| 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 | 40.1 | Very low | 33.9 | Very low | 200 Ų | 200 | 98.3 Ų | 98.3 | 99% | 0.985 | 55% | 0.554 | S | S | * | * | 0 | -29.8 | 0 | -88 | -172 | 141.1 | 0 | 0 | 113.2 | |||||
| 2 | S | 38.9 | Very low | 33.4 | Very low | 87 Ų | 87 | 96.3 Ų | 96.3 | 61% | 0.608 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.3 | -36.9 | 171.9 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | L5 S6 | S2-L5 PolarHBondContact O-N 3.1Å; S2-S6 PolarHBondContact O-N 3.43Å |
| 3 | D | 35.4 | Very low | 32.9 | Very low | 121 Ų | 121 | 95.2 Ų | 95.2 | 65% | 0.647 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -76.9 | -35.5 | -168.7 | -57.6 | -7.1 | 0 | 0 | 0 | 111.8 | L5 S6 E7 | D3-L5 VanDerWaalsContact C-N 3.28Å; D3-L5 PolarHBondContact O-N 2.93Å; D3-S6 WeakPolarHBondContact O-CB 3.5Å; D3-S6 PolarHBondContact O-N 2.99Å; D3-E7 PolarHBondContact O-N 3.16Å |
| 4 | D | 41.5 | Very low | 33 | Very low | 110 Ų | 110 | 95 Ų | 95 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.5 | -28.3 | 174.2 | -57.4 | -47 | 0 | 0 | 0 | 112.7 | V8 | D4-V8 VanDerWaalsContact O-CG2 3.25Å; D4-V8 WeakPolarHBondContact O-CG2 3.32Å; D4-V8 PolarHBondContact O-N 2.81Å |
| 5 | L | 30 | Very low | 32.9 | Very low | 116 Ų | 116 | 94.6 Ų | 94.6 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -75.9 | -32.9 | 175.2 | -80.4 | 168.7 | 0 | 0 | 0 | 111.6 | S2 D3 V8 V9 | S2-L5 PolarHBondContact O-N 3.1Å; D3-L5 VanDerWaalsContact C-N 3.28Å; D3-L5 PolarHBondContact O-N 2.93Å; L5-V8 PolarHBondContact O-N 2.95Å; L5-V9 WeakPolarHBondContact O-CB 3.39Å; L5-V9 WeakPolarHBondContact O-CG2 3.37Å; L5-V9 PolarHBondContact O-N 3.14Å |
| 6 | S | 27.2 | Very low | 32.5 | Very low | 65 Ų | 65 | 90.8 Ų | 90.8 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | S2 D3 V8 V9 D10 | S2-S6 PolarHBondContact O-N 3.43Å; D3-S6 WeakPolarHBondContact O-CB 3.5Å; D3-S6 PolarHBondContact O-N 2.99Å; S6-V8 PolarHBondContact O-N 3.23Å; S6-V9 PolarHBondContact O-N 3.23Å; S6-D10 WeakPolarHBondContact O-CB 3.3Å; S6-D10 VanDerWaalsContact O-CG 3.29Å; S6-D10 PolarHBondContact O-N 2.91Å |
| 7 | E | 33.1 | Very low | 32.4 | Very low | 145 Ų | 145 | 89.1 Ų | 89.1 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.3 | -35 | -179.1 | -76 | -172.5 | 162.3 | 0 | 0 | 112.9 | D3 G11 | D3-E7 PolarHBondContact O-N 3.16Å; E7-G11 PolarHBondContact O-N 3.37Å |
| 8 | V | 33.5 | Very low | 32.4 | Very low | 26 Ų | 26 | 89.5 Ų | 89.5 | 16% | 0.158 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | D4 L5 S6 G11 I12 N256 | D4-V8 VanDerWaalsContact O-CG2 3.25Å; D4-V8 WeakPolarHBondContact O-CG2 3.32Å; D4-V8 PolarHBondContact O-N 2.81Å; L5-V8 PolarHBondContact O-N 2.95Å; S6-V8 PolarHBondContact O-N 3.23Å; V8-G11 PolarHBondContact O-N 3.42Å; V8-I12 HydrophobicContact CG1-CD1 3.74Å; V8-I12 HydrophobicContact CG1-CG1 4.47Å; V8-I12 WeakPolarHBondContact O-CB 3.47Å; V8-I12 WeakPolarHBondContact O-CG1 3.48Å; V8-I12 PolarHBondContact O-N 3.41Å; V8-N256 HydrophobicContact CG1-CB 4.24Å; V8-N256 VanDerWaalsContact CG2-ND2 3.29Å; V8-N256 WeakPolarHBondContact CG2-ND2 3.22Å |
| 9 | V | 30.5 | Very low | 32.2 | Very low | 81 Ų | 81 | 88.3 Ų | 88.3 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L5 S6 G11 I12 S13 | L5-V9 WeakPolarHBondContact O-CB 3.39Å; L5-V9 WeakPolarHBondContact O-CG2 3.37Å; L5-V9 PolarHBondContact O-N 3.14Å; S6-V9 PolarHBondContact O-N 3.23Å; V9-G11 VanDerWaalsContact C-N 3.32Å; V9-G11 PolarHBondContact O-N 3.22Å; V9-I12 PolarHBondContact O-N 2.71Å; V9-S13 WeakPolarHBondContact O-CB 3.45Å; V9-S13 PolarHBondContact O-N 3.41Å |
| 10 | D | 31.2 | Very low | 32.2 | Very low | 94 Ų | 94 | 89.9 Ų | 89.9 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -33.9 | 175.6 | -72.9 | -26.4 | 0 | 0 | 0 | 112.2 | S6 K14 | S6-D10 WeakPolarHBondContact O-CB 3.3Å; S6-D10 VanDerWaalsContact O-CG 3.29Å; S6-D10 PolarHBondContact O-N 2.91Å; D10-K14 PolarHBondContact O-N 2.86Å |
| 11 | G | 31.5 | Very low | 32.4 | Very low | 36 Ų | 36 | 89.3 Ų | 89.3 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -42 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E7 V8 V9 K14 I15 | E7-G11 PolarHBondContact O-N 3.37Å; V8-G11 PolarHBondContact O-N 3.42Å; V9-G11 VanDerWaalsContact C-N 3.32Å; V9-G11 PolarHBondContact O-N 3.22Å; G11-K14 PolarHBondContact O-N 3.3Å; G11-I15 PolarHBondContact O-N 3.17Å |
| 12 | I | 28.4 | Very low | 32 | Very low | 74 Ų | 74 | 83 Ų | 83 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.5 | -36.5 | 178.7 | -68.5 | 167.7 | 0 | 0 | 0 | 111.4 | V8 V9 K14 I15 G16 | V8-I12 HydrophobicContact CG1-CD1 3.74Å; V8-I12 HydrophobicContact CG1-CG1 4.47Å; V8-I12 WeakPolarHBondContact O-CB 3.47Å; V8-I12 WeakPolarHBondContact O-CG1 3.48Å; V8-I12 PolarHBondContact O-N 3.41Å; V9-I12 PolarHBondContact O-N 2.71Å; I12-K14 PolarHBondContact O-N 2.95Å; I12-I15 PolarHBondContact O-N 3.4Å; I12-I15 VanDerWaalsContact O-N 3.14Å; I12-G16 PolarHBondContact O-N 3.39Å |
| 13 | S | 26.1 | Very low | 31.8 | Very low | 83 Ų | 83 | 82.8 Ų | 82.8 | 58% | 0.58 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.4 | -30.4 | 174.1 | -85.7 | 0 | 0 | 0 | 0 | 112.9 | V9 G16 | V9-S13 WeakPolarHBondContact O-CB 3.45Å; V9-S13 PolarHBondContact O-N 3.41Å; S13-G16 PolarHBondContact O-N 2.98Å |
| 14 | K | 34.5 | Very low | 32 | Very low | 92 Ų | 92 | 83.1 Ų | 83.1 | 40% | 0.4 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -79.2 | -26.7 | 174.4 | -70.6 | -178.1 | -174.8 | -174 | 0 | 113.9 | D10 G11 I12 G16 S17 | D10-K14 PolarHBondContact O-N 2.86Å; G11-K14 PolarHBondContact O-N 3.3Å; I12-K14 PolarHBondContact O-N 2.95Å; K14-G16 VanDerWaalsContact C-N 3.28Å; K14-S17 PolarHBondContact O-OG 3.23Å |
| 15 | I | 31.4 | Very low | 31.8 | Very low | 89 Ų | 89 | 82 Ų | 82 | 46% | 0.456 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.6 | -31.4 | 168.2 | -62.6 | 169.8 | 0 | 0 | 0 | 109.6 | G11 I12 S17 S18 L19 | G11-I15 PolarHBondContact O-N 3.17Å; I12-I15 PolarHBondContact O-N 3.4Å; I12-I15 VanDerWaalsContact O-N 3.14Å; I15-S17 PolarHBondContact O-N 3.43Å; I15-S18 PolarHBondContact O-N 2.79Å; I15-S18 PolarHBondContact O-OG 2.95Å; I15-L19 HydrophobicContact CG2-CD1 3.76Å; I15-L19 HydrophobicContact CG2-CG 4.37Å; I15-L19 WeakPolarHBondContact O-CD1 3.47Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 3.45Å |
| 16 | G | 26.1 | Very low | 32.5 | Very low | 33 Ų | 33 | 82.9 Ų | 82.9 | 34% | 0.34 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.8 | -37.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I12 S13 K14 S18 L19 | I12-G16 PolarHBondContact O-N 3.39Å; S13-G16 PolarHBondContact O-N 2.98Å; K14-G16 VanDerWaalsContact C-N 3.28Å; G16-S18 PolarHBondContact O-N 2.9Å; G16-L19 PolarHBondContact O-N 3.41Å |
| 17 | S | 30.8 | Very low | 33.4 | Very low | 63 Ų | 63 | 81.6 Ų | 81.6 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20.4 | -178.7 | 58.2 | 0 | 0 | 0 | 0 | 114 | K14 I15 L19 | K14-S17 PolarHBondContact O-OG 3.23Å; I15-S17 PolarHBondContact O-N 3.43Å; S17-L19 VanDerWaalsContact C-N 3.3Å |
| 18 | S | 33.5 | Very low | 34.2 | Very low | 96 Ų | 96 | 75 Ų | 75 | 67% | 0.671 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4.5 | 170.8 | 19.4 | 0 | 0 | 0 | 0 | 112.8 | I15 G16 | I15-S18 PolarHBondContact O-N 2.79Å; I15-S18 PolarHBondContact O-OG 2.95Å; G16-S18 PolarHBondContact O-N 2.9Å |
| 19 | L | 28.9 | Very low | 34.7 | Very low | 67 Ų | 67 | 78.5 Ų | 78.5 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | trans | -103.5 | -0.5 | 178.4 | -67.9 | 169.3 | 0 | 0 | 0 | 113.3 | I15 G16 S17 G21 I22 | I15-L19 HydrophobicContact CG2-CD1 3.76Å; I15-L19 HydrophobicContact CG2-CG 4.37Å; I15-L19 WeakPolarHBondContact O-CD1 3.47Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 3.45Å; G16-L19 PolarHBondContact O-N 3.41Å; S17-L19 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 2.97Å; L19-I22 HydrophobicContact CD2-CB 4.43Å; L19-I22 HydrophobicContact CD2-CD1 3.52Å; L19-I22 HydrophobicContact CD2-CG1 4.11Å; L19-I22 PolarHBondContact O-N 3.08Å | ||
| 20 | E | 31.7 | Very low | 35.5 | Very low | 119 Ų | 119 | 75.6 Ų | 75.6 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -4.6 | -178.3 | -98.7 | -179.7 | 168.8 | 0 | 0 | 115.1 | ||
| 21 | G | 35.5 | Very low | 36.3 | Very low | 79 Ų | 79 | 71.7 Ų | 71.7 | 81% | 0.814 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -2.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L19 | L19-G21 PolarHBondContact O-N 2.97Š|
| 22 | I | 31.7 | Very low | 36.7 | Very low | 68 Ų | 68 | 79.4 Ų | 79.4 | 35% | 0.349 | 45% | 0.452 | S | S | . | . | trans | -95.5 | 111 | 177.6 | -54.1 | -163.9 | 0 | 0 | 0 | 107.5 | L19 I24 | L19-I22 HydrophobicContact CD2-CB 4.43Å; L19-I22 HydrophobicContact CD2-CD1 3.52Å; L19-I22 HydrophobicContact CD2-CG1 4.11Å; L19-I22 PolarHBondContact O-N 3.08Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 3.44Å | ||
| 23 | D | 35.6 | Very low | 37.5 | Very low | 81 Ų | 81 | 76.6 Ų | 76.6 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | trans | -62 | 98.5 | 161.2 | -175.1 | -7.9 | 0 | 0 | 0 | 107.4 | T25 R26 | D23-T25 VanDerWaalsContact CG-OG1 3.27Å; D23-T25 PolarHBondContact O-N 3.37Å; D23-T25 VanDerWaalsContact O-N 3.09Å; D23-T25 WeakPolarHBondContact OD1-CB 3.47Å; D23-T25 PolarHBondContact OD1-N 2.92Å; D23-T25 PolarHBondContact OD1-OG1 2.84Å; D23-T25 PolarHBondContact OD2-OG1 3.31Å; D23-R26 HydrophobicContact CB-CB 4.32Å; D23-R26 CarbonylContact O-C 3.34Å; D23-R26 WeakPolarHBondContact O-CA 3.35Å; D23-R26 PolarHBondContact O-N 3.48Å; D23-R26 VanDerWaalsContact O-O 3.11Å | ||
| 24 | I | 39.3 | Very low | 38.2 | Very low | 128 Ų | 128 | 78.4 Ų | 78.4 | 66% | 0.656 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.5 | 179.7 | 59 | 169.5 | 0 | 0 | 0 | 112.1 | I22 R26 F87 | I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 3.44Å; I24-R26 VanDerWaalsContact C-N 3.32Å; I24-F87 VanDerWaalsContact O-CE1 3.31Å; I24-F87 WeakPolarHBondContact O-CE1 3.22Å |
| 25 | T | 37.4 | Very low | 38.7 | Very low | 88 Ų | 88 | 75.6 Ų | 75.6 | 54% | 0.54 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -16.7 | 174.4 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | D23 F87 | D23-T25 VanDerWaalsContact CG-OG1 3.27Å; D23-T25 PolarHBondContact O-N 3.37Å; D23-T25 VanDerWaalsContact O-N 3.09Å; D23-T25 WeakPolarHBondContact OD1-CB 3.47Å; D23-T25 PolarHBondContact OD1-N 2.92Å; D23-T25 PolarHBondContact OD1-OG1 2.84Å; D23-T25 PolarHBondContact OD2-OG1 3.31Å; T25-F87 WeakPolarHBondContact O-CZ 3.07Å |
| 26 | R | 44.7 | Very low | 39.1 | Very low | 134 Ų | 134 | 73.4 Ų | 73.4 | 51% | 0.506 | 44% | 0.437 | S | S | . | . | trans | -141.2 | 70.4 | 179.4 | -69.9 | -179.6 | 154.1 | 172.4 | -6.2 | 109.9 | D23 I24 F28 | D23-R26 HydrophobicContact CB-CB 4.32Å; D23-R26 CarbonylContact O-C 3.34Å; D23-R26 WeakPolarHBondContact O-CA 3.35Å; D23-R26 PolarHBondContact O-N 3.48Å; D23-R26 VanDerWaalsContact O-O 3.11Å; I24-R26 VanDerWaalsContact C-N 3.32Å; R26-F28 PolarHBondContact O-N 2.93Å | ||
| 27 | P | 45 | Very low | 39.7 | Very low | 38 Ų | 38 | 78 Ų | 78 | 25% | 0.247 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -62.8 | -15.8 | -173.5 | 26.4 | -35 | 0 | 0 | 0 | 113.2 | F87 | P27-F87 HydrophobicContact CG-CD1 3.9Å; P27-F87 HydrophobicContact CG-CE1 4.29Å |
| 28 | F | 51.7 | Low | 40.3 | Very low | 5 Ų | 5 | 77.8 Ų | 77.8 | 2% | 0.022 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -115.8 | 111.3 | 177.4 | -57.1 | -52.1 | 0 | 0 | 0 | 110 | R26 A86 I89 L92 Q152 | R26-F28 PolarHBondContact O-N 2.93Å; F28-A86 HydrophobicContact CD2-CB 4.47Å; F28-A86 WeakPolarHBondContact CD2-O 3.27Å; F28-A86 WeakPolarHBondContact CE2-O 3.48Å; F28-I89 HydrophobicContact CE1-CG1 4.2Å; F28-I89 HydrophobicContact CZ-CG1 3.72Å; F28-L92 HydrophobicContact CB-CD1 4.08Å; F28-L92 HydrophobicContact CD1-CD1 4.42Å; F28-L92 HydrophobicContact CD1-CD2 3.83Å; F28-L92 HydrophobicContact CD2-CB 4.45Å; F28-L92 HydrophobicContact CD2-CD1 3.92Å; F28-L92 HydrophobicContact CD2-CD2 4.35Å; F28-L92 HydrophobicContact CD2-CG 4.46Å; F28-L92 HydrophobicContact CE1-CD2 3.81Å; F28-L92 HydrophobicContact CE2-CB 4.29Å; F28-L92 HydrophobicContact CE2-CD2 4.35Å; F28-L92 HydrophobicContact CG-CD1 3.88Å; F28-L92 HydrophobicContact CG-CD2 4.12Å; F28-L92 HydrophobicContact CZ-CD2 4.1Å; F28-Q152 HydrophobicContact CD1-CB 4.09Å; F28-Q152 HydrophobicContact CD1-CG 4.07Å; F28-Q152 HydrophobicContact CE1-CB 4.44Å |
| 29 | S | 43 | Very low | 40.4 | Very low | 101 Ų | 101 | 76.9 Ų | 76.9 | 71% | 0.706 | 46% | 0.458 | S | S | * | . | trans | -80 | 118.8 | 169.4 | 71.4 | 0 | 0 | 0 | 0 | 109.7 | Q152 | S29-Q152 PolarHBondContact O-NE2 3.03Š| ||
| 30 | V | 47.4 | Very low | 40.7 | Very low | 19 Ų | 19 | 75.6 Ų | 75.6 | 12% | 0.115 | 46% | 0.461 | C | S | . | . | trans | -84 | 145.8 | -176.9 | 177.7 | 0 | 0 | 0 | 0 | 112.9 | K32 K80 M83 D84 | V30-K32 PolarHBondContact O-N 2.78Å; V30-K80 HydrophobicContact CG1-CG 3.93Å; V30-M83 HydrophobicContact CB-CE 4.26Å; V30-M83 HydrophobicContact CG1-CE 3.43Å; V30-M83 VanDerWaalsContact CG1-CE 3.43Å; V30-M83 HydrophobicContact CG2-CB 4.23Å; V30-M83 HydrophobicContact CG2-CE 3.87Å; V30-M83 HydrophobicContact CG2-CG 4.17Å; V30-D84 WeakPolarHBondContact CB-OD1 3.26Å; V30-D84 HydrophobicContact CG2-CB 4.14Å; V30-D84 VanDerWaalsContact CG2-CG 3.43Å; V30-D84 WeakPolarHBondContact CG2-OD1 3.36Å | ||
| 31 | V | 47.2 | Very low | 41.1 | Very low | 13 Ų | 13 | 71.2 Ų | 71.2 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | trans | -31.1 | 116.7 | 167.5 | 175 | 0 | 0 | 0 | 0 | 113.2 | G33 K80 E144 | V31-G33 PolarHBondContact O-N 2.91Å; V31-K80 WeakPolarHBondContact O-CE 3.36Å; V31-K80 PolarHBondContact O-NZ 3.43Å; V31-E144 HydrophobicContact CG1-CB 3.64Å; V31-E144 WeakPolarHBondContact CG1-OE2 3.26Å; V31-E144 HydrophobicContact CG2-CB 4.3Å; V31-E144 VanDerWaalsContact CG2-O 3.29Å; V31-E144 WeakPolarHBondContact CG2-O 3.48Å | ||
| 32 | K | 41.5 | Very low | 41.1 | Very low | 197 Ų | 197 | 70.1 Ų | 70.1 | 86% | 0.857 | 43% | 0.43 | S | S | * | . | trans | -67.6 | -8.5 | 176.6 | -72.5 | -176.5 | -179.8 | 176.4 | 0 | 114 | V30 T34 | V30-K32 PolarHBondContact O-N 2.78Å; K32-T34 PolarHBondContact O-N 3.27Å | ||
| 33 | G | 44.5 | Very low | 41.4 | Very low | 15 Ų | 15 | 76.5 Ų | 76.5 | 16% | 0.155 | 46% | 0.455 | C | S | . | . | trans | -54.8 | 95.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V31 I35 | V31-G33 PolarHBondContact O-N 2.91Å; G33-I35 PolarHBondContact O-N 3.48Å | ||
| 34 | T | 39.8 | Very low | 41.5 | Very low | 121 Ų | 121 | 78.3 Ų | 78.3 | 74% | 0.742 | 47% | 0.469 | S | S | * | . | trans | -70 | 118.5 | 161.4 | 35 | 0 | 0 | 0 | 0 | 106.2 | K32 G36 | K32-T34 PolarHBondContact O-N 3.27Å; T34-G36 VanDerWaalsContact C-N 3.25Å; T34-G36 PolarHBondContact O-N 3.33Å | ||
| 35 | I | 46.1 | Very low | 41.4 | Very low | 34 Ų | 34 | 80 Ų | 80 | 17% | 0.174 | 48% | 0.479 | C | S | . | . | trans | -65.2 | 101.3 | 159.8 | -58.4 | 178.6 | 0 | 0 | 0 | 104.4 | G33 V37 Y76 L103 | G33-I35 PolarHBondContact O-N 3.48Å; I35-V37 PolarHBondContact O-N 3.09Å; I35-V37 VanDerWaalsContact O-N 3.16Å; I35-Y76 HydrophobicContact CD1-CD1 3.28Å; I35-Y76 HydrophobicContact CD1-CD2 3.97Å; I35-Y76 HydrophobicContact CD1-CE1 3.27Å; I35-Y76 HydrophobicContact CD1-CE2 3.95Å; I35-Y76 HydrophobicContact CD1-CG 3.64Å; I35-Y76 HydrophobicContact CG1-CD1 4.12Å; I35-Y76 HydrophobicContact CG1-CE1 3.71Å; I35-L103 HydrophobicContact CD1-CD2 3.45Å; I35-L103 VanDerWaalsContact CD1-CD2 3.45Å; I35-L103 HydrophobicContact CG1-CD2 4.38Å | ||
| 36 | G | 39.6 | Very low | 41.4 | Very low | 42 Ų | 42 | 78.2 Ų | 78.2 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | trans | -50.4 | 126.3 | 178 | 0 | 0 | 0 | 0 | 0 | 109.4 | T34 I38 | T34-G36 VanDerWaalsContact C-N 3.25Å; T34-G36 PolarHBondContact O-N 3.33Å; G36-I38 PolarHBondContact O-N 2.98Å | ||
| 37 | V | 39.9 | Very low | 40.9 | Very low | 129 Ų | 129 | 75.3 Ų | 75.3 | 78% | 0.782 | 49% | 0.489 | S | S | * | . | trans | -64 | 91.8 | 163 | -179.5 | 0 | 0 | 0 | 0 | 105.6 | I35 G39 | I35-V37 PolarHBondContact O-N 3.09Å; I35-V37 VanDerWaalsContact O-N 3.16Å; V37-G39 VanDerWaalsContact C-N 3.34Å; V37-G39 PolarHBondContact O-N 2.95Å | ||
| 38 | I | 42.6 | Very low | 40.7 | Very low | 59 Ų | 59 | 76.4 Ų | 76.4 | 30% | 0.303 | 49% | 0.492 | S | S | . | . | trans | -68.8 | 103.2 | 167.5 | -56.5 | 179.5 | 0 | 0 | 0 | 105.6 | G36 G40 E130 Q134 | G36-I38 PolarHBondContact O-N 2.98Å; I38-G40 PolarHBondContact O-N 3.26Å; I38-E130 HydrophobicContact CG2-CG 4.28Å; I38-E130 WeakPolarHBondContact CG2-OE1 3.33Å; I38-Q134 HydrophobicContact CD1-CB 4.25Å | ||
| 39 | G | 34.6 | Very low | 40.2 | Very low | 77 Ų | 77 | 86.3 Ų | 86.3 | 79% | 0.794 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 29.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V37 | V37-G39 VanDerWaalsContact C-N 3.34Å; V37-G39 PolarHBondContact O-N 2.95Å |
| 40 | G | 37 | Very low | 40.6 | Very low | 40 Ų | 40 | 85.1 Ų | 85.1 | 41% | 0.412 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -17.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I38 G42 | I38-G40 PolarHBondContact O-N 3.26Å; G40-G42 PolarHBondContact O-N 2.74Å |
| 41 | I | 39.6 | Very low | 40.9 | Very low | 27 Ų | 27 | 88.6 Ų | 88.6 | 14% | 0.138 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -69.9 | -19.1 | 179.9 | -47.9 | -170.3 | 0 | 0 | 0 | 111.2 | Q66 | I41-Q66 HydrophobicContact CG2-CB 3.59Å; I41-Q66 HydrophobicContact CG2-CG 3.27Å |
| 42 | G | 35.3 | Very low | 42 | Very low | 57 Ų | 57 | 89.3 Ų | 89.3 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -88.1 | 112.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | G40 | G40-G42 PolarHBondContact O-N 2.74Š|
| 43 | K | 36.7 | Very low | 44 | Very low | 202 Ų | 202 | 84.9 Ų | 84.9 | 88% | 0.878 | 55% | 0.551 | S | S | * | * | trans | 70 | 79.3 | 150.7 | -51.3 | -176.8 | -172.5 | -179.1 | 0 | 117.5 | ||||
| 44 | T | 39 | Very low | 46 | Very low | 118 Ų | 118 | 89.9 Ų | 89.9 | 72% | 0.724 | 57% | 0.568 | S | S | * | * | trans | -120.7 | 92.1 | 142.1 | 39.7 | 0 | 0 | 0 | 0 | 110.5 | G46 | T44-G46 PolarHBondContact O-N 3.03Š| ||
| 45 | L | 36.7 | Very low | 48.3 | Very low | 165 Ų | 165 | 84.5 Ų | 84.5 | 86% | 0.864 | 54% | 0.535 | S | S | * | . | trans | -75.5 | 75.9 | 158.3 | -72.7 | 168.8 | 0 | 0 | 0 | 107.9 | G47 | L45-G47 PolarHBondContact O-N 3.23Š| ||
| 46 | G | 36.7 | Very low | 50.3 | Low | 49 Ų | 49 | 88.3 Ų | 88.3 | 51% | 0.505 | 55% | 0.55 | S | S | . | * | trans | -69.6 | 119.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | T44 I48 | T44-G46 PolarHBondContact O-N 3.03Å; G46-I48 WeakPolarHBondContact O-CG1 3.42Å; G46-I48 PolarHBondContact O-N 3.06Å; G46-I48 VanDerWaalsContact O-N 3.13Å | ||
| 47 | G | 34.8 | Very low | 52.8 | Low | 73 Ų | 73 | 92.9 Ų | 92.9 | 75% | 0.753 | 56% | 0.558 | S | S | * | * | trans | -47.2 | 115.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L45 F49 | L45-G47 PolarHBondContact O-N 3.23Å; G47-F49 VanDerWaalsContact C-N 3.34Å; G47-F49 PolarHBondContact O-N 3.34Å; G47-F49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | I | 40.6 | Very low | 55.3 | Low | 62 Ų | 62 | 87.4 Ų | 87.4 | 32% | 0.318 | 52% | 0.524 | S | S | . | . | trans | -89.2 | 69 | -177.6 | -45.1 | 172.7 | 0 | 0 | 0 | 110.1 | G46 W51 | G46-I48 WeakPolarHBondContact O-CG1 3.42Å; G46-I48 PolarHBondContact O-N 3.06Å; G46-I48 VanDerWaalsContact O-N 3.13Å; I48-W51 HydrophobicContact CB-CD2 4.2Å; I48-W51 HydrophobicContact CB-CE3 3.96Å; I48-W51 HydrophobicContact CB-CZ3 4.16Å; I48-W51 HydrophobicContact CD1-CE3 3.5Å; I48-W51 HydrophobicContact CD1-CH2 4.13Å; I48-W51 HydrophobicContact CD1-CZ3 3.24Å; I48-W51 HydrophobicContact CG1-CD2 4.24Å; I48-W51 HydrophobicContact CG1-CE3 3.6Å; I48-W51 HydrophobicContact CG1-CH2 3.73Å; I48-W51 HydrophobicContact CG1-CZ2 4.39Å; I48-W51 HydrophobicContact CG1-CZ3 3.31Å; I48-W51 HydrophobicContact CG2-CB 3.39Å; I48-W51 HydrophobicContact CG2-CD2 3.12Å; I48-W51 HydrophobicContact CG2-CE3 3.14Å; I48-W51 HydrophobicContact CG2-CG 3.27Å; I48-W51 HydrophobicContact CG2-CH2 4.42Å; I48-W51 HydrophobicContact CG2-CZ2 4.44Å; I48-W51 HydrophobicContact CG2-CZ3 3.84Å | ||
| 49 | F | 42.4 | Very low | 57.6 | Low | 212 Ų | 212 | 86 Ų | 86 | 93% | 0.93 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -86.3 | 105.4 | 161.8 | -78.2 | -78.8 | 0 | 0 | 0 | 108 | G47 | G47-F49 VanDerWaalsContact C-N 3.34Å; G47-F49 PolarHBondContact O-N 3.34Å; G47-F49 VanDerWaalsContact O-N 3.13Å |
| 50 | G | 51 | Low | 60.3 | Low | 77 Ų | 77 | 88.6 Ų | 88.6 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 116.7 | 1.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 51 | W | 53.4 | Low | 62.9 | Low | 91 Ų | 91 | 91.4 Ų | 91.4 | 35% | 0.345 | 51% | 0.508 | S | S | . | . | trans | -79.5 | 137.4 | 173.7 | -63.4 | -12.9 | 0 | 0 | 0 | 112.5 | I48 D55 | I48-W51 HydrophobicContact CB-CD2 4.2Å; I48-W51 HydrophobicContact CB-CE3 3.96Å; I48-W51 HydrophobicContact CB-CZ3 4.16Å; I48-W51 HydrophobicContact CD1-CE3 3.5Å; I48-W51 HydrophobicContact CD1-CH2 4.13Å; I48-W51 HydrophobicContact CD1-CZ3 3.24Å; I48-W51 HydrophobicContact CG1-CD2 4.24Å; I48-W51 HydrophobicContact CG1-CE3 3.6Å; I48-W51 HydrophobicContact CG1-CH2 3.73Å; I48-W51 HydrophobicContact CG1-CZ2 4.39Å; I48-W51 HydrophobicContact CG1-CZ3 3.31Å; I48-W51 HydrophobicContact CG2-CB 3.39Å; I48-W51 HydrophobicContact CG2-CD2 3.12Å; I48-W51 HydrophobicContact CG2-CE3 3.14Å; I48-W51 HydrophobicContact CG2-CG 3.27Å; I48-W51 HydrophobicContact CG2-CH2 4.42Å; I48-W51 HydrophobicContact CG2-CZ2 4.44Å; I48-W51 HydrophobicContact CG2-CZ3 3.84Å; W51-D55 HydrophobicContact CB-CB 3.99Å; W51-D55 HydrophobicContact CD2-CB 4.46Å; W51-D55 HydrophobicContact CG-CB 4.24Å | ||
| 52 | G | 70.9 | Confident | 65.4 | Low | 29 Ų | 29 | 90.1 Ų | 90.1 | 30% | 0.299 | 50% | 0.502 | S | S | . | . | trans | -69.1 | 165.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K54 D55 K56 | G52-K54 PolarHBondContact O-N 3.28Å; G52-K54 VanDerWaalsContact O-N 3.07Å; G52-D55 PolarHBondContact O-N 3.1Å; G52-K56 PolarHBondContact O-N 3.03Å | ||
| 53 | T | 83.1 | Confident | 68.1 | Low | 104 Ų | 104 | 90.8 Ų | 90.8 | 64% | 0.638 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -55.1 | -28.2 | -179 | -48.6 | 0 | 0 | 0 | 0 | 113.8 | K57 | T53-K57 WeakPolarHBondContact O-CG 3.19Å; T53-K57 PolarHBondContact O-N 2.88Å |
| 54 | K | 85.8 | Confident | 70.8 | Confident | 120 Ų | 120 | 85.3 Ų | 85.3 | 52% | 0.522 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -54.5 | 177 | -169.3 | -166.9 | -177.9 | -154.2 | 0 | 111.9 | G52 K56 K57 L58 D119 | G52-K54 PolarHBondContact O-N 3.28Å; G52-K54 VanDerWaalsContact O-N 3.07Å; K54-K56 VanDerWaalsContact C-N 3.29Å; K54-K56 PolarHBondContact O-N 2.98Å; K54-K57 WeakPolarHBondContact O-CB 3.47Å; K54-K57 PolarHBondContact O-N 2.97Å; K54-L58 HydrophobicContact CD-CD1 4.48Å; K54-L58 HydrophobicContact CG-CD1 4.19Å; K54-L58 WeakPolarHBondContact O-CG 3.41Å; K54-L58 PolarHBondContact O-N 3.14Å; K54-D119 PolarHBondContact NZ-O 3.46Å |
| 55 | D | 87.7 | Confident | 73.3 | Confident | 7 Ų | 7 | 81.9 Ų | 81.9 | 4% | 0.037 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.4 | -36.4 | -176.8 | -64.9 | -15.9 | 0 | 0 | 0 | 111.4 | W51 G52 K57 L58 Q59 K121 | W51-D55 HydrophobicContact CB-CB 3.99Å; W51-D55 HydrophobicContact CD2-CB 4.46Å; W51-D55 HydrophobicContact CG-CB 4.24Å; G52-D55 PolarHBondContact O-N 3.1Å; D55-K57 VanDerWaalsContact C-N 3.33Å; D55-K57 PolarHBondContact O-N 3.04Å; D55-L58 PolarHBondContact O-N 2.95Å; D55-Q59 WeakPolarHBondContact O-CB 3.31Å; D55-Q59 PolarHBondContact O-N 2.96Å; D55-K121 PolarHBondContact OD1-N 3.09Å; D55-K121 VanDerWaalsContact OD1-N 3.09Å |
| 56 | K | 88.8 | Confident | 75.9 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 173.2 | -69.9 | -174.3 | 179 | -177.6 | 0 | 112.7 | G52 K54 K60 | G52-K56 PolarHBondContact O-N 3.03Å; K54-K56 VanDerWaalsContact C-N 3.29Å; K54-K56 PolarHBondContact O-N 2.98Å; K56-K60 PolarHBondContact O-N 2.75Å; K56-K60 VanDerWaalsContact O-N 3.14Å |
| 57 | K | 92.2 | Very high | 78.4 | Confident | 138 Ų | 138 | 79.6 Ų | 79.6 | 60% | 0.6 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.8 | -42.4 | 176.1 | -74.7 | 179.3 | 178.5 | -175.3 | 0 | 111.6 | T53 K54 D55 K60 Q61 | T53-K57 WeakPolarHBondContact O-CG 3.19Å; T53-K57 PolarHBondContact O-N 2.88Å; K54-K57 WeakPolarHBondContact O-CB 3.47Å; K54-K57 PolarHBondContact O-N 2.97Å; D55-K57 VanDerWaalsContact C-N 3.33Å; D55-K57 PolarHBondContact O-N 3.04Å; K57-K60 PolarHBondContact O-N 2.52Å; K57-Q61 WeakPolarHBondContact O-CG 3.41Å; K57-Q61 PolarHBondContact O-N 2.71Å |
| 58 | L | 92.4 | Very high | 81.2 | Confident | 14 Ų | 14 | 77.7 Ų | 77.7 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.4 | -66.3 | 170.7 | 0 | 0 | 0 | 111.3 | K54 D55 K60 Q61 I62 A116 D119 K120 | K54-L58 HydrophobicContact CD-CD1 4.48Å; K54-L58 HydrophobicContact CG-CD1 4.19Å; K54-L58 WeakPolarHBondContact O-CG 3.41Å; K54-L58 PolarHBondContact O-N 3.14Å; D55-L58 PolarHBondContact O-N 2.95Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 3.13Å; L58-Q61 WeakPolarHBondContact O-CB 3.47Å; L58-Q61 PolarHBondContact O-N 3.46Å; L58-I62 WeakPolarHBondContact O-CG1 3.49Å; L58-I62 PolarHBondContact O-N 3.09Å; L58-A116 HydrophobicContact CD2-CB 4.25Å; L58-D119 VanDerWaalsContact CD1-C 3.5Å; L58-D119 HydrophobicContact CD1-CB 3.77Å; L58-D119 WeakPolarHBondContact CD1-O 3.49Å; L58-D119 HydrophobicContact CD2-CB 4.08Å; L58-K120 HydrophobicContact CB-CG 4.06Å; L58-K120 HydrophobicContact CD1-CB 4.47Å; L58-K120 HydrophobicContact CD1-CG 3.81Å |
| 59 | Q | 90.9 | Very high | 83.5 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 13% | 0.131 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 175.8 | -173.6 | 59.6 | 42.4 | 0 | 0 | 111.9 | D55 Q61 I62 E63 | D55-Q59 WeakPolarHBondContact O-CB 3.31Å; D55-Q59 PolarHBondContact O-N 2.96Å; Q59-Q61 VanDerWaalsContact C-N 3.33Å; Q59-Q61 PolarHBondContact O-N 3.08Å; Q59-I62 PolarHBondContact O-N 3.38Å; Q59-E63 WeakPolarHBondContact O-CG 3.38Å; Q59-E63 PolarHBondContact O-N 2.9Å |
| 60 | K | 91.3 | Very high | 85.8 | Confident | 133 Ų | 133 | 71 Ų | 71 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.2 | -35.3 | 174.9 | -172.7 | 175.8 | -178 | 178.2 | 0 | 112.8 | K56 K57 L58 N64 | K56-K60 PolarHBondContact O-N 2.75Å; K56-K60 VanDerWaalsContact O-N 3.14Å; K57-K60 PolarHBondContact O-N 2.52Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 3.13Å; K60-N64 PolarHBondContact O-N 3.41Å; K60-N64 VanDerWaalsContact O-N 3.07Å; K60-N64 PolarHBondContact O-ND2 3.47Å |
| 61 | Q | 92.1 | Very high | 87.7 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 173.9 | -73.1 | 175.8 | -7.4 | 0 | 0 | 111 | K57 L58 Q59 E63 N64 H65 | K57-Q61 WeakPolarHBondContact O-CG 3.41Å; K57-Q61 PolarHBondContact O-N 2.71Å; L58-Q61 WeakPolarHBondContact O-CB 3.47Å; L58-Q61 PolarHBondContact O-N 3.46Å; Q59-Q61 VanDerWaalsContact C-N 3.33Å; Q59-Q61 PolarHBondContact O-N 3.08Å; Q61-E63 PolarHBondContact O-N 3.46Å; Q61-N64 PolarHBondContact O-N 2.55Å; Q61-H65 PolarHBondContact O-CD2 3.16Å; Q61-H65 PolarHBondContact O-N 2.74Å |
| 62 | I | 92 | Very high | 89.5 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.4 | -50.2 | 175 | -66.5 | 168.8 | 0 | 0 | 0 | 110 | L58 Q59 N64 H65 Q66 M113 A116 E117 K120 | L58-I62 WeakPolarHBondContact O-CG1 3.49Å; L58-I62 PolarHBondContact O-N 3.09Å; Q59-I62 PolarHBondContact O-N 3.38Å; I62-N64 VanDerWaalsContact C-N 3.3Å; I62-N64 PolarHBondContact O-N 2.8Å; I62-H65 PolarHBondContact O-N 2.73Å; I62-H65 VanDerWaalsContact O-N 3.14Å; I62-Q66 HydrophobicContact CG2-CG 4.3Å; I62-Q66 VanDerWaalsContact O-CG 3.27Å; I62-Q66 WeakPolarHBondContact O-CG 3.32Å; I62-Q66 PolarHBondContact O-N 3.46Å; I62-M113 HydrophobicContact CG2-CE 4.14Å; I62-M113 HydrophobicContact CG2-CG 4.32Å; I62-A116 HydrophobicContact CD1-CB 4.12Å; I62-A116 HydrophobicContact CG1-CB 3.73Å; I62-E117 HydrophobicContact CD1-CB 4.21Å; I62-E117 WeakPolarHBondContact CD1-OE2 3.29Å; I62-K120 HydrophobicContact CD1-CD 4.41Å |
