| 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 | 26.1 | Very low | 36.5 | Very low | 224 Ų | 224 | 95.7 Ų | 95.7 | 100% | 1.103 | 52% | 0.516 | S | S | * | . | 0 | 122.1 | 0 | -103.7 | -172.9 | 167.3 | 0 | 0 | 106.9 | L3 | M1-L3 PolarHBondContact O-N 3.46Š| |||
| 2 | P | 27.5 | Very low | 36.9 | Very low | 121 Ų | 121 | 95.1 Ų | 95.1 | 79% | 0.786 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 135.2 | 173.1 | 25.1 | -31.2 | 0 | 0 | 0 | 109.6 | ||
| 3 | L | 28.6 | Very low | 37.1 | Very low | 96 Ų | 96 | 89.8 Ų | 89.8 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 123.6 | 177.7 | -77.6 | 154.1 | 0 | 0 | 0 | 109.5 | M1 N5 E1084 | M1-L3 PolarHBondContact O-N 3.46Å; L3-N5 PolarHBondContact O-N 2.86Å; L3-N5 VanDerWaalsContact O-N 3.09Å; L3-E1084 WeakPolarHBondContact CD1-OE1 3.32Å |
| 4 | P | 34.9 | Very low | 37.3 | Very low | 55 Ų | 55 | 91.2 Ų | 91.2 | 36% | 0.357 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 120.2 | 167.8 | -14.7 | 28.8 | 0 | 0 | 0 | 107.3 | L6 S8 K65 | P4-L6 PolarHBondContact O-N 3.19Å; P4-S8 WeakPolarHBondContact CB-OG 3.24Å; P4-K65 HydrophobicContact CG-CB 4.16Å; P4-K65 HydrophobicContact CG-CG 4.3Å |
| 5 | N | 36.5 | Very low | 37 | Very low | 106 Ų | 106 | 88.3 Ų | 88.3 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | trans | -44.1 | 129.3 | 172.1 | -173.3 | -15.4 | 0 | 0 | 0 | 108.7 | L3 D7 S8 L9 | L3-N5 PolarHBondContact O-N 2.86Å; L3-N5 VanDerWaalsContact O-N 3.09Å; N5-D7 PolarHBondContact O-N 3.24Å; N5-D7 PolarHBondContact OD1-N 3.05Å; N5-S8 WeakPolarHBondContact O-CA 3.23Å; N5-S8 VanDerWaalsContact O-CB 3.28Å; N5-S8 WeakPolarHBondContact O-CB 3.25Å; N5-S8 PolarHBondContact O-N 3.12Å; N5-S8 PolarHBondContact O-OG 3.43Å; N5-L9 PolarHBondContact O-N 2.81Å | ||
| 6 | L | 39.1 | Very low | 36.9 | Very low | 102 Ų | 102 | 94.4 Ų | 94.4 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -54.9 | -25.6 | -177.3 | -166.8 | 70.8 | 0 | 0 | 0 | 111.6 | P4 L9 K10 | P4-L6 PolarHBondContact O-N 3.19Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-K10 PolarHBondContact O-N 3.09Å |
| 7 | D | 42.1 | Very low | 37.5 | Very low | 78 Ų | 78 | 95.4 Ų | 95.4 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.8 | -27.4 | 173.7 | -65.7 | -30 | 0 | 0 | 0 | 113.4 | N5 L9 K10 N11 | N5-D7 PolarHBondContact O-N 3.24Å; N5-D7 PolarHBondContact OD1-N 3.05Å; D7-L9 VanDerWaalsContact C-N 3.35Å; D7-K10 PolarHBondContact O-N 3.39Å; D7-K10 IonicContact OD1-NZ 3.02Å; D7-K10 PolarHBondContact OD1-NZ 3.45Å; D7-N11 WeakPolarHBondContact O-CB 3.42Å; D7-N11 PolarHBondContact O-N 3.03Å; D7-N11 PolarHBondContact O-ND2 2.83Å |
| 8 | S | 45.4 | Very low | 38.5 | Very low | 44 Ų | 44 | 95 Ų | 95 | 31% | 0.308 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -36 | 170 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | P4 N5 N11 I12 | P4-S8 WeakPolarHBondContact CB-OG 3.24Å; N5-S8 WeakPolarHBondContact O-CA 3.23Å; N5-S8 VanDerWaalsContact O-CB 3.28Å; N5-S8 WeakPolarHBondContact O-CB 3.25Å; N5-S8 PolarHBondContact O-N 3.12Å; N5-S8 PolarHBondContact O-OG 3.43Å; S8-N11 PolarHBondContact O-N 3.43Å; S8-I12 WeakPolarHBondContact O-CG1 3.37Å; S8-I12 PolarHBondContact O-N 2.92Å |
