N 3.37Å; G68-D71 PolarHBondContact O-N 3.16Å; G68-M72 WeakPolarHBondContact O-CG 3.27Å; G68-M72 PolarHBondContact O-N 3.1Å; G68-M72 VanDerWaalsContact O-N 3.14Å |
| 69 | L | 72.9 | Confident | 66.3 | Low | 105 Ų | 105 | 105.3 Ų | 105.3 | 55% | 0.55 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.3 | -39.4 | 175.3 | -67.5 | -179.5 | 0 | 0 | 0 | 112 | G65 M72 I73 | G65-L69 PolarHBondContact O-N 2.93Å; L69-M72 HydrophobicContact CD2-CE 3.44Å; L69-M72 VanDerWaalsContact CD2-CE 3.44Å; L69-M72 HydrophobicContact CG-CE 4.48Å; L69-M72 PolarHBondContact O-N 3.42Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 2.95Å |
| 70 | M | 74.1 | Confident | 67.6 | Low | 131 Ų | 131 | 104.4 Ų | 104.4 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.9 | -40.1 | 178.3 | -68.2 | -66.3 | 176 | 0 | 0 | 111.8 | A66 S67 M72 I73 A74 | A66-M70 VanDerWaalsContact O-CG 3.26Å; A66-M70 WeakPolarHBondContact O-CG 3.34Å; A66-M70 PolarHBondContact O-N 3.47Å; S67-M70 PolarHBondContact O-N 3.34Å; M70-M72 VanDerWaalsContact C-N 3.35Å; M70-I73 PolarHBondContact O-N 2.96Å; M70-A74 WeakPolarHBondContact O-CB 3.43Å; M70-A74 PolarHBondContact O-N 3.16Å |
| 71 | D | 75.3 | Confident | 68.6 | Low | 107 Ų | 107 | 102.7 Ų | 102.7 | 57% | 0.572 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.9 | -42.4 | 174.5 | -75 | -11.1 | 0 | 0 | 0 | 111.2 | S67 G68 I73 A74 E75 | S67-D71 PolarHBondContact O-N 3.23Å; G68-D71 PolarHBondContact O-N 3.16Å; D71-I73 PolarHBondContact O-N 3.46Å; D71-A74 WeakPolarHBondContact O-CB 3.46Å; D71-A74 PolarHBondContact O-N 3.33Å; D71-E75 PolarHBondContact O-N 3.29Å; D71-E75 VanDerWaalsContact O-N 3.1Å |
| 72 | M | 72.1 | Confident | 70 | Confident | 121 Ų | 121 | 101.7 Ų | 101.7 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.6 | -35.5 | 175.8 | -72.2 | -170.4 | -63.8 | 0 | 0 | 113.5 | G68 L69 M70 A74 Y76 | G68-M72 WeakPolarHBondContact O-CG 3.27Å; G68-M72 PolarHBondContact O-N 3.1Å; G68-M72 VanDerWaalsContact O-N 3.14Å; L69-M72 HydrophobicContact CD2-CE 3.44Å; L69-M72 VanDerWaalsContact CD2-CE 3.44Å; L69-M72 HydrophobicContact CG-CE 4.48Å; L69-M72 PolarHBondContact O-N 3.42Å; M70-M72 VanDerWaalsContact C-N 3.35Å; M72-A74 VanDerWaalsContact C-N 3.32Å; M72-Y76 PolarHBondContact O-N 2.99Å |
| 73 | I | 72.4 | Confident | 71.2 | Confident | 121 Ų | 121 | 96 Ų | 96 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.9 | -34 | 174.1 | -67.1 | 165.7 | 0 | 0 | 0 | 110.5 | L69 M70 D71 Y76 | L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 2.95Å; M70-I73 PolarHBondContact O-N 2.96Å; D71-I73 PolarHBondContact O-N 3.46Å; I73-Y76 VanDerWaalsContact O-CB 3.3Å; I73-Y76 WeakPolarHBondContact O-CB 3.33Å; I73-Y76 PolarHBondContact O-N 3.49Å |
| 74 | A | 75.1 | Confident | 72.3 | Confident | 84 Ų | 84 | 91.3 Ų | 91.3 | 69% | 0.694 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70 | -34 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | M70 D71 M72 Y76 | M70-A74 WeakPolarHBondContact O-CB 3.43Å; M70-A74 PolarHBondContact O-N 3.16Å; D71-A74 WeakPolarHBondContact O-CB 3.46Å; D71-A74 PolarHBondContact O-N 3.33Å; M72-A74 VanDerWaalsContact C-N 3.32Å; A74-Y76 VanDerWaalsContact C-N 3.31Å |