| 63 | E | 90.9 | Very high | 90.3 | Very high | 70 Ų | 70 | 72.6 Ų | 72.6 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.6 | -37.3 | 178.1 | -73.2 | 170 | -164 | 0 | 0 | 113.5 | Q59 Q61 Q66 K67 | Q59-E63 WeakPolarHBondContact O-CG 3.38Å; Q59-E63 PolarHBondContact O-N 2.9Å; Q61-E63 PolarHBondContact O-N 3.46Å; E63-Q66 PolarHBondContact O-N 2.69Å; E63-K67 WeakPolarHBondContact O-CG 3.36Å; E63-K67 PolarHBondContact O-N 2.98Å; E63-K67 VanDerWaalsContact O-N 3.09Å |
| 64 | N | 93.1 | Very high | 90.6 | Very high | 87 Ų | 87 | 73.6 Ų | 73.6 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 176.6 | -72.1 | -21.2 | 0 | 0 | 0 | 111.7 | K60 Q61 I62 Q66 K67 A68 | K60-N64 PolarHBondContact O-N 3.41Å; K60-N64 VanDerWaalsContact O-N 3.07Å; K60-N64 PolarHBondContact O-ND2 3.47Å; Q61-N64 PolarHBondContact O-N 2.55Å; I62-N64 VanDerWaalsContact C-N 3.3Å; I62-N64 PolarHBondContact O-N 2.8Å; N64-Q66 VanDerWaalsContact C-N 3.35Å; N64-K67 PolarHBondContact O-N 2.98Å; N64-A68 PolarHBondContact O-N 3.22Å |
| 65 | H | 92.6 | Very high | 90.7 | Very high | 47 Ų | 47 | 73.8 Ų | 73.8 | 22% | 0.218 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -38.6 | 175 | -72.6 | -58.9 | 0 | 0 | 0 | 111.8 | Q61 I62 K67 A68 I69 N109 S112 M113 | Q61-H65 PolarHBondContact O-CD2 3.16Å; Q61-H65 PolarHBondContact O-N 2.74Å; I62-H65 PolarHBondContact O-N 2.73Å; I62-H65 VanDerWaalsContact O-N 3.14Å; H65-K67 PolarHBondContact O-N 2.87Å; H65-A68 WeakPolarHBondContact O-CB 3.48Å; H65-A68 PolarHBondContact O-N 2.84Å; H65-I69 WeakPolarHBondContact O-CG1 3.42Å; H65-I69 PolarHBondContact O-N 2.75Å; H65-N109 HydrophobicContact CB-CB 4.23Å; H65-N109 PolarHBondContact ND1-OD1 2.89Å; H65-S112 WeakPolarHBondContact NE2-CB 3.18Å; H65-M113 HydrophobicContact CB-CG 3.41Å; H65-M113 VanDerWaalsContact CB-CG 3.41Å; H65-M113 HydrophobicContact CB-SD 3.55Å; H65-M113 VanDerWaalsContact CB-SD 3.55Å |
| 66 | Q | 90.8 | Very high | 90.7 | Very high | 38 Ų | 38 | 74 Ų | 74 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 174.4 | -70 | 179.3 | -26.3 | 0 | 0 | 112.1 | I41 I62 E63 N64 A68 I69 E70 M113 | I41-Q66 HydrophobicContact CG2-CB 3.59Å; I41-Q66 HydrophobicContact CG2-CG 3.27Å; I62-Q66 HydrophobicContact CG2-CG 4.3Å; I62-Q66 VanDerWaalsContact O-CG 3.27Å; I62-Q66 WeakPolarHBondContact O-CG 3.32Å; I62-Q66 PolarHBondContact O-N 3.46Å; E63-Q66 PolarHBondContact O-N 2.69Å; N64-Q66 VanDerWaalsContact C-N 3.35Å; Q66-A68 VanDerWaalsContact C-N 3.31Å; Q66-A68 PolarHBondContact O-N 3.33Å; Q66-I69 PolarHBondContact O-N 2.83Å; Q66-E70 PolarHBondContact O-N 3.33Å; Q66-M113 HydrophobicContact CG-CE 3.52Å; Q66-M113 HydrophobicContact CG-SD 4.02Å |
| 67 | K | 90.6 | Very high | 90.6 | Very high | 127 Ų | 127 | 71.4 Ų | 71.4 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64 | -35.2 | 175.4 | -71.2 | 175.6 | -176.9 | 176.6 | 0 | 112.9 | E63 N64 H65 K71 | E63-K67 WeakPolarHBondContact O-CG 3.36Å; E63-K67 PolarHBondContact O-N 2.98Å; E63-K67 VanDerWaalsContact O-N 3.09Å; N64-K67 PolarHBondContact O-N 2.98Å; H65-K67 PolarHBondContact O-N 2.87Å; K67-K71 PolarHBondContact O-N 3.47Å |
| 68 | A | 91.7 | Very high | 90.3 | Very high | 34 Ų | 34 | 70.5 Ų | 70.5 | 28% | 0.281 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N64 H65 Q66 E70 K71 L72 | N64-A68 PolarHBondContact O-N 3.22Å; H65-A68 WeakPolarHBondContact O-CB 3.48Å; H65-A68 PolarHBondContact O-N 2.84Å; Q66-A68 VanDerWaalsContact C-N 3.31Å; Q66-A68 PolarHBondContact O-N 3.33Å; A68-E70 VanDerWaalsContact C-N 3.35Å; A68-E70 PolarHBondContact O-N 3.32Å; A68-K71 PolarHBondContact O-N 3.49Å; A68-L72 VanDerWaalsContact O-CG 3.28Å; A68-L72 WeakPolarHBondContact O-CG 3.17Å; A68-L72 PolarHBondContact O-N 2.89Å |
| 69 | I | 90.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 175.7 | -69.2 | 164.6 | 0 | 0 | 0 | 111.3 | H65 Q66 K71 L72 R73 Q106 N109 L110 M113 | H65-I69 WeakPolarHBondContact O-CG1 3.42Å; H65-I69 PolarHBondContact O-N 2.75Å; Q66-I69 PolarHBondContact O-N 2.83Å; I69-K71 PolarHBondContact O-N 2.76Å; I69-L72 WeakPolarHBondContact O-CB 3.14Å; I69-L72 PolarHBondContact O-N 3.45Å; I69-L72 VanDerWaalsContact O-N 3.16Å; I69-R73 HydrophobicContact CG2-CG 4.36Å; I69-R73 WeakPolarHBondContact O-CG 3.02Å; I69-R73 PolarHBondContact O-N 3.36Å; I69-Q106 HydrophobicContact CG2-CG 4.47Å; I69-N109 HydrophobicContact CD1-CB 3.75Å; I69-N109 HydrophobicContact CG1-CB 3.66Å; I69-L110 HydrophobicContact CD1-CD2 3.82Å; I69-L110 HydrophobicContact CD1-CG 3.8Å; I69-M113 HydrophobicContact CD1-SD 3.66Å |
| 70 | E | 89 | Confident | 89.6 | Confident | 133 Ų | 133 | 70.9 Ų | 70.9 | 62% | 0.621 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.7 | -47.7 | 177.9 | -172.3 | 172.5 | -162.6 | 0 | 0 | 112 | Q66 A68 L72 R73 E74 | Q66-E70 PolarHBondContact O-N 3.33Å; A68-E70 VanDerWaalsContact C-N 3.35Å; A68-E70 PolarHBondContact O-N 3.32Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.24Å; E70-R73 PolarHBondContact O-N 2.86Å; E70-E74 PolarHBondContact O-N 3.21Å; E70-E74 VanDerWaalsContact O-N 3.12Å |
| 71 | K | 90.8 | Very high | 89.1 | Confident | 152 Ų | 152 | 68.7 Ų | 68.7 | 66% | 0.661 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.2 | -37.2 | 174.7 | -66.4 | -177.7 | 178.8 | -170.9 | 0 | 113 | K67 A68 I69 R73 E74 R75 | K67-K71 PolarHBondContact O-N 3.47Å; A68-K71 PolarHBondContact O-N 3.49Å; I69-K71 PolarHBondContact O-N 2.76Å; K71-R73 VanDerWaalsContact C-N 3.32Å; K71-E74 PolarHBondContact O-N 3.49Å; K71-R75 PolarHBondContact O-N 3.36Å; K71-R75 VanDerWaalsContact O-N 3.08Å |
| 72 | L | 92.4 | Very high | 88.5 | Confident | 27 Ų | 27 | 65.4 Ų | 65.4 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65 | -38 | 176.2 | -73.4 | 166.3 | 0 | 0 | 0 | 111 | A68 I69 E70 R75 Y76 N102 T105 Q106 | A68-L72 VanDerWaalsContact O-CG 3.28Å; A68-L72 WeakPolarHBondContact O-CG 3.17Å; A68-L72 PolarHBondContact O-N 2.89Å; I69-L72 WeakPolarHBondContact O-CB 3.14Å; I69-L72 PolarHBondContact O-N 3.45Å; I69-L72 VanDerWaalsContact O-N 3.16Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.24Å; L72-R75 PolarHBondContact O-N 2.94Å; L72-Y76 WeakPolarHBondContact O-CB 3.41Å; L72-Y76 PolarHBondContact O-N 3.18Å; L72-N102 PolarHBondContact O-ND2 2.9Å; L72-N102 PolarHBondContact O-OD1 2.9Å; L72-N102 VanDerWaalsContact O-OD1 3.13Å; L72-T105 HydrophobicContact CD1-CG2 3.74Å; L72-T105 HydrophobicContact CD2-CG2 4.21Å; L72-Q106 HydrophobicContact CB-CG 3.63Å; L72-Q106 HydrophobicContact CD1-CG 3.83Å; L72-Q106 HydrophobicContact CG-CG 4.34Å |
| 73 | R | 87 | Confident | 87.8 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 19% | 0.192 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 175.9 | -72.5 | 178.4 | -177 | 165.7 | 4.5 | 112.9 | I69 E70 K71 Y76 S77 | I69-R73 HydrophobicContact CG2-CG 4.36Å; I69-R73 WeakPolarHBondContact O-CG 3.02Å; I69-R73 PolarHBondContact O-N 3.36Å; E70-R73 PolarHBondContact O-N 2.86Å; K71-R73 VanDerWaalsContact C-N 3.32Å; R73-Y76 WeakPolarHBondContact O-CB 3.34Å; R73-Y76 PolarHBondContact O-N 3.49Å; R73-S77 PolarHBondContact O-N 3.26Å |
| 74 | E | 89.1 | Confident | 86.8 | Confident | 125 Ų | 125 | 63.8 Ų | 63.8 | 58% | 0.584 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.2 | -51.7 | 173.9 | -175.1 | 174.9 | -159.4 | 0 | 0 | 110.2 | E70 K71 Y76 S77 E78 | E70-E74 PolarHBondContact O-N 3.21Å; E70-E74 VanDerWaalsContact O-N 3.12Å; K71-E74 PolarHBondContact O-N 3.49Å; E74-Y76 VanDerWaalsContact C-N 3.29Å; E74-Y76 PolarHBondContact O-N 2.96Å; E74-S77 WeakPolarHBondContact O-CB 3.34Å; E74-S77 PolarHBondContact O-N 3.42Å; E74-E78 PolarHBondContact O-N 2.88Å |
| 75 | R | 89.2 | Confident | 85.7 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | 174.8 | -175.6 | -179.8 | 178.3 | 179.4 | 2.2 | 113 | K71 L72 S77 E78 L79 E98 | K71-R75 PolarHBondContact O-N 3.36Å; K71-R75 VanDerWaalsContact O-N 3.08Å; L72-R75 PolarHBondContact O-N 2.94Å; R75-S77 VanDerWaalsContact C-N 3.32Å; R75-E78 PolarHBondContact O-N 2.77Å; R75-L79 HydrophobicContact CG-CD1 4.09Å; R75-L79 HydrophobicContact CG-CG 4.38Å; R75-L79 WeakPolarHBondContact O-CB 3.24Å; R75-L79 WeakPolarHBondContact O-CG 3.31Å; R75-L79 PolarHBondContact O-N 3.03Å; R75-E98 IonicContact CZ-OE2 2.76Å; R75-E98 IonicContact NE-OE2 3.72Å; R75-E98 IonicContact NH2-OE2 3.69Å; R75-E98 PolarHBondContact NH2-OE2 3.36Å |
| 76 | Y | 87.6 | Confident | 84.7 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.5 | -179.2 | -86.1 | 0 | 0 | 0 | 111.5 | I35 L72 R73 E74 L79 K80 M99 N102 L103 | I35-Y76 HydrophobicContact CD1-CD1 3.28Å; I35-Y76 HydrophobicContact CD1-CD2 3.97Å; I35-Y76 HydrophobicContact CD1-CE1 3.27Å; I35-Y76 HydrophobicContact CD1-CE2 3.95Å; I35-Y76 HydrophobicContact CD1-CG 3.64Å; I35-Y76 HydrophobicContact CG1-CD1 4.12Å; I35-Y76 HydrophobicContact CG1-CE1 3.71Å; L72-Y76 WeakPolarHBondContact O-CB 3.41Å; L72-Y76 PolarHBondContact O-N 3.18Å; R73-Y76 WeakPolarHBondContact O-CB 3.34Å; R73-Y76 PolarHBondContact O-N 3.49Å; E74-Y76 VanDerWaalsContact C-N 3.29Å; E74-Y76 PolarHBondContact O-N 2.96Å; Y76-L79 PolarHBondContact O-N 3.21Å; Y76-K80 WeakPolarHBondContact O-CB 3.41Å; Y76-K80 PolarHBondContact O-N 2.76Å; Y76-M99 HydrophobicContact CD2-CB 4.16Å; Y76-M99 HydrophobicContact CD2-CE 4.34Å; Y76-M99 HydrophobicContact CD2-CG 4.22Å; Y76-M99 HydrophobicContact CE1-CE 3.97Å; Y76-M99 HydrophobicContact CE2-CB 3.84Å; Y76-M99 HydrophobicContact CE2-CE 3.51Å; Y76-M99 HydrophobicContact CE2-CG 4.07Å; Y76-M99 VanDerWaalsContact OH-CE 3.25Å; Y76-M99 WeakPolarHBondContact OH-CE 3.35Å; Y76-N102 PolarHBondContact N-ND2 3.08Å; Y76-L103 HydrophobicContact CD2-CD1 4.35Å; Y76-L103 HydrophobicContact CD2-CD2 4.19Å; Y76-L103 HydrophobicContact CD2-CG 3.91Å; Y76-L103 HydrophobicContact CE2-CD1 3.54Å; Y76-L103 HydrophobicContact CE2-CD2 4.03Å; Y76-L103 HydrophobicContact CE2-CG 3.61Å |
| 77 | S | 85.9 | Confident | 83.5 | Confident | 62 Ų | 62 | 64 Ų | 64 | 43% | 0.434 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 174.8 | -162.8 | 0 | 0 | 0 | 0 | 111.3 | R73 E74 R75 L79 K80 D81 | R73-S77 PolarHBondContact O-N 3.26Å; E74-S77 WeakPolarHBondContact O-CB 3.34Å; E74-S77 PolarHBondContact O-N 3.42Å; R75-S77 VanDerWaalsContact C-N 3.32Å; S77-L79 VanDerWaalsContact C-N 3.32Å; S77-L79 PolarHBondContact O-N 3.26Å; S77-K80 WeakPolarHBondContact O-CB 3.38Å; S77-K80 PolarHBondContact O-N 2.9Å; S77-D81 PolarHBondContact O-N 3.49Å |
| 78 | E | 87.1 | Confident | 82.7 | Confident | 118 Ų | 118 | 59.9 Ų | 59.9 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 176.3 | -66.4 | 173.7 | 171 | 0 | 0 | 112.1 | E74 R75 K80 D81 A82 | E74-E78 PolarHBondContact O-N 2.88Å; R75-E78 PolarHBondContact O-N 2.77Å; E78-K80 VanDerWaalsContact C-N 3.35Å; E78-D81 PolarHBondContact O-N 2.85Å; E78-A82 WeakPolarHBondContact O-CB 3.37Å; E78-A82 PolarHBondContact O-N 3.33Å |
| 79 | L | 86.9 | Confident | 81.8 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 176.5 | -73.1 | 167.5 | 0 | 0 | 0 | 112 | R75 Y76 S77 A82 M83 Y95 E98 M99 | R75-L79 HydrophobicContact CG-CD1 4.09Å; R75-L79 HydrophobicContact CG-CG 4.38Å; R75-L79 WeakPolarHBondContact O-CB 3.24Å; R75-L79 WeakPolarHBondContact O-CG 3.31Å; R75-L79 PolarHBondContact O-N 3.03Å; Y76-L79 PolarHBondContact O-N 3.21Å; S77-L79 VanDerWaalsContact C-N 3.32Å; S77-L79 PolarHBondContact O-N 3.26Å; L79-A82 PolarHBondContact O-N 3.45Å; L79-M83 WeakPolarHBondContact O-CB 3.28Å; L79-M83 PolarHBondContact O-N 3.2Å; L79-Y95 HydrophobicContact CD2-CD1 4.06Å; L79-E98 HydrophobicContact CD1-CB 3.77Å; L79-E98 HydrophobicContact CD2-CB 3.73Å; L79-E98 HydrophobicContact CD2-CG 4.46Å; L79-E98 WeakPolarHBondContact CD2-OE2 3.5Å; L79-E98 HydrophobicContact CG-CB 4.41Å; L79-M99 HydrophobicContact CB-CG 3.61Å; L79-M99 HydrophobicContact CB-SD 4.43Å; L79-M99 HydrophobicContact CD1-CG 4.2Å |
| 80 | K | 80.4 | Confident | 81.1 | Confident | 39 Ų | 39 | 65 Ų | 65 | 17% | 0.17 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 175.4 | -172.3 | -180 | -179.7 | 168.4 | 0 | 110.7 | V30 V31 Y76 S77 E78 A82 M83 D84 M99 | V30-K80 HydrophobicContact CG1-CG 3.93Å; V31-K80 WeakPolarHBondContact O-CE 3.36Å; V31-K80 PolarHBondContact O-NZ 3.43Å; Y76-K80 WeakPolarHBondContact O-CB 3.41Å; Y76-K80 PolarHBondContact O-N 2.76Å; S77-K80 WeakPolarHBondContact O-CB 3.38Å; S77-K80 PolarHBondContact O-N 2.9Å; E78-K80 VanDerWaalsContact C-N 3.35Å; K80-A82 VanDerWaalsContact C-N 3.34Å; K80-A82 PolarHBondContact O-N 3.35Å; K80-M83 WeakPolarHBondContact O-CB 3.16Å; K80-M83 PolarHBondContact O-N 3.05Å; K80-M83 VanDerWaalsContact O-N 3.16Å; K80-D84 PolarHBondContact O-N 2.88Å; K80-M99 HydrophobicContact CB-CE 4.22Å; K80-M99 HydrophobicContact CG-CE 4.45Å |
| 81 | D | 80.6 | Confident | 80.7 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 177.9 | -66.7 | -22.9 | 0 | 0 | 0 | 111.3 | S77 E78 M83 D84 N85 | S77-D81 PolarHBondContact O-N 3.49Å; E78-D81 PolarHBondContact O-N 2.85Å; D81-M83 VanDerWaalsContact C-N 3.28Å; D81-M83 PolarHBondContact O-N 2.9Å; D81-D84 PolarHBondContact O-N 2.81Å; D81-N85 PolarHBondContact O-N 3.13Å; D81-N85 PolarHBondContact O-ND2 3.23Å |
| 82 | A | 80.5 | Confident | 80.2 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E78 L79 K80 N85 A86 Y95 | E78-A82 WeakPolarHBondContact O-CB 3.37Å; E78-A82 PolarHBondContact O-N 3.33Å; L79-A82 PolarHBondContact O-N 3.45Å; K80-A82 VanDerWaalsContact C-N 3.34Å; K80-A82 PolarHBondContact O-N 3.35Å; A82-N85 PolarHBondContact O-N 2.84Å; A82-A86 PolarHBondContact O-N 3.45Å; A82-A86 VanDerWaalsContact O-N 3.14Å; A82-Y95 HydrophobicContact CB-CD1 4.3Å; A82-Y95 HydrophobicContact CB-CD2 4.3Å; A82-Y95 HydrophobicContact CB-CE1 3.98Å; A82-Y95 HydrophobicContact CB-CE2 3.97Å; A82-Y95 HydrophobicContact CB-CG 4.47Å |
| 83 | M | 76.4 | Confident | 79.8 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.6 | -40.7 | 177 | -160.1 | 166.6 | 69.4 | 0 | 0 | 112.3 | V30 L79 K80 D81 N85 A86 L92 Y95 N96 M99 | V30-M83 HydrophobicContact CB-CE 4.26Å; V30-M83 HydrophobicContact CG1-CE 3.43Å; V30-M83 VanDerWaalsContact CG1-CE 3.43Å; V30-M83 HydrophobicContact CG2-CB 4.23Å; V30-M83 HydrophobicContact CG2-CE 3.87Å; V30-M83 HydrophobicContact CG2-CG 4.17Å; L79-M83 WeakPolarHBondContact O-CB 3.28Å; L79-M83 PolarHBondContact O-N 3.2Å; K80-M83 WeakPolarHBondContact O-CB 3.16Å; K80-M83 PolarHBondContact O-N 3.05Å; K80-M83 VanDerWaalsContact O-N 3.16Å; D81-M83 VanDerWaalsContact C-N 3.28Å; D81-M83 PolarHBondContact O-N 2.9Å; M83-N85 PolarHBondContact O-N 3.36Å; M83-A86 WeakPolarHBondContact O-CB 3.2Å; M83-A86 PolarHBondContact O-N 2.74Å; M83-L92 HydrophobicContact CG-CD1 3.49Å; M83-L92 VanDerWaalsContact CG-CD1 3.49Å; M83-L92 HydrophobicContact SD-CD1 4.01Å; M83-Y95 HydrophobicContact CB-CD2 4.36Å; M83-N96 HydrophobicContact SD-CB 4.22Å; M83-M99 HydrophobicContact CE-CE 4.12Å; M83-M99 HydrophobicContact CE-SD 3.55Å; M83-M99 VanDerWaalsContact CE-SD 3.55Å; M83-M99 HydrophobicContact SD-SD 3.86Å |
| 84 | D | 69.5 | Low | 79.9 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -26.9 | 175.1 | -88.6 | -47.6 | 0 | 0 | 0 | 112.9 | V30 K80 D81 | V30-D84 WeakPolarHBondContact CB-OD1 3.26Å; V30-D84 HydrophobicContact CG2-CB 4.14Å; V30-D84 VanDerWaalsContact CG2-CG 3.43Å; V30-D84 WeakPolarHBondContact CG2-OD1 3.36Å; K80-D84 PolarHBondContact O-N 2.88Å; D81-D84 PolarHBondContact O-N 2.81Å |
| 85 | N | 70.8 | Confident | 79.8 | Confident | 103 Ų | 103 | 57.9 Ų | 57.9 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 0.4 | 179 | -64.4 | -61.4 | 0 | 0 | 0 | 113.4 | D81 A82 M83 | D81-N85 PolarHBondContact O-N 3.13Å; D81-N85 PolarHBondContact O-ND2 3.23Å; A82-N85 PolarHBondContact O-N 2.84Å; M83-N85 PolarHBondContact O-N 3.36Å |
| 86 | A | 71.2 | Confident | 79.7 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | trans | -73.6 | 133.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F28 A82 M83 Y95 | F28-A86 HydrophobicContact CD2-CB 4.47Å; F28-A86 WeakPolarHBondContact CD2-O 3.27Å; F28-A86 WeakPolarHBondContact CE2-O 3.48Å; A82-A86 PolarHBondContact O-N 3.45Å; A82-A86 VanDerWaalsContact O-N 3.14Å; M83-A86 WeakPolarHBondContact O-CB 3.2Å; M83-A86 PolarHBondContact O-N 2.74Å; A86-Y95 HydrophobicContact CB-CD2 4.27Å; A86-Y95 HydrophobicContact CB-CE2 4.14Å | ||
| 87 | F | 66.6 | Low | 79.8 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | trans | -99.6 | -14.9 | 169 | -79 | -90.4 | 0 | 0 | 0 | 112.9 | I24 T25 P27 S209 | I24-F87 VanDerWaalsContact O-CE1 3.31Å; I24-F87 WeakPolarHBondContact O-CE1 3.22Å; T25-F87 WeakPolarHBondContact O-CZ 3.07Å; P27-F87 HydrophobicContact CG-CD1 3.9Å; P27-F87 HydrophobicContact CG-CE1 4.29Å; F87-S209 PolarHBondContact O-OG 3.18Å | ||
| 88 | D | 72.2 | Confident | 80.1 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 23% | 0.225 | 28% | 0.284 | C | S | . | . | trans | -103.5 | 128.8 | -173.9 | -178.4 | 3.4 | 0 | 0 | 0 | 111 | E90 R91 L92 | D88-E90 VanDerWaalsContact C-N 3.26Å; D88-E90 PolarHBondContact O-N 3.44Å; D88-E90 PolarHBondContact OD1-N 2.84Å; D88-R91 HydrophobicContact CB-CB 4.21Å; D88-R91 HydrophobicContact CB-CG 4.17Å; D88-R91 PolarHBondContact O-N 2.94Å; D88-L92 WeakPolarHBondContact O-CB 3.37Å; D88-L92 PolarHBondContact O-N 3.35Å | ||
| 89 | I | 73.3 | Confident | 80.2 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -35.4 | 175.1 | -65.6 | -176.2 | 0 | 0 | 0 | 111.8 | F28 L92 A93 L153 N205 R206 | F28-I89 HydrophobicContact CE1-CG1 4.2Å; F28-I89 HydrophobicContact CZ-CG1 3.72Å; I89-L92 WeakPolarHBondContact O-CB 3.29Å; I89-L92 PolarHBondContact O-N 3.31Å; I89-A93 PolarHBondContact O-N 3.33Å; I89-L153 HydrophobicContact CG2-CD2 3.21Å; I89-N205 HydrophobicContact CD1-CB 3.89Å; I89-R206 HydrophobicContact CD1-CG 3.75Å |
| 90 | E | 76.1 | Confident | 80.5 | Confident | 136 Ų | 136 | 51.4 Ų | 51.4 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.1 | -44.5 | 178.8 | -66.3 | -174.2 | -178.8 | 0 | 0 | 111.1 | D88 L92 A93 Q94 | D88-E90 VanDerWaalsContact C-N 3.26Å; D88-E90 PolarHBondContact O-N 3.44Å; D88-E90 PolarHBondContact OD1-N 2.84Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-A93 PolarHBondContact O-N 2.88Å; E90-Q94 WeakPolarHBondContact O-CG 3.25Å; E90-Q94 PolarHBondContact O-N 3.23Å |
| 91 | R | 81.2 | Confident | 81.2 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.8 | -70.1 | -174.3 | 178.6 | 170.8 | 1.5 | 111.9 | D88 A93 Q94 Y95 | D88-R91 HydrophobicContact CB-CB 4.21Å; D88-R91 HydrophobicContact CB-CG 4.17Å; D88-R91 PolarHBondContact O-N 2.94Å; R91-A93 VanDerWaalsContact C-N 3.34Å; R91-A93 PolarHBondContact O-N 3.02Å; R91-Q94 PolarHBondContact O-N 3.49Å; R91-Y95 HydrophobicContact CB-CD2 4.34Å; R91-Y95 HydrophobicContact CB-CE2 3.93Å; R91-Y95 WeakPolarHBondContact O-CD2 3.44Å; R91-Y95 PolarHBondContact O-N 3.38Å |
| 92 | L | 80.8 | Confident | 81.8 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.5 | -49 | 174.8 | 177.4 | 79.1 | 0 | 0 | 0 | 111.3 | F28 M83 D88 I89 E90 Q94 Y95 N96 L149 Q152 | F28-L92 HydrophobicContact CB-CD1 4.08Å; F28-L92 HydrophobicContact CD1-CD1 4.42Å; F28-L92 HydrophobicContact CD1-CD2 3.83Å; F28-L92 HydrophobicContact CD2-CB 4.45Å; F28-L92 HydrophobicContact CD2-CD1 3.92Å; F28-L92 HydrophobicContact CD2-CD2 4.35Å; F28-L92 HydrophobicContact CD2-CG 4.46Å; F28-L92 HydrophobicContact CE1-CD2 3.81Å; F28-L92 HydrophobicContact CE2-CB 4.29Å; F28-L92 HydrophobicContact CE2-CD2 4.35Å; F28-L92 HydrophobicContact CG-CD1 3.88Å; F28-L92 HydrophobicContact CG-CD2 4.12Å; F28-L92 HydrophobicContact CZ-CD2 4.1Å; M83-L92 HydrophobicContact CG-CD1 3.49Å; M83-L92 VanDerWaalsContact CG-CD1 3.49Å; M83-L92 HydrophobicContact SD-CD1 4.01Å; D88-L92 WeakPolarHBondContact O-CB 3.37Å; D88-L92 PolarHBondContact O-N 3.35Å; I89-L92 WeakPolarHBondContact O-CB 3.29Å; I89-L92 PolarHBondContact O-N 3.31Å; E90-L92 VanDerWaalsContact C-N 3.35Å; L92-Q94 VanDerWaalsContact C-N 3.34Å; L92-Q94 PolarHBondContact O-N 2.87Å; L92-Y95 PolarHBondContact O-N 3.39Å; L92-N96 WeakPolarHBondContact O-CB 3.47Å; L92-N96 PolarHBondContact O-N 3.49Å; L92-L149 HydrophobicContact CD2-CD1 3.84Å; L92-L149 HydrophobicContact CG-CD1 3.92Å; L92-Q152 HydrophobicContact CD2-CB 3.76Å; L92-Q152 HydrophobicContact CD2-CG 4.49Å |
| 93 | A | 84.1 | Confident | 82.5 | Confident | 35 Ų | 35 | 51 Ų | 51 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I89 E90 R91 N96 D97 L149 | I89-A93 PolarHBondContact O-N 3.33Å; E90-A93 PolarHBondContact O-N 2.88Å; R91-A93 VanDerWaalsContact C-N 3.34Å; R91-A93 PolarHBondContact O-N 3.02Å; A93-N96 PolarHBondContact O-N 3.39Å; A93-D97 PolarHBondContact O-N 3.49Å; A93-L149 HydrophobicContact CB-CD1 4.16Å; A93-L149 HydrophobicContact CB-CD2 4.46Å |
| 94 | Q | 88.1 | Confident | 83.4 | Confident | 117 Ų | 117 | 56.2 Ų | 56.2 | 55% | 0.547 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 175.8 | -72.2 | 174.1 | -11.2 | 0 | 0 | 112.3 | E90 R91 L92 N96 D97 E98 | E90-Q94 WeakPolarHBondContact O-CG 3.25Å; E90-Q94 PolarHBondContact O-N 3.23Å; R91-Q94 PolarHBondContact O-N 3.49Å; L92-Q94 VanDerWaalsContact C-N 3.34Å; L92-Q94 PolarHBondContact O-N 2.87Å; Q94-N96 VanDerWaalsContact C-N 3.3Å; Q94-N96 PolarHBondContact O-N 2.92Å; Q94-D97 PolarHBondContact O-N 2.82Å; Q94-E98 PolarHBondContact O-N 3.28Å |
| 95 | Y | 87.1 | Confident | 84.7 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 178.1 | -65.8 | -41.3 | 0 | 0 | 0 | 111.9 | L79 A82 M83 A86 R91 L92 E98 M99 | L79-Y95 HydrophobicContact CD2-CD1 4.06Å; A82-Y95 HydrophobicContact CB-CD1 4.3Å; A82-Y95 HydrophobicContact CB-CD2 4.3Å; A82-Y95 HydrophobicContact CB-CE1 3.98Å; A82-Y95 HydrophobicContact CB-CE2 3.97Å; A82-Y95 HydrophobicContact CB-CG 4.47Å; M83-Y95 HydrophobicContact CB-CD2 4.36Å; A86-Y95 HydrophobicContact CB-CD2 4.27Å; A86-Y95 HydrophobicContact CB-CE2 4.14Å; R91-Y95 HydrophobicContact CB-CD2 4.34Å; R91-Y95 HydrophobicContact CB-CE2 3.93Å; R91-Y95 WeakPolarHBondContact O-CD2 3.44Å; R91-Y95 PolarHBondContact O-N 3.38Å; L92-Y95 PolarHBondContact O-N 3.39Å; Y95-E98 PolarHBondContact O-N 3.01Å; Y95-M99 WeakPolarHBondContact O-CB 3.42Å; Y95-M99 VanDerWaalsContact O-CG 3.28Å; Y95-M99 WeakPolarHBondContact O-CG 3.5Å; Y95-M99 PolarHBondContact O-N 3.43Å |
| 96 | N | 86.6 | Confident | 85.7 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.043 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 174.7 | -165 | -88.1 | 0 | 0 | 0 | 112.2 | M83 L92 A93 Q94 E98 M99 V100 A145 L149 | M83-N96 HydrophobicContact SD-CB 4.22Å; L92-N96 WeakPolarHBondContact O-CB 3.47Å; L92-N96 PolarHBondContact O-N 3.49Å; A93-N96 PolarHBondContact O-N 3.39Å; Q94-N96 VanDerWaalsContact C-N 3.3Å; Q94-N96 PolarHBondContact O-N 2.92Å; N96-E98 VanDerWaalsContact C-N 3.31Å; N96-E98 PolarHBondContact O-N 3.43Å; N96-M99 WeakPolarHBondContact O-CB 3.46Å; N96-M99 PolarHBondContact O-N 3.43Å; N96-V100 WeakPolarHBondContact O-CG2 3.39Å; N96-V100 PolarHBondContact O-N 3.18Å; N96-A145 PolarHBondContact ND2-O 3Å; N96-L149 HydrophobicContact CB-CB 4.36Å; N96-L149 HydrophobicContact CB-CD1 4.35Å; N96-L149 HydrophobicContact CB-CD2 3.88Å; N96-L149 HydrophobicContact CB-CG 4.42Å |
| 97 | D | 91.2 | Very high | 86.9 | Confident | 104 Ų | 104 | 53 Ų | 53 | 56% | 0.556 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.7 | -42.5 | 175.4 | -178.2 | 69.2 | 0 | 0 | 0 | 111.5 | A93 Q94 M99 V100 K101 | A93-D97 PolarHBondContact O-N 3.49Å; Q94-D97 PolarHBondContact O-N 2.82Å; D97-M99 PolarHBondContact O-N 2.89Å; D97-V100 PolarHBondContact O-N 2.95Å; D97-K101 VanDerWaalsContact O-CB 3.22Å; D97-K101 WeakPolarHBondContact O-CB 3.26Å; D97-K101 PolarHBondContact O-N 2.82Å |
| 98 | E | 92.1 | Very high | 88.3 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 175.9 | -73 | -159.4 | -154.8 | 0 | 0 | 112.7 | R75 L79 Q94 Y95 N96 K101 N102 | R75-E98 IonicContact CZ-OE2 2.76Å; R75-E98 IonicContact NE-OE2 3.72Å; R75-E98 IonicContact NH2-OE2 3.69Å; R75-E98 PolarHBondContact NH2-OE2 3.36Å; L79-E98 HydrophobicContact CD1-CB 3.77Å; L79-E98 HydrophobicContact CD2-CB 3.73Å; L79-E98 HydrophobicContact CD2-CG 4.46Å; L79-E98 WeakPolarHBondContact CD2-OE2 3.5Å; L79-E98 HydrophobicContact CG-CB 4.41Å; Q94-E98 PolarHBondContact O-N 3.28Å; Y95-E98 PolarHBondContact O-N 3.01Å; N96-E98 VanDerWaalsContact C-N 3.31Å; N96-E98 PolarHBondContact O-N 3.43Å; E98-K101 PolarHBondContact O-N 3.37Å; E98-N102 WeakPolarHBondContact O-CB 3.4Å; E98-N102 PolarHBondContact O-N 2.88Å |
| 99 | M | 89.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 175 | -75.2 | 176.1 | 70.6 | 0 | 0 | 111.3 | Y76 L79 K80 M83 Y95 N96 D97 N102 L103 | Y76-M99 HydrophobicContact CD2-CB 4.16Å; Y76-M99 HydrophobicContact CD2-CE 4.34Å; Y76-M99 HydrophobicContact CD2-CG 4.22Å; Y76-M99 HydrophobicContact CE1-CE 3.97Å; Y76-M99 HydrophobicContact CE2-CB 3.84Å; Y76-M99 HydrophobicContact CE2-CE 3.51Å; Y76-M99 HydrophobicContact CE2-CG 4.07Å; Y76-M99 VanDerWaalsContact OH-CE 3.25Å; Y76-M99 WeakPolarHBondContact OH-CE 3.35Å; L79-M99 HydrophobicContact CB-CG 3.61Å; L79-M99 HydrophobicContact CB-SD 4.43Å; L79-M99 HydrophobicContact CD1-CG 4.2Å; K80-M99 HydrophobicContact CB-CE 4.22Å; K80-M99 HydrophobicContact CG-CE 4.45Å; M83-M99 HydrophobicContact CE-CE 4.12Å; M83-M99 HydrophobicContact CE-SD 3.55Å; M83-M99 VanDerWaalsContact CE-SD 3.55Å; M83-M99 HydrophobicContact SD-SD 3.86Å; Y95-M99 WeakPolarHBondContact O-CB 3.42Å; Y95-M99 VanDerWaalsContact O-CG 3.28Å; Y95-M99 WeakPolarHBondContact O-CG 3.5Å; Y95-M99 PolarHBondContact O-N 3.43Å; N96-M99 WeakPolarHBondContact O-CB 3.46Å; N96-M99 PolarHBondContact O-N 3.43Å; D97-M99 PolarHBondContact O-N 2.89Å; M99-N102 WeakPolarHBondContact O-CB 3.29Å; M99-N102 PolarHBondContact O-N 3.39Å; M99-L103 WeakPolarHBondContact O-CG 3.3Å; M99-L103 PolarHBondContact O-N 3.34Å |
| 100 | V | 91.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 178 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | N96 D97 N102 L103 K104 I142 A145 E146 | N96-V100 WeakPolarHBondContact O-CG2 3.39Å; N96-V100 PolarHBondContact O-N 3.18Å; D97-V100 PolarHBondContact O-N 2.95Å; V100-N102 VanDerWaalsContact C-N 3.33Å; V100-N102 PolarHBondContact O-N 3.46Å; V100-L103 PolarHBondContact O-N 2.89Å; V100-K104 HydrophobicContact CG1-CD 3.92Å; V100-K104 VanDerWaalsContact CG1-CE 3.48Å; V100-K104 HydrophobicContact CG1-CG 4.49Å; V100-K104 VanDerWaalsContact CG1-NZ 3.32Å; V100-K104 WeakPolarHBondContact O-CB 3.21Å; V100-K104 VanDerWaalsContact O-CG 3.32Å; V100-K104 WeakPolarHBondContact O-CG 3.45Å; V100-K104 PolarHBondContact O-N 3.04Å; V100-I142 HydrophobicContact CG1-CG2 4Å; V100-I142 HydrophobicContact CG2-CG2 4.25Å; V100-A145 HydrophobicContact CG2-CB 4.34Å; V100-E146 HydrophobicContact CG2-CG 4.09Å |
| 101 | K | 95.5 | Very high | 91.6 | Very high | 139 Ų | 139 | 49.9 Ų | 49.9 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63 | -39.7 | 176.1 | -176.2 | 177.6 | -178.9 | 176.4 | 0 | 112 | D97 E98 T105 | D97-K101 VanDerWaalsContact O-CB 3.22Å; D97-K101 WeakPolarHBondContact O-CB 3.26Å; D97-K101 PolarHBondContact O-N 2.82Å; E98-K101 PolarHBondContact O-N 3.37Å; K101-T105 WeakPolarHBondContact O-CB 3.44Å; K101-T105 PolarHBondContact O-N 2.85Å; K101-T105 PolarHBondContact O-OG1 3.36Å |