| 9 | L | 39.8 | Very low | 39.5 | Very low | 5 Ų | 5 | 94.6 Ų | 94.6 | 3% | 0.026 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 173.8 | -94.3 | 156.6 | 0 | 0 | 0 | 112 | N5 L6 D7 N11 T62 K65 | N5-L9 PolarHBondContact O-N 2.81Å; L6-L9 PolarHBondContact O-N 3.44Å; D7-L9 VanDerWaalsContact C-N 3.35Å; L9-N11 VanDerWaalsContact C-N 3.33Å; L9-T62 HydrophobicContact CD2-CG2 4.11Å; L9-K65 HydrophobicContact CD1-CB 3.99Å; L9-K65 HydrophobicContact CD2-CB 4.48Å; L9-K65 HydrophobicContact CD2-CD 3.96Å; L9-K65 HydrophobicContact CG-CD 4.41Å |
| 10 | K | 42.7 | Very low | 41.1 | Very low | 114 Ų | 114 | 92.8 Ų | 92.8 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 169.5 | -67.2 | 176.8 | -166.5 | 154.3 | 0 | 111.9 | L6 D7 A13 | L6-K10 PolarHBondContact O-N 3.09Å; D7-K10 PolarHBondContact O-N 3.39Å; D7-K10 IonicContact OD1-NZ 3.02Å; D7-K10 PolarHBondContact OD1-NZ 3.45Å; K10-A13 WeakPolarHBondContact O-CA 3.47Å; K10-A13 WeakPolarHBondContact O-CB 3.45Å; K10-A13 PolarHBondContact O-N 3.01Å; K10-A13 VanDerWaalsContact O-N 3.13Å |
| 11 | N | 38.8 | Very low | 42.8 | Very low | 108 Ų | 108 | 92 Ų | 92 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.4 | -27.6 | 178.6 | -70.8 | -18.3 | 0 | 0 | 0 | 113.3 | D7 S8 L9 A13 V14 | D7-N11 WeakPolarHBondContact O-CB 3.42Å; D7-N11 PolarHBondContact O-N 3.03Å; D7-N11 PolarHBondContact O-ND2 2.83Å; S8-N11 PolarHBondContact O-N 3.43Å; L9-N11 VanDerWaalsContact C-N 3.33Å; N11-A13 PolarHBondContact O-N 3.45Å; N11-V14 VanDerWaalsContact O-CB 3.26Å; N11-V14 WeakPolarHBondContact O-CB 3.37Å; N11-V14 WeakPolarHBondContact O-CG2 3.32Å; N11-V14 PolarHBondContact O-N 2.93Å |
| 12 | I | 41.5 | Very low | 45.4 | Very low | 88 Ų | 88 | 87.2 Ų | 87.2 | 45% | 0.451 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.6 | -29.3 | 166.8 | -69.1 | 166.8 | 0 | 0 | 0 | 110.4 | S8 V14 G15 | S8-I12 WeakPolarHBondContact O-CG1 3.37Å; S8-I12 PolarHBondContact O-N 2.92Å; I12-V14 PolarHBondContact O-N 3.48Å; I12-V14 VanDerWaalsContact O-N 3.11Å; I12-G15 PolarHBondContact O-N 3.2Å |
| 13 | A | 39.2 | Very low | 48.2 | Very low | 26 Ų | 26 | 83 Ų | 83 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 1.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K10 N11 K21 | K10-A13 WeakPolarHBondContact O-CA 3.47Å; K10-A13 WeakPolarHBondContact O-CB 3.45Å; K10-A13 PolarHBondContact O-N 3.01Å; K10-A13 VanDerWaalsContact O-N 3.13Å; N11-A13 PolarHBondContact O-N 3.45Å; A13-K21 HydrophobicContact CB-CD 4.48Å; A13-K21 HydrophobicContact CB-CG 4.17Å; A13-K21 WeakPolarHBondContact O-CD 3.43Å; A13-K21 WeakPolarHBondContact O-CE 3.47Å; A13-K21 PolarHBondContact O-NZ 3.19Å |
| 14 | V | 40 | Very low | 51.1 | Low | 110 Ų | 110 | 78.8 Ų | 78.8 | 67% | 0.667 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -20.3 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | N11 I12 | N11-V14 VanDerWaalsContact O-CB 3.26Å; N11-V14 WeakPolarHBondContact O-CB 3.37Å; N11-V14 WeakPolarHBondContact O-CG2 3.32Å; N11-V14 PolarHBondContact O-N 2.93Å; I12-V14 PolarHBondContact O-N 3.48Å; I12-V14 VanDerWaalsContact O-N 3.11Å |
| 15 | G | 33.4 | Very low | 53.6 | Low | 48 Ų | 48 | 79.3 Ų | 79.3 | 50% | 0.495 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -92.8 | 133.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I12 | I12-G15 PolarHBondContact O-N 3.2Š|
| 16 | K | 35.1 | Very low | 56.3 | Low | 185 Ų | 185 | 75.9 Ų | 75.9 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 22.4 | 121.2 | 166.5 | -64.5 | -178.8 | 178.6 | 177.8 | 0 | 118.7 | ||