| 75 | E | 78 | Confident | 73.4 | Confident | 170 Ų | 170 | 92.2 Ų | 92.2 | 79% | 0.794 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -82.3 | -7.6 | 175.5 | -67.9 | -175.6 | -170.3 | 0 | 0 | 113.6 | D71 D77 | D71-E75 PolarHBondContact O-N 3.29Å; D71-E75 VanDerWaalsContact O-N 3.1Å; E75-D77 PolarHBondContact O-N 2.97Å |
| 76 | Y | 75.1 | Confident | 74.7 | Confident | 89 Ų | 89 | 94.2 Ų | 94.2 | 35% | 0.349 | 53% | 0.526 | S | S | . | . | trans | -65.3 | 122.9 | -178.4 | -173.2 | -104.9 | 0 | 0 | 0 | 111.8 | M72 I73 A74 P78 M80 E81 | M72-Y76 PolarHBondContact O-N 2.99Å; I73-Y76 VanDerWaalsContact O-CB 3.3Å; I73-Y76 WeakPolarHBondContact O-CB 3.33Å; I73-Y76 PolarHBondContact O-N 3.49Å; A74-Y76 VanDerWaalsContact C-N 3.31Å; Y76-P78 WeakPolarHBondContact O-CD 3.43Å; Y76-M80 HydrophobicContact CE2-CB 4.48Å; Y76-M80 HydrophobicContact CE2-SD 4.06Å; Y76-E81 HydrophobicContact CE1-CG 3.73Å; Y76-E81 WeakPolarHBondContact OH-CG 3.38Å | ||
| 77 | D | 75.9 | Confident | 75.7 | Confident | 94 Ų | 94 | 94.5 Ų | 94.5 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | trans | -89 | 114.1 | 174.8 | -176 | -4.2 | 0 | 0 | 0 | 110.7 | E75 S79 M80 | E75-D77 PolarHBondContact O-N 2.97Å; D77-S79 VanDerWaalsContact CG-CB 3.47Å; D77-S79 PolarHBondContact O-N 3.22Å; D77-S79 WeakPolarHBondContact OD1-CB 3.34Å; D77-S79 PolarHBondContact OD1-N 3.09Å; D77-S79 WeakPolarHBondContact OD2-CB 3.37Å; D77-M80 WeakPolarHBondContact O-CB 3.46Å; D77-M80 PolarHBondContact O-N 3.04Å | ||
| 78 | P | 77.5 | Confident | 76.5 | Confident | 85 Ų | 85 | 98.4 Ų | 98.4 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.6 | 175.9 | -24 | 35 | 0 | 0 | 0 | 114.3 | Y76 M80 E81 H82 | Y76-P78 WeakPolarHBondContact O-CD 3.43Å; P78-M80 PolarHBondContact O-N 3.37Å; P78-E81 WeakPolarHBondContact O-CB 3.33Å; P78-E81 PolarHBondContact O-N 3.31Å; P78-E81 VanDerWaalsContact O-N 3.08Å; P78-H82 PolarHBondContact O-N 2.97Å |
| 79 | S | 75.7 | Confident | 77.2 | Confident | 76 Ų | 76 | 106.9 Ų | 106.9 | 53% | 0.531 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -55.1 | -32.6 | 171.2 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | D77 H82 G83 | D77-S79 VanDerWaalsContact CG-CB 3.47Å; D77-S79 PolarHBondContact O-N 3.22Å; D77-S79 WeakPolarHBondContact OD1-CB 3.34Å; D77-S79 PolarHBondContact OD1-N 3.09Å; D77-S79 WeakPolarHBondContact OD2-CB 3.37Å; S79-H82 WeakPolarHBondContact O-CB 3.33Å; S79-H82 PolarHBondContact O-N 3.01Å; S79-G83 PolarHBondContact O-N 3.47Å |
| 80 | M | 77.6 | Confident | 77.7 | Confident | 108 Ų | 108 | 106.1 Ų | 106.1 | 53% | 0.532 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 176.5 | -164.5 | -178.3 | -63.5 | 0 | 0 | 111.9 | Y76 D77 P78 H82 G83 I84 | Y76-M80 HydrophobicContact CE2-CB 4.48Å; Y76-M80 HydrophobicContact CE2-SD 4.06Å; D77-M80 WeakPolarHBondContact O-CB 3.46Å; D77-M80 PolarHBondContact O-N 3.04Å; P78-M80 PolarHBondContact O-N 3.37Å; M80-H82 VanDerWaalsContact C-N 3.32Å; M80-H82 PolarHBondContact O-N 3.41Å; M80-G83 PolarHBondContact O-N 3.04Å; M80-I84 HydrophobicContact CG-CD1 4.09Å; M80-I84 WeakPolarHBondContact O-CB 3.25Å; M80-I84 VanDerWaalsContact O-CG1 3.25Å; M80-I84 WeakPolarHBondContact O-CG1 3.48Å; M80-I84 PolarHBondContact O-N 3.37Å |