| 102 | N | 93.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -52.3 | 175 | -177.2 | -49.2 | 0 | 0 | 0 | 110.8 | L72 Y76 E98 M99 V100 K104 T105 Q106 | L72-N102 PolarHBondContact O-ND2 2.9Å; L72-N102 PolarHBondContact O-OD1 2.9Å; L72-N102 VanDerWaalsContact O-OD1 3.13Å; Y76-N102 PolarHBondContact N-ND2 3.08Å; E98-N102 WeakPolarHBondContact O-CB 3.4Å; E98-N102 PolarHBondContact O-N 2.88Å; M99-N102 WeakPolarHBondContact O-CB 3.29Å; M99-N102 PolarHBondContact O-N 3.39Å; V100-N102 VanDerWaalsContact C-N 3.33Å; V100-N102 PolarHBondContact O-N 3.46Å; N102-K104 PolarHBondContact O-N 3.39Å; N102-T105 CarbonylContact O-C 3.58Å; N102-T105 WeakPolarHBondContact O-CA 3.31Å; N102-T105 WeakPolarHBondContact O-CB 3.47Å; N102-T105 PolarHBondContact O-N 3.3Å; N102-Q106 PolarHBondContact O-N 3.48Å; N102-Q106 PolarHBondContact OD1-NE2 3.05Å |
| 103 | L | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -43.3 | 177.8 | -74.2 | 176.3 | 0 | 0 | 0 | 112.6 | I35 Y76 M99 V100 T105 Q106 N107 N138 A141 I142 | I35-L103 HydrophobicContact CD1-CD2 3.45Å; I35-L103 VanDerWaalsContact CD1-CD2 3.45Å; I35-L103 HydrophobicContact CG1-CD2 4.38Å; Y76-L103 HydrophobicContact CD2-CD1 4.35Å; Y76-L103 HydrophobicContact CD2-CD2 4.19Å; Y76-L103 HydrophobicContact CD2-CG 3.91Å; Y76-L103 HydrophobicContact CE2-CD1 3.54Å; Y76-L103 HydrophobicContact CE2-CD2 4.03Å; Y76-L103 HydrophobicContact CE2-CG 3.61Å; M99-L103 WeakPolarHBondContact O-CG 3.3Å; M99-L103 PolarHBondContact O-N 3.34Å; V100-L103 PolarHBondContact O-N 2.89Å; L103-T105 VanDerWaalsContact C-N 3.26Å; L103-T105 PolarHBondContact O-N 2.97Å; L103-Q106 WeakPolarHBondContact O-CB 3.46Å; L103-Q106 PolarHBondContact O-N 3.5Å; L103-Q106 VanDerWaalsContact O-N 3.14Å; L103-N107 PolarHBondContact O-N 2.91Å; L103-N138 HydrophobicContact CD2-CB 4.04Å; L103-A141 HydrophobicContact CD1-CB 3.81Å; L103-I142 HydrophobicContact CB-CD1 3.74Å; L103-I142 HydrophobicContact CB-CG1 3.61Å; L103-I142 HydrophobicContact CD1-CG1 3.61Å; L103-I142 HydrophobicContact CG-CG1 4.25Å |
| 104 | K | 95.8 | Very high | 93.5 | Very high | 114 Ų | 114 | 45 Ų | 45 | 50% | 0.496 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -37.3 | 173.5 | -74.1 | 173.3 | -179.7 | 164.6 | 0 | 111.8 | V100 N102 N107 A108 I142 | V100-K104 HydrophobicContact CG1-CD 3.92Å; V100-K104 VanDerWaalsContact CG1-CE 3.48Å; V100-K104 HydrophobicContact CG1-CG 4.49Å; V100-K104 VanDerWaalsContact CG1-NZ 3.32Å; V100-K104 WeakPolarHBondContact O-CB 3.21Å; V100-K104 VanDerWaalsContact O-CG 3.32Å; V100-K104 WeakPolarHBondContact O-CG 3.45Å; V100-K104 PolarHBondContact O-N 3.04Å; N102-K104 PolarHBondContact O-N 3.39Å; K104-N107 PolarHBondContact O-N 3.46Å; K104-A108 PolarHBondContact O-N 2.9Å; K104-I142 HydrophobicContact CG-CD1 3.89Å |
| 105 | T | 96.2 | Very high | 93.9 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 36% | 0.356 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.2 | -38.1 | 175.7 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | L72 K101 N102 L103 N107 A108 N109 | L72-T105 HydrophobicContact CD1-CG2 3.74Å; L72-T105 HydrophobicContact CD2-CG2 4.21Å; K101-T105 WeakPolarHBondContact O-CB 3.44Å; K101-T105 PolarHBondContact O-N 2.85Å; K101-T105 PolarHBondContact O-OG1 3.36Å; N102-T105 CarbonylContact O-C 3.58Å; N102-T105 WeakPolarHBondContact O-CA 3.31Å; N102-T105 WeakPolarHBondContact O-CB 3.47Å; N102-T105 PolarHBondContact O-N 3.3Å; L103-T105 VanDerWaalsContact C-N 3.26Å; L103-T105 PolarHBondContact O-N 2.97Å; T105-N107 VanDerWaalsContact C-N 3.35Å; T105-A108 PolarHBondContact O-N 3.18Å; T105-N109 PolarHBondContact O-N 3.46Å; T105-N109 VanDerWaalsContact O-N 3.17Å; T105-N109 PolarHBondContact O-ND2 3.31Å |
| 106 | Q | 93.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 171.8 | -67.1 | -176.9 | 52.6 | 0 | 0 | 110.9 | I69 L72 N102 L103 A108 N109 L110 | I69-Q106 HydrophobicContact CG2-CG 4.47Å; L72-Q106 HydrophobicContact CB-CG 3.63Å; L72-Q106 HydrophobicContact CD1-CG 3.83Å; L72-Q106 HydrophobicContact CG-CG 4.34Å; N102-Q106 PolarHBondContact O-N 3.48Å; N102-Q106 PolarHBondContact OD1-NE2 3.05Å; L103-Q106 WeakPolarHBondContact O-CB 3.46Å; L103-Q106 PolarHBondContact O-N 3.5Å; L103-Q106 VanDerWaalsContact O-N 3.14Å; Q106-A108 PolarHBondContact O-N 3.45Å; Q106-N109 WeakPolarHBondContact O-CB 3.4Å; Q106-N109 PolarHBondContact O-N 3.44Å; Q106-N109 VanDerWaalsContact O-N 3.14Å; Q106-L110 WeakPolarHBondContact O-CG 3.33Å; Q106-L110 PolarHBondContact O-N 3.25Å |
| 107 | N | 95.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 176.5 | -71.7 | -3.8 | 0 | 0 | 0 | 112.4 | L103 K104 T105 N109 L110 E111 N138 N139 | L103-N107 PolarHBondContact O-N 2.91Å; K104-N107 PolarHBondContact O-N 3.46Å; T105-N107 VanDerWaalsContact C-N 3.35Å; N107-N109 VanDerWaalsContact C-N 3.3Å; N107-N109 PolarHBondContact O-N 3.48Å; N107-L110 PolarHBondContact O-N 3.4Å; N107-L110 VanDerWaalsContact O-N 3.16Å; N107-E111 WeakPolarHBondContact O-CG 3.4Å; N107-E111 PolarHBondContact O-N 2.92Å; N107-N138 WeakPolarHBondContact OD1-CB 3.11Å; N107-N138 PolarHBondContact OD1-ND2 2.95Å; N107-N139 PolarHBondContact ND2-OD1 3.4Å |
| 108 | A | 97.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.8 | -35.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | K104 T105 Q106 S112 | K104-A108 PolarHBondContact O-N 2.9Å; T105-A108 PolarHBondContact O-N 3.18Å; Q106-A108 PolarHBondContact O-N 3.45Å; A108-S112 PolarHBondContact O-N 2.94Å; A108-S112 VanDerWaalsContact O-N 3.16Å; A108-S112 PolarHBondContact O-OG 3.23Å |
| 109 | N | 95.6 | Very high | 95 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 173.4 | -78 | -85.8 | 0 | 0 | 0 | 111.4 | H65 I69 T105 Q106 N107 S112 M113 | H65-N109 HydrophobicContact CB-CB 4.23Å; H65-N109 PolarHBondContact ND1-OD1 2.89Å; I69-N109 HydrophobicContact CD1-CB 3.75Å; I69-N109 HydrophobicContact CG1-CB 3.66Å; T105-N109 PolarHBondContact O-N 3.46Å; T105-N109 VanDerWaalsContact O-N 3.17Å; T105-N109 PolarHBondContact O-ND2 3.31Å; Q106-N109 WeakPolarHBondContact O-CB 3.4Å; Q106-N109 PolarHBondContact O-N 3.44Å; Q106-N109 VanDerWaalsContact O-N 3.14Å; N107-N109 VanDerWaalsContact C-N 3.3Å; N107-N109 PolarHBondContact O-N 3.48Å; N109-S112 WeakPolarHBondContact O-CB 3.25Å; N109-S112 PolarHBondContact O-N 3Å; N109-M113 VanDerWaalsContact O-CG 3.3Å; N109-M113 WeakPolarHBondContact O-CG 3.35Å; N109-M113 PolarHBondContact O-N 3.47Å |
| 110 | L | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 177.1 | -69.8 | 160.2 | 0 | 0 | 0 | 111.9 | I69 Q106 N107 S112 M113 I114 Y131 Q134 I135 | I69-L110 HydrophobicContact CD1-CD2 3.82Å; I69-L110 HydrophobicContact CD1-CG 3.8Å; Q106-L110 WeakPolarHBondContact O-CG 3.33Å; Q106-L110 PolarHBondContact O-N 3.25Å; N107-L110 PolarHBondContact O-N 3.4Å; N107-L110 VanDerWaalsContact O-N 3.16Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.21Å; L110-M113 HydrophobicContact CD2-SD 4.48Å; L110-M113 WeakPolarHBondContact O-CB 3.38Å; L110-M113 PolarHBondContact O-N 3.29Å; L110-M113 VanDerWaalsContact O-N 3.13Å; L110-I114 WeakPolarHBondContact O-CG1 3.48Å; L110-I114 PolarHBondContact O-N 3.36Å; L110-Y131 HydrophobicContact CD2-CD1 4.09Å; L110-Y131 HydrophobicContact CD2-CG 4.25Å; L110-Q134 HydrophobicContact CD1-CB 4.01Å; L110-Q134 HydrophobicContact CD1-CG 3.69Å; L110-Q134 HydrophobicContact CD2-CB 4.43Å; L110-I135 HydrophobicContact CB-CD1 3.81Å; L110-I135 HydrophobicContact CB-CG1 3.7Å; L110-I135 HydrophobicContact CD1-CG1 3.8Å; L110-I135 HydrophobicContact CG-CG1 4.37Å |
| 111 | E | 97.3 | Very high | 95 | Very high | 106 Ų | 106 | 51 Ų | 51 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 173.6 | -74 | -68.3 | 176.8 | 0 | 0 | 111.9 | N107 M113 I114 K115 I135 | N107-E111 WeakPolarHBondContact O-CG 3.4Å; N107-E111 PolarHBondContact O-N 2.92Å; E111-M113 VanDerWaalsContact C-N 3.34Å; E111-M113 PolarHBondContact O-N 3.34Å; E111-I114 PolarHBondContact O-N 2.87Å; E111-K115 PolarHBondContact O-N 2.86Å; E111-I135 HydrophobicContact CG-CD1 3.99Å |
| 112 | S | 97.2 | Very high | 94.7 | Very high | 53 Ų | 53 | 52.5 Ų | 52.5 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.5 | -38 | 174.9 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | H65 A108 N109 L110 K115 A116 | H65-S112 WeakPolarHBondContact NE2-CB 3.18Å; A108-S112 PolarHBondContact O-N 2.94Å; A108-S112 VanDerWaalsContact O-N 3.16Å; A108-S112 PolarHBondContact O-OG 3.23Å; N109-S112 WeakPolarHBondContact O-CB 3.25Å; N109-S112 PolarHBondContact O-N 3Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.21Å; S112-K115 PolarHBondContact O-N 3.1Å; S112-A116 WeakPolarHBondContact O-CB 3.27Å; S112-A116 PolarHBondContact O-N 3.07Å |
| 113 | M | 94.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 174.1 | -70.6 | 166.8 | 53.7 | 0 | 0 | 112.1 | I62 H65 Q66 I69 N109 L110 E111 A116 E117 Y131 | I62-M113 HydrophobicContact CG2-CE 4.14Å; I62-M113 HydrophobicContact CG2-CG 4.32Å; H65-M113 HydrophobicContact CB-CG 3.41Å; H65-M113 VanDerWaalsContact CB-CG 3.41Å; H65-M113 HydrophobicContact CB-SD 3.55Å; H65-M113 VanDerWaalsContact CB-SD 3.55Å; Q66-M113 HydrophobicContact CG-CE 3.52Å; Q66-M113 HydrophobicContact CG-SD 4.02Å; I69-M113 HydrophobicContact CD1-SD 3.66Å; N109-M113 VanDerWaalsContact O-CG 3.3Å; N109-M113 WeakPolarHBondContact O-CG 3.35Å; N109-M113 PolarHBondContact O-N 3.47Å; L110-M113 HydrophobicContact CD2-SD 4.48Å; L110-M113 WeakPolarHBondContact O-CB 3.38Å; L110-M113 PolarHBondContact O-N 3.29Å; L110-M113 VanDerWaalsContact O-N 3.13Å; E111-M113 VanDerWaalsContact C-N 3.34Å; E111-M113 PolarHBondContact O-N 3.34Å; M113-A116 PolarHBondContact O-N 2.71Å; M113-E117 WeakPolarHBondContact O-CB 3.32Å; M113-E117 PolarHBondContact O-N 3.15Å; M113-Y131 HydrophobicContact CB-CD2 3.89Å; M113-Y131 HydrophobicContact CB-CE2 3.76Å; M113-Y131 HydrophobicContact CE-CD1 3.85Å; M113-Y131 HydrophobicContact CE-CD2 4.28Å; M113-Y131 HydrophobicContact CE-CE1 3.32Å; M113-Y131 HydrophobicContact CE-CE2 3.78Å; M113-Y131 HydrophobicContact CE-CG 4.33Å |
| 114 | I | 96.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 174.7 | -70.5 | 167 | 0 | 0 | 0 | 110 | L110 E111 A116 E117 Q118 I128 Y131 R132 I135 | L110-I114 WeakPolarHBondContact O-CG1 3.48Å; L110-I114 PolarHBondContact O-N 3.36Å; E111-I114 PolarHBondContact O-N 2.87Å; I114-A116 PolarHBondContact O-N 3.09Å; I114-E117 PolarHBondContact O-N 3.28Å; I114-Q118 HydrophobicContact CG2-CG 4.47Å; I114-Q118 VanDerWaalsContact O-CG 3.29Å; I114-Q118 WeakPolarHBondContact O-CG 3.33Å; I114-Q118 PolarHBondContact O-N 2.87Å; I114-I128 HydrophobicContact CG1-CG2 4.43Å; I114-I128 HydrophobicContact CG2-CG2 4.07Å; I114-Y131 HydrophobicContact CG1-CD2 3.92Å; I114-Y131 HydrophobicContact CG1-CG 4.33Å; I114-R132 HydrophobicContact CD1-CG 3.9Å; I114-I135 HydrophobicContact CD1-CD1 3.81Å |
| 115 | K | 96.9 | Very high | 94.3 | Very high | 134 Ų | 134 | 57.5 Ų | 57.5 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 178.1 | -175.2 | 177.7 | 179.8 | 178.1 | 0 | 112.2 | E111 S112 E117 Q118 D119 | E111-K115 PolarHBondContact O-N 2.86Å; S112-K115 PolarHBondContact O-N 3.1Å; K115-E117 VanDerWaalsContact C-N 3.3Å; K115-E117 PolarHBondContact O-N 3.05Å; K115-Q118 PolarHBondContact O-N 3.07Å; K115-D119 WeakPolarHBondContact O-CB 3.42Å; K115-D119 PolarHBondContact O-N 3.2Å |
| 116 | A | 94.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L58 I62 S112 M113 I114 D119 | L58-A116 HydrophobicContact CD2-CB 4.25Å; I62-A116 HydrophobicContact CD1-CB 4.12Å; I62-A116 HydrophobicContact CG1-CB 3.73Å; S112-A116 WeakPolarHBondContact O-CB 3.27Å; S112-A116 PolarHBondContact O-N 3.07Å; M113-A116 PolarHBondContact O-N 2.71Å; I114-A116 PolarHBondContact O-N 3.09Å; A116-D119 PolarHBondContact O-N 3.2Å |
| 117 | E | 93.8 | Very high | 94 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.2 | -39.1 | 176.7 | -169.9 | 56.2 | -127.7 | 0 | 0 | 111.7 | I62 M113 I114 K115 D119 K120 D124 I128 | I62-E117 HydrophobicContact CD1-CB 4.21Å; I62-E117 WeakPolarHBondContact CD1-OE2 3.29Å; M113-E117 WeakPolarHBondContact O-CB 3.32Å; M113-E117 PolarHBondContact O-N 3.15Å; I114-E117 PolarHBondContact O-N 3.28Å; K115-E117 VanDerWaalsContact C-N 3.3Å; K115-E117 PolarHBondContact O-N 3.05Å; E117-D119 VanDerWaalsContact C-N 3.32Å; E117-D119 PolarHBondContact O-N 2.98Å; E117-K120 WeakPolarHBondContact O-CB 3.44Å; E117-K120 PolarHBondContact O-N 3.05Å; E117-K120 WeakPolarHBondContact OE1-CD 3.36Å; E117-K120 WeakPolarHBondContact OE1-CE 3.48Å; E117-K120 IonicContact OE1-NZ 2.73Å; E117-K120 PolarHBondContact OE1-NZ 3.45Å; E117-K120 WeakPolarHBondContact OE2-CD 3.37Å; E117-K120 IonicContact OE2-NZ 2.83Å; E117-K120 PolarHBondContact OE2-NZ 3.36Å; E117-D124 HydrophobicContact CG-CB 4.17Å; E117-D124 WeakPolarHBondContact OE1-CB 3.48Å; E117-D124 PolarHBondContact OE1-N 2.87Å; E117-I128 HydrophobicContact CB-CD1 4.33Å; E117-I128 HydrophobicContact CB-CG1 4.03Å; E117-I128 HydrophobicContact CG-CD1 4.13Å; E117-I128 HydrophobicContact CG-CG1 3.84Å |
| 118 | Q | 95.6 | Very high | 93.9 | Very high | 94 Ų | 94 | 63 Ų | 63 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -34 | 172.9 | -72.1 | 174 | -19.2 | 0 | 0 | 113 | I114 K115 K120 T123 I128 | I114-Q118 HydrophobicContact CG2-CG 4.47Å; I114-Q118 VanDerWaalsContact O-CG 3.29Å; I114-Q118 WeakPolarHBondContact O-CG 3.33Å; I114-Q118 PolarHBondContact O-N 2.87Å; K115-Q118 PolarHBondContact O-N 3.07Å; Q118-K120 VanDerWaalsContact C-N 3.29Å; Q118-K120 PolarHBondContact O-N 3.24Å; Q118-T123 PolarHBondContact O-OG1 3.1Å; Q118-I128 HydrophobicContact CG-CD1 3.58Å |
| 119 | D | 95.2 | Very high | 93.7 | Very high | 74 Ų | 74 | 64.3 Ų | 64.3 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.1 | -178.4 | -81 | -25.2 | 0 | 0 | 0 | 114.5 | K54 L58 K115 A116 E117 | K54-D119 PolarHBondContact NZ-O 3.46Å; L58-D119 VanDerWaalsContact CD1-C 3.5Å; L58-D119 HydrophobicContact CD1-CB 3.77Å; L58-D119 WeakPolarHBondContact CD1-O 3.49Å; L58-D119 HydrophobicContact CD2-CB 4.08Å; K115-D119 WeakPolarHBondContact O-CB 3.42Å; K115-D119 PolarHBondContact O-N 3.2Å; A116-D119 PolarHBondContact O-N 3.2Å; E117-D119 VanDerWaalsContact C-N 3.32Å; E117-D119 PolarHBondContact O-N 2.98Å |
| 120 | K | 91.7 | Very high | 93.4 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -71.3 | 151 | 176.5 | -73.8 | 165 | 66.8 | -168.2 | 0 | 110.9 | L58 I62 E117 Q118 K122 | L58-K120 HydrophobicContact CB-CG 4.06Å; L58-K120 HydrophobicContact CD1-CB 4.47Å; L58-K120 HydrophobicContact CD1-CG 3.81Å; I62-K120 HydrophobicContact CD1-CD 4.41Å; E117-K120 WeakPolarHBondContact O-CB 3.44Å; E117-K120 PolarHBondContact O-N 3.05Å; E117-K120 WeakPolarHBondContact OE1-CD 3.36Å; E117-K120 WeakPolarHBondContact OE1-CE 3.48Å; E117-K120 IonicContact OE1-NZ 2.73Å; E117-K120 PolarHBondContact OE1-NZ 3.45Å; E117-K120 WeakPolarHBondContact OE2-CD 3.37Å; E117-K120 IonicContact OE2-NZ 2.83Å; E117-K120 PolarHBondContact OE2-NZ 3.36Å; Q118-K120 VanDerWaalsContact C-N 3.29Å; Q118-K120 PolarHBondContact O-N 3.24Å; K120-K122 PolarHBondContact O-N 3.43Å |
| 121 | K | 89 | Confident | 93.3 | Very high | 168 Ų | 168 | 65.9 Ų | 65.9 | 73% | 0.73 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -58.2 | -34.1 | 174.6 | -71.4 | -174.4 | 175.5 | -171.8 | 0 | 113.7 | D55 | D55-K121 PolarHBondContact OD1-N 3.09Å; D55-K121 VanDerWaalsContact OD1-N 3.09Å |
| 122 | K | 89.7 | Confident | 93.1 | Very high | 170 Ų | 170 | 67 Ų | 67 | 74% | 0.739 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -121.6 | 98.5 | 172.7 | -67.4 | -172.8 | 178.9 | -173.2 | 0 | 107.7 | K120 | K120-K122 PolarHBondContact O-N 3.43Š|
| 123 | T | 91.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 70 Ų | 70 | 36% | 0.362 | 33% | 0.329 | S | S | . | . | trans | -69.5 | 130.5 | 175 | -54 | 0 | 0 | 0 | 0 | 110.3 | Q118 I128 | Q118-T123 PolarHBondContact O-OG1 3.1Å; T123-I128 HydrophobicContact CG2-CD1 3.4Å | ||
| 124 | D | 91.4 | Very high | 92.5 | Very high | 52 Ų | 52 | 70.2 Ų | 70.2 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | trans | -93.6 | 94.4 | 173.1 | -167.8 | -23.1 | 0 | 0 | 0 | 109.7 | E117 D126 K127 I128 | E117-D124 HydrophobicContact CG-CB 4.17Å; E117-D124 WeakPolarHBondContact OE1-CB 3.48Å; E117-D124 PolarHBondContact OE1-N 2.87Å; D124-D126 VanDerWaalsContact C-N 3.26Å; D124-D126 PolarHBondContact O-N 2.98Å; D124-D126 PolarHBondContact OD1-N 3.26Å; D124-K127 HydrophobicContact CB-CB 4.23Å; D124-K127 HydrophobicContact CB-CD 4.07Å; D124-K127 HydrophobicContact CB-CG 4.27Å; D124-K127 PolarHBondContact O-N 2.99Å; D124-K127 PolarHBondContact OD1-N 2.91Å; D124-K127 VanDerWaalsContact OD2-CD 3.23Å; D124-K127 WeakPolarHBondContact OD2-CD 3.37Å; D124-K127 WeakPolarHBondContact OD2-CE 3.36Å; D124-K127 WeakPolarHBondContact OD2-CG 3.43Å; D124-K127 IonicContact OD2-NZ 4Å; D124-K127 PolarHBondContact OD2-NZ 3Å; D124-I128 PolarHBondContact O-N 2.91Å | ||
| 125 | N | 93.1 | Very high | 92.3 | Very high | 115 Ų | 115 | 70.8 Ų | 70.8 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.2 | -28.6 | -177 | -72.6 | -36.8 | 0 | 0 | 0 | 112.7 | K127 I128 E129 | N125-K127 VanDerWaalsContact C-N 3.34Å; N125-I128 PolarHBondContact O-N 3.11Å; N125-E129 WeakPolarHBondContact O-CB 3.49Å; N125-E129 PolarHBondContact O-N 3.23Å |
| 126 | D | 92.4 | Very high | 92.1 | Very high | 133 Ų | 133 | 71.2 Ų | 71.2 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.6 | -39 | 179.4 | -65.4 | -21.6 | 0 | 0 | 0 | 110.4 | D124 E129 E130 | D124-D126 VanDerWaalsContact C-N 3.26Å; D124-D126 PolarHBondContact O-N 2.98Å; D124-D126 PolarHBondContact OD1-N 3.26Å; D126-E129 PolarHBondContact O-N 2.66Å; D126-E130 PolarHBondContact O-N 3.47Å |
| 127 | K | 90.2 | Very high | 91.8 | Very high | 49 Ų | 49 | 73.5 Ų | 73.5 | 21% | 0.213 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 172.2 | -74.2 | -178.3 | -176.7 | 165.8 | 0 | 112.9 | D124 N125 E129 E130 Y131 | D124-K127 HydrophobicContact CB-CB 4.23Å; D124-K127 HydrophobicContact CB-CD 4.07Å; D124-K127 HydrophobicContact CB-CG 4.27Å; D124-K127 PolarHBondContact O-N 2.99Å; D124-K127 PolarHBondContact OD1-N 2.91Å; D124-K127 VanDerWaalsContact OD2-CD 3.23Å; D124-K127 WeakPolarHBondContact OD2-CD 3.37Å; D124-K127 WeakPolarHBondContact OD2-CE 3.36Å; D124-K127 WeakPolarHBondContact OD2-CG 3.43Å; D124-K127 IonicContact OD2-NZ 4Å; D124-K127 PolarHBondContact OD2-NZ 3Å; N125-K127 VanDerWaalsContact C-N 3.34Å; K127-E129 VanDerWaalsContact C-N 3.26Å; K127-E129 PolarHBondContact O-N 3.04Å; K127-E130 WeakPolarHBondContact O-CB 3.31Å; K127-E130 PolarHBondContact O-N 3.26Å; K127-Y131 HydrophobicContact CB-CE2 4.24Å; K127-Y131 WeakPolarHBondContact O-CD1 3.39Å; K127-Y131 WeakPolarHBondContact O-CD2 3.4Å; K127-Y131 PolarHBondContact O-N 3.3Å |
| 128 | I | 93.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.1 | -70 | 169.9 | 0 | 0 | 0 | 110.1 | I114 E117 Q118 T123 D124 N125 Y131 R132 | I114-I128 HydrophobicContact CG1-CG2 4.43Å; I114-I128 HydrophobicContact CG2-CG2 4.07Å; E117-I128 HydrophobicContact CB-CD1 4.33Å; E117-I128 HydrophobicContact CB-CG1 4.03Å; E117-I128 HydrophobicContact CG-CD1 4.13Å; E117-I128 HydrophobicContact CG-CG1 3.84Å; Q118-I128 HydrophobicContact CG-CD1 3.58Å; T123-I128 HydrophobicContact CG2-CD1 3.4Å; D124-I128 PolarHBondContact O-N 2.91Å; N125-I128 PolarHBondContact O-N 3.11Å; I128-Y131 PolarHBondContact O-N 2.98Å; I128-R132 WeakPolarHBondContact O-CG 3.29Å; I128-R132 PolarHBondContact O-N 3.05Å |
| 129 | E | 92.7 | Very high | 91.5 | Very high | 83 Ų | 83 | 72.9 Ų | 72.9 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 176.6 | -175.9 | 58.1 | -159.7 | 0 | 0 | 112.1 | N125 D126 K127 Y131 R132 K133 | N125-E129 WeakPolarHBondContact O-CB 3.49Å; N125-E129 PolarHBondContact O-N 3.23Å; D126-E129 PolarHBondContact O-N 2.66Å; K127-E129 VanDerWaalsContact C-N 3.26Å; K127-E129 PolarHBondContact O-N 3.04Å; E129-Y131 PolarHBondContact O-N 3.43Å; E129-R132 PolarHBondContact O-N 2.63Å; E129-K133 WeakPolarHBondContact O-CG 3.47Å; E129-K133 PolarHBondContact O-N 3.28Å; E129-K133 VanDerWaalsContact OE1-CE 3.27Å; E129-K133 WeakPolarHBondContact OE1-CE 3.27Å |
| 130 | E | 89.8 | Confident | 91.2 | Very high | 51 Ų | 51 | 75.5 Ų | 75.5 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 173 | -171.3 | -176.4 | 172.3 | 0 | 0 | 111.8 | I38 D126 K127 R132 K133 Q134 | I38-E130 HydrophobicContact CG2-CG 4.28Å; I38-E130 WeakPolarHBondContact CG2-OE1 3.33Å; D126-E130 PolarHBondContact O-N 3.47Å; K127-E130 WeakPolarHBondContact O-CB 3.31Å; K127-E130 PolarHBondContact O-N 3.26Å; E130-R132 VanDerWaalsContact C-N 3.35Å; E130-R132 PolarHBondContact O-N 3.36Å; E130-K133 PolarHBondContact O-N 2.84Å; E130-Q134 PolarHBondContact O-N 3.29Å; E130-Q134 VanDerWaalsContact O-N 3.09Å |
| 131 | Y | 92.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 74.9 Ų | 74.9 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 177.6 | -58.1 | -20.7 | 0 | 0 | 0 | 111.9 | L110 M113 I114 K127 I128 E129 Q134 I135 | L110-Y131 HydrophobicContact CD2-CD1 4.09Å; L110-Y131 HydrophobicContact CD2-CG 4.25Å; M113-Y131 HydrophobicContact CB-CD2 3.89Å; M113-Y131 HydrophobicContact CB-CE2 3.76Å; M113-Y131 HydrophobicContact CE-CD1 3.85Å; M113-Y131 HydrophobicContact CE-CD2 4.28Å; M113-Y131 HydrophobicContact CE-CE1 3.32Å; M113-Y131 HydrophobicContact CE-CE2 3.78Å; M113-Y131 HydrophobicContact CE-CG 4.33Å; I114-Y131 HydrophobicContact CG1-CD2 3.92Å; I114-Y131 HydrophobicContact CG1-CG 4.33Å; K127-Y131 HydrophobicContact CB-CE2 4.24Å; K127-Y131 WeakPolarHBondContact O-CD1 3.39Å; K127-Y131 WeakPolarHBondContact O-CD2 3.4Å; K127-Y131 PolarHBondContact O-N 3.3Å; I128-Y131 PolarHBondContact O-N 2.98Å; E129-Y131 PolarHBondContact O-N 3.43Å; Y131-Q134 PolarHBondContact O-N 2.91Å; Y131-I135 WeakPolarHBondContact O-CG1 3.46Å; Y131-I135 PolarHBondContact O-N 3.01Å |
| 132 | R | 93.9 | Very high | 90.9 | Very high | 129 Ų | 129 | 67.5 Ų | 67.5 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.3 | -75.8 | 175.2 | 174.5 | 175.5 | -1.8 | 112.6 | I114 I128 E129 E130 Q134 I135 E136 | I114-R132 HydrophobicContact CD1-CG 3.9Å; I128-R132 WeakPolarHBondContact O-CG 3.29Å; I128-R132 PolarHBondContact O-N 3.05Å; E129-R132 PolarHBondContact O-N 2.63Å; E130-R132 VanDerWaalsContact C-N 3.35Å; E130-R132 PolarHBondContact O-N 3.36Å; R132-Q134 PolarHBondContact O-N 3.27Å; R132-I135 WeakPolarHBondContact O-CB 3.21Å; R132-I135 PolarHBondContact O-N 2.82Å; R132-I135 VanDerWaalsContact O-N 3.11Å; R132-E136 PolarHBondContact O-N 3.37Å |
| 133 | K | 91 | Very high | 90.8 | Very high | 118 Ų | 118 | 63.9 Ų | 63.9 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.4 | -35.3 | 174.3 | -75.2 | 177.6 | -179.8 | 173.8 | 0 | 111.9 | E129 E130 E136 A137 | E129-K133 WeakPolarHBondContact O-CG 3.47Å; E129-K133 PolarHBondContact O-N 3.28Å; E129-K133 VanDerWaalsContact OE1-CE 3.27Å; E129-K133 WeakPolarHBondContact OE1-CE 3.27Å; E130-K133 PolarHBondContact O-N 2.84Å; K133-E136 PolarHBondContact O-N 3.35Å; K133-A137 WeakPolarHBondContact O-CB 3.22Å; K133-A137 PolarHBondContact O-N 2.88Å |
| 134 | Q | 87.4 | Confident | 90.5 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.2 | -39.1 | 175.7 | -172.9 | 140.1 | 57.7 | 0 | 0 | 113.3 | I38 L110 E130 Y131 R132 E136 A137 N138 | I38-Q134 HydrophobicContact CD1-CB 4.25Å; L110-Q134 HydrophobicContact CD1-CB 4.01Å; L110-Q134 HydrophobicContact CD1-CG 3.69Å; L110-Q134 HydrophobicContact CD2-CB 4.43Å; E130-Q134 PolarHBondContact O-N 3.29Å; E130-Q134 VanDerWaalsContact O-N 3.09Å; Y131-Q134 PolarHBondContact O-N 2.91Å; R132-Q134 PolarHBondContact O-N 3.27Å; Q134-E136 VanDerWaalsContact C-N 3.29Å; Q134-E136 PolarHBondContact O-N 3.11Å; Q134-A137 PolarHBondContact O-N 2.97Å; Q134-N138 WeakPolarHBondContact O-CB 3.29Å; Q134-N138 VanDerWaalsContact O-CG 3.27Å; Q134-N138 PolarHBondContact O-N 2.8Å |
| 135 | I | 92.8 | Very high | 90.2 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 172.2 | -68.5 | 167.7 | 0 | 0 | 0 | 110.2 | L110 E111 I114 Y131 R132 N138 N139 | L110-I135 HydrophobicContact CB-CD1 3.81Å; L110-I135 HydrophobicContact CB-CG1 3.7Å; L110-I135 HydrophobicContact CD1-CG1 3.8Å; L110-I135 HydrophobicContact CG-CG1 4.37Å; E111-I135 HydrophobicContact CG-CD1 3.99Å; I114-I135 HydrophobicContact CD1-CD1 3.81Å; Y131-I135 WeakPolarHBondContact O-CG1 3.46Å; Y131-I135 PolarHBondContact O-N 3.01Å; R132-I135 WeakPolarHBondContact O-CB 3.21Å; R132-I135 PolarHBondContact O-N 2.82Å; R132-I135 VanDerWaalsContact O-N 3.11Å; I135-N138 PolarHBondContact O-N 3.49Å; I135-N139 WeakPolarHBondContact O-CB 3.3Å; I135-N139 PolarHBondContact O-N 2.96Å; I135-N139 PolarHBondContact O-ND2 3.38Å |
| 136 | E | 91.5 | Very high | 89.8 | Confident | 142 Ų | 142 | 59.9 Ų | 59.9 | 66% | 0.664 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | 176.1 | -172.9 | -179.1 | -179.1 | 0 | 0 | 112 | R132 K133 Q134 N138 N139 K140 | R132-E136 PolarHBondContact O-N 3.37Å; K133-E136 PolarHBondContact O-N 3.35Å; Q134-E136 VanDerWaalsContact C-N 3.29Å; Q134-E136 PolarHBondContact O-N 3.11Å; E136-N138 PolarHBondContact O-N 2.83Å; E136-N139 PolarHBondContact O-N 3.3Å; E136-K140 PolarHBondContact O-N 3.2Å |
| 137 | A | 89.3 | Confident | 89.4 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 44% | 0.438 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K133 Q134 K140 A141 | K133-A137 WeakPolarHBondContact O-CB 3.22Å; K133-A137 PolarHBondContact O-N 2.88Å; Q134-A137 PolarHBondContact O-N 2.97Å; A137-K140 PolarHBondContact O-N 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.46Å; A137-A141 PolarHBondContact O-N 3.21Å |
| 138 | N | 90 | Very high | 88.8 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.3 | -74.4 | -6.4 | 0 | 0 | 0 | 111.6 | L103 N107 Q134 I135 E136 A141 I142 | L103-N138 HydrophobicContact CD2-CB 4.04Å; N107-N138 WeakPolarHBondContact OD1-CB 3.11Å; N107-N138 PolarHBondContact OD1-ND2 2.95Å; Q134-N138 WeakPolarHBondContact O-CB 3.29Å; Q134-N138 VanDerWaalsContact O-CG 3.27Å; Q134-N138 PolarHBondContact O-N 2.8Å; I135-N138 PolarHBondContact O-N 3.49Å; E136-N138 PolarHBondContact O-N 2.83Å; N138-A141 PolarHBondContact O-N 3.1Å; N138-I142 VanDerWaalsContact O-CG1 3.3Å; N138-I142 WeakPolarHBondContact O-CG1 3.3Å; N138-I142 PolarHBondContact O-N 3.08Å |
| 139 | N | 93.1 | Very high | 88.2 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.9 | -72.4 | -20.5 | 0 | 0 | 0 | 111.7 | N107 I135 E136 I142 E143 | N107-N139 PolarHBondContact ND2-OD1 3.4Å; I135-N139 WeakPolarHBondContact O-CB 3.3Å; I135-N139 PolarHBondContact O-N 2.96Å; I135-N139 PolarHBondContact O-ND2 3.38Å; E136-N139 PolarHBondContact O-N 3.3Å; N139-I142 PolarHBondContact O-N 3.2Å; N139-E143 PolarHBondContact O-N 3.17Å |
| 140 | K | 89.1 | Confident | 87.6 | Confident | 128 Ų | 128 | 53.6 Ų | 53.6 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 173.3 | -176.3 | 176.9 | 173.8 | -177.9 | 0 | 111.8 | E136 A137 I142 E143 E144 | E136-K140 PolarHBondContact O-N 3.2Å; A137-K140 PolarHBondContact O-N 3.3Å; K140-I142 VanDerWaalsContact C-N 3.35Å; K140-I142 PolarHBondContact O-N 2.94Å; K140-E143 PolarHBondContact O-N 2.91Å; K140-E144 WeakPolarHBondContact CE-OE1 3.47Å; K140-E144 IonicContact NZ-OE1 3.43Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 2.93Å |
| 141 | A | 85.9 | Confident | 86.9 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L103 A137 N138 A145 | L103-A141 HydrophobicContact CD1-CB 3.81Å; A137-A141 WeakPolarHBondContact O-CB 3.46Å; A137-A141 PolarHBondContact O-N 3.21Å; N138-A141 PolarHBondContact O-N 3.1Å; A141-A145 VanDerWaalsContact O-CB 3.24Å; A141-A145 WeakPolarHBondContact O-CB 3.34Å; A141-A145 PolarHBondContact O-N 3.44Å |