| 17 | D | 47.8 | Very low | 58.9 | Low | 112 Ų | 112 | 71.2 Ų | 71.2 | 60% | 0.599 | 38% | 0.384 | S | S | * | . | trans | 81.9 | 111.1 | 169.7 | -51.6 | -27.2 | 0 | 0 | 0 | 117.6 | T19 N20 | D17-T19 PolarHBondContact O-N 2.94Å; D17-T19 VanDerWaalsContact O-N 3.12Å; D17-N20 PolarHBondContact O-N 3.22Å; D17-N20 VanDerWaalsContact O-N 3.14Å | ||
| 18 | N | 55.6 | Low | 61.3 | Low | 88 Ų | 88 | 69.5 Ų | 69.5 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59 | -26 | -176.1 | -154.8 | 21.3 | 0 | 0 | 0 | 113.4 | K21 Q22 L313 | N18-K21 PolarHBondContact O-N 3.28Å; N18-Q22 PolarHBondContact O-N 3.07Å; N18-L313 VanDerWaalsContact ND2-CD1 3.35Å; N18-L313 WeakPolarHBondContact ND2-CD1 3.46Å |
| 19 | T | 56.4 | Low | 63.5 | Low | 88 Ų | 88 | 73.2 Ų | 73.2 | 54% | 0.54 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 177.2 | 46.7 | 0 | 0 | 0 | 0 | 112 | D17 K21 Q22 Q23 | D17-T19 PolarHBondContact O-N 2.94Å; D17-T19 VanDerWaalsContact O-N 3.12Å; T19-K21 VanDerWaalsContact C-N 3.32Å; T19-K21 PolarHBondContact O-N 2.92Å; T19-Q22 PolarHBondContact O-N 3.38Å; T19-Q23 WeakPolarHBondContact O-CG 3.38Å; T19-Q23 PolarHBondContact O-N 3.01Å |
| 20 | N | 72.4 | Confident | 65.9 | Low | 58 Ų | 58 | 73 Ų | 73 | 31% | 0.31 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 178.5 | -70.1 | -20.9 | 0 | 0 | 0 | 111.5 | D17 Q22 Q23 V24 F58 | D17-N20 PolarHBondContact O-N 3.22Å; D17-N20 VanDerWaalsContact O-N 3.14Å; N20-Q22 PolarHBondContact O-N 2.92Å; N20-Q23 WeakPolarHBondContact O-CB 3.43Å; N20-Q23 PolarHBondContact O-N 3Å; N20-V24 WeakPolarHBondContact O-CG2 3.49Å; N20-V24 PolarHBondContact O-N 2.88Å; N20-F58 HydrophobicContact CB-CE2 4.15Å; N20-F58 HydrophobicContact CB-CZ 4.02Å |
| 21 | K | 75.1 | Confident | 68.4 | Low | 76 Ų | 76 | 67.8 Ų | 67.8 | 33% | 0.33 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 177.3 | -56.4 | -169.8 | -168.7 | -151.6 | 0 | 112.2 | A13 N18 T19 Q23 V24 V25 | A13-K21 HydrophobicContact CB-CD 4.48Å; A13-K21 HydrophobicContact CB-CG 4.17Å; A13-K21 WeakPolarHBondContact O-CD 3.43Å; A13-K21 WeakPolarHBondContact O-CE 3.47Å; A13-K21 PolarHBondContact O-NZ 3.19Å; N18-K21 PolarHBondContact O-N 3.28Å; T19-K21 VanDerWaalsContact C-N 3.32Å; T19-K21 PolarHBondContact O-N 2.92Å; K21-Q23 VanDerWaalsContact C-N 3.3Å; K21-Q23 PolarHBondContact O-N 3.5Å; K21-V24 PolarHBondContact O-N 2.93Å; K21-V25 WeakPolarHBondContact O-CG2 3.41Å; K21-V25 PolarHBondContact O-N 3.34Å; K21-V25 VanDerWaalsContact O-N 3.08Å |
| 22 | Q | 81.8 | Confident | 70.9 | Confident | 123 Ų | 123 | 64.2 Ų | 64.2 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 177.8 | -71.9 | -169.2 | -7.5 | 0 | 0 | 111.3 | N18 T19 N20 V25 H26 | N18-Q22 PolarHBondContact O-N 3.07Å; T19-Q22 PolarHBondContact O-N 3.38Å; N20-Q22 PolarHBondContact O-N 2.92Å; Q22-V25 PolarHBondContact O-N 2.69Å; Q22-H26 PolarHBondContact O-CD2 2.86Å; Q22-H26 PolarHBondContact O-N 2.92Å |
| 23 | Q | 86.5 | Confident | 73.3 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 15% | 0.15 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 176.5 | -65.5 | -178.4 | 34.5 | 0 | 0 | 112.1 | T19 N20 K21 V25 H26 I27 A49 F58 | T19-Q23 WeakPolarHBondContact O-CG 3.38Å; T19-Q23 PolarHBondContact O-N 3.01Å; N20-Q23 WeakPolarHBondContact O-CB 3.43Å; N20-Q23 PolarHBondContact O-N 3Å; K21-Q23 VanDerWaalsContact C-N 3.3Å; K21-Q23 PolarHBondContact O-N 3.5Å; Q23-V25 VanDerWaalsContact C-N 3.29Å; Q23-V25 PolarHBondContact O-N 3.4Å; Q23-H26 PolarHBondContact O-N 2.88Å; Q23-H26 VanDerWaalsContact O-N 3.13Å; Q23-I27 WeakPolarHBondContact O-CG1 3.24Å; Q23-I27 PolarHBondContact O-N 2.94Å; Q23-A49 VanDerWaalsContact CD-CB 3.43Å; Q23-A49 HydrophobicContact CG-CB 3.57Å; Q23-F58 HydrophobicContact CB-CD1 3.96Å; Q23-F58 HydrophobicContact CB-CE1 3.54Å; Q23-F58 HydrophobicContact CB-CZ 4.46Å |