| 81 | E | 78.7 | Confident | 78.2 | Confident | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174 | -63.6 | -169.8 | 168.3 | 0 | 0 | 111.4 | Y76 P78 I84 M85 | Y76-E81 HydrophobicContact CE1-CG 3.73Å; Y76-E81 WeakPolarHBondContact OH-CG 3.38Å; P78-E81 WeakPolarHBondContact O-CB 3.33Å; P78-E81 PolarHBondContact O-N 3.31Å; P78-E81 VanDerWaalsContact O-N 3.08Å; E81-I84 PolarHBondContact O-N 3.29Å; E81-M85 VanDerWaalsContact O-CB 3.23Å; E81-M85 WeakPolarHBondContact O-CB 3.25Å; E81-M85 PolarHBondContact O-N 3.47Å |
| 82 | H | 79.5 | Confident | 78.4 | Confident | 132 Ų | 132 | 102.1 Ų | 102.1 | 61% | 0.611 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 176.9 | -109.5 | -148.5 | 0 | 0 | 0 | 111.2 | P78 S79 M80 M85 V86 | P78-H82 PolarHBondContact O-N 2.97Å; S79-H82 WeakPolarHBondContact O-CB 3.33Å; S79-H82 PolarHBondContact O-N 3.01Å; M80-H82 VanDerWaalsContact C-N 3.32Å; M80-H82 PolarHBondContact O-N 3.41Å; H82-M85 PolarHBondContact O-N 2.85Å; H82-V86 WeakPolarHBondContact O-CB 3.23Å; H82-V86 VanDerWaalsContact O-CG2 3.25Å; H82-V86 WeakPolarHBondContact O-CG2 3.48Å; H82-V86 PolarHBondContact O-N 3.01Å |
| 83 | G | 78.4 | Confident | 78.8 | Confident | 32 Ų | 32 | 100.1 Ų | 100.1 | 33% | 0.33 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.9 | -51.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S79 M80 M85 V86 I87 | S79-G83 PolarHBondContact O-N 3.47Å; M80-G83 PolarHBondContact O-N 3.04Å; G83-M85 VanDerWaalsContact C-N 3.33Å; G83-M85 PolarHBondContact O-N 3.26Å; G83-V86 PolarHBondContact O-N 3.25Å; G83-I87 VanDerWaalsContact O-CG1 3.27Å; G83-I87 WeakPolarHBondContact O-CG1 3.37Å; G83-I87 PolarHBondContact O-N 3.01Å |
| 84 | I | 80.5 | Confident | 79.2 | Confident | 52 Ų | 52 | 99.3 Ų | 99.3 | 27% | 0.267 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 178.2 | -67.3 | 166 | 0 | 0 | 0 | 111.1 | M80 E81 I87 R88 | M80-I84 HydrophobicContact CG-CD1 4.09Å; M80-I84 WeakPolarHBondContact O-CB 3.25Å; M80-I84 VanDerWaalsContact O-CG1 3.25Å; M80-I84 WeakPolarHBondContact O-CG1 3.48Å; M80-I84 PolarHBondContact O-N 3.37Å; E81-I84 PolarHBondContact O-N 3.29Å; I84-I87 PolarHBondContact O-N 2.95Å; I84-R88 HydrophobicContact CG2-CG 4.47Å; I84-R88 WeakPolarHBondContact O-CB 3.44Å; I84-R88 WeakPolarHBondContact O-CG 3.38Å; I84-R88 PolarHBondContact O-N 2.92Å |
| 85 | M | 82.5 | Confident | 79.7 | Confident | 116 Ų | 116 | 102.1 Ų | 102.1 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 179.1 | -173.9 | -173.8 | -58.1 | 0 | 0 | 111.7 | E81 H82 G83 R88 R89 | E81-M85 VanDerWaalsContact O-CB 3.23Å; E81-M85 WeakPolarHBondContact O-CB 3.25Å; E81-M85 PolarHBondContact O-N 3.47Å; H82-M85 PolarHBondContact O-N 2.85Å; G83-M85 VanDerWaalsContact C-N 3.33Å; G83-M85 PolarHBondContact O-N 3.26Å; M85-R88 PolarHBondContact O-N 2.82Å; M85-R89 WeakPolarHBondContact O-CB 3.49Å; M85-R89 PolarHBondContact O-N 3.33Å |