| 142 | I | 88.5 | Confident | 85.9 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 171 | -70.9 | 164.7 | 0 | 0 | 0 | 110 | V100 L103 K104 N138 N139 K140 E144 A145 E146 | V100-I142 HydrophobicContact CG1-CG2 4Å; V100-I142 HydrophobicContact CG2-CG2 4.25Å; L103-I142 HydrophobicContact CB-CD1 3.74Å; L103-I142 HydrophobicContact CB-CG1 3.61Å; L103-I142 HydrophobicContact CD1-CG1 3.61Å; L103-I142 HydrophobicContact CG-CG1 4.25Å; K104-I142 HydrophobicContact CG-CD1 3.89Å; N138-I142 VanDerWaalsContact O-CG1 3.3Å; N138-I142 WeakPolarHBondContact O-CG1 3.3Å; N138-I142 PolarHBondContact O-N 3.08Å; N139-I142 PolarHBondContact O-N 3.2Å; K140-I142 VanDerWaalsContact C-N 3.35Å; K140-I142 PolarHBondContact O-N 2.94Å; I142-E144 PolarHBondContact O-N 2.89Å; I142-A145 PolarHBondContact O-N 3.11Å; I142-E146 HydrophobicContact CG2-CG 4.39Å; I142-E146 WeakPolarHBondContact O-CG 3.43Å; I142-E146 PolarHBondContact O-N 3.35Å |
| 143 | E | 87.4 | Confident | 84.9 | Confident | 94 Ų | 94 | 52.1 Ų | 52.1 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.2 | -49 | 179.1 | -178 | -179.5 | 179.5 | 0 | 0 | 110.8 | N139 K140 A145 E146 Q147 | N139-E143 PolarHBondContact O-N 3.17Å; K140-E143 PolarHBondContact O-N 2.91Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 2.92Å; E143-E146 PolarHBondContact O-N 3.26Å; E143-Q147 HydrophobicContact CG-CG 4.25Å; E143-Q147 VanDerWaalsContact CG-NE2 3.35Å; E143-Q147 WeakPolarHBondContact O-CB 3.43Å; E143-Q147 WeakPolarHBondContact O-CG 3.41Å; E143-Q147 PolarHBondContact O-N 3Å; E143-Q147 PolarHBondContact OE1-NE2 3.48Å |
| 144 | E | 85.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 177.7 | -71 | 176.2 | 179.3 | 0 | 0 | 112.3 | V31 K140 I142 S148 | V31-E144 HydrophobicContact CG1-CB 3.64Å; V31-E144 WeakPolarHBondContact CG1-OE2 3.26Å; V31-E144 HydrophobicContact CG2-CB 4.3Å; V31-E144 VanDerWaalsContact CG2-O 3.29Å; V31-E144 WeakPolarHBondContact CG2-O 3.48Å; K140-E144 WeakPolarHBondContact CE-OE1 3.47Å; K140-E144 IonicContact NZ-OE1 3.43Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 2.93Å; I142-E144 PolarHBondContact O-N 2.89Å; E144-S148 WeakPolarHBondContact O-CB 3.44Å; E144-S148 PolarHBondContact O-N 3.43Å |
| 145 | A | 83.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | N96 V100 A141 I142 E143 S148 L149 | N96-A145 PolarHBondContact ND2-O 3Å; V100-A145 HydrophobicContact CG2-CB 4.34Å; A141-A145 VanDerWaalsContact O-CB 3.24Å; A141-A145 WeakPolarHBondContact O-CB 3.34Å; A141-A145 PolarHBondContact O-N 3.44Å; I142-A145 PolarHBondContact O-N 3.11Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 2.92Å; A145-S148 PolarHBondContact O-N 2.81Å; A145-L149 WeakPolarHBondContact O-CB 3.41Å; A145-L149 PolarHBondContact O-N 2.91Å |
| 146 | E | 85.8 | Confident | 82.3 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 178.7 | -69.6 | 175.4 | 173.2 | 0 | 0 | 111.4 | V100 I142 E143 T150 | V100-E146 HydrophobicContact CG2-CG 4.09Å; I142-E146 HydrophobicContact CG2-CG 4.39Å; I142-E146 WeakPolarHBondContact O-CG 3.43Å; I142-E146 PolarHBondContact O-N 3.35Å; E143-E146 PolarHBondContact O-N 3.26Å; E146-T150 WeakPolarHBondContact O-CB 3.19Å; E146-T150 PolarHBondContact O-N 3.33Å; E146-T150 PolarHBondContact O-OG1 3.47Å |
| 147 | Q | 83.9 | Confident | 81.4 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -46 | 175.9 | -70.3 | 179.2 | -9.2 | 0 | 0 | 111.7 | E143 T150 E151 G157 T158 | E143-Q147 HydrophobicContact CG-CG 4.25Å; E143-Q147 VanDerWaalsContact CG-NE2 3.35Å; E143-Q147 WeakPolarHBondContact O-CB 3.43Å; E143-Q147 WeakPolarHBondContact O-CG 3.41Å; E143-Q147 PolarHBondContact O-N 3Å; E143-Q147 PolarHBondContact OE1-NE2 3.48Å; Q147-T150 WeakPolarHBondContact O-CB 3.36Å; Q147-T150 PolarHBondContact O-N 3.42Å; Q147-E151 PolarHBondContact O-N 3.4Å; Q147-G157 VanDerWaalsContact CG-O 3.26Å; Q147-G157 WeakPolarHBondContact CG-O 3.31Å; Q147-T158 HydrophobicContact CB-CG2 4.19Å |
| 148 | S | 78.7 | Confident | 80.9 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | E144 A145 T150 E151 Q152 | E144-S148 WeakPolarHBondContact O-CB 3.44Å; E144-S148 PolarHBondContact O-N 3.43Å; A145-S148 PolarHBondContact O-N 2.81Å; S148-T150 VanDerWaalsContact C-N 3.31Å; S148-T150 PolarHBondContact O-N 3.31Å; S148-E151 PolarHBondContact O-N 3.28Å; S148-Q152 WeakPolarHBondContact O-CB 3.39Å; S148-Q152 VanDerWaalsContact O-CG 3.24Å; S148-Q152 WeakPolarHBondContact O-CG 3.35Å; S148-Q152 PolarHBondContact O-N 3.13Å; S148-Q152 PolarHBondContact OG-NE2 3.1Å; S148-Q152 VanDerWaalsContact OG-NE2 3.13Å |
| 149 | L | 80.2 | Confident | 80.5 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 172.4 | 177.7 | 66.3 | 0 | 0 | 0 | 110.7 | L92 A93 N96 A145 E151 Q152 L153 | L92-L149 HydrophobicContact CD2-CD1 3.84Å; L92-L149 HydrophobicContact CG-CD1 3.92Å; A93-L149 HydrophobicContact CB-CD1 4.16Å; A93-L149 HydrophobicContact CB-CD2 4.46Å; N96-L149 HydrophobicContact CB-CB 4.36Å; N96-L149 HydrophobicContact CB-CD1 4.35Å; N96-L149 HydrophobicContact CB-CD2 3.88Å; N96-L149 HydrophobicContact CB-CG 4.42Å; A145-L149 WeakPolarHBondContact O-CB 3.41Å; A145-L149 PolarHBondContact O-N 2.91Å; L149-E151 VanDerWaalsContact C-N 3.33Å; L149-E151 PolarHBondContact O-N 2.67Å; L149-Q152 PolarHBondContact O-N 2.85Å; L149-L153 HydrophobicContact CD1-CD1 3.95Å; L149-L153 HydrophobicContact CD1-CG 3.96Å; L149-L153 HydrophobicContact CD2-CD1 4.29Å; L149-L153 HydrophobicContact CG-CD1 3.8Å; L149-L153 HydrophobicContact CG-CG 4.17Å; L149-L153 VanDerWaalsContact O-CB 3.31Å; L149-L153 WeakPolarHBondContact O-CB 3.34Å; L149-L153 VanDerWaalsContact O-CG 3.23Å; L149-L153 WeakPolarHBondContact O-CG 3.03Å; L149-L153 PolarHBondContact O-N 3.07Å |
| 150 | T | 79.1 | Confident | 79.8 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | E146 Q147 S148 L153 G154 G155 | E146-T150 WeakPolarHBondContact O-CB 3.19Å; E146-T150 PolarHBondContact O-N 3.33Å; E146-T150 PolarHBondContact O-OG1 3.47Å; Q147-T150 WeakPolarHBondContact O-CB 3.36Å; Q147-T150 PolarHBondContact O-N 3.42Å; S148-T150 VanDerWaalsContact C-N 3.31Å; S148-T150 PolarHBondContact O-N 3.31Å; T150-L153 CarbonylContact O-C 3.59Å; T150-L153 PolarHBondContact O-N 2.85Å; T150-G154 PolarHBondContact O-N 3.33Å; T150-G154 VanDerWaalsContact O-N 3.12Å; T150-G155 WeakPolarHBondContact O-CA 3.5Å; T150-G155 PolarHBondContact O-N 3.03Å |
| 151 | E | 75.5 | Confident | 79.3 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 32% | 0.318 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 175.8 | -76.3 | 173 | -171.6 | 0 | 0 | 113 | Q147 S148 L149 G154 G155 F156 T158 N161 | Q147-E151 PolarHBondContact O-N 3.4Å; S148-E151 PolarHBondContact O-N 3.28Å; L149-E151 VanDerWaalsContact C-N 3.33Å; L149-E151 PolarHBondContact O-N 2.67Å; E151-G154 WeakPolarHBondContact O-CA 3.41Å; E151-G154 PolarHBondContact O-N 3.12Å; E151-G155 WeakPolarHBondContact CA-O 3.29Å; E151-F156 VanDerWaalsContact CG-O 3.27Å; E151-F156 WeakPolarHBondContact CG-O 3.35Å; E151-T158 WeakPolarHBondContact OE1-CB 2.81Å; E151-T158 WeakPolarHBondContact OE1-CG2 3.1Å; E151-T158 PolarHBondContact OE1-N 3.32Å; E151-T158 PolarHBondContact OE1-OG1 2.91Å; E151-N161 VanDerWaalsContact CD-ND2 3.25Å; E151-N161 PolarHBondContact OE1-ND2 3.44Å |
| 152 | Q | 71.8 | Confident | 79 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.9 | -31.5 | 179.3 | -67.9 | 177.8 | 33.3 | 0 | 0 | 112.5 | F28 S29 L92 S148 L149 G154 | F28-Q152 HydrophobicContact CD1-CB 4.09Å; F28-Q152 HydrophobicContact CD1-CG 4.07Å; F28-Q152 HydrophobicContact CE1-CB 4.44Å; S29-Q152 PolarHBondContact O-NE2 3.03Å; L92-Q152 HydrophobicContact CD2-CB 3.76Å; L92-Q152 HydrophobicContact CD2-CG 4.49Å; S148-Q152 WeakPolarHBondContact O-CB 3.39Å; S148-Q152 VanDerWaalsContact O-CG 3.24Å; S148-Q152 WeakPolarHBondContact O-CG 3.35Å; S148-Q152 PolarHBondContact O-N 3.13Å; S148-Q152 PolarHBondContact OG-NE2 3.1Å; S148-Q152 VanDerWaalsContact OG-NE2 3.13Å; L149-Q152 PolarHBondContact O-N 2.85Å; Q152-G154 PolarHBondContact O-N 3.45Å |
| 153 | L | 72 | Confident | 78.7 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 9.3 | 164.4 | -63.9 | -179.4 | 0 | 0 | 0 | 112.2 | I89 L149 T150 G155 Q202 | I89-L153 HydrophobicContact CG2-CD2 3.21Å; L149-L153 HydrophobicContact CD1-CD1 3.95Å; L149-L153 HydrophobicContact CD1-CG 3.96Å; L149-L153 HydrophobicContact CD2-CD1 4.29Å; L149-L153 HydrophobicContact CG-CD1 3.8Å; L149-L153 HydrophobicContact CG-CG 4.17Å; L149-L153 VanDerWaalsContact O-CB 3.31Å; L149-L153 WeakPolarHBondContact O-CB 3.34Å; L149-L153 VanDerWaalsContact O-CG 3.23Å; L149-L153 WeakPolarHBondContact O-CG 3.03Å; L149-L153 PolarHBondContact O-N 3.07Å; T150-L153 CarbonylContact O-C 3.59Å; T150-L153 PolarHBondContact O-N 2.85Å; L153-G155 VanDerWaalsContact C-N 3.32Å; L153-G155 PolarHBondContact O-N 2.94Å; L153-Q202 PolarHBondContact O-NE2 2.84Å; L153-Q202 PolarHBondContact O-OE1 3.2Å |
| 154 | G | 69.9 | Low | 78.5 | Confident | 19 Ų | 19 | 56 Ų | 56 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -3.3 | 174 | 0 | 0 | 0 | 0 | 0 | 116.1 | T150 E151 Q152 M198 Q202 | T150-G154 PolarHBondContact O-N 3.33Å; T150-G154 VanDerWaalsContact O-N 3.12Å; E151-G154 WeakPolarHBondContact O-CA 3.41Å; E151-G154 PolarHBondContact O-N 3.12Å; Q152-G154 PolarHBondContact O-N 3.45Å; G154-M198 VanDerWaalsContact C-CE 3.44Å; G154-M198 WeakPolarHBondContact O-CE 3.46Å; G154-M198 WeakPolarHBondContact O-CG 3.5Å; G154-Q202 VanDerWaalsContact CA-NE2 3.34Å |
| 155 | G | 71.7 | Confident | 78.3 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -64.1 | 173.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T150 E151 L153 G157 | T150-G155 WeakPolarHBondContact O-CA 3.5Å; T150-G155 PolarHBondContact O-N 3.03Å; E151-G155 WeakPolarHBondContact CA-O 3.29Å; L153-G155 VanDerWaalsContact C-N 3.32Å; L153-G155 PolarHBondContact O-N 2.94Å; G155-G157 PolarHBondContact O-N 3.3Å |
| 156 | F | 76.4 | Confident | 78.3 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | trans | -69.2 | -35.1 | 179.6 | -63.6 | -82.3 | 0 | 0 | 0 | 112.6 | E151 T158 N161 Y162 A165 Y194 | E151-F156 VanDerWaalsContact CG-O 3.27Å; E151-F156 WeakPolarHBondContact CG-O 3.35Å; F156-T158 PolarHBondContact O-N 3.01Å; F156-N161 HydrophobicContact CB-CB 4.2Å; F156-N161 HydrophobicContact CD1-CB 4.46Å; F156-N161 WeakPolarHBondContact O-CB 3.37Å; F156-N161 PolarHBondContact O-ND2 3.14Å; F156-Y162 HydrophobicContact CB-CD1 3.9Å; F156-Y162 HydrophobicContact CB-CD2 3.81Å; F156-Y162 HydrophobicContact CB-CE1 3.7Å; F156-Y162 HydrophobicContact CB-CE2 3.58Å; F156-Y162 HydrophobicContact CB-CG 3.95Å; F156-Y162 HydrophobicContact CD1-CD1 4.41Å; F156-Y162 AromaticContact CD2-CD1 3.84Å; F156-Y162 HydrophobicContact CD2-CD1 3.84Å; F156-Y162 AromaticContact CD2-CE1 3.38Å; F156-Y162 HydrophobicContact CD2-CE1 3.38Å; F156-Y162 AromaticContact CD2-CZ 3.9Å; F156-Y162 HydrophobicContact CE2-CE1 4.19Å; F156-Y162 AromaticContact CG-CD1 3.79Å; F156-Y162 HydrophobicContact CG-CD1 3.79Å; F156-Y162 AromaticContact CG-CE1 3.68Å; F156-Y162 HydrophobicContact CG-CE1 3.68Å; F156-Y162 HydrophobicContact CG-CE2 4.46Å; F156-Y162 HydrophobicContact CG-CG 4.24Å; F156-A165 HydrophobicContact CD1-CB 4.13Å; F156-A165 HydrophobicContact CE1-CB 3.46Å; F156-A165 VanDerWaalsContact CE1-CB 3.46Å; F156-A165 HydrophobicContact CZ-CB 4.3Å; F156-Y194 HydrophobicContact CD1-CE1 4.39Å; F156-Y194 WeakPolarHBondContact CD1-OH 3.47Å; F156-Y194 HydrophobicContact CE1-CD1 4.49Å; F156-Y194 AromaticContact CE1-CE1 3.41Å; F156-Y194 HydrophobicContact CE1-CE1 3.41Å; F156-Y194 VanDerWaalsContact CE1-CE1 3.41Å; F156-Y194 AromaticContact CE1-CZ 3.5Å; F156-Y194 VanDerWaalsContact CE1-CZ 3.5Å; F156-Y194 WeakPolarHBondContact CE1-OH 3.48Å; F156-Y194 HydrophobicContact CZ-CD1 4.37Å; F156-Y194 AromaticContact CZ-CE1 3.58Å; F156-Y194 HydrophobicContact CZ-CE1 3.58Å | ||
| 157 | G | 72.6 | Confident | 78.4 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | trans | 62.2 | -59.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q147 G155 | Q147-G157 VanDerWaalsContact CG-O 3.26Å; Q147-G157 WeakPolarHBondContact CG-O 3.31Å; G155-G157 PolarHBondContact O-N 3.3Å | ||
| 158 | T | 78.3 | Confident | 78.6 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -99.4 | 149.8 | -178.9 | 55 | 0 | 0 | 0 | 0 | 113.5 | Q147 E151 F156 A160 N161 Y162 | Q147-T158 HydrophobicContact CB-CG2 4.19Å; E151-T158 WeakPolarHBondContact OE1-CB 2.81Å; E151-T158 WeakPolarHBondContact OE1-CG2 3.1Å; E151-T158 PolarHBondContact OE1-N 3.32Å; E151-T158 PolarHBondContact OE1-OG1 2.91Å; F156-T158 PolarHBondContact O-N 3.01Å; T158-A160 PolarHBondContact O-N 3.44Å; T158-N161 PolarHBondContact O-N 2.91Å; T158-N161 VanDerWaalsContact O-N 3.1Å; T158-N161 PolarHBondContact OG1-N 3.05Å; T158-N161 PolarHBondContact OG1-ND2 3.14Å; T158-Y162 WeakPolarHBondContact O-CD2 3.34Å; T158-Y162 PolarHBondContact O-N 2.94Å; T158-Y162 VanDerWaalsContact O-N 3.15Å |
| 159 | K | 80.7 | Confident | 79.1 | Confident | 171 Ų | 171 | 61.1 Ų | 61.1 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.1 | -30.6 | 170.5 | -68.3 | 179.1 | -177 | 169 | 0 | 112.8 | K163 | K159-K163 WeakPolarHBondContact O-CB 3.36Å; K159-K163 PolarHBondContact O-N 3.32Å |
| 160 | A | 79.8 | Confident | 79.6 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | T158 Y162 K163 S164 | T158-A160 PolarHBondContact O-N 3.44Å; A160-Y162 PolarHBondContact O-N 3.27Å; A160-K163 WeakPolarHBondContact O-CB 3.43Å; A160-K163 PolarHBondContact O-N 3.26Å; A160-K163 VanDerWaalsContact O-N 3.11Å; A160-S164 PolarHBondContact O-N 3Å; A160-S164 PolarHBondContact O-OG 2.95Å |
| 161 | N | 77.4 | Confident | 80.1 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 177.7 | -69.6 | -11.4 | 0 | 0 | 0 | 112.4 | E151 F156 T158 K163 S164 A165 | E151-N161 VanDerWaalsContact CD-ND2 3.25Å; E151-N161 PolarHBondContact OE1-ND2 3.44Å; F156-N161 HydrophobicContact CB-CB 4.2Å; F156-N161 HydrophobicContact CD1-CB 4.46Å; F156-N161 WeakPolarHBondContact O-CB 3.37Å; F156-N161 PolarHBondContact O-ND2 3.14Å; T158-N161 PolarHBondContact O-N 2.91Å; T158-N161 VanDerWaalsContact O-N 3.1Å; T158-N161 PolarHBondContact OG1-N 3.05Å; T158-N161 PolarHBondContact OG1-ND2 3.14Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 PolarHBondContact O-N 3.37Å; N161-S164 PolarHBondContact O-N 3.17Å; N161-A165 WeakPolarHBondContact O-CB 3.38Å; N161-A165 PolarHBondContact O-N 2.95Å |
| 162 | Y | 80.1 | Confident | 80.8 | Confident | 129 Ų | 129 | 64.3 Ų | 64.3 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 171.4 | -76 | -75.5 | 0 | 0 | 0 | 112 | F156 T158 A160 A166 | F156-Y162 HydrophobicContact CB-CD1 3.9Å; F156-Y162 HydrophobicContact CB-CD2 3.81Å; F156-Y162 HydrophobicContact CB-CE1 3.7Å; F156-Y162 HydrophobicContact CB-CE2 3.58Å; F156-Y162 HydrophobicContact CB-CG 3.95Å; F156-Y162 HydrophobicContact CD1-CD1 4.41Å; F156-Y162 AromaticContact CD2-CD1 3.84Å; F156-Y162 HydrophobicContact CD2-CD1 3.84Å; F156-Y162 AromaticContact CD2-CE1 3.38Å; F156-Y162 HydrophobicContact CD2-CE1 3.38Å; F156-Y162 AromaticContact CD2-CZ 3.9Å; F156-Y162 HydrophobicContact CE2-CE1 4.19Å; F156-Y162 AromaticContact CG-CD1 3.79Å; F156-Y162 HydrophobicContact CG-CD1 3.79Å; F156-Y162 AromaticContact CG-CE1 3.68Å; F156-Y162 HydrophobicContact CG-CE1 3.68Å; F156-Y162 HydrophobicContact CG-CE2 4.46Å; F156-Y162 HydrophobicContact CG-CG 4.24Å; T158-Y162 WeakPolarHBondContact O-CD2 3.34Å; T158-Y162 PolarHBondContact O-N 2.94Å; T158-Y162 VanDerWaalsContact O-N 3.15Å; A160-Y162 PolarHBondContact O-N 3.27Å; Y162-A166 WeakPolarHBondContact O-CB 3.1Å; Y162-A166 PolarHBondContact O-N 3.26Å |
| 163 | K | 83.5 | Confident | 81.8 | Confident | 132 Ų | 132 | 68.7 Ų | 68.7 | 57% | 0.574 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.5 | -47 | 178.6 | -176.1 | -176.5 | 172.9 | -163.9 | 0 | 111.2 | K159 A160 N161 A165 A166 E167 | K159-K163 WeakPolarHBondContact O-CB 3.36Å; K159-K163 PolarHBondContact O-N 3.32Å; A160-K163 WeakPolarHBondContact O-CB 3.43Å; A160-K163 PolarHBondContact O-N 3.26Å; A160-K163 VanDerWaalsContact O-N 3.11Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 PolarHBondContact O-N 3.37Å; K163-A165 VanDerWaalsContact C-N 3.35Å; K163-A165 PolarHBondContact O-N 3.47Å; K163-A166 PolarHBondContact O-N 2.96Å; K163-E167 WeakPolarHBondContact CE-OE1 3.43Å; K163-E167 IonicContact NZ-OE1 3.95Å; K163-E167 WeakPolarHBondContact O-CG 3.27Å; K163-E167 PolarHBondContact O-N 3.15Å |
| 164 | S | 82.3 | Confident | 82.7 | Confident | 56 Ų | 56 | 68.9 Ų | 68.9 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.9 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | A160 N161 A166 E167 E168 | A160-S164 PolarHBondContact O-N 3Å; A160-S164 PolarHBondContact O-OG 2.95Å; N161-S164 PolarHBondContact O-N 3.17Å; S164-A166 PolarHBondContact O-N 2.77Å; S164-E167 PolarHBondContact O-N 3.46Å; S164-E168 PolarHBondContact O-N 3.29Å |
| 165 | A | 81.1 | Confident | 83.8 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 5% | 0.05 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F156 N161 K163 E167 E168 F169 | F156-A165 HydrophobicContact CD1-CB 4.13Å; F156-A165 HydrophobicContact CE1-CB 3.46Å; F156-A165 VanDerWaalsContact CE1-CB 3.46Å; F156-A165 HydrophobicContact CZ-CB 4.3Å; N161-A165 WeakPolarHBondContact O-CB 3.38Å; N161-A165 PolarHBondContact O-N 2.95Å; K163-A165 VanDerWaalsContact C-N 3.35Å; K163-A165 PolarHBondContact O-N 3.47Å; A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 2.89Å; A165-E168 PolarHBondContact O-N 3.31Å; A165-F169 WeakPolarHBondContact O-CD2 3.46Å; A165-F169 PolarHBondContact O-N 3.37Å |
| 166 | A | 83.5 | Confident | 84.6 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 49% | 0.488 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y162 K163 S164 A170 | Y162-A166 WeakPolarHBondContact O-CB 3.1Å; Y162-A166 PolarHBondContact O-N 3.26Å; K163-A166 PolarHBondContact O-N 2.96Å; S164-A166 PolarHBondContact O-N 2.77Å; A166-A170 VanDerWaalsContact O-CB 3.28Å; A166-A170 WeakPolarHBondContact O-CB 3.3Å; A166-A170 PolarHBondContact O-N 2.78Å |
| 167 | E | 88.4 | Confident | 85.1 | Confident | 107 Ų | 107 | 74.1 Ų | 74.1 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 174.6 | -73.8 | 174 | 166.7 | 0 | 0 | 111.8 | K163 S164 A165 K171 | K163-E167 WeakPolarHBondContact CE-OE1 3.43Å; K163-E167 IonicContact NZ-OE1 3.95Å; K163-E167 WeakPolarHBondContact O-CG 3.27Å; K163-E167 PolarHBondContact O-N 3.15Å; S164-E167 PolarHBondContact O-N 3.46Å; A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 2.89Å; E167-K171 VanDerWaalsContact O-CB 3.29Å; E167-K171 WeakPolarHBondContact O-CB 3.38Å; E167-K171 PolarHBondContact O-N 3.43Å |
| 168 | E | 87.5 | Confident | 86 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 175 | -75.8 | -172.4 | -160.6 | 0 | 0 | 112.6 | S164 A165 A170 K171 T172 K190 | S164-E168 PolarHBondContact O-N 3.29Å; A165-E168 PolarHBondContact O-N 3.31Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.36Å; E168-K171 PolarHBondContact O-N 3.36Å; E168-T172 PolarHBondContact O-N 2.86Å; E168-T172 PolarHBondContact O-OG1 2.82Å; E168-T172 VanDerWaalsContact O-OG1 3.11Å; E168-K190 WeakPolarHBondContact OE2-CE 3.33Å; E168-K190 IonicContact OE2-NZ 3.94Å; E168-K190 PolarHBondContact OE2-NZ 3.35Å |
| 169 | F | 89.8 | Confident | 86.6 | Confident | 52 Ų | 52 | 85 Ų | 85 | 23% | 0.228 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.8 | -80.5 | -75.2 | 0 | 0 | 0 | 111.8 | A165 K171 T172 W173 L187 K190 F191 | A165-F169 WeakPolarHBondContact O-CD2 3.46Å; A165-F169 PolarHBondContact O-N 3.37Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.49Å; F169-T172 PolarHBondContact O-N 3.2Å; F169-W173 PolarHBondContact O-N 3.25Å; F169-L187 HydrophobicContact CB-CD2 4.18Å; F169-L187 HydrophobicContact CD1-CD2 3.78Å; F169-L187 HydrophobicContact CG-CD2 4.49Å; F169-L187 WeakPolarHBondContact O-CD2 3.14Å; F169-K190 HydrophobicContact CD1-CB 4.4Å; F169-K190 HydrophobicContact CD1-CG 4.08Å; F169-K190 HydrophobicContact CE1-CB 4.15Å; F169-K190 HydrophobicContact CE1-CG 3.95Å; F169-K190 HydrophobicContact CZ-CG 4.45Å; F169-F191 HydrophobicContact CE1-CB 4.05Å; F169-F191 HydrophobicContact CZ-CB 4.26Å; F169-F191 HydrophobicContact CZ-CD2 4.35Å |
| 170 | A | 89.6 | Confident | 87 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 45% | 0.446 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A166 E168 W173 V174 | A166-A170 VanDerWaalsContact O-CB 3.28Å; A166-A170 WeakPolarHBondContact O-CB 3.3Å; A166-A170 PolarHBondContact O-N 2.78Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.36Å; A170-W173 PolarHBondContact O-N 3.21Å; A170-V174 WeakPolarHBondContact O-CG2 3.49Å; A170-V174 PolarHBondContact O-N 3.17Å |
| 171 | K | 91.1 | Very high | 87.2 | Confident | 133 Ų | 133 | 80.1 Ų | 80.1 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.6 | -47.9 | 175.8 | -178.7 | -179.7 | 174.9 | -171 | 0 | 111.7 | E167 E168 F169 W173 V174 D175 | E167-K171 VanDerWaalsContact O-CB 3.29Å; E167-K171 WeakPolarHBondContact O-CB 3.38Å; E167-K171 PolarHBondContact O-N 3.43Å; E168-K171 PolarHBondContact O-N 3.36Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.49Å; K171-W173 VanDerWaalsContact C-N 3.26Å; K171-W173 PolarHBondContact O-N 3Å; K171-V174 PolarHBondContact O-N 3.34Å; K171-V174 VanDerWaalsContact O-N 3.1Å; K171-D175 WeakPolarHBondContact CE-OD2 3.37Å; K171-D175 WeakPolarHBondContact CG-OD2 3.4Å; K171-D175 WeakPolarHBondContact O-CB 3.47Å; K171-D175 VanDerWaalsContact O-CG 3.29Å; K171-D175 PolarHBondContact O-N 3.42Å |
| 172 | T | 88.7 | Confident | 87.8 | Confident | 30 Ų | 30 | 81.8 Ų | 81.8 | 18% | 0.184 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.6 | -42.4 | 177 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | E168 F169 A176 A186 K190 | E168-T172 PolarHBondContact O-N 2.86Å; E168-T172 PolarHBondContact O-OG1 2.82Å; E168-T172 VanDerWaalsContact O-OG1 3.11Å; F169-T172 PolarHBondContact O-N 3.2Å; T172-A176 WeakPolarHBondContact O-CB 3.33Å; T172-A176 PolarHBondContact O-N 2.81Å; T172-A186 HydrophobicContact CG2-CB 3.84Å; T172-A186 WeakPolarHBondContact CG2-O 3.39Å; T172-K190 HydrophobicContact CG2-CB 3.96Å; T172-K190 HydrophobicContact CG2-CG 4.42Å |
| 173 | W | 92.6 | Very high | 88.2 | Confident | 118 Ų | 118 | 76.3 Ų | 76.3 | 45% | 0.447 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 176.1 | -173.6 | 91.5 | 0 | 0 | 0 | 112.3 | F169 A170 K171 A176 F177 A183 L187 | F169-W173 PolarHBondContact O-N 3.25Å; A170-W173 PolarHBondContact O-N 3.21Å; K171-W173 VanDerWaalsContact C-N 3.26Å; K171-W173 PolarHBondContact O-N 3Å; W173-A176 PolarHBondContact O-N 2.93Å; W173-F177 HydrophobicContact CE3-CB 4.42Å; W173-F177 HydrophobicContact CH2-CB 4.29Å; W173-F177 HydrophobicContact CH2-CD2 4.08Å; W173-F177 HydrophobicContact CH2-CG 4.16Å; W173-F177 HydrophobicContact CZ2-CD2 4.48Å; W173-F177 HydrophobicContact CZ3-CB 4.13Å; W173-F177 HydrophobicContact CZ3-CG 4.28Å; W173-F177 WeakPolarHBondContact O-CB 3.35Å; W173-F177 PolarHBondContact O-N 3.07Å; W173-A183 VanDerWaalsContact CD1-CB 3.5Å; W173-A183 HydrophobicContact CG-CB 4.15Å; W173-L187 HydrophobicContact CB-CD1 4.49Å; W173-L187 HydrophobicContact CB-CD2 4.22Å; W173-L187 HydrophobicContact CB-CG 4.4Å; W173-L187 HydrophobicContact CG-CD1 4.48Å |
| 174 | V | 92.4 | Very high | 88.5 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 179.7 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | A170 K171 F177 N178 | A170-V174 WeakPolarHBondContact O-CG2 3.49Å; A170-V174 PolarHBondContact O-N 3.17Å; K171-V174 PolarHBondContact O-N 3.34Å; K171-V174 VanDerWaalsContact O-N 3.1Å; V174-F177 PolarHBondContact O-N 2.97Å; V174-N178 WeakPolarHBondContact CG1-ND2 3.5Å; V174-N178 WeakPolarHBondContact O-CB 3.32Å; V174-N178 VanDerWaalsContact O-CG 3.22Å; V174-N178 PolarHBondContact O-N 3.39Å; V174-N178 PolarHBondContact O-ND2 3.03Å; V174-N178 VanDerWaalsContact O-ND2 3.14Å |
| 175 | D | 91.5 | Very high | 88.9 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 35% | 0.348 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62 | -47.7 | 178.1 | -69.9 | -15.5 | 0 | 0 | 0 | 110 | K171 F177 N178 E179 | K171-D175 WeakPolarHBondContact CE-OD2 3.37Å; K171-D175 WeakPolarHBondContact CG-OD2 3.4Å; K171-D175 WeakPolarHBondContact O-CB 3.47Å; K171-D175 VanDerWaalsContact O-CG 3.29Å; K171-D175 PolarHBondContact O-N 3.42Å; D175-F177 PolarHBondContact O-N 2.88Å; D175-N178 PolarHBondContact O-N 2.98Å; D175-E179 WeakPolarHBondContact O-CB 3.26Å; D175-E179 WeakPolarHBondContact O-CG 3.46Å; D175-E179 PolarHBondContact O-N 3.41Å |
| 176 | A | 88.7 | Confident | 89.1 | Confident | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.033 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T172 W173 N178 E179 G180 S181 A183 A186 | T172-A176 WeakPolarHBondContact O-CB 3.33Å; T172-A176 PolarHBondContact O-N 2.81Å; W173-A176 PolarHBondContact O-N 2.93Å; A176-N178 VanDerWaalsContact C-N 3.35Å; A176-N178 PolarHBondContact O-N 3.37Å; A176-E179 PolarHBondContact O-N 3.44Å; A176-G180 PolarHBondContact O-N 3.49Å; A176-S181 WeakPolarHBondContact CA-OG 3.25Å; A176-S181 WeakPolarHBondContact CB-OG 3.48Å; A176-S181 PolarHBondContact O-N 2.81Å; A176-S181 PolarHBondContact O-OG 3.09Å; A176-S181 VanDerWaalsContact O-OG 3.12Å; A176-A183 HydrophobicContact CB-CB 4.06Å; A176-A186 HydrophobicContact CB-CB 3.57Å |
| 177 | F | 88.6 | Confident | 89.4 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 58% | 0.579 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.1 | -43.9 | 175.5 | 179.8 | -95.3 | 0 | 0 | 0 | 112.2 | W173 V174 D175 G180 | W173-F177 HydrophobicContact CE3-CB 4.42Å; W173-F177 HydrophobicContact CH2-CB 4.29Å; W173-F177 HydrophobicContact CH2-CD2 4.08Å; W173-F177 HydrophobicContact CH2-CG 4.16Å; W173-F177 HydrophobicContact CZ2-CD2 4.48Å; W173-F177 HydrophobicContact CZ3-CB 4.13Å; W173-F177 HydrophobicContact CZ3-CG 4.28Å; W173-F177 WeakPolarHBondContact O-CB 3.35Å; W173-F177 PolarHBondContact O-N 3.07Å; V174-F177 PolarHBondContact O-N 2.97Å; D175-F177 PolarHBondContact O-N 2.88Å; F177-G180 PolarHBondContact O-N 2.63Å |
| 178 | N | 91.3 | Very high | 89.3 | Confident | 117 Ų | 117 | 77.3 Ų | 77.3 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -70 | -32.6 | 179.7 | -72.2 | -30.7 | 0 | 0 | 0 | 112.9 | V174 D175 A176 | V174-N178 WeakPolarHBondContact CG1-ND2 3.5Å; V174-N178 WeakPolarHBondContact O-CB 3.32Å; V174-N178 VanDerWaalsContact O-CG 3.22Å; V174-N178 PolarHBondContact O-N 3.39Å; V174-N178 PolarHBondContact O-ND2 3.03Å; V174-N178 VanDerWaalsContact O-ND2 3.14Å; D175-N178 PolarHBondContact O-N 2.98Å; A176-N178 VanDerWaalsContact C-N 3.35Å; A176-N178 PolarHBondContact O-N 3.37Å |
| 179 | E | 90.9 | Very high | 89.2 | Confident | 157 Ų | 157 | 77.6 Ų | 77.6 | 73% | 0.734 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -78.6 | -8.7 | 175.1 | -70.1 | 176.7 | -179.1 | 0 | 0 | 112.9 | D175 A176 S181 | D175-E179 WeakPolarHBondContact O-CB 3.26Å; D175-E179 WeakPolarHBondContact O-CG 3.46Å; D175-E179 PolarHBondContact O-N 3.41Å; A176-E179 PolarHBondContact O-N 3.44Å; E179-S181 VanDerWaalsContact C-N 3.25Å; E179-S181 PolarHBondContact O-N 3.48Å |
| 180 | G | 88.6 | Confident | 89 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 72% | 0.722 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 20.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | A176 F177 | A176-G180 PolarHBondContact O-N 3.49Å; F177-G180 PolarHBondContact O-N 2.63Å |
| 181 | S | 84.6 | Confident | 88.7 | Confident | 57 Ų | 57 | 79.3 Ų | 79.3 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -89.7 | 167.3 | 175.9 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | A176 E179 A183 | A176-S181 WeakPolarHBondContact CA-OG 3.25Å; A176-S181 WeakPolarHBondContact CB-OG 3.48Å; A176-S181 PolarHBondContact O-N 2.81Å; A176-S181 PolarHBondContact O-OG 3.09Å; A176-S181 VanDerWaalsContact O-OG 3.12Å; E179-S181 VanDerWaalsContact C-N 3.25Å; E179-S181 PolarHBondContact O-N 3.48Å; S181-A183 PolarHBondContact O-N 2.78Å; S181-A183 VanDerWaalsContact O-N 3.13Å |