| 24 | V | 88.1 | Confident | 75.7 | Confident | 8 Ų | 8 | 69 Ų | 69 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57 | -45.1 | 174 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | N20 K21 H26 I27 L28 F58 T62 | N20-V24 WeakPolarHBondContact O-CG2 3.49Å; N20-V24 PolarHBondContact O-N 2.88Å; K21-V24 PolarHBondContact O-N 2.93Å; V24-H26 VanDerWaalsContact C-N 3.34Å; V24-H26 PolarHBondContact O-N 3.4Å; V24-I27 PolarHBondContact O-N 3.35Å; V24-L28 HydrophobicContact CG1-CD1 3.71Å; V24-L28 HydrophobicContact CG1-CG 3.96Å; V24-L28 WeakPolarHBondContact O-CB 3.25Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.47Å; V24-L28 PolarHBondContact O-N 3.5Å; V24-F58 HydrophobicContact CG2-CE1 3.97Å; V24-F58 HydrophobicContact CG2-CZ 3.63Å; V24-T62 HydrophobicContact CG1-CG2 4.43Å; V24-T62 HydrophobicContact CG2-CG2 4.36Å |
| 25 | V | 89.1 | Confident | 78.2 | Confident | 66 Ų | 66 | 68 Ų | 68 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | K21 Q22 Q23 I27 K29 | K21-V25 WeakPolarHBondContact O-CG2 3.41Å; K21-V25 PolarHBondContact O-N 3.34Å; K21-V25 VanDerWaalsContact O-N 3.08Å; Q22-V25 PolarHBondContact O-N 2.69Å; Q23-V25 VanDerWaalsContact C-N 3.29Å; Q23-V25 PolarHBondContact O-N 3.4Å; V25-I27 VanDerWaalsContact C-N 3.35Å; V25-K29 HydrophobicContact CG1-CD 3.83Å; V25-K29 HydrophobicContact CG1-CG 4.3Å; V25-K29 VanDerWaalsContact O-CB 3.28Å; V25-K29 WeakPolarHBondContact O-CB 3.47Å; V25-K29 WeakPolarHBondContact O-CG 3.32Å; V25-K29 PolarHBondContact O-N 3.21Å |
| 26 | H | 93 | Very high | 80.9 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 175.7 | -75.7 | -70.1 | 0 | 0 | 0 | 112 | Q22 Q23 V24 G30 H42 I46 | Q22-H26 PolarHBondContact O-CD2 2.86Å; Q22-H26 PolarHBondContact O-N 2.92Å; Q23-H26 PolarHBondContact O-N 2.88Å; Q23-H26 VanDerWaalsContact O-N 3.13Å; V24-H26 VanDerWaalsContact C-N 3.34Å; V24-H26 PolarHBondContact O-N 3.4Å; H26-G30 WeakPolarHBondContact O-CA 3.42Å; H26-G30 PolarHBondContact O-N 3.41Å; H26-H42 AromaticContact ND1-ND1 3.38Å; H26-H42 PolarHBondContact ND1-ND1 2.97Å; H26-I46 HydrophobicContact CB-CG1 3.98Å |
| 27 | I | 93.5 | Very high | 83.6 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -51.3 | 177.2 | -64.1 | 169.1 | 0 | 0 | 0 | 110.7 | Q23 V24 V25 K29 G30 I31 I46 F58 F59 T62 A63 L66 | Q23-I27 WeakPolarHBondContact O-CG1 3.24Å; Q23-I27 PolarHBondContact O-N 2.94Å; V24-I27 PolarHBondContact O-N 3.35Å; V25-I27 VanDerWaalsContact C-N 3.35Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 2.93Å; I27-G30 PolarHBondContact O-N 3.4Å; I27-I31 HydrophobicContact CG2-CD1 4.41Å; I27-I31 PolarHBondContact O-N 2.92Å; I27-I46 HydrophobicContact CG1-CD1 4.13Å; I27-I46 HydrophobicContact CG1-CG1 4.02Å; I27-F58 HydrophobicContact CD1-CD1 4.23Å; I27-F58 HydrophobicContact CD1-CE1 4.27Å; I27-F59 HydrophobicContact CD1-CB 4.45Å; I27-F59 HydrophobicContact CD1-CD2 4.16Å; I27-F59 HydrophobicContact CG1-CD2 4.12Å; I27-T62 HydrophobicContact CB-CG2 4.34Å; I27-T62 HydrophobicContact CD1-CG2 3.99Å; I27-T62 HydrophobicContact CG2-CG2 4.03Å; I27-A63 HydrophobicContact CG2-CB 4.16Å; I27-L66 HydrophobicContact CG2-CD1 4.37Å |