| 86 | V | 78.7 | Confident | 80.2 | Confident | 85 Ų | 85 | 99.3 Ų | 99.3 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 177 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | H82 G83 R88 R89 I90 | H82-V86 WeakPolarHBondContact O-CB 3.23Å; H82-V86 VanDerWaalsContact O-CG2 3.25Å; H82-V86 WeakPolarHBondContact O-CG2 3.48Å; H82-V86 PolarHBondContact O-N 3.01Å; G83-V86 PolarHBondContact O-N 3.25Å; V86-R88 PolarHBondContact O-N 3.4Å; V86-R89 WeakPolarHBondContact O-CB 3.27Å; V86-R89 PolarHBondContact O-N 3.4Å; V86-R89 VanDerWaalsContact O-N 3.16Å; V86-I90 PolarHBondContact O-N 3.09Å; V86-I90 VanDerWaalsContact O-N 3.1Å |
| 87 | I | 80 | Confident | 80.5 | Confident | 59 Ų | 59 | 100.4 Ų | 100.4 | 30% | 0.303 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 177.3 | -67.9 | 166.1 | 0 | 0 | 0 | 110.8 | M47 G83 I84 R89 I90 M91 | M47-I87 HydrophobicContact CE-CD1 4.33Å; G83-I87 VanDerWaalsContact O-CG1 3.27Å; G83-I87 WeakPolarHBondContact O-CG1 3.37Å; G83-I87 PolarHBondContact O-N 3.01Å; I84-I87 PolarHBondContact O-N 2.95Å; I87-R89 VanDerWaalsContact C-N 3.27Å; I87-R89 PolarHBondContact O-N 2.67Å; I87-I90 VanDerWaalsContact O-CG1 3.23Å; I87-I90 WeakPolarHBondContact O-CG1 3.2Å; I87-I90 PolarHBondContact O-N 2.79Å; I87-M91 WeakPolarHBondContact O-CB 3.44Å; I87-M91 PolarHBondContact O-N 3.31Å |
| 88 | R | 80.2 | Confident | 81 | Confident | 154 Ų | 154 | 101.9 Ų | 101.9 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.7 | -38 | 177.4 | -74.8 | 176.4 | 177.9 | 170.8 | 1.1 | 112.2 | I84 M85 V86 | I84-R88 HydrophobicContact CG2-CG 4.47Å; I84-R88 WeakPolarHBondContact O-CB 3.44Å; I84-R88 WeakPolarHBondContact O-CG 3.38Å; I84-R88 PolarHBondContact O-N 2.92Å; M85-R88 PolarHBondContact O-N 2.82Å; V86-R88 PolarHBondContact O-N 3.4Å |
| 89 | R | 81.3 | Confident | 81.4 | Confident | 211 Ų | 211 | 101.6 Ų | 101.6 | 80% | 0.796 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.9 | -38.9 | 179.5 | -173.8 | 176.3 | 179 | 178.6 | -0.6 | 112.6 | M85 V86 I87 P93 | M85-R89 WeakPolarHBondContact O-CB 3.49Å; M85-R89 PolarHBondContact O-N 3.33Å; V86-R89 WeakPolarHBondContact O-CB 3.27Å; V86-R89 PolarHBondContact O-N 3.4Å; V86-R89 VanDerWaalsContact O-N 3.16Å; I87-R89 VanDerWaalsContact C-N 3.27Å; I87-R89 PolarHBondContact O-N 2.67Å; R89-P93 VanDerWaalsContact O-CD 3.3Å; R89-P93 WeakPolarHBondContact O-CD 2.97Å |
| 90 | I | 83.1 | Confident | 82 | Confident | 90 Ų | 90 | 102.4 Ų | 102.4 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -83 | -23.4 | -180 | 64.6 | 174.7 | 0 | 0 | 0 | 113.1 | V86 I87 A92 P93 L94 | V86-I90 PolarHBondContact O-N 3.09Å; V86-I90 VanDerWaalsContact O-N 3.1Å; I87-I90 VanDerWaalsContact O-CG1 3.23Å; I87-I90 WeakPolarHBondContact O-CG1 3.2Å; I87-I90 PolarHBondContact O-N 2.79Å; I90-A92 PolarHBondContact O-N 2.68Å; I90-P93 VanDerWaalsContact O-CD 3.27Å; I90-P93 WeakPolarHBondContact O-CD 3.49Å; I90-L94 WeakPolarHBondContact O-CG 3.44Å; I90-L94 PolarHBondContact O-N 2.85Å; I90-L94 VanDerWaalsContact O-N 3.16Å |