| 182 | D | 89.7 | Confident | 88.2 | Confident | 94 Ų | 94 | 76.9 Ų | 76.9 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | trans | -70.9 | 108.1 | 177.9 | -171.6 | -32.7 | 0 | 0 | 0 | 110 | L184 E185 A186 | D182-L184 VanDerWaalsContact C-N 3.26Å; D182-L184 PolarHBondContact O-N 3.46Å; D182-L184 WeakPolarHBondContact OD1-CA 3.45Å; D182-L184 WeakPolarHBondContact OD1-CB 3.32Å; D182-L184 PolarHBondContact OD1-N 2.87Å; D182-E185 HydrophobicContact CB-CB 3.86Å; D182-E185 PolarHBondContact O-N 3.34Å; D182-E185 PolarHBondContact OD1-N 3.07Å; D182-A186 PolarHBondContact O-N 3.36Å | ||
| 183 | A | 88.3 | Confident | 87.8 | Confident | 14 Ų | 14 | 80.8 Ų | 80.8 | 12% | 0.116 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.2 | -27.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W173 A176 S181 L187 | W173-A183 VanDerWaalsContact CD1-CB 3.5Å; W173-A183 HydrophobicContact CG-CB 4.15Å; A176-A183 HydrophobicContact CB-CB 4.06Å; S181-A183 PolarHBondContact O-N 2.78Å; S181-A183 VanDerWaalsContact O-N 3.13Å; A183-L187 WeakPolarHBondContact O-CB 3.45Å; A183-L187 WeakPolarHBondContact O-CG 3.11Å; A183-L187 PolarHBondContact O-N 3.48Å |
| 184 | L | 90.3 | Very high | 86.9 | Confident | 110 Ų | 110 | 78.5 Ų | 78.5 | 58% | 0.576 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72.2 | -41.1 | 174.7 | 179 | 62.4 | 0 | 0 | 0 | 110.7 | D182 L187 N188 | D182-L184 VanDerWaalsContact C-N 3.26Å; D182-L184 PolarHBondContact O-N 3.46Å; D182-L184 WeakPolarHBondContact OD1-CA 3.45Å; D182-L184 WeakPolarHBondContact OD1-CB 3.32Å; D182-L184 PolarHBondContact OD1-N 2.87Å; L184-L187 PolarHBondContact O-N 3.47Å; L184-N188 PolarHBondContact O-N 2.66Å; L184-N188 PolarHBondContact O-ND2 2.9Å |
| 185 | E | 89.6 | Confident | 86.1 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 173.9 | -171 | 179.9 | 173.5 | 0 | 0 | 111.2 | D182 L187 N188 N189 | D182-E185 HydrophobicContact CB-CB 3.86Å; D182-E185 PolarHBondContact O-N 3.34Å; D182-E185 PolarHBondContact OD1-N 3.07Å; E185-L187 PolarHBondContact O-N 3.34Å; E185-N188 PolarHBondContact O-N 2.98Å; E185-N189 WeakPolarHBondContact O-CB 2.98Å; E185-N189 VanDerWaalsContact O-CG 3.3Å; E185-N189 PolarHBondContact O-N 2.89Å; E185-N189 PolarHBondContact O-ND2 3.09Å |
| 186 | A | 85 | Confident | 85.4 | Confident | 21 Ų | 21 | 77.9 Ų | 77.9 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T172 A176 D182 N189 K190 | T172-A186 HydrophobicContact CG2-CB 3.84Å; T172-A186 WeakPolarHBondContact CG2-O 3.39Å; A176-A186 HydrophobicContact CB-CB 3.57Å; D182-A186 PolarHBondContact O-N 3.36Å; A186-N189 PolarHBondContact O-N 2.97Å; A186-K190 WeakPolarHBondContact O-CB 3.2Å; A186-K190 PolarHBondContact O-N 3.34Å |
| 187 | L | 89.4 | Confident | 84.5 | Confident | 44 Ų | 44 | 80.9 Ų | 80.9 | 23% | 0.23 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64 | -42 | 174.8 | -75.9 | 174.9 | 0 | 0 | 0 | 112.5 | F169 W173 A183 L184 E185 K190 F191 | F169-L187 HydrophobicContact CB-CD2 4.18Å; F169-L187 HydrophobicContact CD1-CD2 3.78Å; F169-L187 HydrophobicContact CG-CD2 4.49Å; F169-L187 WeakPolarHBondContact O-CD2 3.14Å; W173-L187 HydrophobicContact CB-CD1 4.49Å; W173-L187 HydrophobicContact CB-CD2 4.22Å; W173-L187 HydrophobicContact CB-CG 4.4Å; W173-L187 HydrophobicContact CG-CD1 4.48Å; A183-L187 WeakPolarHBondContact O-CB 3.45Å; A183-L187 WeakPolarHBondContact O-CG 3.11Å; A183-L187 PolarHBondContact O-N 3.48Å; L184-L187 PolarHBondContact O-N 3.47Å; E185-L187 PolarHBondContact O-N 3.34Å; L187-K190 PolarHBondContact O-N 2.95Å; L187-F191 WeakPolarHBondContact O-CB 3.45Å; L187-F191 PolarHBondContact O-N 2.86Å |
| 188 | N | 87.5 | Confident | 83.5 | Confident | 85 Ų | 85 | 76.9 Ų | 76.9 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.9 | -75.2 | -28.8 | 0 | 0 | 0 | 111.1 | L184 E185 K190 F191 D192 | L184-N188 PolarHBondContact O-N 2.66Å; L184-N188 PolarHBondContact O-ND2 2.9Å; E185-N188 PolarHBondContact O-N 2.98Å; N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 3.19Å; N188-F191 WeakPolarHBondContact O-CB 3.27Å; N188-F191 PolarHBondContact O-N 2.88Å; N188-F191 VanDerWaalsContact O-N 3.17Å; N188-D192 PolarHBondContact O-N 2.83Å |
| 189 | N | 85.3 | Confident | 82.6 | Confident | 89 Ų | 89 | 73.1 Ų | 73.1 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 175.8 | -71.4 | -26.5 | 0 | 0 | 0 | 111.6 | E185 A186 D192 E193 | E185-N189 WeakPolarHBondContact O-CB 2.98Å; E185-N189 VanDerWaalsContact O-CG 3.3Å; E185-N189 PolarHBondContact O-N 2.89Å; E185-N189 PolarHBondContact O-ND2 3.09Å; A186-N189 PolarHBondContact O-N 2.97Å; N189-D192 PolarHBondContact O-N 3.17Å; N189-E193 WeakPolarHBondContact O-CB 3.44Å; N189-E193 PolarHBondContact O-N 2.85Å |
| 190 | K | 84.4 | Confident | 81.7 | Confident | 34 Ų | 34 | 67 Ų | 67 | 15% | 0.148 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 176.7 | -174.5 | 61.9 | 176 | 173.1 | 0 | 112.5 | E168 F169 T172 A186 L187 N188 E193 Y194 | E168-K190 WeakPolarHBondContact OE2-CE 3.33Å; E168-K190 IonicContact OE2-NZ 3.94Å; E168-K190 PolarHBondContact OE2-NZ 3.35Å; F169-K190 HydrophobicContact CD1-CB 4.4Å; F169-K190 HydrophobicContact CD1-CG 4.08Å; F169-K190 HydrophobicContact CE1-CB 4.15Å; F169-K190 HydrophobicContact CE1-CG 3.95Å; F169-K190 HydrophobicContact CZ-CG 4.45Å; T172-K190 HydrophobicContact CG2-CB 3.96Å; T172-K190 HydrophobicContact CG2-CG 4.42Å; A186-K190 WeakPolarHBondContact O-CB 3.2Å; A186-K190 PolarHBondContact O-N 3.34Å; L187-K190 PolarHBondContact O-N 2.95Å; N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 3.19Å; K190-E193 IonicContact NZ-OE2 3.91Å; K190-Y194 VanDerWaalsContact O-CB 3.28Å; K190-Y194 WeakPolarHBondContact O-CB 3.19Å; K190-Y194 PolarHBondContact O-N 2.57Å |
| 191 | F | 84.4 | Confident | 80.8 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 172.9 | 179.5 | -89.5 | 0 | 0 | 0 | 110.9 | F169 L187 N188 E193 Y194 F195 | F169-F191 HydrophobicContact CE1-CB 4.05Å; F169-F191 HydrophobicContact CZ-CB 4.26Å; F169-F191 HydrophobicContact CZ-CD2 4.35Å; L187-F191 WeakPolarHBondContact O-CB 3.45Å; L187-F191 PolarHBondContact O-N 2.86Å; N188-F191 WeakPolarHBondContact O-CB 3.27Å; N188-F191 PolarHBondContact O-N 2.88Å; N188-F191 VanDerWaalsContact O-N 3.17Å; F191-E193 PolarHBondContact O-N 3.33Å; F191-Y194 PolarHBondContact O-N 3.45Å; F191-F195 HydrophobicContact CD1-CB 4.43Å; F191-F195 HydrophobicContact CE1-CB 4.11Å; F191-F195 HydrophobicContact CE1-CG 4.3Å; F191-F195 HydrophobicContact CZ-CB 4.36Å; F191-F195 HydrophobicContact CZ-CD2 4.25Å; F191-F195 HydrophobicContact CZ-CG 4.42Å; F191-F195 WeakPolarHBondContact O-CB 3.3Å; F191-F195 PolarHBondContact O-N 2.89Å |
| 192 | D | 81.5 | Confident | 79.9 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 177.9 | -73 | -14.5 | 0 | 0 | 0 | 110.7 | N188 N189 Y194 N196 | N188-D192 PolarHBondContact O-N 2.83Å; N189-D192 PolarHBondContact O-N 3.17Å; D192-Y194 PolarHBondContact O-N 3.36Å; D192-N196 WeakPolarHBondContact O-CA 3.44Å; D192-N196 WeakPolarHBondContact O-CB 3.41Å; D192-N196 PolarHBondContact O-N 2.83Å; D192-N196 PolarHBondContact O-ND2 2.88Å |
| 193 | E | 78.4 | Confident | 79.3 | Confident | 112 Ų | 112 | 65.5 Ų | 65.5 | 52% | 0.523 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 175 | -174.6 | -167.2 | 162.3 | 0 | 0 | 111.7 | N189 K190 F191 T197 | N189-E193 WeakPolarHBondContact O-CB 3.44Å; N189-E193 PolarHBondContact O-N 2.85Å; K190-E193 IonicContact NZ-OE2 3.91Å; F191-E193 PolarHBondContact O-N 3.33Å; E193-T197 WeakPolarHBondContact O-CB 3.35Å; E193-T197 PolarHBondContact O-N 3.45Å; E193-T197 PolarHBondContact O-OG1 2.85Å |
| 194 | Y | 73.9 | Confident | 78.8 | Confident | 71 Ų | 71 | 66 Ų | 66 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.9 | -50.4 | -177.1 | -165 | -88.5 | 0 | 0 | 0 | 111.6 | F156 K190 F191 D192 T197 M198 | F156-Y194 HydrophobicContact CD1-CE1 4.39Å; F156-Y194 WeakPolarHBondContact CD1-OH 3.47Å; F156-Y194 HydrophobicContact CE1-CD1 4.49Å; F156-Y194 AromaticContact CE1-CE1 3.41Å; F156-Y194 HydrophobicContact CE1-CE1 3.41Å; F156-Y194 VanDerWaalsContact CE1-CE1 3.41Å; F156-Y194 AromaticContact CE1-CZ 3.5Å; F156-Y194 VanDerWaalsContact CE1-CZ 3.5Å; F156-Y194 WeakPolarHBondContact CE1-OH 3.48Å; F156-Y194 HydrophobicContact CZ-CD1 4.37Å; F156-Y194 AromaticContact CZ-CE1 3.58Å; F156-Y194 HydrophobicContact CZ-CE1 3.58Å; K190-Y194 VanDerWaalsContact O-CB 3.28Å; K190-Y194 WeakPolarHBondContact O-CB 3.19Å; K190-Y194 PolarHBondContact O-N 2.57Å; F191-Y194 PolarHBondContact O-N 3.45Å; D192-Y194 PolarHBondContact O-N 3.36Å; Y194-T197 PolarHBondContact O-N 3.44Å; Y194-M198 VanDerWaalsContact O-CB 3.3Å; Y194-M198 WeakPolarHBondContact O-CB 3.31Å; Y194-M198 PolarHBondContact O-N 3.37Å |
| 195 | F | 76.4 | Confident | 77.9 | Confident | 91 Ų | 91 | 63 Ų | 63 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | -179 | -174.5 | -96.2 | 0 | 0 | 0 | 111.3 | F191 M198 L199 | F191-F195 HydrophobicContact CD1-CB 4.43Å; F191-F195 HydrophobicContact CE1-CB 4.11Å; F191-F195 HydrophobicContact CE1-CG 4.3Å; F191-F195 HydrophobicContact CZ-CB 4.36Å; F191-F195 HydrophobicContact CZ-CD2 4.25Å; F191-F195 HydrophobicContact CZ-CG 4.42Å; F191-F195 WeakPolarHBondContact O-CB 3.3Å; F191-F195 PolarHBondContact O-N 2.89Å; F195-M198 PolarHBondContact O-N 2.97Å; F195-L199 HydrophobicContact CD1-CD2 4.38Å; F195-L199 HydrophobicContact CE1-CD2 3.54Å; F195-L199 HydrophobicContact CZ-CD2 3.9Å; F195-L199 VanDerWaalsContact O-CB 3.25Å; F195-L199 WeakPolarHBondContact O-CB 3.48Å; F195-L199 PolarHBondContact O-N 2.71Å |
| 196 | N | 76.6 | Confident | 77.2 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 178 | -72.5 | -24.5 | 0 | 0 | 0 | 111.6 | D192 M198 T200 L266 V268 | D192-N196 WeakPolarHBondContact O-CA 3.44Å; D192-N196 WeakPolarHBondContact O-CB 3.41Å; D192-N196 PolarHBondContact O-N 2.83Å; D192-N196 PolarHBondContact O-ND2 2.88Å; N196-M198 VanDerWaalsContact C-N 3.35Å; N196-M198 PolarHBondContact O-N 3.48Å; N196-T200 WeakPolarHBondContact O-CA 3.44Å; N196-T200 WeakPolarHBondContact O-CB 3.5Å; N196-T200 PolarHBondContact O-N 3.37Å; N196-T200 PolarHBondContact O-OG1 2.78Å; N196-L266 PolarHBondContact ND2-O 2.86Å; N196-L266 PolarHBondContact OD1-O 2.81Å; N196-V268 HydrophobicContact CB-CG2 3.43Å; N196-V268 VanDerWaalsContact CB-CG2 3.43Å; N196-V268 WeakPolarHBondContact ND2-CG2 3.39Å |
| 197 | T | 70.4 | Confident | 76.9 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 111 | E193 Y194 K201 | E193-T197 WeakPolarHBondContact O-CB 3.35Å; E193-T197 PolarHBondContact O-N 3.45Å; E193-T197 PolarHBondContact O-OG1 2.85Å; Y194-T197 PolarHBondContact O-N 3.44Å; T197-K201 HydrophobicContact CG2-CD 4.31Å; T197-K201 WeakPolarHBondContact O-CB 3.38Å; T197-K201 VanDerWaalsContact O-CG 3.3Å; T197-K201 WeakPolarHBondContact O-CG 3Å; T197-K201 PolarHBondContact O-N 3.35Å |
| 198 | M | 67.1 | Low | 76.3 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -51.7 | 178.5 | 173.6 | -178 | 155.3 | 0 | 0 | 111.9 | G154 Y194 F195 N196 K201 Q202 | G154-M198 VanDerWaalsContact C-CE 3.44Å; G154-M198 WeakPolarHBondContact O-CE 3.46Å; G154-M198 WeakPolarHBondContact O-CG 3.5Å; Y194-M198 VanDerWaalsContact O-CB 3.3Å; Y194-M198 WeakPolarHBondContact O-CB 3.31Å; Y194-M198 PolarHBondContact O-N 3.37Å; F195-M198 PolarHBondContact O-N 2.97Å; N196-M198 VanDerWaalsContact C-N 3.35Å; N196-M198 PolarHBondContact O-N 3.48Å; M198-K201 PolarHBondContact O-N 3.06Å; M198-Q202 WeakPolarHBondContact O-CG 3.38Å; M198-Q202 PolarHBondContact O-N 3.45Å; M198-Q202 VanDerWaalsContact O-N 3.07Å |
| 199 | L | 72.9 | Confident | 75.6 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 20% | 0.199 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.3 | -38.2 | -177.9 | -173.1 | 52 | 0 | 0 | 0 | 111.8 | F195 Q202 L203 L266 | F195-L199 HydrophobicContact CD1-CD2 4.38Å; F195-L199 HydrophobicContact CE1-CD2 3.54Å; F195-L199 HydrophobicContact CZ-CD2 3.9Å; F195-L199 VanDerWaalsContact O-CB 3.25Å; F195-L199 WeakPolarHBondContact O-CB 3.48Å; F195-L199 PolarHBondContact O-N 2.71Å; L199-Q202 PolarHBondContact O-N 3.42Å; L199-L203 HydrophobicContact CD1-CD1 3.52Å; L199-L203 HydrophobicContact CD1-CG 3.95Å; L199-L203 HydrophobicContact CG-CD1 3.74Å; L199-L203 WeakPolarHBondContact O-CB 3.4Å; L199-L203 WeakPolarHBondContact O-CG 3.05Å; L199-L203 PolarHBondContact O-N 2.94Å; L199-L266 HydrophobicContact CB-CD1 4.21Å; L199-L266 HydrophobicContact CD2-CD1 4.28Å; L199-L266 HydrophobicContact CD2-CD2 3.34Å; L199-L266 HydrophobicContact CD2-CG 4.45Å; L199-L266 HydrophobicContact CG-CD1 4.08Å; L199-L266 HydrophobicContact CG-CD2 4.02Å |
| 200 | T | 72.5 | Confident | 75.4 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 17% | 0.172 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -51.2 | 172.3 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | N196 Q202 L203 M204 M263 | N196-T200 WeakPolarHBondContact O-CA 3.44Å; N196-T200 WeakPolarHBondContact O-CB 3.5Å; N196-T200 PolarHBondContact O-N 3.37Å; N196-T200 PolarHBondContact O-OG1 2.78Å; T200-Q202 VanDerWaalsContact C-N 3.34Å; T200-Q202 PolarHBondContact O-N 2.92Å; T200-L203 PolarHBondContact O-N 3.31Å; T200-M204 HydrophobicContact CG2-CG 3.76Å; T200-M204 WeakPolarHBondContact O-CB 3.48Å; T200-M204 WeakPolarHBondContact O-CG 3.34Å; T200-M204 PolarHBondContact O-N 3.19Å; T200-M263 HydrophobicContact CG2-SD 3.92Å |
| 201 | K | 69.4 | Low | 75.4 | Confident | 126 Ų | 126 | 61.2 Ų | 61.2 | 55% | 0.548 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.6 | -46.9 | 177.5 | -77.7 | 177.6 | 178.9 | -176.9 | 0 | 112.2 | T197 M198 N205 | T197-K201 HydrophobicContact CG2-CD 4.31Å; T197-K201 WeakPolarHBondContact O-CB 3.38Å; T197-K201 VanDerWaalsContact O-CG 3.3Å; T197-K201 WeakPolarHBondContact O-CG 3Å; T197-K201 PolarHBondContact O-N 3.35Å; M198-K201 PolarHBondContact O-N 3.06Å; K201-N205 WeakPolarHBondContact O-CB 3.46Å; K201-N205 PolarHBondContact O-N 3.14Å; K201-N205 PolarHBondContact O-ND2 3.38Å; K201-N205 PolarHBondContact O-OD1 3.06Å |
| 202 | Q | 64.4 | Low | 75.2 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -49.2 | -180 | -70.1 | 175.1 | 30.5 | 0 | 0 | 112.7 | L153 G154 M198 L199 T200 N205 R206 | L153-Q202 PolarHBondContact O-NE2 2.84Å; L153-Q202 PolarHBondContact O-OE1 3.2Å; G154-Q202 VanDerWaalsContact CA-NE2 3.34Å; M198-Q202 WeakPolarHBondContact O-CG 3.38Å; M198-Q202 PolarHBondContact O-N 3.45Å; M198-Q202 VanDerWaalsContact O-N 3.07Å; L199-Q202 PolarHBondContact O-N 3.42Å; T200-Q202 VanDerWaalsContact C-N 3.34Å; T200-Q202 PolarHBondContact O-N 2.92Å; Q202-N205 PolarHBondContact O-N 3.3Å; Q202-R206 PolarHBondContact O-N 3.47Å; Q202-R206 VanDerWaalsContact O-N 3.09Å |
| 203 | L | 77 | Confident | 75 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.6 | -31.2 | -175.7 | -67.6 | 171.3 | 0 | 0 | 0 | 111.4 | L199 T200 R206 A207 Y258 L262 | L199-L203 HydrophobicContact CD1-CD1 3.52Å; L199-L203 HydrophobicContact CD1-CG 3.95Å; L199-L203 HydrophobicContact CG-CD1 3.74Å; L199-L203 WeakPolarHBondContact O-CB 3.4Å; L199-L203 WeakPolarHBondContact O-CG 3.05Å; L199-L203 PolarHBondContact O-N 2.94Å; T200-L203 PolarHBondContact O-N 3.31Å; L203-R206 PolarHBondContact O-N 2.98Å; L203-A207 WeakPolarHBondContact O-CB 3.3Å; L203-A207 PolarHBondContact O-N 2.94Å; L203-Y258 HydrophobicContact CB-CE1 4.44Å; L203-Y258 WeakPolarHBondContact O-CE1 3.38Å; L203-L262 HydrophobicContact CB-CD1 4.28Å; L203-L262 HydrophobicContact CB-CD2 3.43Å; L203-L262 VanDerWaalsContact CB-CD2 3.43Å; L203-L262 HydrophobicContact CB-CG 4.48Å; L203-L262 HydrophobicContact CD1-CD1 3.26Å; L203-L262 HydrophobicContact CD1-CD2 4.01Å; L203-L262 HydrophobicContact CD1-CG 4.26Å; L203-L262 HydrophobicContact CG-CD1 4.39Å; L203-L262 HydrophobicContact CG-CD2 4.36Å |
| 204 | M | 78 | Confident | 75.1 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 170.2 | -67.6 | -60.5 | 78.4 | 0 | 0 | 111.8 | T200 R206 A207 T208 F255 Y258 A259 L262 | T200-M204 HydrophobicContact CG2-CG 3.76Å; T200-M204 WeakPolarHBondContact O-CB 3.48Å; T200-M204 WeakPolarHBondContact O-CG 3.34Å; T200-M204 PolarHBondContact O-N 3.19Å; M204-R206 PolarHBondContact O-N 3.21Å; M204-A207 HydrophobicContact CE-CB 3.92Å; M204-A207 CarbonylContact O-C 2.98Å; M204-A207 WeakPolarHBondContact O-CB 3.43Å; M204-A207 PolarHBondContact O-N 3.38Å; M204-A207 VanDerWaalsContact O-N 3.17Å; M204-T208 WeakPolarHBondContact O-CB 3.37Å; M204-T208 PolarHBondContact O-N 3.41Å; M204-T208 PolarHBondContact O-OG1 3.47Å; M204-F255 HydrophobicContact SD-CZ 4.13Å; M204-Y258 HydrophobicContact CE-CD1 3.46Å; M204-Y258 VanDerWaalsContact CE-CD1 3.46Å; M204-Y258 HydrophobicContact CE-CE1 3.43Å; M204-Y258 VanDerWaalsContact CE-CE1 3.43Å; M204-A259 HydrophobicContact CE-CB 4.01Å; M204-A259 HydrophobicContact SD-CB 3.59Å; M204-A259 VanDerWaalsContact SD-CB 3.59Å; M204-L262 HydrophobicContact CE-CD2 3.52Å |
| 205 | N | 72.4 | Confident | 75.2 | Confident | 46 Ų | 46 | 50 Ų | 50 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 172 | -75.8 | -10.3 | 0 | 0 | 0 | 111.3 | I89 K201 Q202 A207 T208 S209 | I89-N205 HydrophobicContact CD1-CB 3.89Å; K201-N205 WeakPolarHBondContact O-CB 3.46Å; K201-N205 PolarHBondContact O-N 3.14Å; K201-N205 PolarHBondContact O-ND2 3.38Å; K201-N205 PolarHBondContact O-OD1 3.06Å; Q202-N205 PolarHBondContact O-N 3.3Å; N205-A207 VanDerWaalsContact C-N 3.31Å; N205-A207 PolarHBondContact O-N 3.16Å; N205-T208 WeakPolarHBondContact O-CB 3.06Å; N205-T208 PolarHBondContact O-N 2.93Å; N205-T208 VanDerWaalsContact O-N 3.15Å; N205-S209 PolarHBondContact O-N 2.74Å; N205-S209 PolarHBondContact O-OG 3.21Å |
| 206 | R | 73.4 | Confident | 75.4 | Confident | 124 Ų | 124 | 49.2 Ų | 49.2 | 47% | 0.468 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -40.4 | 174.1 | -67.2 | -175.7 | 177.2 | 166.8 | -1 | 112.7 | I89 Q202 L203 M204 K210 | I89-R206 HydrophobicContact CD1-CG 3.75Å; Q202-R206 PolarHBondContact O-N 3.47Å; Q202-R206 VanDerWaalsContact O-N 3.09Å; L203-R206 PolarHBondContact O-N 2.98Å; M204-R206 PolarHBondContact O-N 3.21Å; R206-K210 VanDerWaalsContact O-CB 3.27Å; R206-K210 WeakPolarHBondContact O-CB 3.49Å; R206-K210 PolarHBondContact O-N 3.13Å |
| 207 | A | 79 | Confident | 75.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L203 M204 N205 K210 Y211 F255 Y258 | L203-A207 WeakPolarHBondContact O-CB 3.3Å; L203-A207 PolarHBondContact O-N 2.94Å; M204-A207 HydrophobicContact CE-CB 3.92Å; M204-A207 CarbonylContact O-C 2.98Å; M204-A207 WeakPolarHBondContact O-CB 3.43Å; M204-A207 PolarHBondContact O-N 3.38Å; M204-A207 VanDerWaalsContact O-N 3.17Å; N205-A207 VanDerWaalsContact C-N 3.31Å; N205-A207 PolarHBondContact O-N 3.16Å; A207-K210 PolarHBondContact O-N 2.83Å; A207-Y211 HydrophobicContact CB-CD2 3.99Å; A207-Y211 HydrophobicContact CB-CE2 4.14Å; A207-Y211 WeakPolarHBondContact O-CB 3.48Å; A207-Y211 WeakPolarHBondContact O-CD2 3.2Å; A207-Y211 PolarHBondContact O-N 2.97Å; A207-F255 HydrophobicContact CB-CD2 3.76Å; A207-F255 HydrophobicContact CB-CE2 3.65Å; A207-Y258 HydrophobicContact CB-CD1 3.47Å; A207-Y258 VanDerWaalsContact CB-CD1 3.47Å; A207-Y258 HydrophobicContact CB-CE1 3.59Å; A207-Y258 HydrophobicContact CB-CG 4.35Å |
| 208 | T | 76.6 | Confident | 76.1 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -60.9 | -50.8 | 176.1 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | M204 N205 K210 Y211 I212 Q213 | M204-T208 WeakPolarHBondContact O-CB 3.37Å; M204-T208 PolarHBondContact O-N 3.41Å; M204-T208 PolarHBondContact O-OG1 3.47Å; N205-T208 WeakPolarHBondContact O-CB 3.06Å; N205-T208 PolarHBondContact O-N 2.93Å; N205-T208 VanDerWaalsContact O-N 3.15Å; T208-K210 VanDerWaalsContact C-N 3.28Å; T208-K210 PolarHBondContact O-N 3.33Å; T208-Y211 PolarHBondContact O-N 2.92Å; T208-I212 HydrophobicContact CG2-CB 3.96Å; T208-I212 HydrophobicContact CG2-CG1 4Å; T208-I212 HydrophobicContact CG2-CG2 4.5Å; T208-I212 WeakPolarHBondContact O-CA 3.45Å; T208-I212 WeakPolarHBondContact O-CB 3.33Å; T208-I212 PolarHBondContact O-N 3.48Å; T208-Q213 PolarHBondContact O-N 2.87Å |
| 209 | S | 73.5 | Confident | 76.4 | Confident | 17 Ų | 17 | 53 Ų | 53 | 12% | 0.119 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -57.8 | -42.4 | 175.6 | -43.1 | 0 | 0 | 0 | 0 | 111.3 | F87 N205 Q213 | F87-S209 PolarHBondContact O-OG 3.18Å; N205-S209 PolarHBondContact O-N 2.74Å; N205-S209 PolarHBondContact O-OG 3.21Å; S209-Q213 WeakPolarHBondContact O-CB 3.33Å; S209-Q213 PolarHBondContact O-OE1 3.32Å |
| 210 | K | 82.3 | Confident | 76.5 | Confident | 136 Ų | 136 | 56.5 Ų | 56.5 | 59% | 0.591 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -72.7 | -40.9 | -176.6 | -174 | 176.8 | 177.5 | -168.1 | 0 | 114.3 | R206 A207 T208 | R206-K210 VanDerWaalsContact O-CB 3.27Å; R206-K210 WeakPolarHBondContact O-CB 3.49Å; R206-K210 PolarHBondContact O-N 3.13Å; A207-K210 PolarHBondContact O-N 2.83Å; T208-K210 VanDerWaalsContact C-N 3.28Å; T208-K210 PolarHBondContact O-N 3.33Å |
| 211 | Y | 83.2 | Confident | 76.9 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 9% | 0.09 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -107 | -33.5 | -169.3 | -57 | -60 | 0 | 0 | 0 | 112.6 | A207 T208 N251 L254 F255 Y258 | A207-Y211 HydrophobicContact CB-CD2 3.99Å; A207-Y211 HydrophobicContact CB-CE2 4.14Å; A207-Y211 WeakPolarHBondContact O-CB 3.48Å; A207-Y211 WeakPolarHBondContact O-CD2 3.2Å; A207-Y211 PolarHBondContact O-N 2.97Å; T208-Y211 PolarHBondContact O-N 2.92Å; Y211-N251 WeakPolarHBondContact O-CB 3.37Å; Y211-N251 VanDerWaalsContact O-CG 3.29Å; Y211-L254 HydrophobicContact CD1-CB 3.81Å; Y211-L254 HydrophobicContact CD1-CD1 4.38Å; Y211-L254 HydrophobicContact CE1-CB 3.73Å; Y211-L254 HydrophobicContact CE1-CD1 4.25Å; Y211-L254 HydrophobicContact CG-CB 4.47Å; Y211-F255 HydrophobicContact CD2-CB 3.97Å; Y211-F255 HydrophobicContact CD2-CD2 4.07Å; Y211-F255 HydrophobicContact CD2-CG 4.48Å; Y211-F255 HydrophobicContact CG-CB 4.2Å; Y211-Y258 HydrophobicContact CE2-CD2 4.45Å; Y211-Y258 HydrophobicContact CE2-CG 4.08Å |
| 212 | I | 79.4 | Confident | 77.1 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -88.5 | -37.5 | -177.7 | -52.8 | -58.9 | 0 | 0 | 0 | 111.6 | T208 P214 I215 L216 L252 F255 | T208-I212 HydrophobicContact CG2-CB 3.96Å; T208-I212 HydrophobicContact CG2-CG1 4Å; T208-I212 HydrophobicContact CG2-CG2 4.5Å; T208-I212 WeakPolarHBondContact O-CA 3.45Å; T208-I212 WeakPolarHBondContact O-CB 3.33Å; T208-I212 PolarHBondContact O-N 3.48Å; I212-P214 VanDerWaalsContact C-CD 3.49Å; I212-I215 HydrophobicContact CD1-CD1 4.16Å; I212-I215 WeakPolarHBondContact O-CA 3.25Å; I212-I215 VanDerWaalsContact O-CB 3.3Å; I212-I215 WeakPolarHBondContact O-CB 3.13Å; I212-I215 PolarHBondContact O-N 3.37Å; I212-L216 HydrophobicContact CG2-CD1 4.31Å; I212-L216 HydrophobicContact CG2-CG 4.26Å; I212-L216 PolarHBondContact O-N 3.24Å; I212-L216 VanDerWaalsContact O-N 3.17Å; I212-L252 HydrophobicContact CD1-CD2 3.5Å; I212-F255 HydrophobicContact CD1-CD2 4.47Å; I212-F255 HydrophobicContact CG1-CD2 4.33Å |
| 213 | Q | 78.4 | Confident | 77.5 | Confident | 39 Ų | 39 | 58 Ų | 58 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.6 | -43.6 | 179.7 | -169.4 | -175.8 | -36.4 | 0 | 0 | 113.6 | T208 S209 I215 L216 E217 | T208-Q213 PolarHBondContact O-N 2.87Å; S209-Q213 WeakPolarHBondContact O-CB 3.33Å; S209-Q213 PolarHBondContact O-OE1 3.32Å; Q213-I215 PolarHBondContact O-N 3.03Å; Q213-L216 PolarHBondContact O-N 2.92Å; Q213-L216 VanDerWaalsContact O-N 3.11Å; Q213-E217 HydrophobicContact CG-CG 4.29Å; Q213-E217 PolarHBondContact NE2-OE1 3.32Å; Q213-E217 WeakPolarHBondContact O-CG 3.49Å; Q213-E217 PolarHBondContact O-N 2.85Å |
| 214 | P | 80.6 | Confident | 77.3 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 29% | 0.286 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -27 | 176.8 | -23.6 | 35.1 | 0 | 0 | 0 | 114 | I212 A218 | I212-P214 VanDerWaalsContact C-CD 3.49Å; P214-A218 WeakPolarHBondContact O-CB 3.35Å; P214-A218 PolarHBondContact O-N 3.44Å |
| 215 | I | 76.2 | Confident | 77 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.2 | -46.5 | 175.5 | -53.2 | 169.2 | 0 | 0 | 0 | 109.2 | I212 Q213 A218 F219 K248 N251 L252 | I212-I215 HydrophobicContact CD1-CD1 4.16Å; I212-I215 WeakPolarHBondContact O-CA 3.25Å; I212-I215 VanDerWaalsContact O-CB 3.3Å; I212-I215 WeakPolarHBondContact O-CB 3.13Å; I212-I215 PolarHBondContact O-N 3.37Å; Q213-I215 PolarHBondContact O-N 3.03Å; I215-A218 WeakPolarHBondContact O-CB 3.45Å; I215-A218 PolarHBondContact O-N 3.45Å; I215-F219 HydrophobicContact CG2-CD2 4.15Å; I215-F219 HydrophobicContact CG2-CE2 3.98Å; I215-F219 WeakPolarHBondContact O-CD2 3.3Å; I215-F219 PolarHBondContact O-N 3.34Å; I215-F219 VanDerWaalsContact O-N 3.1Å; I215-K248 HydrophobicContact CD1-CB 4.33Å; I215-K248 HydrophobicContact CD1-CG 4.49Å; I215-K248 HydrophobicContact CG2-CB 4.29Å; I215-N251 HydrophobicContact CD1-CB 3.99Å; I215-N251 HydrophobicContact CG1-CB 4.19Å; I215-L252 HydrophobicContact CD1-CG 4.46Å |
| 216 | L | 79.3 | Confident | 77 | Confident | 76 Ų | 76 | 65 Ų | 65 | 40% | 0.398 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 178.9 | -60.1 | 178.5 | 0 | 0 | 0 | 111.4 | I212 Q213 A218 F219 D220 | I212-L216 HydrophobicContact CG2-CD1 4.31Å; I212-L216 HydrophobicContact CG2-CG 4.26Å; I212-L216 PolarHBondContact O-N 3.24Å; I212-L216 VanDerWaalsContact O-N 3.17Å; Q213-L216 PolarHBondContact O-N 2.92Å; Q213-L216 VanDerWaalsContact O-N 3.11Å; L216-A218 PolarHBondContact O-N 3.07Å; L216-F219 WeakPolarHBondContact O-CA 3.21Å; L216-F219 WeakPolarHBondContact O-CB 3.42Å; L216-F219 PolarHBondContact O-N 3.43Å; L216-D220 PolarHBondContact O-N 2.95Å |
| 217 | E | 82.9 | Confident | 77 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 175.5 | -71.4 | 176.3 | -179.5 | 0 | 0 | 112.4 | Q213 K221 | Q213-E217 HydrophobicContact CG-CG 4.29Å; Q213-E217 PolarHBondContact NE2-OE1 3.32Å; Q213-E217 WeakPolarHBondContact O-CG 3.49Å; Q213-E217 PolarHBondContact O-N 2.85Å; E217-K221 VanDerWaalsContact O-CB 3.3Å; E217-K221 WeakPolarHBondContact O-CB 3.36Å; E217-K221 PolarHBondContact O-N 3.12Å |
| 218 | A | 79.3 | Confident | 76.6 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P214 I215 L216 A222 I244 L247 | P214-A218 WeakPolarHBondContact O-CB 3.35Å; P214-A218 PolarHBondContact O-N 3.44Å; I215-A218 WeakPolarHBondContact O-CB 3.45Å; I215-A218 PolarHBondContact O-N 3.45Å; L216-A218 PolarHBondContact O-N 3.07Å; A218-A222 WeakPolarHBondContact O-CB 3.34Å; A218-A222 PolarHBondContact O-N 2.95Å; A218-A222 VanDerWaalsContact O-N 3.07Å; A218-I244 HydrophobicContact CB-CG1 3.88Å; A218-L247 HydrophobicContact CB-CD1 3.7Å |
| 219 | F | 74.5 | Confident | 75.9 | Confident | 97 Ų | 97 | 64.1 Ų | 64.1 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -51.8 | 169.9 | -85.4 | -74.6 | 0 | 0 | 0 | 111.2 | I215 L216 K221 A222 V223 I244 | I215-F219 HydrophobicContact CG2-CD2 4.15Å; I215-F219 HydrophobicContact CG2-CE2 3.98Å; I215-F219 WeakPolarHBondContact O-CD2 3.3Å; I215-F219 PolarHBondContact O-N 3.34Å; I215-F219 VanDerWaalsContact O-N 3.1Å; L216-F219 WeakPolarHBondContact O-CA 3.21Å; L216-F219 WeakPolarHBondContact O-CB 3.42Å; L216-F219 PolarHBondContact O-N 3.43Å; F219-K221 VanDerWaalsContact C-N 3.26Å; F219-K221 PolarHBondContact O-N 2.9Å; F219-A222 PolarHBondContact O-N 3.11Å; F219-V223 WeakPolarHBondContact O-CG2 3.18Å; F219-V223 PolarHBondContact O-N 3.04Å; F219-V223 VanDerWaalsContact O-N 3.09Å; F219-I244 HydrophobicContact CD1-CD1 3.96Å; F219-I244 HydrophobicContact CD2-CG2 3.96Å; F219-I244 HydrophobicContact CE1-CD1 4.21Å; F219-I244 HydrophobicContact CE1-CG2 4.08Å; F219-I244 HydrophobicContact CE2-CG2 3.46Å; F219-I244 VanDerWaalsContact CE2-CG2 3.46Å; F219-I244 HydrophobicContact CG-CD1 4.24Å; F219-I244 HydrophobicContact CG-CG2 4.47Å; F219-I244 HydrophobicContact CZ-CG2 3.53Å |