| 28 | L | 92.9 | Very high | 85.7 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -37.6 | -179.2 | -66.9 | -177.6 | 0 | 0 | 0 | 112.7 | V24 T32 L66 | V24-L28 HydrophobicContact CG1-CD1 3.71Å; V24-L28 HydrophobicContact CG1-CG 3.96Å; V24-L28 WeakPolarHBondContact O-CB 3.25Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.47Å; V24-L28 PolarHBondContact O-N 3.5Å; L28-T32 VanDerWaalsContact O-CG2 3.32Å; L28-T32 WeakPolarHBondContact O-CG2 3.47Å; L28-L66 HydrophobicContact CD2-CD2 3.73Å |
| 29 | K | 91.1 | Very high | 87.3 | Confident | 122 Ų | 122 | 59.6 Ų | 59.6 | 53% | 0.53 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -84.5 | -18.5 | 177.2 | -66.9 | -174.7 | 175.1 | -178.5 | 0 | 113.5 | V25 I27 H42 | V25-K29 HydrophobicContact CG1-CD 3.83Å; V25-K29 HydrophobicContact CG1-CG 4.3Å; V25-K29 VanDerWaalsContact O-CB 3.28Å; V25-K29 WeakPolarHBondContact O-CB 3.47Å; V25-K29 WeakPolarHBondContact O-CG 3.32Å; V25-K29 PolarHBondContact O-N 3.21Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 2.93Å; K29-H42 WeakPolarHBondContact CB-NE2 3.38Å; K29-H42 VanDerWaalsContact CD-CE1 3.47Å; K29-H42 WeakPolarHBondContact CD-CE1 3.35Å |
| 30 | G | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -83.2 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H26 I27 P38 | H26-G30 WeakPolarHBondContact O-CA 3.42Å; H26-G30 PolarHBondContact O-N 3.41Å; I27-G30 PolarHBondContact O-N 3.4Å; G30-P38 VanDerWaalsContact O-CB 3.27Å; G30-P38 WeakPolarHBondContact O-CB 3.5Å |
| 31 | I | 94.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -113.4 | 78.5 | -176.7 | -52 | 178.9 | 0 | 0 | 0 | 108.9 | I27 F59 A63 L66 V74 K77 F78 V81 | I27-I31 HydrophobicContact CG2-CD1 4.41Å; I27-I31 PolarHBondContact O-N 2.92Å; I31-F59 HydrophobicContact CD1-CE2 3.72Å; I31-F59 HydrophobicContact CD1-CZ 4.07Å; I31-A63 HydrophobicContact CD1-CB 4.09Å; I31-L66 HydrophobicContact CB-CD1 3.65Å; I31-L66 HydrophobicContact CD1-CD1 4.27Å; I31-L66 HydrophobicContact CG2-CD1 3.66Å; I31-V74 HydrophobicContact CG2-CB 4.46Å; I31-V74 HydrophobicContact CG2-CG1 3.77Å; I31-V74 WeakPolarHBondContact CG2-O 3.25Å; I31-K77 HydrophobicContact CG2-CB 4.08Å; I31-F78 HydrophobicContact CD1-CB 4.32Å; I31-F78 HydrophobicContact CD1-CD2 4.33Å; I31-F78 HydrophobicContact CG2-CB 4.39Å; I31-V81 HydrophobicContact CD1-CG2 4.38Å; I31-V81 HydrophobicContact CG1-CG2 4.28Å |
| 32 | T | 92.6 | Very high | 90.7 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | trans | -104.7 | 162.1 | 177.8 | 62 | 0 | 0 | 0 | 0 | 111.7 | L28 H34 K77 | L28-T32 VanDerWaalsContact O-CG2 3.32Å; L28-T32 WeakPolarHBondContact O-CG2 3.47Å; T32-H34 VanDerWaalsContact C-N 3.34Å; T32-K77 WeakPolarHBondContact O-CD 3.43Å; T32-K77 PolarHBondContact O-NZ 3.36Å; T32-K77 PolarHBondContact OG1-NZ 3.33Å | ||
| 33 | D | 91.3 | Very high | 91.4 | Very high | 92 Ų | 92 | 57 Ų | 57 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -76.6 | -12.9 | 175.4 | 57.9 | -14.1 | 0 | 0 | 0 | 114.7 | N71 V74 | D33-N71 VanDerWaalsContact CB-ND2 3.26Å; D33-N71 WeakPolarHBondContact CB-ND2 3.32Å; D33-V74 HydrophobicContact CB-CG2 3.99Å |
| 34 | H | 90.1 | Very high | 91.7 | Very high | 122 Ų | 122 | 63.4 Ų | 63.4 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -69.2 | 134.1 | 176.6 | -59.3 | -53.6 | 0 | 0 | 0 | 112.7 | T32 V36 K77 | T32-H34 VanDerWaalsContact C-N 3.34Å; H34-V36 HydrophobicContact CB-CG2 4.1Å; H34-V36 PolarHBondContact O-N 2.67Å; H34-K77 PolarHBondContact O-NZ 2.56Å |