| 91 | M | 84.5 | Confident | 82.3 | Confident | 85 Ų | 85 | 104.1 Ų | 104.1 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | -177.5 | -175.4 | 172.7 | 60.4 | 0 | 0 | 113.4 | M48 I87 L94 K95 | M48-M91 HydrophobicContact CE-SD 3.91Å; I87-M91 WeakPolarHBondContact O-CB 3.44Å; I87-M91 PolarHBondContact O-N 3.31Å; M91-L94 PolarHBondContact O-N 2.85Å; M91-K95 PolarHBondContact O-N 2.96Å |
| 92 | A | 79.3 | Confident | 82.6 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -48.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | I90 L94 K95 L96 | I90-A92 PolarHBondContact O-N 2.68Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 3.48Å; A92-K95 PolarHBondContact O-N 2.93Å; A92-L96 PolarHBondContact O-N 3.33Å |
| 93 | P | 81.1 | Confident | 83 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.3 | -41.2 | 169.6 | -27.1 | 31.9 | 0 | 0 | 0 | 114.4 | R89 I90 K95 L96 L97 | R89-P93 VanDerWaalsContact O-CD 3.3Å; R89-P93 WeakPolarHBondContact O-CD 2.97Å; I90-P93 VanDerWaalsContact O-CD 3.27Å; I90-P93 WeakPolarHBondContact O-CD 3.49Å; P93-K95 PolarHBondContact O-N 3.14Å; P93-L96 WeakPolarHBondContact O-CB 3.2Å; P93-L96 PolarHBondContact O-N 3.25Å; P93-L97 PolarHBondContact O-N 3.45Å |
| 94 | L | 81.2 | Confident | 83.1 | Confident | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 179.9 | -73.5 | 173.1 | 0 | 0 | 0 | 112 | I90 M91 A92 L96 L97 Q98 | I90-L94 WeakPolarHBondContact O-CG 3.44Å; I90-L94 PolarHBondContact O-N 2.85Å; I90-L94 VanDerWaalsContact O-N 3.16Å; M91-L94 PolarHBondContact O-N 2.85Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 3.48Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 3.29Å; L94-L97 WeakPolarHBondContact O-CB 3.3Å; L94-L97 PolarHBondContact O-N 3.41Å; L94-L97 VanDerWaalsContact O-N 3.16Å; L94-Q98 PolarHBondContact O-N 2.99Å |
| 95 | K | 85.4 | Confident | 83.2 | Confident | 143 Ų | 143 | 104.3 Ų | 104.3 | 62% | 0.622 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -41 | 175.8 | -167.2 | 164.1 | -173.8 | 165.1 | 0 | 112 | M91 A92 P93 L97 Q98 D99 | M91-K95 PolarHBondContact O-N 2.96Å; A92-K95 PolarHBondContact O-N 2.93Å; P93-K95 PolarHBondContact O-N 3.14Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.05Å; K95-Q98 PolarHBondContact O-N 3.42Å; K95-D99 PolarHBondContact O-N 2.91Å |
| 96 | L | 87.2 | Confident | 83.3 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -40.2 | 174.3 | -177.7 | 67 | 0 | 0 | 0 | 112.2 | A92 P93 L94 D99 L100 | A92-L96 PolarHBondContact O-N 3.33Å; P93-L96 WeakPolarHBondContact O-CB 3.2Å; P93-L96 PolarHBondContact O-N 3.25Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 3.29Å; L96-D99 PolarHBondContact O-N 3.05Å; L96-L100 HydrophobicContact CG-CD1 4.36Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 2.87Å |