| 220 | D | 75 | Confident | 74.9 | Confident | 111 Ų | 111 | 66.1 Ų | 66.1 | 59% | 0.594 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -55 | -43.2 | 178.6 | -76.5 | -16.3 | 0 | 0 | 0 | 111.5 | L216 V223 S224 | L216-D220 PolarHBondContact O-N 2.95Å; D220-V223 CarbonylContact O-C 3.59Å; D220-V223 WeakPolarHBondContact O-CG2 3.43Å; D220-V223 PolarHBondContact O-N 3.42Å; D220-S224 WeakPolarHBondContact O-CB 3.46Å; D220-S224 PolarHBondContact O-N 3.21Å |
| 221 | K | 80.9 | Confident | 73.5 | Confident | 155 Ų | 155 | 63.6 Ų | 63.6 | 67% | 0.674 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 177 | -175.2 | 178 | 178.2 | -178 | 0 | 112.3 | E217 F219 V223 S224 | E217-K221 VanDerWaalsContact O-CB 3.3Å; E217-K221 WeakPolarHBondContact O-CB 3.36Å; E217-K221 PolarHBondContact O-N 3.12Å; F219-K221 VanDerWaalsContact C-N 3.26Å; F219-K221 PolarHBondContact O-N 2.9Å; K221-V223 PolarHBondContact O-N 3.25Å; K221-S224 PolarHBondContact O-N 2.8Å; K221-S224 VanDerWaalsContact O-N 3.15Å; K221-S224 PolarHBondContact O-OG 3.26Å |
| 222 | A | 73.8 | Confident | 72.2 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A218 F219 S227 V236 E240 I244 | A218-A222 WeakPolarHBondContact O-CB 3.34Å; A218-A222 PolarHBondContact O-N 2.95Å; A218-A222 VanDerWaalsContact O-N 3.07Å; F219-A222 PolarHBondContact O-N 3.11Å; A222-S227 WeakPolarHBondContact O-CB 3.33Å; A222-S227 PolarHBondContact O-OG 3.12Å; A222-V236 HydrophobicContact CB-CG1 4.01Å; A222-V236 HydrophobicContact CB-CG2 4Å; A222-E240 HydrophobicContact CB-CB 4.19Å; A222-I244 HydrophobicContact CB-CD1 3.89Å |
| 223 | V | 71.2 | Confident | 71 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 38% | 0.382 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 16.5 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 113.3 | F219 D220 K221 G233 V236 | F219-V223 WeakPolarHBondContact O-CG2 3.18Å; F219-V223 PolarHBondContact O-N 3.04Å; F219-V223 VanDerWaalsContact O-N 3.09Å; D220-V223 CarbonylContact O-C 3.59Å; D220-V223 WeakPolarHBondContact O-CG2 3.43Å; D220-V223 PolarHBondContact O-N 3.42Å; K221-V223 PolarHBondContact O-N 3.25Å; V223-G233 WeakPolarHBondContact CB-O 3.35Å; V223-G233 WeakPolarHBondContact O-CA 3.45Å; V223-V236 HydrophobicContact CG1-CG2 3.9Å |
| 224 | S | 73.6 | Confident | 70.1 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 33% | 0.329 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -88.5 | 152.8 | 177.1 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | D220 K221 G226 S227 | D220-S224 WeakPolarHBondContact O-CB 3.46Å; D220-S224 PolarHBondContact O-N 3.21Å; K221-S224 PolarHBondContact O-N 2.8Å; K221-S224 VanDerWaalsContact O-N 3.15Å; K221-S224 PolarHBondContact O-OG 3.26Å; S224-G226 PolarHBondContact O-N 2.79Å; S224-S227 WeakPolarHBondContact O-CB 3.46Å; S224-S227 PolarHBondContact O-N 3.36Å; S224-S227 VanDerWaalsContact O-N 3.1Å; S224-S227 PolarHBondContact O-OG 3.25Å |
| 225 | D | 70.4 | Confident | 69.3 | Low | 118 Ų | 118 | 74.6 Ų | 74.6 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 121.5 | 169.3 | -83.8 | 12.9 | 0 | 0 | 0 | 110.1 | N232 | D225-N232 VanDerWaalsContact OD1-C 3.3Å; D225-N232 WeakPolarHBondContact OD1-CA 3.42Å; D225-N232 WeakPolarHBondContact OD1-CB 3.42Å |
| 226 | G | 73.4 | Confident | 68.8 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 85% | 0.845 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | 7.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S224 | S224-G226 PolarHBondContact O-N 2.79Š|
| 227 | S | 73.8 | Confident | 68.8 | Low | 16 Ų | 16 | 74.9 Ų | 74.9 | 11% | 0.112 | 44% | 0.436 | C | S | . | . | trans | -62.3 | 161.9 | 169.6 | 75.9 | 0 | 0 | 0 | 0 | 112.6 | A222 S224 G229 G230 E240 | A222-S227 WeakPolarHBondContact O-CB 3.33Å; A222-S227 PolarHBondContact O-OG 3.12Å; S224-S227 WeakPolarHBondContact O-CB 3.46Å; S224-S227 PolarHBondContact O-N 3.36Å; S224-S227 VanDerWaalsContact O-N 3.1Å; S224-S227 PolarHBondContact O-OG 3.25Å; S227-G229 PolarHBondContact O-N 3.36Å; S227-G230 PolarHBondContact O-N 2.73Å; S227-E240 WeakPolarHBondContact CB-OE1 3.28Å | ||
| 228 | E | 70.6 | Confident | 68.7 | Low | 126 Ų | 126 | 77.6 Ų | 77.6 | 59% | 0.589 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24 | 178.6 | -72.3 | -175.7 | -175.9 | 0 | 0 | 111 | G230 T237 K239 E240 | E228-G230 PolarHBondContact O-N 2.88Å; E228-T237 VanDerWaalsContact C-CG2 3.49Å; E228-T237 HydrophobicContact CB-CG2 4.05Å; E228-K239 IonicContact OE1-NZ 2.77Å; E228-K239 PolarHBondContact OE1-NZ 3.29Å; E228-K239 WeakPolarHBondContact OE2-CD 3.42Å; E228-K239 IonicContact OE2-NZ 2.85Å; E228-K239 PolarHBondContact OE2-NZ 2.9Å; E228-E240 PolarHBondContact N-OE1 2.99Å |
| 229 | G | 62.3 | Low | 69 | Low | 18 Ų | 18 | 82.7 Ų | 82.7 | 19% | 0.186 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | S227 N231 T237 E240 | S227-G229 PolarHBondContact O-N 3.36Å; G229-N231 PolarHBondContact O-N 3.49Å; G229-T237 VanDerWaalsContact CA-CG2 3.42Å; G229-T237 VanDerWaalsContact N-CG2 3.34Å; G229-E240 PolarHBondContact N-OE2 2.86Å |
| 230 | G | 51.3 | Low | 69.2 | Low | 60 Ų | 60 | 79.7 Ų | 79.7 | 62% | 0.619 | 45% | 0.452 | S | S | * | . | trans | 66.9 | 29 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | S227 E228 | S227-G230 PolarHBondContact O-N 2.73Å; E228-G230 PolarHBondContact O-N 2.88Å | ||
| 231 | N | 53.7 | Low | 69.4 | Low | 83 Ų | 83 | 79.1 Ų | 79.1 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -146.8 | 54.2 | -174.4 | -135 | 5.6 | 0 | 0 | 0 | 116.3 | G229 G233 L234 D235 | G229-N231 PolarHBondContact O-N 3.49Å; N231-G233 PolarHBondContact O-N 3.05Å; N231-L234 PolarHBondContact O-N 3.49Å; N231-D235 HydrophobicContact CB-CB 4.3Å; N231-D235 PolarHBondContact ND2-OD2 3.44Å |
| 232 | N | 55.3 | Low | 69.5 | Low | 129 Ų | 129 | 76.3 Ų | 76.3 | 69% | 0.69 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.7 | 38.4 | 179.8 | -69 | 2.5 | 0 | 0 | 0 | 114.3 | D225 | D225-N232 VanDerWaalsContact OD1-C 3.3Å; D225-N232 WeakPolarHBondContact OD1-CA 3.42Å; D225-N232 WeakPolarHBondContact OD1-CB 3.42Å |
| 233 | G | 55 | Low | 70 | Confident | 16 Ų | 16 | 77.6 Ų | 77.6 | 17% | 0.165 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 9.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | V223 N231 | V223-G233 WeakPolarHBondContact CB-O 3.35Å; V223-G233 WeakPolarHBondContact O-CA 3.45Å; N231-G233 PolarHBondContact O-N 3.05Å |
| 234 | L | 59.8 | Low | 70.4 | Confident | 147 Ų | 147 | 75 Ų | 75 | 77% | 0.77 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -94.5 | -18.6 | -178.4 | -63.7 | 176.1 | 0 | 0 | 0 | 114.9 | N231 | N231-L234 PolarHBondContact O-N 3.49Š|
| 235 | D | 62.3 | Low | 70.6 | Confident | 83 Ų | 83 | 78.9 Ų | 78.9 | 44% | 0.444 | 45% | 0.445 | S | S | . | . | trans | -126.2 | 143 | -175.6 | -71.8 | -50 | 0 | 0 | 0 | 111.7 | N231 | N231-D235 HydrophobicContact CB-CB 4.3Å; N231-D235 PolarHBondContact ND2-OD2 3.44Å | ||
| 236 | V | 67 | Low | 71.5 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | trans | -117 | 126.8 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | A222 V223 E240 L241 | A222-V236 HydrophobicContact CB-CG1 4.01Å; A222-V236 HydrophobicContact CB-CG2 4Å; V223-V236 HydrophobicContact CG1-CG2 3.9Å; V236-E240 HydrophobicContact CG1-CB 3.79Å; V236-L241 HydrophobicContact CG1-CB 4.15Å | ||
| 237 | T | 79.3 | Confident | 72.1 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 23% | 0.227 | 42% | 0.424 | C | S | . | . | trans | -69.1 | 157.8 | 176.7 | 63 | 0 | 0 | 0 | 0 | 111.8 | E228 G229 K239 E240 L241 | E228-T237 VanDerWaalsContact C-CG2 3.49Å; E228-T237 HydrophobicContact CB-CG2 4.05Å; G229-T237 VanDerWaalsContact CA-CG2 3.42Å; G229-T237 VanDerWaalsContact N-CG2 3.34Å; T237-K239 PolarHBondContact O-N 3.42Å; T237-E240 WeakPolarHBondContact CB-OE2 3.44Å; T237-E240 WeakPolarHBondContact CG2-OE2 3Å; T237-E240 PolarHBondContact N-OE2 3.32Å; T237-E240 PolarHBondContact O-N 3.45Å; T237-E240 WeakPolarHBondContact OG1-CB 3.37Å; T237-E240 VanDerWaalsContact OG1-CD 3.27Å; T237-E240 WeakPolarHBondContact OG1-CG 3.32Å; T237-E240 PolarHBondContact OG1-N 3.42Å; T237-E240 PolarHBondContact OG1-OE2 3.24Å; T237-L241 WeakPolarHBondContact O-CB 3.15Å; T237-L241 PolarHBondContact O-N 2.81Å | ||
| 238 | K | 80.6 | Confident | 72.4 | Confident | 160 Ų | 160 | 83 Ų | 83 | 70% | 0.696 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -55.4 | -38.8 | 172.1 | -174.4 | 176 | 175.3 | -176.1 | 0 | 112.4 | L241 E242 | K238-L241 PolarHBondContact O-N 2.93Å; K238-E242 WeakPolarHBondContact CE-OE1 3.23Å; K238-E242 WeakPolarHBondContact O-CB 3.12Å; K238-E242 VanDerWaalsContact O-CG 3.26Å; K238-E242 WeakPolarHBondContact O-CG 3.41Å; K238-E242 PolarHBondContact O-N 3.43Å |
| 239 | K | 84.5 | Confident | 73.1 | Confident | 127 Ų | 127 | 81 Ų | 81 | 55% | 0.552 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.9 | -43.2 | 178.5 | 178.4 | -178.8 | 158.5 | -146.2 | 0 | 112 | E228 T237 E242 G243 | E228-K239 IonicContact OE1-NZ 2.77Å; E228-K239 PolarHBondContact OE1-NZ 3.29Å; E228-K239 WeakPolarHBondContact OE2-CD 3.42Å; E228-K239 IonicContact OE2-NZ 2.85Å; E228-K239 PolarHBondContact OE2-NZ 2.9Å; T237-K239 PolarHBondContact O-N 3.42Å; K239-E242 PolarHBondContact O-N 3.27Å; K239-G243 PolarHBondContact O-N 2.76Å |
| 240 | E | 79.2 | Confident | 74.4 | Confident | 33 Ų | 33 | 86.8 Ų | 86.8 | 15% | 0.154 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 173.9 | -74.4 | 161 | 148.6 | 0 | 0 | 111.1 | A222 S227 E228 G229 V236 T237 E242 G243 I244 | A222-E240 HydrophobicContact CB-CB 4.19Å; S227-E240 WeakPolarHBondContact CB-OE1 3.28Å; E228-E240 PolarHBondContact N-OE1 2.99Å; G229-E240 PolarHBondContact N-OE2 2.86Å; V236-E240 HydrophobicContact CG1-CB 3.79Å; T237-E240 WeakPolarHBondContact CB-OE2 3.44Å; T237-E240 WeakPolarHBondContact CG2-OE2 3Å; T237-E240 PolarHBondContact N-OE2 3.32Å; T237-E240 PolarHBondContact O-N 3.45Å; T237-E240 WeakPolarHBondContact OG1-CB 3.37Å; T237-E240 VanDerWaalsContact OG1-CD 3.27Å; T237-E240 WeakPolarHBondContact OG1-CG 3.32Å; T237-E240 PolarHBondContact OG1-N 3.42Å; T237-E240 PolarHBondContact OG1-OE2 3.24Å; E240-E242 PolarHBondContact O-N 2.99Å; E240-G243 PolarHBondContact O-N 3.41Å; E240-I244 WeakPolarHBondContact O-CG1 3.32Å; E240-I244 PolarHBondContact O-N 3.26Å |
| 241 | L | 80.1 | Confident | 76 | Confident | 99 Ų | 99 | 84.7 Ų | 84.7 | 52% | 0.518 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 176.6 | -175.7 | 62.9 | 0 | 0 | 0 | 112.5 | V236 T237 K238 I244 K245 | V236-L241 HydrophobicContact CG1-CB 4.15Å; T237-L241 WeakPolarHBondContact O-CB 3.15Å; T237-L241 PolarHBondContact O-N 2.81Å; K238-L241 PolarHBondContact O-N 2.93Å; L241-I244 PolarHBondContact O-N 3.18Å; L241-K245 WeakPolarHBondContact O-CB 3.49Å; L241-K245 PolarHBondContact O-N 2.94Å |
| 242 | E | 83.3 | Confident | 77.4 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 45% | 0.453 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 173.9 | -77.8 | 170 | 179.6 | 0 | 0 | 111.1 | K238 K239 E240 I244 K245 E246 | K238-E242 WeakPolarHBondContact CE-OE1 3.23Å; K238-E242 WeakPolarHBondContact O-CB 3.12Å; K238-E242 VanDerWaalsContact O-CG 3.26Å; K238-E242 WeakPolarHBondContact O-CG 3.41Å; K238-E242 PolarHBondContact O-N 3.43Å; K239-E242 PolarHBondContact O-N 3.27Å; E240-E242 PolarHBondContact O-N 2.99Å; E242-I244 PolarHBondContact O-N 3.47Å; E242-K245 WeakPolarHBondContact O-CB 3.33Å; E242-K245 PolarHBondContact O-N 3.13Å; E242-E246 WeakPolarHBondContact O-CG 3.46Å; E242-E246 PolarHBondContact O-N 3.25Å |
| 243 | G | 84.2 | Confident | 78.7 | Confident | 29 Ų | 29 | 80 Ų | 80 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K239 E240 K245 E246 L247 | K239-G243 PolarHBondContact O-N 2.76Å; E240-G243 PolarHBondContact O-N 3.41Å; G243-K245 VanDerWaalsContact C-N 3.32Å; G243-K245 PolarHBondContact O-N 3.41Å; G243-E246 PolarHBondContact O-N 3.42Å; G243-L247 WeakPolarHBondContact O-CB 3.37Å; G243-L247 WeakPolarHBondContact O-CG 3.15Å; G243-L247 PolarHBondContact O-N 3.4Å |
| 244 | I | 78.6 | Confident | 80.2 | Confident | 9 Ų | 9 | 82.2 Ų | 82.2 | 5% | 0.046 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 173.8 | -70.5 | 165.4 | 0 | 0 | 0 | 110.5 | A218 F219 A222 E240 L241 E242 L247 K248 | A218-I244 HydrophobicContact CB-CG1 3.88Å; F219-I244 HydrophobicContact CD1-CD1 3.96Å; F219-I244 HydrophobicContact CD2-CG2 3.96Å; F219-I244 HydrophobicContact CE1-CD1 4.21Å; F219-I244 HydrophobicContact CE1-CG2 4.08Å; F219-I244 HydrophobicContact CE2-CG2 3.46Å; F219-I244 VanDerWaalsContact CE2-CG2 3.46Å; F219-I244 HydrophobicContact CG-CD1 4.24Å; F219-I244 HydrophobicContact CG-CG2 4.47Å; F219-I244 HydrophobicContact CZ-CG2 3.53Å; A222-I244 HydrophobicContact CB-CD1 3.89Å; E240-I244 WeakPolarHBondContact O-CG1 3.32Å; E240-I244 PolarHBondContact O-N 3.26Å; L241-I244 PolarHBondContact O-N 3.18Å; E242-I244 PolarHBondContact O-N 3.47Å; I244-L247 PolarHBondContact O-N 3.41Å; I244-K248 VanDerWaalsContact O-CB 3.27Å; I244-K248 WeakPolarHBondContact O-CB 3.31Å; I244-K248 PolarHBondContact O-N 3.05Å |
| 245 | K | 78.5 | Confident | 81.3 | Confident | 128 Ų | 128 | 76.6 Ų | 76.6 | 56% | 0.557 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 178.8 | -173.9 | -177.8 | 175.8 | -171.6 | 0 | 111.9 | L241 E242 G243 K248 D249 | L241-K245 WeakPolarHBondContact O-CB 3.49Å; L241-K245 PolarHBondContact O-N 2.94Å; E242-K245 WeakPolarHBondContact O-CB 3.33Å; E242-K245 PolarHBondContact O-N 3.13Å; G243-K245 VanDerWaalsContact C-N 3.32Å; G243-K245 PolarHBondContact O-N 3.41Å; K245-K248 WeakPolarHBondContact O-CB 3.24Å; K245-K248 PolarHBondContact O-N 2.95Å; K245-D249 WeakPolarHBondContact O-CB 3.28Å; K245-D249 VanDerWaalsContact O-CG 3.31Å; K245-D249 PolarHBondContact O-N 2.95Å |
| 246 | E | 89 | Confident | 82.2 | Confident | 145 Ų | 145 | 74.3 Ų | 74.3 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 175.9 | -72.3 | -178.9 | -180 | 0 | 0 | 111.9 | E242 G243 D249 K250 | E242-E246 WeakPolarHBondContact O-CG 3.46Å; E242-E246 PolarHBondContact O-N 3.25Å; G243-E246 PolarHBondContact O-N 3.42Å; E246-D249 PolarHBondContact O-N 2.95Å; E246-K250 WeakPolarHBondContact O-CB 3.47Å; E246-K250 PolarHBondContact O-N 3.4Å |
| 247 | L | 86.1 | Confident | 83.1 | Confident | 67 Ų | 67 | 76.9 Ų | 76.9 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.9 | -79.7 | 171.5 | 0 | 0 | 0 | 111.5 | A218 G243 I244 N251 | A218-L247 HydrophobicContact CB-CD1 3.7Å; G243-L247 WeakPolarHBondContact O-CB 3.37Å; G243-L247 WeakPolarHBondContact O-CG 3.15Å; G243-L247 PolarHBondContact O-N 3.4Å; I244-L247 PolarHBondContact O-N 3.41Å; L247-N251 WeakPolarHBondContact O-CB 3.45Å; L247-N251 PolarHBondContact O-N 3.29Å; L247-N251 PolarHBondContact O-ND2 2.85Å |
| 248 | K | 80.8 | Confident | 83.2 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.4 | -54.4 | 177.2 | 176 | -142.1 | 163.5 | -159.2 | 0 | 110.8 | I215 I244 K245 K250 N251 L252 | I215-K248 HydrophobicContact CD1-CB 4.33Å; I215-K248 HydrophobicContact CD1-CG 4.49Å; I215-K248 HydrophobicContact CG2-CB 4.29Å; I244-K248 VanDerWaalsContact O-CB 3.27Å; I244-K248 WeakPolarHBondContact O-CB 3.31Å; I244-K248 PolarHBondContact O-N 3.05Å; K245-K248 WeakPolarHBondContact O-CB 3.24Å; K245-K248 PolarHBondContact O-N 2.95Å; K248-K250 VanDerWaalsContact C-N 3.33Å; K248-K250 PolarHBondContact O-N 2.94Å; K248-N251 PolarHBondContact O-N 3.39Å; K248-L252 HydrophobicContact CD-CD1 4.25Å; K248-L252 HydrophobicContact CG-CD1 3.66Å; K248-L252 HydrophobicContact CG-CG 4.18Å; K248-L252 VanDerWaalsContact O-CB 3.3Å; K248-L252 WeakPolarHBondContact O-CB 3.21Å; K248-L252 VanDerWaalsContact O-CG 3.29Å; K248-L252 WeakPolarHBondContact O-CG 3.44Å; K248-L252 PolarHBondContact O-N 3.04Å |
| 249 | D | 84.9 | Confident | 83.3 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | -175 | -68.5 | -15.7 | 0 | 0 | 0 | 110.9 | K245 E246 A253 | K245-D249 WeakPolarHBondContact O-CB 3.28Å; K245-D249 VanDerWaalsContact O-CG 3.31Å; K245-D249 PolarHBondContact O-N 2.95Å; E246-D249 PolarHBondContact O-N 2.95Å; D249-A253 WeakPolarHBondContact O-CB 3.45Å; D249-A253 PolarHBondContact O-N 3.49Å |
| 250 | K | 90.1 | Very high | 83.1 | Confident | 141 Ų | 141 | 70.8 Ų | 70.8 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.7 | -50.7 | 175.2 | -179.4 | -177 | 177.1 | -176.2 | 0 | 112.5 | E246 K248 A253 L254 | E246-K250 WeakPolarHBondContact O-CB 3.47Å; E246-K250 PolarHBondContact O-N 3.4Å; K248-K250 VanDerWaalsContact C-N 3.33Å; K248-K250 PolarHBondContact O-N 2.94Å; K250-A253 PolarHBondContact O-N 3.39Å; K250-L254 HydrophobicContact CG-CD1 4.38Å; K250-L254 WeakPolarHBondContact O-CG 2.95Å; K250-L254 PolarHBondContact O-N 3.04Å |
| 251 | N | 83.1 | Confident | 83.1 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 9% | 0.086 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.7 | -35.9 | -173.2 | -78.3 | -54.3 | 0 | 0 | 0 | 112.5 | Y211 I215 L247 K248 A253 L254 F255 | Y211-N251 WeakPolarHBondContact O-CB 3.37Å; Y211-N251 VanDerWaalsContact O-CG 3.29Å; I215-N251 HydrophobicContact CD1-CB 3.99Å; I215-N251 HydrophobicContact CG1-CB 4.19Å; L247-N251 WeakPolarHBondContact O-CB 3.45Å; L247-N251 PolarHBondContact O-N 3.29Å; L247-N251 PolarHBondContact O-ND2 2.85Å; K248-N251 PolarHBondContact O-N 3.39Å; N251-A253 VanDerWaalsContact C-N 3.32Å; N251-A253 PolarHBondContact O-N 2.83Å; N251-L254 PolarHBondContact O-N 3.1Å; N251-F255 WeakPolarHBondContact O-CB 3.07Å; N251-F255 PolarHBondContact O-N 2.96Å |
| 252 | L | 82.9 | Confident | 83.1 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 29% | 0.288 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 174.5 | -70.3 | -177.3 | 0 | 0 | 0 | 111.9 | I212 I215 K248 F255 N256 | I212-L252 HydrophobicContact CD1-CD2 3.5Å; I215-L252 HydrophobicContact CD1-CG 4.46Å; K248-L252 HydrophobicContact CD-CD1 4.25Å; K248-L252 HydrophobicContact CG-CD1 3.66Å; K248-L252 HydrophobicContact CG-CG 4.18Å; K248-L252 VanDerWaalsContact O-CB 3.3Å; K248-L252 WeakPolarHBondContact O-CB 3.21Å; K248-L252 VanDerWaalsContact O-CG 3.29Å; K248-L252 WeakPolarHBondContact O-CG 3.44Å; K248-L252 PolarHBondContact O-N 3.04Å; L252-F255 PolarHBondContact O-N 3.47Å; L252-N256 VanDerWaalsContact O-CB 3.27Å; L252-N256 WeakPolarHBondContact O-CB 3.35Å; L252-N256 PolarHBondContact O-N 2.95Å |
| 253 | A | 83.9 | Confident | 82.8 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D249 K250 N251 N256 E257 | D249-A253 WeakPolarHBondContact O-CB 3.45Å; D249-A253 PolarHBondContact O-N 3.49Å; K250-A253 PolarHBondContact O-N 3.39Å; N251-A253 VanDerWaalsContact C-N 3.32Å; N251-A253 PolarHBondContact O-N 2.83Å; A253-N256 PolarHBondContact O-N 3.14Å; A253-E257 PolarHBondContact O-N 2.95Å |
| 254 | L | 86.3 | Confident | 82.5 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 176.9 | -69.7 | 172.3 | 0 | 0 | 0 | 112.7 | Y211 K250 N251 Y258 | Y211-L254 HydrophobicContact CD1-CB 3.81Å; Y211-L254 HydrophobicContact CD1-CD1 4.38Å; Y211-L254 HydrophobicContact CE1-CB 3.73Å; Y211-L254 HydrophobicContact CE1-CD1 4.25Å; Y211-L254 HydrophobicContact CG-CB 4.47Å; K250-L254 HydrophobicContact CG-CD1 4.38Å; K250-L254 WeakPolarHBondContact O-CG 2.95Å; K250-L254 PolarHBondContact O-N 3.04Å; N251-L254 PolarHBondContact O-N 3.1Å; L254-Y258 WeakPolarHBondContact O-CB 3.42Å; L254-Y258 PolarHBondContact O-N 3.49Å |
| 255 | F | 83.3 | Confident | 82.4 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 174.7 | 179.1 | -84.8 | 0 | 0 | 0 | 110.9 | M204 A207 Y211 I212 N251 L252 Y258 A259 | M204-F255 HydrophobicContact SD-CZ 4.13Å; A207-F255 HydrophobicContact CB-CD2 3.76Å; A207-F255 HydrophobicContact CB-CE2 3.65Å; Y211-F255 HydrophobicContact CD2-CB 3.97Å; Y211-F255 HydrophobicContact CD2-CD2 4.07Å; Y211-F255 HydrophobicContact CD2-CG 4.48Å; Y211-F255 HydrophobicContact CG-CB 4.2Å; I212-F255 HydrophobicContact CD1-CD2 4.47Å; I212-F255 HydrophobicContact CG1-CD2 4.33Å; N251-F255 WeakPolarHBondContact O-CB 3.07Å; N251-F255 PolarHBondContact O-N 2.96Å; L252-F255 PolarHBondContact O-N 3.47Å; F255-Y258 PolarHBondContact O-N 2.97Å; F255-A259 HydrophobicContact CE1-CB 4.44Å; F255-A259 WeakPolarHBondContact O-CB 3.19Å; F255-A259 PolarHBondContact O-N 3.41Å |
| 256 | N | 81.6 | Confident | 82.3 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 19% | 0.193 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 179.6 | -179.8 | 55.7 | 0 | 0 | 0 | 112 | V8 L252 A253 A259 K260 | V8-N256 HydrophobicContact CG1-CB 4.24Å; V8-N256 VanDerWaalsContact CG2-ND2 3.29Å; V8-N256 WeakPolarHBondContact CG2-ND2 3.22Å; L252-N256 VanDerWaalsContact O-CB 3.27Å; L252-N256 WeakPolarHBondContact O-CB 3.35Å; L252-N256 PolarHBondContact O-N 2.95Å; A253-N256 PolarHBondContact O-N 3.14Å; N256-A259 PolarHBondContact O-N 3.25Å; N256-K260 WeakPolarHBondContact O-CB 3.42Å; N256-K260 WeakPolarHBondContact O-CG 3.43Å; N256-K260 PolarHBondContact O-N 3.17Å |
| 257 | E | 84.2 | Confident | 81.5 | Confident | 113 Ų | 113 | 70.9 Ų | 70.9 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 174.8 | -173.9 | -174.4 | 161.7 | 0 | 0 | 111.5 | A253 A259 K260 N261 | A253-E257 PolarHBondContact O-N 2.95Å; E257-A259 PolarHBondContact O-N 2.91Å; E257-K260 PolarHBondContact O-N 3.22Å; E257-N261 WeakPolarHBondContact O-CB 3.34Å; E257-N261 VanDerWaalsContact O-CG 3.28Å; E257-N261 PolarHBondContact O-N 3.45Å; E257-N261 PolarHBondContact O-ND2 2.94Å |
| 258 | Y | 81.6 | Confident | 80.7 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 29% | 0.286 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.3 | 179.2 | -86.7 | 0 | 0 | 0 | 111.9 | L203 M204 A207 Y211 L254 F255 L262 | L203-Y258 HydrophobicContact CB-CE1 4.44Å; L203-Y258 WeakPolarHBondContact O-CE1 3.38Å; M204-Y258 HydrophobicContact CE-CD1 3.46Å; M204-Y258 VanDerWaalsContact CE-CD1 3.46Å; M204-Y258 HydrophobicContact CE-CE1 3.43Å; M204-Y258 VanDerWaalsContact CE-CE1 3.43Å; A207-Y258 HydrophobicContact CB-CD1 3.47Å; A207-Y258 VanDerWaalsContact CB-CD1 3.47Å; A207-Y258 HydrophobicContact CB-CE1 3.59Å; A207-Y258 HydrophobicContact CB-CG 4.35Å; Y211-Y258 HydrophobicContact CE2-CD2 4.45Å; Y211-Y258 HydrophobicContact CE2-CG 4.08Å; L254-Y258 WeakPolarHBondContact O-CB 3.42Å; L254-Y258 PolarHBondContact O-N 3.49Å; F255-Y258 PolarHBondContact O-N 2.97Å; Y258-L262 VanDerWaalsContact O-CB 3.29Å; Y258-L262 WeakPolarHBondContact O-CB 3.41Å; Y258-L262 PolarHBondContact O-N 3.47Å |
| 259 | A | 82.5 | Confident | 79.8 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 11% | 0.107 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M204 F255 N256 E257 L262 M263 | M204-A259 HydrophobicContact CE-CB 4.01Å; M204-A259 HydrophobicContact SD-CB 3.59Å; M204-A259 VanDerWaalsContact SD-CB 3.59Å; F255-A259 HydrophobicContact CE1-CB 4.44Å; F255-A259 WeakPolarHBondContact O-CB 3.19Å; F255-A259 PolarHBondContact O-N 3.41Å; N256-A259 PolarHBondContact O-N 3.25Å; E257-A259 PolarHBondContact O-N 2.91Å; A259-L262 WeakPolarHBondContact O-CB 3.41Å; A259-L262 PolarHBondContact O-N 3.26Å; A259-M263 WeakPolarHBondContact O-CG 3.38Å; A259-M263 PolarHBondContact O-N 2.94Å |
| 260 | K | 81.1 | Confident | 78.5 | Confident | 110 Ų | 110 | 74 Ų | 74 | 48% | 0.478 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -51.7 | 176.3 | -74.4 | -177.9 | 178 | -170.6 | 0 | 111.7 | N256 E257 L262 M263 D264 | N256-K260 WeakPolarHBondContact O-CB 3.42Å; N256-K260 WeakPolarHBondContact O-CG 3.43Å; N256-K260 PolarHBondContact O-N 3.17Å; E257-K260 PolarHBondContact O-N 3.22Å; K260-L262 PolarHBondContact O-N 2.77Å; K260-M263 PolarHBondContact O-N 2.83Å; K260-M263 VanDerWaalsContact O-N 3.11Å; K260-D264 WeakPolarHBondContact O-CB 3.13Å; K260-D264 VanDerWaalsContact O-CG 3.27Å; K260-D264 PolarHBondContact O-N 2.73Å |
| 261 | N | 80.1 | Confident | 76.7 | Confident | 86 Ų | 86 | 74 Ų | 74 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.6 | -38.1 | 177.9 | -72.9 | -25 | 0 | 0 | 0 | 111.8 | E257 V265 | E257-N261 WeakPolarHBondContact O-CB 3.34Å; E257-N261 VanDerWaalsContact O-CG 3.28Å; E257-N261 PolarHBondContact O-N 3.45Å; E257-N261 PolarHBondContact O-ND2 2.94Å; N261-V265 WeakPolarHBondContact O-CB 3.29Å; N261-V265 VanDerWaalsContact O-CG2 3.25Å; N261-V265 WeakPolarHBondContact O-CG2 3.42Å; N261-V265 PolarHBondContact O-N 3.41Å |
| 262 | L | 80.1 | Confident | 74.9 | Confident | 15 Ų | 15 | 76 Ų | 76 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.6 | -52.5 | 175.4 | 175.2 | 61.3 | 0 | 0 | 0 | 111.8 | L203 M204 Y258 A259 K260 D264 V265 L266 | L203-L262 HydrophobicContact CB-CD1 4.28Å; L203-L262 HydrophobicContact CB-CD2 3.43Å; L203-L262 VanDerWaalsContact CB-CD2 3.43Å; L203-L262 HydrophobicContact CB-CG 4.48Å; L203-L262 HydrophobicContact CD1-CD1 3.26Å; L203-L262 HydrophobicContact CD1-CD2 4.01Å; L203-L262 HydrophobicContact CD1-CG 4.26Å; L203-L262 HydrophobicContact CG-CD1 4.39Å; L203-L262 HydrophobicContact CG-CD2 4.36Å; M204-L262 HydrophobicContact CE-CD2 3.52Å; Y258-L262 VanDerWaalsContact O-CB 3.29Å; Y258-L262 WeakPolarHBondContact O-CB 3.41Å; Y258-L262 PolarHBondContact O-N 3.47Å; A259-L262 WeakPolarHBondContact O-CB 3.41Å; A259-L262 PolarHBondContact O-N 3.26Å; K260-L262 PolarHBondContact O-N 2.77Å; L262-D264 PolarHBondContact O-N 3.47Å; L262-V265 PolarHBondContact O-N 3.23Å; L262-V265 VanDerWaalsContact O-N 3.14Å; L262-L266 HydrophobicContact CD1-CD1 3.8Å; L262-L266 HydrophobicContact CD1-CD2 4.4Å; L262-L266 HydrophobicContact CD1-CG 3.83Å; L262-L266 HydrophobicContact CG-CD1 3.99Å; L262-L266 HydrophobicContact CG-CG 4.31Å; L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 3.2Å |
| 263 | M | 76.9 | Confident | 73 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 28% | 0.276 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60 | -37.5 | -178.7 | -65.5 | -67.4 | -79.1 | 0 | 0 | 111.2 | T200 A259 K260 L266 N267 V268 | T200-M263 HydrophobicContact CG2-SD 3.92Å; A259-M263 WeakPolarHBondContact O-CG 3.38Å; A259-M263 PolarHBondContact O-N 2.94Å; K260-M263 PolarHBondContact O-N 2.83Å; K260-M263 VanDerWaalsContact O-N 3.11Å; M263-L266 PolarHBondContact O-N 2.94Å; M263-N267 PolarHBondContact O-N 3.4Å; M263-N267 VanDerWaalsContact O-N 3.12Å; M263-V268 HydrophobicContact CE-CB 3.63Å; M263-V268 HydrophobicContact CE-CG1 3.23Å; M263-V268 PolarHBondContact O-N 2.87Å; M263-V268 HydrophobicContact SD-CB 3.99Å; M263-V268 HydrophobicContact SD-CG1 4.14Å; M263-V268 HydrophobicContact SD-CG2 4.41Å |
| 264 | D | 77.8 | Confident | 71.1 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 65% | 0.647 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.7 | -46.5 | 174.2 | -68.7 | -23.6 | 0 | 0 | 0 | 112 | K260 L262 L266 N267 | K260-D264 WeakPolarHBondContact O-CB 3.13Å; K260-D264 VanDerWaalsContact O-CG 3.27Å; K260-D264 PolarHBondContact O-N 2.73Å; L262-D264 PolarHBondContact O-N 3.47Å; D264-L266 VanDerWaalsContact C-N 3.32Å; D264-L266 PolarHBondContact O-N 2.87Å; D264-N267 PolarHBondContact O-N 3.28Å |
| 265 | V | 76.5 | Confident | 69.3 | Low | 123 Ų | 123 | 82.6 Ų | 82.6 | 75% | 0.745 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.2 | -38.7 | 177.1 | 167.3 | 0 | 0 | 0 | 0 | 111.8 | N261 L262 N267 | N261-V265 WeakPolarHBondContact O-CB 3.29Å; N261-V265 VanDerWaalsContact O-CG2 3.25Å; N261-V265 WeakPolarHBondContact O-CG2 3.42Å; N261-V265 PolarHBondContact O-N 3.41Å; L262-V265 PolarHBondContact O-N 3.23Å; L262-V265 VanDerWaalsContact O-N 3.14Å; V265-N267 PolarHBondContact O-N 3.41Å |