| 35 | E | 91 | Very high | 91.9 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -74.6 | 60.2 | 176.9 | -61.8 | -165.4 | 164 | 0 | 0 | 113.3 | V73 P199 S200 | E35-V73 HydrophobicContact CG-CG1 4.48Å; E35-V73 HydrophobicContact CG-CG2 3.69Å; E35-P199 CarbonylContact O-C 3.24Å; E35-P199 VanDerWaalsContact O-C 3.24Å; E35-S200 VanDerWaalsContact O-CA 3.26Å; E35-S200 WeakPolarHBondContact O-CA 3.33Å; E35-S200 PolarHBondContact O-N 3.04Å; E35-S200 WeakPolarHBondContact OE2-CB 3.49Å; E35-S200 PolarHBondContact OE2-OG 2.94Å |
| 36 | V | 91 | Very high | 92.2 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 38% | 0.382 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -133.3 | 145.6 | 174.9 | -59 | 0 | 0 | 0 | 0 | 108.9 | H34 K77 P199 | H34-V36 HydrophobicContact CB-CG2 4.1Å; H34-V36 PolarHBondContact O-N 2.67Å; V36-K77 WeakPolarHBondContact O-CE 3.47Å; V36-K77 PolarHBondContact O-NZ 2.92Å; V36-P199 HydrophobicContact CB-CB 4.36Å; V36-P199 HydrophobicContact CG1-CB 3.74Å |
| 37 | P | 91.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 60.2 Ų | 60.2 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 141.8 | 175.4 | 24.6 | -34.1 | 0 | 0 | 0 | 110.3 | K39 P199 Q202 L206 | P37-K39 PolarHBondContact O-N 3.44Å; P37-P199 WeakPolarHBondContact CD-O 3.38Å; P37-Q202 HydrophobicContact CG-CB 4.19Å; P37-L206 HydrophobicContact CB-CD1 4.45Å |
| 38 | P | 92.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 64.1 Ų | 64.1 | 8% | 0.078 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 135.3 | 179.6 | 29.9 | -34.4 | 0 | 0 | 0 | 109.9 | G30 I43 Y80 L206 | G30-P38 VanDerWaalsContact O-CB 3.27Å; G30-P38 WeakPolarHBondContact O-CB 3.5Å; P38-I43 HydrophobicContact CB-CD1 3.69Å; P38-I43 HydrophobicContact CB-CG1 3.88Å; P38-I43 HydrophobicContact CG-CD1 3.87Å; P38-I43 HydrophobicContact CG-CG1 3.88Å; P38-Y80 HydrophobicContact CG-CD1 4.15Å; P38-Y80 HydrophobicContact CG-CE1 3.92Å; P38-L206 HydrophobicContact CG-CD2 3.7Å |
| 39 | K | 89.5 | Confident | 92.1 | Very high | 147 Ų | 147 | 62.6 Ų | 62.6 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 131.6 | -178.7 | -65.1 | -174.9 | 177.4 | -176.8 | 0 | 110 | P37 K41 H42 I43 | P37-K39 PolarHBondContact O-N 3.44Å; K39-K41 PolarHBondContact O-N 3.3Å; K39-H42 PolarHBondContact O-N 2.93Å; K39-I43 PolarHBondContact O-N 3.43Å |
| 40 | P | 90.2 | Very high | 92.3 | Very high | 100 Ų | 100 | 57 Ų | 57 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -53.6 | -34.4 | -177.7 | -29.3 | 34.7 | 0 | 0 | 0 | 114.1 | H42 I43 R44 | P40-H42 VanDerWaalsContact C-N 3.29Å; P40-H42 PolarHBondContact O-N 3.46Å; P40-I43 PolarHBondContact O-N 3.44Å; P40-R44 VanDerWaalsContact O-CB 3.3Å; P40-R44 WeakPolarHBondContact O-CB 3.38Å; P40-R44 PolarHBondContact O-N 2.99Å |
| 41 | K | 90.9 | Very high | 92.3 | Very high | 158 Ų | 158 | 61.6 Ų | 61.6 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -56.1 | -39.8 | 174.5 | 178.9 | 178.5 | 178.1 | 175.1 | 0 | 113 | K39 G45 | K39-K41 PolarHBondContact O-N 3.3Å; K41-G45 PolarHBondContact O-N 3.39Å; K41-G45 VanDerWaalsContact O-N 3.11Å |