| 97 | L | 82.8 | Confident | 83.2 | Confident | 112 Ų | 112 | 110 Ų | 110 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 178.2 | -172.9 | 61.9 | 0 | 0 | 0 | 111.8 | P93 L94 K95 L100 F101 | P93-L97 PolarHBondContact O-N 3.45Å; L94-L97 WeakPolarHBondContact O-CB 3.3Å; L94-L97 PolarHBondContact O-N 3.41Å; L94-L97 VanDerWaalsContact O-N 3.16Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.05Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-F101 PolarHBondContact O-N 3.23Å |
| 98 | Q | 85.3 | Confident | 82.7 | Confident | 125 Ų | 125 | 114.9 Ų | 114.9 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 174.4 | -173.2 | 175 | -4.5 | 0 | 0 | 111.5 | L94 K95 L100 F101 D102 | L94-Q98 PolarHBondContact O-N 2.99Å; K95-Q98 PolarHBondContact O-N 3.42Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.33Å; Q98-F101 PolarHBondContact O-N 3.08Å; Q98-F101 VanDerWaalsContact O-N 3.16Å; Q98-D102 PolarHBondContact O-N 3.22Å |
| 99 | D | 87.2 | Confident | 82.2 | Confident | 79 Ų | 79 | 116.4 Ų | 116.4 | 42% | 0.422 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -39.1 | 176.8 | -74 | -19.1 | 0 | 0 | 0 | 112.3 | K95 L96 Q103 | K95-D99 PolarHBondContact O-N 2.91Å; L96-D99 PolarHBondContact O-N 3.05Å; D99-Q103 WeakPolarHBondContact O-CB 3.08Å; D99-Q103 VanDerWaalsContact O-CG 3.29Å; D99-Q103 WeakPolarHBondContact O-CG 3.46Å; D99-Q103 PolarHBondContact O-N 2.99Å |
| 100 | L | 86.9 | Confident | 81.2 | Confident | 94 Ų | 94 | 113.2 Ų | 113.2 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.9 | -76.2 | 167.5 | 0 | 0 | 0 | 111.7 | L96 L97 Q98 Q103 A104 | L96-L100 HydrophobicContact CG-CD1 4.36Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 2.87Å; L97-L100 PolarHBondContact O-N 3.26Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.33Å; L100-Q103 PolarHBondContact O-N 3.45Å; L100-A104 WeakPolarHBondContact O-CB 3.45Å; L100-A104 PolarHBondContact O-N 3.24Å |
| 101 | F | 84.6 | Confident | 79.8 | Confident | 143 Ų | 143 | 114.8 Ų | 114.8 | 63% | 0.627 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -43 | 177.7 | -170.9 | -102.1 | 0 | 0 | 0 | 111.7 | L97 Q98 A104 K105 | L97-F101 PolarHBondContact O-N 3.23Å; Q98-F101 PolarHBondContact O-N 3.08Å; Q98-F101 VanDerWaalsContact O-N 3.16Å; F101-A104 PolarHBondContact O-N 2.65Å; F101-K105 WeakPolarHBondContact O-CB 3.42Å; F101-K105 PolarHBondContact O-N 3.31Å |
| 102 | D | 85.2 | Confident | 78.5 | Confident | 81 Ų | 81 | 116 Ų | 116 | 43% | 0.433 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.4 | -40.2 | 176.5 | -80 | -25.9 | 0 | 0 | 0 | 112.4 | Q98 K105 K106 | Q98-D102 PolarHBondContact O-N 3.22Å; D102-K105 PolarHBondContact O-N 3.45Å; D102-K106 WeakPolarHBondContact O-CB 3.26Å; D102-K106 PolarHBondContact O-N 3.11Å |
| 103 | Q | 87.2 | Confident | 77.3 | Confident | 103 Ų | 103 | 116.9 Ų | 116.9 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.7 | -44.9 | 171.4 | -78.6 | -178.3 | 67.9 | 0 | 0 | 112 | D99 L100 K106 R107 | D99-Q103 WeakPolarHBondContact O-CB 3.08Å; D99-Q103 VanDerWaalsContact O-CG 3.29Å; D99-Q103 WeakPolarHBondContact O-CG 3.46Å; D99-Q103 PolarHBondContact O-N 2.99Å; L100-Q103 PolarHBondContact O-N 3.45Å; Q103-K106 PolarHBondContact O-N 3.25Å; Q103-R107 WeakPolarHBondContact O-CG 3.34Å; Q103-R107 PolarHBondContact O-N 3.34Å |