| 266 | L | 75.2 | Confident | 67.5 | Low | 23 Ų | 23 | 83.8 Ų | 83.8 | 12% | 0.12 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.8 | 177 | -61.5 | -173.6 | 0 | 0 | 0 | 112.9 | N196 L199 L262 M263 D264 V268 | N196-L266 PolarHBondContact ND2-O 2.86Å; N196-L266 PolarHBondContact OD1-O 2.81Å; L199-L266 HydrophobicContact CB-CD1 4.21Å; L199-L266 HydrophobicContact CD2-CD1 4.28Å; L199-L266 HydrophobicContact CD2-CD2 3.34Å; L199-L266 HydrophobicContact CD2-CG 4.45Å; L199-L266 HydrophobicContact CG-CD1 4.08Å; L199-L266 HydrophobicContact CG-CD2 4.02Å; L262-L266 HydrophobicContact CD1-CD1 3.8Å; L262-L266 HydrophobicContact CD1-CD2 4.4Å; L262-L266 HydrophobicContact CD1-CG 3.83Å; L262-L266 HydrophobicContact CG-CD1 3.99Å; L262-L266 HydrophobicContact CG-CG 4.31Å; L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 3.2Å; M263-L266 PolarHBondContact O-N 2.94Å; D264-L266 VanDerWaalsContact C-N 3.32Å; D264-L266 PolarHBondContact O-N 2.87Å; L266-V268 HydrophobicContact CB-CG2 3.63Å; L266-V268 PolarHBondContact O-N 3.49Å |
| 267 | N | 73.6 | Confident | 66.6 | Low | 118 Ų | 118 | 84.8 Ų | 84.8 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 28.9 | -173 | -169.4 | 42.5 | 0 | 0 | 0 | 112.1 | M263 D264 V265 K269 | M263-N267 PolarHBondContact O-N 3.4Å; M263-N267 VanDerWaalsContact O-N 3.12Å; D264-N267 PolarHBondContact O-N 3.28Å; V265-N267 PolarHBondContact O-N 3.41Å; N267-K269 PolarHBondContact O-N 2.82Å |
| 268 | V | 68.1 | Low | 65.3 | Low | 34 Ų | 34 | 83.4 Ų | 83.4 | 21% | 0.206 | 49% | 0.486 | C | S | . | . | trans | -79.1 | 95.1 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 106.1 | N196 M263 L266 | N196-V268 HydrophobicContact CB-CG2 3.43Å; N196-V268 VanDerWaalsContact CB-CG2 3.43Å; N196-V268 WeakPolarHBondContact ND2-CG2 3.39Å; M263-V268 HydrophobicContact CE-CB 3.63Å; M263-V268 HydrophobicContact CE-CG1 3.23Å; M263-V268 PolarHBondContact O-N 2.87Å; M263-V268 HydrophobicContact SD-CB 3.99Å; M263-V268 HydrophobicContact SD-CG1 4.14Å; M263-V268 HydrophobicContact SD-CG2 4.41Å; L266-V268 HydrophobicContact CB-CG2 3.63Å; L266-V268 PolarHBondContact O-N 3.49Å | ||
| 269 | K | 62.2 | Low | 64.3 | Low | 158 Ų | 158 | 86.2 Ų | 86.2 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | trans | -60.1 | 140.8 | 170.6 | -63.6 | -178.7 | -176.7 | 175.4 | 0 | 107.5 | N267 T271 | N267-K269 PolarHBondContact O-N 2.82Å; K269-T271 PolarHBondContact O-N 3.37Å | ||
| 270 | P | 56.7 | Low | 63.1 | Low | 113 Ų | 113 | 90.4 Ų | 90.4 | 73% | 0.734 | 52% | 0.523 | S | S | * | . | trans | -50.3 | 124.5 | 161.2 | 22.4 | -29.9 | 0 | 0 | 0 | 105.7 | G272 | P270-G272 PolarHBondContact O-N 2.89Š| ||
| 271 | T | 53.2 | Low | 61.9 | Low | 141 Ų | 141 | 87.6 Ų | 87.6 | 87% | 0.865 | 51% | 0.511 | S | S | * | . | trans | -61.9 | 84.7 | 162.1 | 28.8 | 0 | 0 | 0 | 0 | 104.5 | K269 S273 | K269-T271 PolarHBondContact O-N 3.37Å; T271-S273 PolarHBondContact O-N 2.92Å | ||
| 272 | G | 46 | Very low | 60.9 | Low | 60 Ų | 60 | 85.3 Ų | 85.3 | 62% | 0.619 | 51% | 0.508 | S | S | * | . | trans | -50.1 | 122.6 | -175 | 0 | 0 | 0 | 0 | 0 | 105.9 | P270 S274 | P270-G272 PolarHBondContact O-N 2.89Å; G272-S274 PolarHBondContact O-N 3.2Å | ||
| 273 | S | 41.6 | Very low | 60.2 | Low | 78 Ų | 78 | 89.7 Ų | 89.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | trans | 6.1 | 93 | 174.1 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | T271 N275 | T271-S273 PolarHBondContact O-N 2.92Å; S273-N275 PolarHBondContact O-N 3.29Å | ||
| 274 | S | 44.7 | Very low | 59.6 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 43% | 0.427 | 55% | 0.548 | S | S | . | . | trans | -40.4 | 126.5 | 158.5 | 52.9 | 0 | 0 | 0 | 0 | 105.2 | G272 I276 | G272-S274 PolarHBondContact O-N 3.2Å; S274-I276 CarbonylContact O-C 3.58Å; S274-I276 WeakPolarHBondContact O-CA 3.27Å; S274-I276 PolarHBondContact O-N 2.86Å; S274-I276 VanDerWaalsContact O-O 3.12Å | ||
| 275 | N | 48.1 | Very low | 59.1 | Low | 175 Ų | 175 | 90.6 Ų | 90.6 | 94% | 0.936 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -56.6 | 4.8 | -173.9 | -76.9 | -38.2 | 0 | 0 | 0 | 114 | S273 S277 | S273-N275 PolarHBondContact O-N 3.29Å; N275-S277 PolarHBondContact O-N 2.82Å |
| 276 | I | 46.2 | Very low | 58.5 | Low | 52 Ų | 52 | 87 Ų | 87 | 27% | 0.267 | 52% | 0.515 | S | S | . | . | trans | -56.6 | 110.5 | 163.1 | -57.1 | -172.2 | 0 | 0 | 0 | 108.7 | S274 Q280 Q281 | S274-I276 CarbonylContact O-C 3.58Å; S274-I276 WeakPolarHBondContact O-CA 3.27Å; S274-I276 PolarHBondContact O-N 2.86Å; S274-I276 VanDerWaalsContact O-O 3.12Å; I276-Q280 VanDerWaalsContact CA-OE1 3.31Å; I276-Q280 HydrophobicContact CB-CB 4.39Å; I276-Q280 HydrophobicContact CG2-CB 3.1Å; I276-Q280 HydrophobicContact CG2-CG 4.12Å; I276-Q281 HydrophobicContact CG2-CG 4.1Å; I276-Q281 PolarHBondContact O-NE2 2.83Å | ||
| 277 | S | 61.3 | Low | 58.2 | Low | 58 Ų | 58 | 88.8 Ų | 88.8 | 41% | 0.406 | 53% | 0.527 | S | S | . | . | trans | -51.8 | 156 | 176.6 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | N275 L279 Q280 Q281 | N275-S277 PolarHBondContact O-N 2.82Å; S277-L279 PolarHBondContact O-N 3.19Å; S277-Q280 VanDerWaalsContact N-OE1 3.14Å; S277-Q280 PolarHBondContact O-N 3.05Å; S277-Q280 PolarHBondContact OG-N 3.43Å; S277-Q280 PolarHBondContact OG-OE1 3.45Å; S277-Q281 PolarHBondContact O-N 2.76Å; S277-Q281 VanDerWaalsContact O-N 3.11Å | ||
| 278 | A | 57 | Low | 57.9 | Low | 83 Ų | 83 | 90.3 Ų | 90.3 | 69% | 0.686 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -48.9 | -31.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G282 | A278-G282 PolarHBondContact O-N 3.08Å |
| 279 | L | 61.9 | Low | 57.7 | Low | 133 Ų | 133 | 92.9 Ų | 92.9 | 70% | 0.696 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | 175.5 | -121.7 | 155.1 | 0 | 0 | 0 | 112.7 | S277 G282 I283 | S277-L279 PolarHBondContact O-N 3.19Å; L279-G282 PolarHBondContact O-N 2.78Å; L279-I283 HydrophobicContact CD2-CD1 4.45Å; L279-I283 VanDerWaalsContact O-CG1 3.27Å; L279-I283 WeakPolarHBondContact O-CG1 3.18Å; L279-I283 PolarHBondContact O-N 3.47Å; L279-I283 VanDerWaalsContact O-N 3.1Å |
| 280 | Q | 57.5 | Low | 57.8 | Low | 100 Ų | 100 | 88.5 Ų | 88.5 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.6 | -32 | 179.4 | -73.1 | 169.7 | -66.1 | 0 | 0 | 112.2 | I276 S277 I283 Q284 | I276-Q280 VanDerWaalsContact CA-OE1 3.31Å; I276-Q280 HydrophobicContact CB-CB 4.39Å; I276-Q280 HydrophobicContact CG2-CB 3.1Å; I276-Q280 HydrophobicContact CG2-CG 4.12Å; S277-Q280 VanDerWaalsContact N-OE1 3.14Å; S277-Q280 PolarHBondContact O-N 3.05Å; S277-Q280 PolarHBondContact OG-N 3.43Å; S277-Q280 PolarHBondContact OG-OE1 3.45Å; Q280-I283 PolarHBondContact O-N 3.12Å; Q280-Q284 PolarHBondContact O-N 3.05Å; Q280-Q284 VanDerWaalsContact O-N 3.08Å |
| 281 | Q | 54.4 | Low | 58.4 | Low | 51 Ų | 51 | 85.2 Ų | 85.2 | 24% | 0.238 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 170.6 | -73.8 | 172.5 | 10 | 0 | 0 | 110.7 | I276 S277 I283 Q284 S285 | I276-Q281 HydrophobicContact CG2-CG 4.1Å; I276-Q281 PolarHBondContact O-NE2 2.83Å; S277-Q281 PolarHBondContact O-N 2.76Å; S277-Q281 VanDerWaalsContact O-N 3.11Å; Q281-I283 PolarHBondContact O-N 2.96Å; Q281-Q284 PolarHBondContact O-N 3.29Å; Q281-S285 PolarHBondContact O-N 3.19Å |
| 282 | G | 59.8 | Low | 58.7 | Low | 38 Ų | 38 | 83.4 Ų | 83.4 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -26.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | A278 L279 S285 V286 | A278-G282 PolarHBondContact O-N 3.08Å; L279-G282 PolarHBondContact O-N 2.78Å; G282-S285 PolarHBondContact O-OG 3.1Å; G282-V286 WeakPolarHBondContact O-CG2 3Å |
| 283 | I | 66.5 | Low | 59.3 | Low | 108 Ų | 108 | 83 Ų | 83 | 55% | 0.554 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75 | -38.5 | 174.5 | -70.7 | 164.2 | 0 | 0 | 0 | 111.4 | L279 Q280 Q281 S285 V286 | L279-I283 HydrophobicContact CD2-CD1 4.45Å; L279-I283 VanDerWaalsContact O-CG1 3.27Å; L279-I283 WeakPolarHBondContact O-CG1 3.18Å; L279-I283 PolarHBondContact O-N 3.47Å; L279-I283 VanDerWaalsContact O-N 3.1Å; Q280-I283 PolarHBondContact O-N 3.12Å; Q281-I283 PolarHBondContact O-N 2.96Å; I283-S285 VanDerWaalsContact C-N 3.26Å; I283-S285 PolarHBondContact O-N 2.88Å; I283-V286 WeakPolarHBondContact O-CB 3.44Å; I283-V286 PolarHBondContact O-N 3.19Å; I283-V286 VanDerWaalsContact O-N 3.17Å |
| 284 | Q | 64.6 | Low | 60.6 | Low | 139 Ų | 139 | 83.1 Ų | 83.1 | 65% | 0.65 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.3 | -31 | 178.8 | -75.7 | -176.4 | -20.2 | 0 | 0 | 112.8 | Q280 Q281 V286 | Q280-Q284 PolarHBondContact O-N 3.05Å; Q280-Q284 VanDerWaalsContact O-N 3.08Å; Q281-Q284 PolarHBondContact O-N 3.29Å; Q284-V286 PolarHBondContact O-N 3.15Å |
| 285 | S | 66 | Low | 61.7 | Low | 56 Ų | 56 | 85.8 Ų | 85.8 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 4.2 | 176.4 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | Q281 G282 I283 T287 | Q281-S285 PolarHBondContact O-N 3.19Å; G282-S285 PolarHBondContact O-OG 3.1Å; I283-S285 VanDerWaalsContact C-N 3.26Å; I283-S285 PolarHBondContact O-N 2.88Å; S285-T287 PolarHBondContact O-N 3.28Å |
| 286 | V | 64.4 | Low | 62.4 | Low | 48 Ų | 48 | 81.2 Ų | 81.2 | 29% | 0.291 | 47% | 0.472 | S | S | . | . | trans | -83.7 | 111.6 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | G282 I283 Q284 T290 A291 L294 | G282-V286 WeakPolarHBondContact O-CG2 3Å; I283-V286 WeakPolarHBondContact O-CB 3.44Å; I283-V286 PolarHBondContact O-N 3.19Å; I283-V286 VanDerWaalsContact O-N 3.17Å; Q284-V286 PolarHBondContact O-N 3.15Å; V286-T290 HydrophobicContact CG1-CG2 3.76Å; V286-A291 HydrophobicContact CG1-CB 3.92Å; V286-L294 HydrophobicContact CG1-CD1 4.03Å | ||
| 287 | T | 68.5 | Low | 63.3 | Low | 61 Ų | 61 | 83 Ų | 83 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | trans | -58.6 | 155.4 | 173.1 | 75.1 | 0 | 0 | 0 | 0 | 111.4 | S285 S289 T290 A291 | S285-T287 PolarHBondContact O-N 3.28Å; T287-S289 PolarHBondContact O-N 3.11Å; T287-T290 CarbonylContact O-C 3.4Å; T287-T290 WeakPolarHBondContact O-CA 3.33Å; T287-T290 WeakPolarHBondContact O-CB 3.35Å; T287-T290 PolarHBondContact O-N 2.98Å; T287-T290 PolarHBondContact OG1-N 3.46Å; T287-T290 PolarHBondContact OG1-OG1 2.86Å; T287-A291 PolarHBondContact O-N 2.92Å | ||
| 288 | E | 67.5 | Low | 63.9 | Low | 150 Ų | 150 | 85.5 Ų | 85.5 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.1 | -38.4 | 178.8 | -170.6 | 178.1 | 178.1 | 0 | 0 | 112.5 | A291 Q292 | E288-A291 WeakPolarHBondContact O-CB 3.49Å; E288-A291 PolarHBondContact O-N 3.49Å; E288-Q292 WeakPolarHBondContact O-CG 3.22Å; E288-Q292 PolarHBondContact O-N 2.9Å |
| 289 | S | 64.8 | Low | 64.5 | Low | 87 Ų | 87 | 85 Ų | 85 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 175.1 | -179.5 | 0 | 0 | 0 | 0 | 112 | T287 A291 Q292 A293 | T287-S289 PolarHBondContact O-N 3.11Å; S289-A291 VanDerWaalsContact C-N 3.33Å; S289-Q292 PolarHBondContact O-N 3.36Å; S289-A293 PolarHBondContact O-N 2.96Å |
| 290 | T | 64 | Low | 64.8 | Low | 67 Ų | 67 | 81.1 Ų | 81.1 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 174.5 | -50.1 | 0 | 0 | 0 | 0 | 111 | V286 T287 A293 L294 | V286-T290 HydrophobicContact CG1-CG2 3.76Å; T287-T290 CarbonylContact O-C 3.4Å; T287-T290 WeakPolarHBondContact O-CA 3.33Å; T287-T290 WeakPolarHBondContact O-CB 3.35Å; T287-T290 PolarHBondContact O-N 2.98Å; T287-T290 PolarHBondContact OG1-N 3.46Å; T287-T290 PolarHBondContact OG1-OG1 2.86Å; T290-A293 PolarHBondContact O-N 3.28Å; T290-L294 HydrophobicContact CG2-CD1 4.34Å; T290-L294 WeakPolarHBondContact O-CB 3.29Å; T290-L294 VanDerWaalsContact O-CG 3.32Å; T290-L294 WeakPolarHBondContact O-CG 3.25Å; T290-L294 PolarHBondContact O-N 3.46Å |
| 291 | A | 69.3 | Low | 64.9 | Low | 44 Ų | 44 | 80.7 Ų | 80.7 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V286 T287 E288 S289 L294 E295 | V286-A291 HydrophobicContact CG1-CB 3.92Å; T287-A291 PolarHBondContact O-N 2.92Å; E288-A291 WeakPolarHBondContact O-CB 3.49Å; E288-A291 PolarHBondContact O-N 3.49Å; S289-A291 VanDerWaalsContact C-N 3.33Å; A291-L294 PolarHBondContact O-N 3.34Å; A291-E295 WeakPolarHBondContact O-CB 3.49Å; A291-E295 PolarHBondContact O-N 2.92Å |
| 292 | Q | 59.4 | Low | 65.7 | Low | 103 Ų | 103 | 87 Ų | 87 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 175.4 | -73.3 | 172.9 | -1.2 | 0 | 0 | 112.4 | E288 S289 E295 S296 | E288-Q292 WeakPolarHBondContact O-CG 3.22Å; E288-Q292 PolarHBondContact O-N 2.9Å; S289-Q292 PolarHBondContact O-N 3.36Å; Q292-E295 PolarHBondContact O-N 3.39Å; Q292-S296 WeakPolarHBondContact O-CB 3.24Å; Q292-S296 PolarHBondContact O-N 2.89Å; Q292-S296 PolarHBondContact O-OG 3.47Å |
| 293 | A | 58.7 | Low | 66.2 | Low | 51 Ų | 51 | 92.9 Ų | 92.9 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S289 T290 S296 I297 | S289-A293 PolarHBondContact O-N 2.96Å; T290-A293 PolarHBondContact O-N 3.28Å; A293-S296 PolarHBondContact O-N 3.21Å; A293-I297 WeakPolarHBondContact O-CG1 3.18Å; A293-I297 PolarHBondContact O-N 2.74Å |
| 294 | L | 69.1 | Low | 66.7 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 174.3 | -73.7 | 171.6 | 0 | 0 | 0 | 111.8 | V286 T290 A291 S296 I297 L298 | V286-L294 HydrophobicContact CG1-CD1 4.03Å; T290-L294 HydrophobicContact CG2-CD1 4.34Å; T290-L294 WeakPolarHBondContact O-CB 3.29Å; T290-L294 VanDerWaalsContact O-CG 3.32Å; T290-L294 WeakPolarHBondContact O-CG 3.25Å; T290-L294 PolarHBondContact O-N 3.46Å; A291-L294 PolarHBondContact O-N 3.34Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 2.86Å; L294-I297 PolarHBondContact O-N 2.9Å; L294-L298 WeakPolarHBondContact O-CB 3.18Å; L294-L298 VanDerWaalsContact O-CG 3.26Å; L294-L298 WeakPolarHBondContact O-CG 3.4Å; L294-L298 PolarHBondContact O-N 3.5Å |
| 295 | E | 67.1 | Low | 67.2 | Low | 116 Ų | 116 | 91.9 Ų | 91.9 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 174.9 | -174.5 | -173 | 169.5 | 0 | 0 | 111.1 | A291 Q292 I297 L298 N299 | A291-E295 WeakPolarHBondContact O-CB 3.49Å; A291-E295 PolarHBondContact O-N 2.92Å; Q292-E295 PolarHBondContact O-N 3.39Å; E295-I297 PolarHBondContact O-N 3.05Å; E295-L298 PolarHBondContact O-N 2.95Å; E295-N299 WeakPolarHBondContact O-CB 3.35Å; E295-N299 PolarHBondContact O-N 2.82Å; E295-N299 PolarHBondContact O-ND2 3.45Å |
| 296 | S | 62.6 | Low | 67.9 | Low | 79 Ų | 79 | 91.8 Ų | 91.8 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.8 | -43.8 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | Q292 A293 L294 N299 S300 | Q292-S296 WeakPolarHBondContact O-CB 3.24Å; Q292-S296 PolarHBondContact O-N 2.89Å; Q292-S296 PolarHBondContact O-OG 3.47Å; A293-S296 PolarHBondContact O-N 3.21Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 2.86Å; S296-N299 PolarHBondContact O-N 3.23Å; S296-S300 PolarHBondContact O-N 3.16Å |
| 297 | I | 64.4 | Low | 68.4 | Low | 91 Ų | 91 | 92 Ų | 92 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 175.2 | -67.4 | 166.3 | 0 | 0 | 0 | 110.5 | A293 L294 E295 N299 S300 L301 | A293-I297 WeakPolarHBondContact O-CG1 3.18Å; A293-I297 PolarHBondContact O-N 2.74Å; L294-I297 PolarHBondContact O-N 2.9Å; E295-I297 PolarHBondContact O-N 3.05Å; I297-N299 VanDerWaalsContact C-N 3.33Å; I297-N299 PolarHBondContact O-N 2.88Å; I297-S300 WeakPolarHBondContact O-CB 3.45Å; I297-S300 PolarHBondContact O-N 3.44Å; I297-S300 VanDerWaalsContact O-N 3.13Å; I297-S300 PolarHBondContact O-OG 3.28Å; I297-L301 HydrophobicContact CG2-CD1 3.97Å; I297-L301 HydrophobicContact CG2-CG 4.3Å; I297-L301 WeakPolarHBondContact O-CG 3.4Å; I297-L301 PolarHBondContact O-N 2.96Å |
| 298 | L | 75.6 | Confident | 69 | Low | 110 Ų | 110 | 95.1 Ų | 95.1 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -38.6 | 179.7 | -74.5 | 170.6 | 0 | 0 | 0 | 112.2 | L294 E295 L301 R302 | L294-L298 WeakPolarHBondContact O-CB 3.18Å; L294-L298 VanDerWaalsContact O-CG 3.26Å; L294-L298 WeakPolarHBondContact O-CG 3.4Å; L294-L298 PolarHBondContact O-N 3.5Å; E295-L298 PolarHBondContact O-N 2.95Å; L298-L301 PolarHBondContact O-N 3.13Å; L298-R302 WeakPolarHBondContact O-CB 3.48Å; L298-R302 PolarHBondContact O-N 3.43Å |
| 299 | N | 68.1 | Low | 69.7 | Low | 73 Ų | 73 | 94.4 Ų | 94.4 | 39% | 0.39 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 173.4 | -76.8 | -27.3 | 0 | 0 | 0 | 111.5 | E295 S296 I297 R302 Y303 | E295-N299 WeakPolarHBondContact O-CB 3.35Å; E295-N299 PolarHBondContact O-N 2.82Å; E295-N299 PolarHBondContact O-ND2 3.45Å; S296-N299 PolarHBondContact O-N 3.23Å; I297-N299 VanDerWaalsContact C-N 3.33Å; I297-N299 PolarHBondContact O-N 2.88Å; N299-R302 PolarHBondContact O-N 3.5Å; N299-Y303 PolarHBondContact O-N 3.16Å; N299-Y303 VanDerWaalsContact O-N 3.1Å |
| 300 | S | 68.6 | Low | 70.5 | Confident | 51 Ų | 51 | 92.6 Ų | 92.6 | 36% | 0.357 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 174.6 | 80.5 | 0 | 0 | 0 | 0 | 112.5 | S296 I297 Y303 Y304 | S296-S300 PolarHBondContact O-N 3.16Å; I297-S300 WeakPolarHBondContact O-CB 3.45Å; I297-S300 PolarHBondContact O-N 3.44Å; I297-S300 VanDerWaalsContact O-N 3.13Å; I297-S300 PolarHBondContact O-OG 3.28Å; S300-Y303 WeakPolarHBondContact O-CB 3.28Å; S300-Y303 PolarHBondContact O-N 3.04Å; S300-Y304 WeakPolarHBondContact O-CD2 3.39Å; S300-Y304 PolarHBondContact O-N 3.39Å |
| 301 | L | 59.2 | Low | 71.4 | Confident | 91 Ų | 91 | 93.3 Ų | 93.3 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 177 | -72.8 | 173.7 | 0 | 0 | 0 | 111.2 | I297 L298 Y303 Y304 V305 | I297-L301 HydrophobicContact CG2-CD1 3.97Å; I297-L301 HydrophobicContact CG2-CG 4.3Å; I297-L301 WeakPolarHBondContact O-CG 3.4Å; I297-L301 PolarHBondContact O-N 2.96Å; L298-L301 PolarHBondContact O-N 3.13Å; L301-Y303 VanDerWaalsContact C-N 3.26Å; L301-Y303 PolarHBondContact O-N 2.9Å; L301-Y304 PolarHBondContact O-N 3.34Å; L301-V305 WeakPolarHBondContact O-CB 3.39Å; L301-V305 VanDerWaalsContact O-CG2 3.31Å; L301-V305 WeakPolarHBondContact O-CG2 3.05Å; L301-V305 PolarHBondContact O-N 3.45Å |
| 302 | R | 72.2 | Confident | 72.3 | Confident | 183 Ų | 183 | 94.7 Ų | 94.7 | 69% | 0.691 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.5 | -43.3 | 174.2 | -177.2 | -175.7 | -71.8 | 165.4 | -1.8 | 111 | L298 N299 A306 | L298-R302 WeakPolarHBondContact O-CB 3.48Å; L298-R302 PolarHBondContact O-N 3.43Å; N299-R302 PolarHBondContact O-N 3.5Å; R302-A306 WeakPolarHBondContact O-CB 3.15Å; R302-A306 PolarHBondContact O-N 2.98Å |
| 303 | Y | 70.2 | Confident | 73.6 | Confident | 161 Ų | 161 | 97.4 Ų | 97.4 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -50.7 | 175.5 | 176.2 | -96.2 | 0 | 0 | 0 | 112 | N299 S300 L301 V305 A306 T307 | N299-Y303 PolarHBondContact O-N 3.16Å; N299-Y303 VanDerWaalsContact O-N 3.1Å; S300-Y303 WeakPolarHBondContact O-CB 3.28Å; S300-Y303 PolarHBondContact O-N 3.04Å; L301-Y303 VanDerWaalsContact C-N 3.26Å; L301-Y303 PolarHBondContact O-N 2.9Å; Y303-V305 PolarHBondContact O-N 3.38Å; Y303-A306 PolarHBondContact O-N 2.91Å; Y303-T307 PolarHBondContact O-N 3.41Å; Y303-T307 PolarHBondContact O-OG1 2.92Å; Y303-T307 VanDerWaalsContact O-OG1 3.09Å |
| 304 | Y | 75.8 | Confident | 75.1 | Confident | 156 Ų | 156 | 99.8 Ų | 99.8 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | -179.6 | -74.6 | -64 | 0 | 0 | 0 | 113.3 | S300 L301 T307 Q308 | S300-Y304 WeakPolarHBondContact O-CD2 3.39Å; S300-Y304 PolarHBondContact O-N 3.39Å; L301-Y304 PolarHBondContact O-N 3.34Å; Y304-T307 PolarHBondContact O-N 3.14Å; Y304-Q308 WeakPolarHBondContact O-CB 3.42Å; Y304-Q308 PolarHBondContact O-N 3.17Å |
| 305 | V | 75.2 | Confident | 75.9 | Confident | 71 Ų | 71 | 100.7 Ų | 100.7 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | L301 Y303 Q308 Q309 | L301-V305 WeakPolarHBondContact O-CB 3.39Å; L301-V305 VanDerWaalsContact O-CG2 3.31Å; L301-V305 WeakPolarHBondContact O-CG2 3.05Å; L301-V305 PolarHBondContact O-N 3.45Å; Y303-V305 PolarHBondContact O-N 3.38Å; V305-Q308 PolarHBondContact O-N 2.82Å; V305-Q309 HydrophobicContact CG1-CG 4.45Å; V305-Q309 WeakPolarHBondContact O-CB 3.26Å; V305-Q309 VanDerWaalsContact O-CG 3.31Å; V305-Q309 WeakPolarHBondContact O-CG 3.3Å; V305-Q309 PolarHBondContact O-N 3.34Å |
| 306 | A | 81.4 | Confident | 76.7 | Confident | 53 Ų | 53 | 102 Ų | 102 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R302 Y303 Q309 A310 | R302-A306 WeakPolarHBondContact O-CB 3.15Å; R302-A306 PolarHBondContact O-N 2.98Å; Y303-A306 PolarHBondContact O-N 2.91Å; A306-Q309 PolarHBondContact O-N 3.39Å; A306-A310 PolarHBondContact O-N 3.24Å |
| 307 | T | 74.5 | Confident | 77.8 | Confident | 53 Ų | 53 | 101.6 Ų | 101.6 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.9 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | Y303 Y304 Q309 A310 D311 | Y303-T307 PolarHBondContact O-N 3.41Å; Y303-T307 PolarHBondContact O-OG1 2.92Å; Y303-T307 VanDerWaalsContact O-OG1 3.09Å; Y304-T307 PolarHBondContact O-N 3.14Å; T307-Q309 VanDerWaalsContact C-N 3.33Å; T307-Q309 PolarHBondContact O-N 2.94Å; T307-A310 WeakPolarHBondContact O-CA 3.42Å; T307-A310 WeakPolarHBondContact O-CB 3.15Å; T307-A310 PolarHBondContact O-N 3.04Å; T307-A310 VanDerWaalsContact O-N 3.08Å; T307-D311 PolarHBondContact O-N 2.85Å |
| 308 | Q | 80.5 | Confident | 78.9 | Confident | 127 Ų | 127 | 100.2 Ų | 100.2 | 59% | 0.593 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | 178.1 | -172.1 | 179 | 49.7 | 0 | 0 | 112.1 | Y304 V305 A310 D311 V312 | Y304-Q308 WeakPolarHBondContact O-CB 3.42Å; Y304-Q308 PolarHBondContact O-N 3.17Å; V305-Q308 PolarHBondContact O-N 2.82Å; Q308-A310 VanDerWaalsContact C-N 3.3Å; Q308-A310 PolarHBondContact O-N 3.26Å; Q308-D311 PolarHBondContact O-N 2.95Å; Q308-V312 HydrophobicContact CG-CG2 4.47Å; Q308-V312 WeakPolarHBondContact O-CB 3.36Å; Q308-V312 VanDerWaalsContact O-CG2 3.29Å; Q308-V312 WeakPolarHBondContact O-CG2 3.45Å; Q308-V312 PolarHBondContact O-N 2.89Å |
| 309 | Q | 82.5 | Confident | 79.3 | Confident | 135 Ų | 135 | 99.5 Ų | 99.5 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | 173.8 | -77.1 | 179.7 | -9.9 | 0 | 0 | 111.8 | V305 A306 T307 R313 | V305-Q309 HydrophobicContact CG1-CG 4.45Å; V305-Q309 WeakPolarHBondContact O-CB 3.26Å; V305-Q309 VanDerWaalsContact O-CG 3.31Å; V305-Q309 WeakPolarHBondContact O-CG 3.3Å; V305-Q309 PolarHBondContact O-N 3.34Å; A306-Q309 PolarHBondContact O-N 3.39Å; T307-Q309 VanDerWaalsContact C-N 3.33Å; T307-Q309 PolarHBondContact O-N 2.94Å; Q309-R313 WeakPolarHBondContact O-CB 3.35Å; Q309-R313 PolarHBondContact O-N 2.94Å |
| 310 | A | 82.3 | Confident | 80.1 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A306 T307 Q308 R313 I314 | A306-A310 PolarHBondContact O-N 3.24Å; T307-A310 WeakPolarHBondContact O-CA 3.42Å; T307-A310 WeakPolarHBondContact O-CB 3.15Å; T307-A310 PolarHBondContact O-N 3.04Å; T307-A310 VanDerWaalsContact O-N 3.08Å; Q308-A310 VanDerWaalsContact C-N 3.3Å; Q308-A310 PolarHBondContact O-N 3.26Å; A310-R313 WeakPolarHBondContact O-CB 3.32Å; A310-R313 PolarHBondContact O-N 3.2Å; A310-I314 WeakPolarHBondContact O-CG1 3.44Å; A310-I314 PolarHBondContact O-N 2.87Å |
| 311 | D | 83.1 | Confident | 80.7 | Confident | 83 Ų | 83 | 104 Ų | 104 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 177.9 | -68.6 | -22.6 | 0 | 0 | 0 | 112 | T307 Q308 R313 I314 I315 | T307-D311 PolarHBondContact O-N 2.85Å; Q308-D311 PolarHBondContact O-N 2.95Å; D311-R313 PolarHBondContact O-N 3.02Å; D311-I314 PolarHBondContact O-N 3.47Å; D311-I314 VanDerWaalsContact O-N 3.13Å; D311-I315 VanDerWaalsContact O-CG1 3.3Å; D311-I315 WeakPolarHBondContact O-CG1 3.36Å; D311-I315 PolarHBondContact O-N 3.38Å |
| 312 | V | 87.4 | Confident | 81.7 | Confident | 72 Ų | 72 | 105.6 Ų | 105.6 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 176 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | Q308 R316 | Q308-V312 HydrophobicContact CG-CG2 4.47Å; Q308-V312 WeakPolarHBondContact O-CB 3.36Å; Q308-V312 VanDerWaalsContact O-CG2 3.29Å; Q308-V312 WeakPolarHBondContact O-CG2 3.45Å; Q308-V312 PolarHBondContact O-N 2.89Å; V312-R316 VanDerWaalsContact O-CB 3.31Å; V312-R316 WeakPolarHBondContact O-CB 3.45Å; V312-R316 PolarHBondContact O-N 2.76Å |
| 313 | R | 88 | Confident | 81.9 | Confident | 161 Ų | 161 | 101.4 Ų | 101.4 | 61% | 0.608 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.4 | -46.3 | 173.8 | -175.8 | 178.4 | 176.5 | -125.1 | -4.2 | 111.1 | Q309 A310 D311 I315 R316 D317 | Q309-R313 WeakPolarHBondContact O-CB 3.35Å; Q309-R313 PolarHBondContact O-N 2.94Å; A310-R313 WeakPolarHBondContact O-CB 3.32Å; A310-R313 PolarHBondContact O-N 3.2Å; D311-R313 PolarHBondContact O-N 3.02Å; R313-I315 VanDerWaalsContact C-N 3.35Å; R313-I315 PolarHBondContact O-N 3.44Å; R313-R316 WeakPolarHBondContact O-CB 3.4Å; R313-R316 PolarHBondContact O-N 3.09Å; R313-D317 IonicContact NE-OD2 2.79Å; R313-D317 WeakPolarHBondContact O-CB 3.02Å; R313-D317 PolarHBondContact O-N 2.96Å |
| 314 | I | 88.4 | Confident | 81.9 | Confident | 101 Ų | 101 | 95.1 Ų | 95.1 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.8 | -68.3 | 164 | 0 | 0 | 0 | 111.1 | A310 D311 D317 T318 | A310-I314 WeakPolarHBondContact O-CG1 3.44Å; A310-I314 PolarHBondContact O-N 2.87Å; D311-I314 PolarHBondContact O-N 3.47Å; D311-I314 VanDerWaalsContact O-N 3.13Å; I314-D317 PolarHBondContact O-N 2.85Å; I314-T318 WeakPolarHBondContact O-CB 3.28Å; I314-T318 PolarHBondContact O-N 3.31Å; I314-T318 PolarHBondContact O-OG1 2.87Å |
| 315 | I | 86.1 | Confident | 81.5 | Confident | 99 Ų | 99 | 92.3 Ų | 92.3 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 176.4 | -69.2 | 165.3 | 0 | 0 | 0 | 110.2 | D311 R313 T318 L319 | D311-I315 VanDerWaalsContact O-CG1 3.3Å; D311-I315 WeakPolarHBondContact O-CG1 3.36Å; D311-I315 PolarHBondContact O-N 3.38Å; R313-I315 VanDerWaalsContact C-N 3.35Å; R313-I315 PolarHBondContact O-N 3.44Å; I315-T318 PolarHBondContact O-N 3.49Å; I315-L319 HydrophobicContact CG2-CD1 3.98Å; I315-L319 HydrophobicContact CG2-CG 4.36Å; I315-L319 WeakPolarHBondContact O-CB 3.48Å; I315-L319 VanDerWaalsContact O-CG 3.29Å; I315-L319 WeakPolarHBondContact O-CG 3.4Å; I315-L319 PolarHBondContact O-N 3.41Å |
| 316 | R | 84.6 | Confident | 80.9 | Confident | 143 Ų | 143 | 92 Ų | 92 | 54% | 0.54 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 177 | -176.1 | -165.7 | -56.5 | 158.9 | 3.4 | 111.2 | V312 R313 T318 L319 L320 | V312-R316 VanDerWaalsContact O-CB 3.31Å; V312-R316 WeakPolarHBondContact O-CB 3.45Å; V312-R316 PolarHBondContact O-N 2.76Å; R313-R316 WeakPolarHBondContact O-CB 3.4Å; R313-R316 PolarHBondContact O-N 3.09Å; R316-T318 VanDerWaalsContact C-N 3.31Å; R316-T318 PolarHBondContact O-N 2.9Å; R316-L319 PolarHBondContact O-N 3.27Å; R316-L320 HydrophobicContact CG-CD1 4.14Å; R316-L320 HydrophobicContact CG-CG 4.5Å; R316-L320 WeakPolarHBondContact O-CB 3.45Å; R316-L320 WeakPolarHBondContact O-CG 3.48Å; R316-L320 PolarHBondContact O-N 2.83Å |
| 317 | D | 85.1 | Confident | 79.9 | Confident | 71 Ų | 71 | 93.9 Ų | 93.9 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | -179.8 | -67.3 | -12.6 | 0 | 0 | 0 | 110.3 | R313 I314 L319 L320 E321 | R313-D317 IonicContact NE-OD2 2.79Å; R313-D317 WeakPolarHBondContact O-CB 3.02Å; R313-D317 PolarHBondContact O-N 2.96Å; I314-D317 PolarHBondContact O-N 2.85Å; D317-L319 PolarHBondContact O-N 3.16Å; D317-L320 PolarHBondContact O-N 3.42Å; D317-E321 WeakPolarHBondContact O-CB 3.41Å; D317-E321 PolarHBondContact O-N 3.16Å |
| 318 | T | 88.4 | Confident | 79.2 | Confident | 62 Ų | 62 | 94 Ų | 94 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 173.7 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | I314 I315 R316 E321 K322 | I314-T318 WeakPolarHBondContact O-CB 3.28Å; I314-T318 PolarHBondContact O-N 3.31Å; I314-T318 PolarHBondContact O-OG1 2.87Å; I315-T318 PolarHBondContact O-N 3.49Å; R316-T318 VanDerWaalsContact C-N 3.31Å; R316-T318 PolarHBondContact O-N 2.9Å; T318-E321 PolarHBondContact O-N 3.33Å; T318-K322 HydrophobicContact CG2-CG 4.39Å; T318-K322 WeakPolarHBondContact O-CB 3.14Å; T318-K322 VanDerWaalsContact O-CG 3.25Å; T318-K322 WeakPolarHBondContact O-CG 3.39Å; T318-K322 PolarHBondContact O-N 3.46Å |