| 42 | H | 94.8 | Very high | 92 | Very high | 23 Ų | 23 | 68 Ų | 68 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.8 | -44.4 | -178.2 | -67.1 | -51 | 0 | 0 | 0 | 111.6 | H26 K29 K39 P40 R44 G45 I46 | H26-H42 AromaticContact ND1-ND1 3.38Å; H26-H42 PolarHBondContact ND1-ND1 2.97Å; K29-H42 WeakPolarHBondContact CB-NE2 3.38Å; K29-H42 VanDerWaalsContact CD-CE1 3.47Å; K29-H42 WeakPolarHBondContact CD-CE1 3.35Å; K39-H42 PolarHBondContact O-N 2.93Å; P40-H42 VanDerWaalsContact C-N 3.29Å; P40-H42 PolarHBondContact O-N 3.46Å; H42-R44 PolarHBondContact O-N 2.94Å; H42-G45 PolarHBondContact O-N 3.01Å; H42-G45 VanDerWaalsContact O-N 3.14Å; H42-I46 WeakPolarHBondContact O-CG1 3.38Å; H42-I46 PolarHBondContact O-N 3.22Å |
| 43 | I | 95.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.4 | -56.6 | -49 | 0 | 0 | 0 | 111.5 | P38 K39 P40 G45 I46 I47 Y80 V81 K84 | P38-I43 HydrophobicContact CB-CD1 3.69Å; P38-I43 HydrophobicContact CB-CG1 3.88Å; P38-I43 HydrophobicContact CG-CD1 3.87Å; P38-I43 HydrophobicContact CG-CG1 3.88Å; K39-I43 PolarHBondContact O-N 3.43Å; P40-I43 PolarHBondContact O-N 3.44Å; I43-G45 VanDerWaalsContact C-N 3.29Å; I43-G45 PolarHBondContact O-N 3.45Å; I43-I46 HydrophobicContact CD1-CD1 4.42Å; I43-I46 PolarHBondContact O-N 3.17Å; I43-I46 VanDerWaalsContact O-N 3.12Å; I43-I47 HydrophobicContact CG2-CD1 4.06Å; I43-I47 WeakPolarHBondContact O-CG1 3.49Å; I43-I47 PolarHBondContact O-N 2.94Å; I43-Y80 HydrophobicContact CD1-CE1 4.42Å; I43-Y80 HydrophobicContact CG1-CE1 4.34Å; I43-V81 HydrophobicContact CD1-CG2 3.7Å; I43-K84 HydrophobicContact CG2-CG 4.04Å |
| 44 | R | 93 | Very high | 91.5 | Very high | 168 Ų | 168 | 71.2 Ų | 71.2 | 63% | 0.634 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.9 | -39.9 | 174.4 | -175.9 | 174.9 | 178.7 | 169.2 | 0.4 | 112.2 | P40 H42 I46 I47 L48 | P40-R44 VanDerWaalsContact O-CB 3.3Å; P40-R44 WeakPolarHBondContact O-CB 3.38Å; P40-R44 PolarHBondContact O-N 2.99Å; H42-R44 PolarHBondContact O-N 2.94Å; R44-I46 VanDerWaalsContact C-N 3.34Å; R44-I46 PolarHBondContact O-N 2.96Å; R44-I47 PolarHBondContact O-N 2.94Å; R44-L48 HydrophobicContact CG-CD1 3.99Å; R44-L48 HydrophobicContact CG-CG 4.26Å; R44-L48 WeakPolarHBondContact O-CB 3.23Å; R44-L48 VanDerWaalsContact O-CG 3.29Å; R44-L48 WeakPolarHBondContact O-CG 3.36Å; R44-L48 PolarHBondContact O-N 3.29Å |
| 45 | G | 93.2 | Very high | 91.5 | Very high | 11 Ų | 11 | 67.1 Ų | 67.1 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K41 H42 I43 A49 | K41-G45 PolarHBondContact O-N 3.39Å; K41-G45 VanDerWaalsContact O-N 3.11Å; H42-G45 PolarHBondContact O-N 3.01Å; H42-G45 VanDerWaalsContact O-N 3.14Å; I43-G45 VanDerWaalsContact C-N 3.29Å; I43-G45 PolarHBondContact O-N 3.45Å; G45-A49 WeakPolarHBondContact O-CB 3.41Å; G45-A49 PolarHBondContact O-N 3.48Å |
| 46 | I | 94.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 174.4 | -59.8 | 169.8 | 0 | 0 | 0 | 110.4 | H26 I27 H42 I43 R44 A49 T50 F59 V81 L85 | H26-I46 HydrophobicContact CB-CG1 3.98Å; I27-I46 HydrophobicContact CG1-CD1 4.13Å; I27-I46 HydrophobicContact CG1-CG1 4.02Å; H42-I46 WeakPolarHBondContact O-CG1 3.38Å; H42-I46 PolarHBondContact O-N 3.22Å; I43-I46 HydrophobicContact CD1-CD1 4.42Å; I43-I46 PolarHBondContact O-N 3.17Å; I43-I46 VanDerWaalsContact O-N 3.12Å; R44-I46 VanDerWaalsContact C-N 3.34Å; R44-I46 PolarHBondContact O-N 2.96Å; I46-A49 WeakPolarHBondContact O-CB 3.33Å; I46-A49 PolarHBondContact O-N 2.89Å; I46-T50 WeakPolarHBondContact O-CG2 3.27Å; I46-T50 PolarHBondContact O-N 3.46Å; I46-F59 HydrophobicContact CG2-CD2 3.83Å; I46-F59 HydrophobicContact CG2-CE2 4.45Å; I46-F59 HydrophobicContact CG2-CG 4.38Å; I46-V81 HydrophobicContact CD1-CG1 4.23Å; I46-V81 HydrophobicContact CG2-CG1 4.16Å; I46-L85 HydrophobicContact CG2-CD1 4.31Å; I46-L85 HydrophobicContact CG2-CD2 4.25Å |