| 104 | A | 81.1 | Confident | 75.5 | Confident | 47 Ų | 47 | 122.1 Ų | 122.1 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.5 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L100 F101 K106 R107 K108 | L100-A104 WeakPolarHBondContact O-CB 3.45Å; L100-A104 PolarHBondContact O-N 3.24Å; F101-A104 PolarHBondContact O-N 2.65Å; A104-K106 PolarHBondContact O-N 3.3Å; A104-R107 PolarHBondContact O-N 3.01Å; A104-K108 PolarHBondContact O-N 2.97Å |
| 105 | K | 82.5 | Confident | 74.1 | Confident | 102 Ų | 102 | 127 Ų | 127 | 44% | 0.443 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.8 | -42.1 | 175.5 | -170.1 | 176.1 | -178.7 | 178.2 | 0 | 111.6 | F101 D102 K108 R109 | F101-K105 WeakPolarHBondContact O-CB 3.42Å; F101-K105 PolarHBondContact O-N 3.31Å; D102-K105 PolarHBondContact O-N 3.45Å; K105-K108 PolarHBondContact O-N 3.17Å; K105-R109 PolarHBondContact O-N 3.29Å |
| 106 | K | 84.3 | Confident | 72.4 | Confident | 148 Ų | 148 | 129.7 Ų | 129.7 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.7 | -43.7 | 175.3 | -171 | 176.4 | -178.4 | 178.1 | 0 | 111.9 | D102 Q103 A104 R109 Q110 | D102-K106 WeakPolarHBondContact O-CB 3.26Å; D102-K106 PolarHBondContact O-N 3.11Å; Q103-K106 PolarHBondContact O-N 3.25Å; A104-K106 PolarHBondContact O-N 3.3Å; K106-R109 PolarHBondContact O-N 3.36Å; K106-Q110 WeakPolarHBondContact O-CG 3.49Å; K106-Q110 PolarHBondContact O-N 3.36Å |
| 107 | R | 78 | Confident | 70.6 | Confident | 173 Ų | 173 | 129.6 Ų | 129.6 | 65% | 0.653 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.5 | -41 | 176.1 | -71.5 | 177 | -174.3 | -119.1 | 5.2 | 112.1 | Q103 A104 R109 Q110 L111 | Q103-R107 WeakPolarHBondContact O-CG 3.34Å; Q103-R107 PolarHBondContact O-N 3.34Å; A104-R107 PolarHBondContact O-N 3.01Å; R107-R109 VanDerWaalsContact C-N 3.33Å; R107-R109 PolarHBondContact O-N 3.46Å; R107-Q110 PolarHBondContact O-N 3.29Å; R107-Q110 VanDerWaalsContact O-N 3.17Å; R107-L111 PolarHBondContact O-N 3.05Å; R107-L111 VanDerWaalsContact O-N 3.09Å |
| 108 | K | 69.5 | Low | 68.8 | Low | 160 Ų | 160 | 134.1 Ų | 134.1 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.7 | -40.4 | 175.7 | -76.8 | -172.7 | 176.6 | -179.2 | 0 | 112.5 | A104 K105 Q110 L111 V112 | A104-K108 PolarHBondContact O-N 2.97Å; K105-K108 PolarHBondContact O-N 3.17Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-Q110 PolarHBondContact O-N 3.5Å; K108-L111 PolarHBondContact O-N 3.14Å; K108-V112 VanDerWaalsContact O-CG2 3.3Å; K108-V112 WeakPolarHBondContact O-CG2 3.36Å |
| 109 | R | 67.9 | Low | 67.3 | Low | 186 Ų | 186 | 141.3 Ų | 141.3 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.6 | -33.2 | 176.4 | -69.8 | -179.1 | 178.9 | -176.2 | -0.9 | 112.9 | K105 K106 R107 | K105-R109 PolarHBondContact O-N 3.29Å; K106-R109 PolarHBondContact O-N 3.36Å; R107-R109 VanDerWaalsContact C-N 3.33Å; R107-R109 PolarHBondContact O-N 3.46Å |