| 319 | L | 84.5 | Confident | 78 | Confident | 96 Ų | 96 | 90.8 Ų | 90.8 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 177.7 | -73.7 | 173.7 | 0 | 0 | 0 | 111.2 | I315 R316 D317 E321 K322 L323 | I315-L319 HydrophobicContact CG2-CD1 3.98Å; I315-L319 HydrophobicContact CG2-CG 4.36Å; I315-L319 WeakPolarHBondContact O-CB 3.48Å; I315-L319 VanDerWaalsContact O-CG 3.29Å; I315-L319 WeakPolarHBondContact O-CG 3.4Å; I315-L319 PolarHBondContact O-N 3.41Å; R316-L319 PolarHBondContact O-N 3.27Å; D317-L319 PolarHBondContact O-N 3.16Å; L319-E321 VanDerWaalsContact C-N 3.33Å; L319-E321 PolarHBondContact O-N 2.88Å; L319-K322 PolarHBondContact O-N 3.36Å; L319-L323 HydrophobicContact CB-CD1 4.33Å; L319-L323 WeakPolarHBondContact O-CB 3.44Å; L319-L323 WeakPolarHBondContact O-CD1 3.47Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.14Å |
| 320 | L | 83.1 | Confident | 76.7 | Confident | 110 Ų | 110 | 89 Ų | 89 | 58% | 0.576 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.5 | -39.5 | 175.7 | -74.7 | 172.9 | 0 | 0 | 0 | 111.6 | R316 D317 G324 | R316-L320 HydrophobicContact CG-CD1 4.14Å; R316-L320 HydrophobicContact CG-CG 4.5Å; R316-L320 WeakPolarHBondContact O-CB 3.45Å; R316-L320 WeakPolarHBondContact O-CG 3.48Å; R316-L320 PolarHBondContact O-N 2.83Å; D317-L320 PolarHBondContact O-N 3.42Å; L320-G324 VanDerWaalsContact O-CA 3.27Å; L320-G324 WeakPolarHBondContact O-CA 3.39Å; L320-G324 PolarHBondContact O-N 3.11Å |
| 321 | E | 82.6 | Confident | 75.4 | Confident | 109 Ų | 109 | 91.1 Ų | 91.1 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 173.4 | -169.6 | -164.2 | 143.3 | 0 | 0 | 111 | D317 T318 L319 N325 | D317-E321 WeakPolarHBondContact O-CB 3.41Å; D317-E321 PolarHBondContact O-N 3.16Å; T318-E321 PolarHBondContact O-N 3.33Å; L319-E321 VanDerWaalsContact C-N 3.33Å; L319-E321 PolarHBondContact O-N 2.88Å; E321-N325 VanDerWaalsContact O-CB 3.22Å; E321-N325 WeakPolarHBondContact O-CB 3.48Å; E321-N325 PolarHBondContact O-N 3.01Å; E321-N325 PolarHBondContact O-ND2 2.97Å; E321-N325 PolarHBondContact O-OD1 2.96Å |
| 322 | K | 79.8 | Confident | 74.1 | Confident | 123 Ų | 123 | 95.1 Ų | 95.1 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | -179.5 | -65.9 | -61.4 | -179.9 | -157.9 | 0 | 112.6 | T318 L319 S326 | T318-K322 HydrophobicContact CG2-CG 4.39Å; T318-K322 WeakPolarHBondContact O-CB 3.14Å; T318-K322 VanDerWaalsContact O-CG 3.25Å; T318-K322 WeakPolarHBondContact O-CG 3.39Å; T318-K322 PolarHBondContact O-N 3.46Å; L319-K322 PolarHBondContact O-N 3.36Å; K322-S326 WeakPolarHBondContact O-CB 3.42Å; K322-S326 PolarHBondContact O-N 3.46Å; K322-S326 PolarHBondContact O-OG 3.47Å |
| 323 | L | 75.6 | Confident | 72.4 | Confident | 96 Ų | 96 | 94.6 Ų | 94.6 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 176.5 | -77.5 | 156.1 | 0 | 0 | 0 | 111 | L319 N325 S326 I327 | L319-L323 HydrophobicContact CB-CD1 4.33Å; L319-L323 WeakPolarHBondContact O-CB 3.44Å; L319-L323 WeakPolarHBondContact O-CD1 3.47Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.14Å; L323-N325 VanDerWaalsContact C-N 3.33Å; L323-N325 PolarHBondContact O-N 3.11Å; L323-S326 CarbonylContact O-C 3.57Å; L323-S326 PolarHBondContact O-N 3.28Å; L323-S326 VanDerWaalsContact O-N 3.16Å; L323-I327 WeakPolarHBondContact O-CB 3.43Å; L323-I327 VanDerWaalsContact O-CG1 3.26Å; L323-I327 WeakPolarHBondContact O-CG1 3.43Å; L323-I327 PolarHBondContact O-N 3.35Å |
| 324 | G | 70.4 | Confident | 70.9 | Confident | 29 Ų | 29 | 90.9 Ų | 90.9 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L320 I327 S328 | L320-G324 VanDerWaalsContact O-CA 3.27Å; L320-G324 WeakPolarHBondContact O-CA 3.39Å; L320-G324 PolarHBondContact O-N 3.11Å; G324-I327 PolarHBondContact O-N 3.07Å; G324-S328 WeakPolarHBondContact O-CB 3.33Å; G324-S328 PolarHBondContact O-N 3.03Å; G324-S328 PolarHBondContact O-OG 2.9Å |
| 325 | N | 67.6 | Low | 69.4 | Low | 96 Ų | 96 | 90.2 Ų | 90.2 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 173.6 | -69.5 | -13.8 | 0 | 0 | 0 | 111.7 | E321 L323 A329 | E321-N325 VanDerWaalsContact O-CB 3.22Å; E321-N325 WeakPolarHBondContact O-CB 3.48Å; E321-N325 PolarHBondContact O-N 3.01Å; E321-N325 PolarHBondContact O-ND2 2.97Å; E321-N325 PolarHBondContact O-OD1 2.96Å; L323-N325 VanDerWaalsContact C-N 3.33Å; L323-N325 PolarHBondContact O-N 3.11Å; N325-A329 VanDerWaalsContact O-CB 3.28Å; N325-A329 WeakPolarHBondContact O-CB 3.5Å; N325-A329 PolarHBondContact O-N 3.27Å |
| 326 | S | 63.3 | Low | 68.2 | Low | 66 Ų | 66 | 89.1 Ų | 89.1 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | K322 L323 A329 I330 | K322-S326 WeakPolarHBondContact O-CB 3.42Å; K322-S326 PolarHBondContact O-N 3.46Å; K322-S326 PolarHBondContact O-OG 3.47Å; L323-S326 CarbonylContact O-C 3.57Å; L323-S326 PolarHBondContact O-N 3.28Å; L323-S326 VanDerWaalsContact O-N 3.16Å; S326-A329 PolarHBondContact O-N 3.09Å; S326-I330 WeakPolarHBondContact O-CD1 3.45Å; S326-I330 VanDerWaalsContact O-CG1 3.24Å; S326-I330 WeakPolarHBondContact O-CG1 3.37Å; S326-I330 PolarHBondContact O-N 3.42Å; S326-I330 VanDerWaalsContact O-N 3.09Å |
| 327 | I | 61.1 | Low | 67.2 | Low | 92 Ų | 92 | 83.7 Ų | 83.7 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.2 | -40.6 | 179 | -68.6 | 169 | 0 | 0 | 0 | 110.5 | L323 G324 A329 I330 T331 | L323-I327 WeakPolarHBondContact O-CB 3.43Å; L323-I327 VanDerWaalsContact O-CG1 3.26Å; L323-I327 WeakPolarHBondContact O-CG1 3.43Å; L323-I327 PolarHBondContact O-N 3.35Å; G324-I327 PolarHBondContact O-N 3.07Å; I327-A329 VanDerWaalsContact C-N 3.3Å; I327-A329 PolarHBondContact O-N 2.89Å; I327-I330 CarbonylContact O-C 3.57Å; I327-I330 PolarHBondContact O-N 3.46Å; I327-I330 VanDerWaalsContact O-N 3.08Å; I327-T331 HydrophobicContact CG2-CG2 3.81Å; I327-T331 WeakPolarHBondContact O-CB 3.3Å; I327-T331 WeakPolarHBondContact O-CG2 3.27Å; I327-T331 PolarHBondContact O-N 3.19Å; I327-T331 PolarHBondContact O-OG1 3.14Å |
| 328 | S | 58.8 | Low | 66.6 | Low | 55 Ų | 55 | 85.2 Ų | 85.2 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | G324 I330 T331 Q332 | G324-S328 WeakPolarHBondContact O-CB 3.33Å; G324-S328 PolarHBondContact O-N 3.03Å; G324-S328 PolarHBondContact O-OG 2.9Å; S328-I330 VanDerWaalsContact C-N 3.27Å; S328-I330 PolarHBondContact O-N 3.29Å; S328-T331 PolarHBondContact O-N 3.45Å; S328-Q332 PolarHBondContact O-N 2.96Å |
| 329 | A | 55.5 | Low | 66.1 | Low | 59 Ų | 59 | 87 Ų | 87 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -28.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N325 S326 I327 | N325-A329 VanDerWaalsContact O-CB 3.28Å; N325-A329 WeakPolarHBondContact O-CB 3.5Å; N325-A329 PolarHBondContact O-N 3.27Å; S326-A329 PolarHBondContact O-N 3.09Å; I327-A329 VanDerWaalsContact C-N 3.3Å; I327-A329 PolarHBondContact O-N 2.89Å |
| 330 | I | 54.9 | Low | 65.6 | Low | 97 Ų | 97 | 85.3 Ų | 85.3 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -83.5 | -38.6 | 175.6 | -66.9 | 162.4 | 0 | 0 | 0 | 111.8 | S326 I327 S328 T334 | S326-I330 WeakPolarHBondContact O-CD1 3.45Å; S326-I330 VanDerWaalsContact O-CG1 3.24Å; S326-I330 WeakPolarHBondContact O-CG1 3.37Å; S326-I330 PolarHBondContact O-N 3.42Å; S326-I330 VanDerWaalsContact O-N 3.09Å; I327-I330 CarbonylContact O-C 3.57Å; I327-I330 PolarHBondContact O-N 3.46Å; I327-I330 VanDerWaalsContact O-N 3.08Å; S328-I330 VanDerWaalsContact C-N 3.27Å; S328-I330 PolarHBondContact O-N 3.29Å; I330-T334 WeakPolarHBondContact O-CG2 3.1Å |
| 331 | T | 55.8 | Low | 65.3 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 58% | 0.577 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -93.4 | -32.9 | -167.3 | 53.2 | 0 | 0 | 0 | 0 | 114 | I327 S328 | I327-T331 HydrophobicContact CG2-CG2 3.81Å; I327-T331 WeakPolarHBondContact O-CB 3.3Å; I327-T331 WeakPolarHBondContact O-CG2 3.27Å; I327-T331 PolarHBondContact O-N 3.19Å; I327-T331 PolarHBondContact O-OG1 3.14Å; S328-T331 PolarHBondContact O-N 3.45Å |
| 332 | Q | 54.4 | Low | 65.3 | Low | 166 Ų | 166 | 82.9 Ų | 82.9 | 78% | 0.776 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -19.3 | -174.1 | -73.1 | -169.8 | -7.5 | 0 | 0 | 114.3 | S328 | S328-Q332 PolarHBondContact O-N 2.96Š|
| 333 | D | 53.4 | Low | 65.5 | Low | 62 Ų | 62 | 81.2 Ų | 81.2 | 33% | 0.332 | 48% | 0.477 | S | S | . | . | trans | -151.1 | 76.8 | 174.2 | -159.2 | 4 | 0 | 0 | 0 | 112.3 | S335 S336 | D333-S335 PolarHBondContact O-N 3.41Å; D333-S335 WeakPolarHBondContact OD1-CA 3.4Å; D333-S335 WeakPolarHBondContact OD1-CB 3.35Å; D333-S335 PolarHBondContact OD1-N 3.24Å; D333-S335 VanDerWaalsContact OD1-N 3.14Å; D333-S335 PolarHBondContact OD1-OG 3.03Å; D333-S336 PolarHBondContact O-N 3.21Å; D333-S336 VanDerWaalsContact OD2-CB 3.31Å; D333-S336 WeakPolarHBondContact OD2-CB 3.4Å; D333-S336 PolarHBondContact OD2-OG 3.35Å | ||
| 334 | T | 54.9 | Low | 65.8 | Low | 82 Ų | 82 | 85.4 Ų | 85.4 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -13.3 | 166.1 | 40.8 | 0 | 0 | 0 | 0 | 113.2 | I330 L340 | I330-T334 WeakPolarHBondContact O-CG2 3.1Å; T334-L340 HydrophobicContact CG2-CD1 4.15Å |
| 335 | S | 57.6 | Low | 66.6 | Low | 87 Ų | 87 | 88.4 Ų | 88.4 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.4 | 174.7 | -7 | 0 | 0 | 0 | 0 | 113.9 | D333 I341 | D333-S335 PolarHBondContact O-N 3.41Å; D333-S335 WeakPolarHBondContact OD1-CA 3.4Å; D333-S335 WeakPolarHBondContact OD1-CB 3.35Å; D333-S335 PolarHBondContact OD1-N 3.24Å; D333-S335 VanDerWaalsContact OD1-N 3.14Å; D333-S335 PolarHBondContact OD1-OG 3.03Å; S335-I341 WeakPolarHBondContact O-CD1 3.41Å |
| 336 | S | 61 | Low | 67.6 | Low | 76 Ų | 76 | 88 Ų | 88 | 53% | 0.531 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -20.7 | -176.3 | -77.5 | 0 | 0 | 0 | 0 | 114.8 | D333 P338 | D333-S336 PolarHBondContact O-N 3.21Å; D333-S336 VanDerWaalsContact OD2-CB 3.31Å; D333-S336 WeakPolarHBondContact OD2-CB 3.4Å; D333-S336 PolarHBondContact OD2-OG 3.35Å; S336-P338 WeakPolarHBondContact O-CD 3.34Å |
| 337 | S | 64.7 | Low | 68.9 | Low | 29 Ų | 29 | 88.8 Ų | 88.8 | 20% | 0.203 | 49% | 0.492 | C | S | . | . | trans | -69.4 | 111.9 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | V339 L340 I341 | S337-V339 PolarHBondContact O-N 3.5Å; S337-V339 VanDerWaalsContact O-N 3.13Å; S337-L340 PolarHBondContact O-N 3.5Å; S337-I341 WeakPolarHBondContact O-CG1 3.34Å; S337-I341 PolarHBondContact O-N 2.85Å | ||
| 338 | P | 71.7 | Confident | 70.3 | Confident | 104 Ų | 104 | 88 Ų | 88 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.8 | -34.4 | -175.5 | -24.4 | 35.2 | 0 | 0 | 0 | 112.5 | S336 E342 | S336-P338 WeakPolarHBondContact O-CD 3.34Å; P338-E342 WeakPolarHBondContact O-CB 3.42Å; P338-E342 PolarHBondContact O-N 3.35Å; P338-E342 VanDerWaalsContact O-N 3.1Å |
| 339 | V | 77.5 | Confident | 72 | Confident | 99 Ų | 99 | 90 Ų | 90 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.9 | -42.4 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | S337 E342 L343 | S337-V339 PolarHBondContact O-N 3.5Å; S337-V339 VanDerWaalsContact O-N 3.13Å; V339-E342 PolarHBondContact O-N 2.99Å; V339-L343 HydrophobicContact CG1-CD1 4.09Å; V339-L343 WeakPolarHBondContact O-CB 3.27Å; V339-L343 VanDerWaalsContact O-CG 3.29Å; V339-L343 WeakPolarHBondContact O-CG 3.46Å; V339-L343 PolarHBondContact O-N 2.89Å |
| 340 | L | 74.1 | Confident | 73.8 | Confident | 60 Ų | 60 | 92.6 Ų | 92.6 | 31% | 0.314 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -36.2 | 179.4 | -68.4 | 176.2 | 0 | 0 | 0 | 112 | T334 S337 L343 R344 | T334-L340 HydrophobicContact CG2-CD1 4.15Å; S337-L340 PolarHBondContact O-N 3.5Å; L340-L343 HydrophobicContact CD2-CD1 4.46Å; L340-R344 WeakPolarHBondContact O-CB 3.38Å; L340-R344 PolarHBondContact O-N 3.13Å |
| 341 | I | 77.4 | Confident | 75.6 | Confident | 71 Ų | 71 | 90.7 Ų | 90.7 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 173.8 | -63.6 | 166.5 | 0 | 0 | 0 | 109.9 | S335 S337 R344 L345 | S335-I341 WeakPolarHBondContact O-CD1 3.41Å; S337-I341 WeakPolarHBondContact O-CG1 3.34Å; S337-I341 PolarHBondContact O-N 2.85Å; I341-R344 PolarHBondContact O-N 2.98Å; I341-L345 HydrophobicContact CG2-CD1 4.09Å; I341-L345 WeakPolarHBondContact O-CG 3.45Å; I341-L345 PolarHBondContact O-N 3.34Å |
| 342 | E | 82.4 | Confident | 77.2 | Confident | 97 Ų | 97 | 90.6 Ų | 90.6 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 179.9 | -173.4 | 57.6 | -148.5 | 0 | 0 | 112 | P338 V339 R344 L345 Q346 | P338-E342 WeakPolarHBondContact O-CB 3.42Å; P338-E342 PolarHBondContact O-N 3.35Å; P338-E342 VanDerWaalsContact O-N 3.1Å; V339-E342 PolarHBondContact O-N 2.99Å; E342-R344 VanDerWaalsContact C-N 3.28Å; E342-R344 PolarHBondContact O-N 3.31Å; E342-L345 PolarHBondContact O-N 2.93Å; E342-Q346 WeakPolarHBondContact O-CB 3.36Å; E342-Q346 WeakPolarHBondContact O-CG 3.41Å; E342-Q346 PolarHBondContact O-N 2.95Å; E342-Q346 PolarHBondContact OE1-NE2 3.06Å |
| 343 | L | 82.8 | Confident | 78.9 | Confident | 89 Ų | 89 | 86.9 Ų | 86.9 | 47% | 0.466 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 175.4 | -75.6 | 171.3 | 0 | 0 | 0 | 112.5 | V339 L340 T347 | V339-L343 HydrophobicContact CG1-CD1 4.09Å; V339-L343 WeakPolarHBondContact O-CB 3.27Å; V339-L343 VanDerWaalsContact O-CG 3.29Å; V339-L343 WeakPolarHBondContact O-CG 3.46Å; V339-L343 PolarHBondContact O-N 2.89Å; L340-L343 HydrophobicContact CD2-CD1 4.46Å; L343-T347 WeakPolarHBondContact O-CB 3.49Å; L343-T347 PolarHBondContact O-N 3.34Å; L343-T347 PolarHBondContact O-OG1 3.36Å |
| 344 | R | 82.2 | Confident | 80.5 | Confident | 183 Ų | 183 | 91.5 Ų | 91.5 | 69% | 0.691 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.7 | -42.2 | 178.3 | -162.6 | 170.5 | -169.7 | 165.8 | 2.1 | 111.4 | L340 I341 E342 T347 T348 | L340-R344 WeakPolarHBondContact O-CB 3.38Å; L340-R344 PolarHBondContact O-N 3.13Å; I341-R344 PolarHBondContact O-N 2.98Å; E342-R344 VanDerWaalsContact C-N 3.28Å; E342-R344 PolarHBondContact O-N 3.31Å; R344-T347 PolarHBondContact O-N 2.95Å; R344-T348 PolarHBondContact O-N 3.24Å; R344-T348 PolarHBondContact O-OG1 3.14Å; R344-T348 VanDerWaalsContact O-OG1 3.09Å |
| 345 | L | 86.7 | Confident | 81.9 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 172.7 | -75.7 | 167 | 0 | 0 | 0 | 111.3 | I341 E342 T347 T348 I349 | I341-L345 HydrophobicContact CG2-CD1 4.09Å; I341-L345 WeakPolarHBondContact O-CG 3.45Å; I341-L345 PolarHBondContact O-N 3.34Å; E342-L345 PolarHBondContact O-N 2.93Å; L345-T347 VanDerWaalsContact C-N 3.33Å; L345-T347 PolarHBondContact O-N 3.28Å; L345-T348 PolarHBondContact O-N 2.97Å; L345-I349 VanDerWaalsContact O-CG1 3.31Å; L345-I349 WeakPolarHBondContact O-CG1 3.38Å; L345-I349 PolarHBondContact O-N 3.49Å |
| 346 | Q | 89.4 | Confident | 83.1 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 41% | 0.407 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 175.8 | -71.5 | 177.8 | 21.3 | 0 | 0 | 112 | E342 T348 I349 L350 | E342-Q346 WeakPolarHBondContact O-CB 3.36Å; E342-Q346 WeakPolarHBondContact O-CG 3.41Å; E342-Q346 PolarHBondContact O-N 2.95Å; E342-Q346 PolarHBondContact OE1-NE2 3.06Å; Q346-T348 PolarHBondContact O-N 3.03Å; Q346-I349 PolarHBondContact O-N 3.44Å; Q346-L350 WeakPolarHBondContact O-CB 3.14Å; Q346-L350 WeakPolarHBondContact O-CG 3.23Å; Q346-L350 PolarHBondContact O-N 3.06Å |
| 347 | T | 91.6 | Very high | 84 | Confident | 83 Ų | 83 | 92.6 Ų | 92.6 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | L343 R344 L345 L350 T351 | L343-T347 WeakPolarHBondContact O-CB 3.49Å; L343-T347 PolarHBondContact O-N 3.34Å; L343-T347 PolarHBondContact O-OG1 3.36Å; R344-T347 PolarHBondContact O-N 2.95Å; L345-T347 VanDerWaalsContact C-N 3.33Å; L345-T347 PolarHBondContact O-N 3.28Å; T347-L350 PolarHBondContact O-N 3.4Å; T347-T351 WeakPolarHBondContact O-CB 3.49Å; T347-T351 PolarHBondContact O-N 3.48Å; T347-T351 PolarHBondContact O-OG1 3.41Å |
| 348 | T | 90.6 | Very high | 84.6 | Confident | 75 Ų | 75 | 93.7 Ų | 93.7 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 174.6 | -57 | 0 | 0 | 0 | 0 | 110.8 | R344 L345 Q346 L350 T351 D352 | R344-T348 PolarHBondContact O-N 3.24Å; R344-T348 PolarHBondContact O-OG1 3.14Å; R344-T348 VanDerWaalsContact O-OG1 3.09Å; L345-T348 PolarHBondContact O-N 2.97Å; Q346-T348 PolarHBondContact O-N 3.03Å; T348-L350 VanDerWaalsContact C-N 3.33Å; T348-L350 PolarHBondContact O-N 3Å; T348-T351 WeakPolarHBondContact O-CB 3.49Å; T348-T351 PolarHBondContact O-N 3.45Å; T348-T351 VanDerWaalsContact O-N 3.08Å; T348-D352 PolarHBondContact O-N 3.31Å |
| 349 | I | 92.8 | Very high | 84.6 | Confident | 97 Ų | 97 | 92.4 Ų | 92.4 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 177.3 | -68.3 | 165.7 | 0 | 0 | 0 | 111.1 | L345 Q346 T351 D352 I353 | L345-I349 VanDerWaalsContact O-CG1 3.31Å; L345-I349 WeakPolarHBondContact O-CG1 3.38Å; L345-I349 PolarHBondContact O-N 3.49Å; Q346-I349 PolarHBondContact O-N 3.44Å; I349-T351 VanDerWaalsContact C-N 3.29Å; I349-T351 PolarHBondContact O-N 3.47Å; I349-D352 PolarHBondContact O-N 2.88Å; I349-I353 HydrophobicContact CG2-CD1 3.8Å; I349-I353 HydrophobicContact CG2-CG1 4.42Å; I349-I353 VanDerWaalsContact O-CG1 3.26Å; I349-I353 WeakPolarHBondContact O-CG1 3.37Å; I349-I353 PolarHBondContact O-N 3.43Å |
| 350 | L | 93.4 | Very high | 84.1 | Confident | 114 Ų | 114 | 91.9 Ų | 91.9 | 60% | 0.597 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.9 | -36.4 | 177.2 | -73.6 | 169.4 | 0 | 0 | 0 | 112 | Q346 T347 T348 R354 | Q346-L350 WeakPolarHBondContact O-CB 3.14Å; Q346-L350 WeakPolarHBondContact O-CG 3.23Å; Q346-L350 PolarHBondContact O-N 3.06Å; T347-L350 PolarHBondContact O-N 3.4Å; T348-L350 VanDerWaalsContact C-N 3.33Å; T348-L350 PolarHBondContact O-N 3Å; L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 3.42Å |
| 351 | T | 92.7 | Very high | 83.8 | Confident | 57 Ų | 57 | 94.4 Ų | 94.4 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 176.4 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | T347 T348 I349 I353 R354 D355 | T347-T351 WeakPolarHBondContact O-CB 3.49Å; T347-T351 PolarHBondContact O-N 3.48Å; T347-T351 PolarHBondContact O-OG1 3.41Å; T348-T351 WeakPolarHBondContact O-CB 3.49Å; T348-T351 PolarHBondContact O-N 3.45Å; T348-T351 VanDerWaalsContact O-N 3.08Å; I349-T351 VanDerWaalsContact C-N 3.29Å; I349-T351 PolarHBondContact O-N 3.47Å; T351-I353 PolarHBondContact O-N 2.93Å; T351-R354 WeakPolarHBondContact O-CB 3.49Å; T351-R354 PolarHBondContact O-N 3.37Å; T351-D355 WeakPolarHBondContact O-CB 3.39Å; T351-D355 PolarHBondContact O-N 3.34Å |
| 352 | D | 90.3 | Very high | 82.9 | Confident | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.6 | -68.4 | -17.3 | 0 | 0 | 0 | 112 | T348 I349 D355 T356 | T348-D352 PolarHBondContact O-N 3.31Å; I349-D352 PolarHBondContact O-N 2.88Å; D352-D355 PolarHBondContact O-N 3.03Å; D352-T356 WeakPolarHBondContact O-CB 3.44Å; D352-T356 PolarHBondContact O-N 3.33Å; D352-T356 PolarHBondContact O-OG1 2.83Å |
| 353 | I | 89.3 | Confident | 81.4 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 45% | 0.451 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 173.4 | -70.9 | 167.6 | 0 | 0 | 0 | 110.1 | I349 T351 D355 T356 L357 | I349-I353 HydrophobicContact CG2-CD1 3.8Å; I349-I353 HydrophobicContact CG2-CG1 4.42Å; I349-I353 VanDerWaalsContact O-CG1 3.26Å; I349-I353 WeakPolarHBondContact O-CG1 3.37Å; I349-I353 PolarHBondContact O-N 3.43Å; T351-I353 PolarHBondContact O-N 2.93Å; I353-D355 VanDerWaalsContact C-N 3.33Å; I353-D355 PolarHBondContact O-N 3.26Å; I353-T356 PolarHBondContact O-N 2.95Å; I353-L357 HydrophobicContact CG2-CD1 3.9Å; I353-L357 HydrophobicContact CG2-CG 4.44Å; I353-L357 WeakPolarHBondContact O-CB 3.5Å; I353-L357 VanDerWaalsContact O-CG 3.3Å; I353-L357 WeakPolarHBondContact O-CG 3.44Å; I353-L357 PolarHBondContact O-N 2.9Å |
| 354 | R | 86.6 | Confident | 80.2 | Confident | 158 Ų | 158 | 96.1 Ų | 96.1 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.3 | -45.2 | 179.7 | -175.2 | -159.4 | 71.5 | 163.9 | -2.6 | 111.3 | L350 T351 L357 A358 | L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 3.42Å; T351-R354 WeakPolarHBondContact O-CB 3.49Å; T351-R354 PolarHBondContact O-N 3.37Å; R354-L357 PolarHBondContact O-N 3.01Å; R354-A358 WeakPolarHBondContact O-CB 3.42Å; R354-A358 PolarHBondContact O-N 3.4Å |
| 355 | D | 84.4 | Confident | 78.8 | Confident | 75 Ų | 75 | 93.1 Ų | 93.1 | 40% | 0.401 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.9 | -37 | -176.5 | -71.8 | -0.7 | 0 | 0 | 0 | 111.5 | T351 D352 I353 A358 S359 | T351-D355 WeakPolarHBondContact O-CB 3.39Å; T351-D355 PolarHBondContact O-N 3.34Å; D352-D355 PolarHBondContact O-N 3.03Å; I353-D355 VanDerWaalsContact C-N 3.33Å; I353-D355 PolarHBondContact O-N 3.26Å; D355-A358 PolarHBondContact O-N 3.3Å; D355-S359 WeakPolarHBondContact O-CB 3.43Å; D355-S359 PolarHBondContact O-N 3.37Å |
| 356 | T | 82.6 | Confident | 77.3 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -50.3 | 171.3 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | D352 I353 A358 S359 C360 | D352-T356 WeakPolarHBondContact O-CB 3.44Å; D352-T356 PolarHBondContact O-N 3.33Å; D352-T356 PolarHBondContact O-OG1 2.83Å; I353-T356 PolarHBondContact O-N 2.95Å; T356-A358 VanDerWaalsContact C-N 3.34Å; T356-A358 PolarHBondContact O-N 3.24Å; T356-S359 WeakPolarHBondContact O-CB 3.43Å; T356-S359 PolarHBondContact O-N 3.38Å; T356-S359 VanDerWaalsContact O-N 3.16Å; T356-S359 PolarHBondContact O-OG 3.25Å; T356-C360 PolarHBondContact O-N 3.44Å; T356-C360 VanDerWaalsContact O-N 3.17Å; T356-C360 PolarHBondContact O-SG 3.43Å |
| 357 | L | 81.8 | Confident | 75.7 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.2 | -43.9 | 176.6 | -71.7 | 172 | 0 | 0 | 0 | 111.7 | I353 R354 S359 C360 V361 | I353-L357 HydrophobicContact CG2-CD1 3.9Å; I353-L357 HydrophobicContact CG2-CG 4.44Å; I353-L357 WeakPolarHBondContact O-CB 3.5Å; I353-L357 VanDerWaalsContact O-CG 3.3Å; I353-L357 WeakPolarHBondContact O-CG 3.44Å; I353-L357 PolarHBondContact O-N 2.9Å; R354-L357 PolarHBondContact O-N 3.01Å; L357-S359 VanDerWaalsContact C-N 3.31Å; L357-S359 PolarHBondContact O-N 3.41Å; L357-C360 PolarHBondContact O-N 2.73Å; L357-V361 WeakPolarHBondContact O-CG2 3.11Å; L357-V361 PolarHBondContact O-N 3.22Å |
| 358 | A | 75.6 | Confident | 73.8 | Confident | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R354 D355 T356 C360 V361 K362 | R354-A358 WeakPolarHBondContact O-CB 3.42Å; R354-A358 PolarHBondContact O-N 3.4Å; D355-A358 PolarHBondContact O-N 3.3Å; T356-A358 VanDerWaalsContact C-N 3.34Å; T356-A358 PolarHBondContact O-N 3.24Å; A358-C360 VanDerWaalsContact C-N 3.29Å; A358-C360 PolarHBondContact O-N 3.36Å; A358-V361 PolarHBondContact O-N 3.13Å; A358-K362 WeakPolarHBondContact O-CB 3.5Å; A358-K362 PolarHBondContact O-N 3.13Å |
| 359 | S | 73.1 | Confident | 71.8 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64 | -33.1 | 177.6 | 84.6 | 0 | 0 | 0 | 0 | 112.8 | D355 T356 L357 | D355-S359 WeakPolarHBondContact O-CB 3.43Å; D355-S359 PolarHBondContact O-N 3.37Å; T356-S359 WeakPolarHBondContact O-CB 3.43Å; T356-S359 PolarHBondContact O-N 3.38Å; T356-S359 VanDerWaalsContact O-N 3.16Å; T356-S359 PolarHBondContact O-OG 3.25Å; L357-S359 VanDerWaalsContact C-N 3.31Å; L357-S359 PolarHBondContact O-N 3.41Å |
| 360 | C | 66.9 | Low | 69.8 | Low | 87 Ų | 87 | 106.8 Ų | 106.8 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.3 | -28.4 | 176.8 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | T356 L357 A358 | T356-C360 PolarHBondContact O-N 3.44Å; T356-C360 VanDerWaalsContact O-N 3.17Å; T356-C360 PolarHBondContact O-SG 3.43Å; L357-C360 PolarHBondContact O-N 2.73Å; A358-C360 VanDerWaalsContact C-N 3.29Å; A358-C360 PolarHBondContact O-N 3.36Å |
| 361 | V | 66.6 | Low | 67.7 | Low | 114 Ų | 114 | 104.2 Ų | 104.2 | 69% | 0.691 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -97.2 | -24.6 | -172.9 | -179.4 | 0 | 0 | 0 | 0 | 113 | L357 A358 G363 | L357-V361 WeakPolarHBondContact O-CG2 3.11Å; L357-V361 PolarHBondContact O-N 3.22Å; A358-V361 PolarHBondContact O-N 3.13Å; V361-G363 PolarHBondContact O-N 2.82Å; V361-G363 VanDerWaalsContact O-N 3.14Å |
| 362 | K | 58.7 | Low | 65.7 | Low | 168 Ų | 168 | 108.9 Ų | 108.9 | 73% | 0.73 | 60% | 0.596 | S | S | * | * | trans | -68.4 | 112.8 | -173.7 | -157.7 | 173.8 | -174.4 | 178.9 | 0 | 111.9 | A358 G364 | A358-K362 WeakPolarHBondContact O-CB 3.5Å; A358-K362 PolarHBondContact O-N 3.13Å; K362-G364 PolarHBondContact O-N 3.4Å | ||
| 363 | G | 50.5 | Low | 63.7 | Low | 46 Ų | 46 | 110.9 Ų | 110.9 | 47% | 0.474 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | 125.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | V361 | V361-G363 PolarHBondContact O-N 2.82Å; V361-G363 VanDerWaalsContact O-N 3.14Å |
| 364 | G | 57.8 | Low | 61.9 | Low | 78 Ų | 78 | 112.4 Ų | 112.4 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.6 | -3.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | K362 | K362-G364 PolarHBondContact O-N 3.4Š|
| 365 | H | 53.6 | Low | 59.8 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 56% | 0.56 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -88.9 | 154.8 | 169.1 | -171.7 | -101.8 | 0 | 0 | 0 | 111 | Q367 G368 | H365-Q367 PolarHBondContact O-N 3.33Å; H365-G368 WeakPolarHBondContact O-CA 3.4Å; H365-G368 PolarHBondContact O-N 3.09Å |
| 366 | K | 55.6 | Low | 57.4 | Low | 205 Ų | 205 | 117 Ų | 117 | 89% | 0.891 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -20.4 | -174.4 | -30.2 | -176.1 | -168.5 | -178.2 | 0 | 114.4 | ||
| 367 | Q | 55.8 | Low | 55.4 | Low | 164 Ų | 164 | 124.5 Ų | 124.5 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -4.4 | 174.4 | -65.8 | 179.8 | -39.6 | 0 | 0 | 113.1 | H365 R369 | H365-Q367 PolarHBondContact O-N 3.33Å; Q367-R369 VanDerWaalsContact C-N 3.32Å; Q367-R369 PolarHBondContact O-N 3.25Å |
| 368 | G | 50.6 | Low | 54.1 | Low | 10 Ų | 10 | 125.3 Ų | 125.3 | 10% | 0.103 | 68% | 0.681 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | 75.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H365 | H365-G368 WeakPolarHBondContact O-CA 3.4Å; H365-G368 PolarHBondContact O-N 3.09Å |
| 369 | R | 48.4 | Very low | 53 | Low | 210 Ų | 210 | 129.2 Ų | 129.2 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.2 | -1.4 | 158.8 | -99.9 | 169.8 | -179.4 | -168.6 | 0.9 | 114.2 | Q367 | Q367-R369 VanDerWaalsContact C-N 3.32Å; Q367-R369 PolarHBondContact O-N 3.25Å |
| 370 | N | 51.1 | Low | 51.9 | Low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -102 | 5.6 | -177.3 | -76.7 | -8.2 | 0 | 0 | 0 | 115.5 | ||
| 371 | G | 50.2 | Low | 51 | Low | 60 Ų | 60 | 134.7 Ų | 134.7 | 62% | 0.619 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -22.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 372 | I | 50.9 | Low | 50 | Low | 154 Ų | 154 | 136 Ų | 136 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 53.1 | 177.8 | -44.1 | 180 | 0 | 0 | 0 | 109.6 | ||
| 373 | K | 46.7 | Very low | 49.4 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | trans | -120.8 | 23 | 165.1 | -85.4 | -167 | 176 | -173.8 | 0 | 112.3 | F375 | K373-F375 PolarHBondContact O-N 3.07Å; K373-F375 VanDerWaalsContact O-N 3.1Å | ||
| 374 | V | 52.3 | Low | 49.3 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 0.7 | 172.5 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 375 | F | 41.9 | Very low | 48.7 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 36.4 | 176.5 | -57.6 | -69.8 | 0 | 0 | 0 | 113.9 | K373 | K373-F375 PolarHBondContact O-N 3.07Å; K373-F375 VanDerWaalsContact O-N 3.1Å |
| 376 | M | 34.2 | Very low | 48.3 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | trans | -127.8 | 68.4 | 166 | -72.5 | -176.6 | 174.5 | 0 | 0 | 110 | ||||
| 377 | N | 41.8 | Very low | 47.6 | Very low | 243 Ų | 243 | 141.6 Ų | 141.6 | 100% | 1.299 | 72% | 0.719 | S | S | * | * | trans | -161.6 | 0 | 135.7 | -91.4 | -11.9 | 0 | 0 | 0 | 108.9 |
Retrieved 377 of 377 residues in 614.9 ms
(Link to these results)