| 110 | Q | 60.4 | Low | 66.4 | Low | 145 Ų | 145 | 144.4 Ų | 144.4 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75 | -27.8 | 177 | -65.7 | -117.3 | 25.6 | 0 | 0 | 113.3 | K106 R107 K108 V112 P113 | K106-Q110 WeakPolarHBondContact O-CG 3.49Å; K106-Q110 PolarHBondContact O-N 3.36Å; R107-Q110 PolarHBondContact O-N 3.29Å; R107-Q110 VanDerWaalsContact O-N 3.17Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-Q110 PolarHBondContact O-N 3.5Å; Q110-V112 VanDerWaalsContact C-N 3.26Å; Q110-V112 PolarHBondContact O-N 3.1Å; Q110-P113 VanDerWaalsContact O-CD 3.29Å; Q110-P113 WeakPolarHBondContact O-CD 3.48Å |
| 111 | L | 55.3 | Low | 65.3 | Low | 122 Ų | 122 | 147.1 Ų | 147.1 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -3.4 | -178.9 | -80.9 | 161.7 | 0 | 0 | 0 | 114.5 | R107 K108 P113 | R107-L111 PolarHBondContact O-N 3.05Å; R107-L111 VanDerWaalsContact O-N 3.09Å; K108-L111 PolarHBondContact O-N 3.14Å; L111-P113 VanDerWaalsContact C-CD 3.42Å |
| 112 | V | 56.1 | Low | 64.2 | Low | 110 Ų | 110 | 147.3 Ų | 147.3 | 67% | 0.667 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -70.1 | -19.3 | -171 | -171.6 | 0 | 0 | 0 | 0 | 115.8 | K108 Q110 | K108-V112 VanDerWaalsContact O-CG2 3.3Å; K108-V112 WeakPolarHBondContact O-CG2 3.36Å; Q110-V112 VanDerWaalsContact C-N 3.26Å; Q110-V112 PolarHBondContact O-N 3.1Å |
| 113 | P | 54.3 | Low | 63 | Low | 88 Ų | 88 | 151.2 Ų | 151.2 | 57% | 0.571 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -92.2 | -0.5 | -178.5 | 34.7 | -30.6 | 0 | 0 | 0 | 116.1 | Q110 L111 | Q110-P113 VanDerWaalsContact O-CD 3.29Å; Q110-P113 WeakPolarHBondContact O-CD 3.48Å; L111-P113 VanDerWaalsContact C-CD 3.42Å |
| 114 | Y | 44 | Very low | 61.4 | Low | 190 Ų | 190 | 154.2 Ų | 154.2 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -85.7 | -6.4 | -179.4 | -75.7 | -73.4 | 0 | 0 | 0 | 115.6 | K116 | Y114-K116 PolarHBondContact O-N 3.3Š|
| 115 | K | 50 | Low | 60.1 | Low | 205 Ų | 205 | 161.3 Ų | 161.3 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -91.7 | 17.3 | 177.4 | -72.3 | -163.6 | 176.8 | -175.5 | 0 | 115.4 | ||
| 116 | K | 50.3 | Low | 58.5 | Low | 201 Ų | 201 | 165.6 Ų | 165.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -109.2 | 7.8 | 173.3 | -83.8 | -169.4 | 178.8 | -179.6 | 0 | 116.1 | Y114 | Y114-K116 PolarHBondContact O-N 3.3Š|
| 117 | V | 49.3 | Very low | 56.6 | Low | 108 Ų | 108 | 166.9 Ų | 166.9 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -112.8 | -1.5 | -173.8 | -167.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 118 | F | 44.6 | Very low | 54.8 | Low | 206 Ų | 206 | 166.4 Ų | 166.4 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | trans | -123.3 | 88.3 | 170.1 | -68.3 | -79.1 | 0 | 0 | 0 | 109.7 | ||||
| 119 | K | 55.5 | Low | 53.4 | Low | 276 Ų | 276 | 167 Ų | 167 | 100% | 1.2 | 78% | 0.775 | S | S | * | * | trans | -103.4 | 0 | 159.3 | -175.8 | 179.7 | -179.1 | 179.3 | 0 | 107.5 |
Retrieved 119 of 119 residues in 32.1 ms
(Link to these results)