| 47 | I | 94.8 | Very high | 91.6 | Very high | 26 Ų | 26 | 61.7 Ų | 61.7 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.8 | -51.5 | 178.5 | -66.4 | 165.2 | 0 | 0 | 0 | 110.8 | I43 R44 A49 T50 F51 K84 L85 D88 | I43-I47 HydrophobicContact CG2-CD1 4.06Å; I43-I47 WeakPolarHBondContact O-CG1 3.49Å; I43-I47 PolarHBondContact O-N 2.94Å; R44-I47 PolarHBondContact O-N 2.94Å; I47-A49 PolarHBondContact O-N 3.26Å; I47-T50 WeakPolarHBondContact O-CB 3.48Å; I47-T50 PolarHBondContact O-N 2.95Å; I47-T50 PolarHBondContact O-OG1 3.48Å; I47-F51 HydrophobicContact CG2-CD2 4.25Å; I47-F51 HydrophobicContact CG2-CE2 3.87Å; I47-F51 WeakPolarHBondContact O-CD2 3.25Å; I47-F51 PolarHBondContact O-N 3.44Å; I47-K84 HydrophobicContact CD1-CG 4.06Å; I47-L85 HydrophobicContact CG1-CD2 4.26Å; I47-D88 HydrophobicContact CD1-CB 4.01Å; I47-D88 HydrophobicContact CG2-CB 4.44Å; I47-D88 VanDerWaalsContact CG2-O 3.28Å; I47-D88 WeakPolarHBondContact CG2-O 3.49Å |
| 48 | L | 92.5 | Very high | 91.6 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.3 | -34.7 | 179.2 | -70.6 | 174.1 | 0 | 0 | 0 | 112.3 | R44 T50 F51 N52 | R44-L48 HydrophobicContact CG-CD1 3.99Å; R44-L48 HydrophobicContact CG-CG 4.26Å; R44-L48 WeakPolarHBondContact O-CB 3.23Å; R44-L48 VanDerWaalsContact O-CG 3.29Å; R44-L48 WeakPolarHBondContact O-CG 3.36Å; R44-L48 PolarHBondContact O-N 3.29Å; L48-T50 VanDerWaalsContact C-N 3.27Å; L48-T50 PolarHBondContact O-N 2.81Å; L48-F51 PolarHBondContact O-N 3Å; L48-N52 PolarHBondContact O-N 3.45Å; L48-N52 VanDerWaalsContact O-N 3.07Å |
| 49 | A | 90.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 62 Ų | 62 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q23 G45 I46 I47 F51 N52 G53 | Q23-A49 VanDerWaalsContact CD-CB 3.43Å; Q23-A49 HydrophobicContact CG-CB 3.57Å; G45-A49 WeakPolarHBondContact O-CB 3.41Å; G45-A49 PolarHBondContact O-N 3.48Å; I46-A49 WeakPolarHBondContact O-CB 3.33Å; I46-A49 PolarHBondContact O-N 2.89Å; I47-A49 PolarHBondContact O-N 3.26Å; A49-F51 VanDerWaalsContact C-N 3.34Å; A49-F51 PolarHBondContact O-N 3.47Å; A49-N52 PolarHBondContact O-N 2.86Å; A49-G53 PolarHBondContact O-N 3.33Å |
| 50 | T | 93.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.5 | -30.9 | 177.5 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | I46 I47 L48 K54 S55 L85 H90 C93 | I46-T50 WeakPolarHBondContact O-CG2 3.27Å; I46-T50 PolarHBondContact O-N 3.46Å; I47-T50 WeakPolarHBondContact O-CB 3.48Å; I47-T50 PolarHBondContact O-N 2.95Å; I47-T50 PolarHBondContact O-OG1 3.48Å; L48-T50 VanDerWaalsContact C-N 3.27Å; L48-T50 PolarHBondContact O-N 2.81Å; T50-K54 CarbonylContact O-C 3.3Å; T50-K54 WeakPolarHBondContact O-CA 3.49Å; T50-K54 PolarHBondContact O-N 3.43Å; T50-S55 WeakPolarHBondContact CA-O 3.48Å; T50-S55 PolarHBondContact O-N 3.07Å; T50-L85 HydrophobicContact CG2-CD2 3.57Å; T50-H90 VanDerWaalsContact O-CB 3.31Å; T50-H90 WeakPolarHBondContact O-CB 3.44Å; T50-H90 PolarHBondContact OG1-N 2.96Å; T50-H90 VanDerWaalsContact OG1-N 3.14Å; T50-C93 VanDerWaalsContact CB-SG 3.52Å |
| 51 | F | 91.6 | Very high | 91.8 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73 | -39.8 | 173.4 | -75 | -85.6 | 0 | 0 | 0 | 111.9 | I47 L48 A49 D88 H90 | I47-F51 HydrophobicContact CG2-CD2 4.25Å; I47-F51 HydrophobicContact CG2-CE2 3.87Å; I47-F51 WeakPolarHBondContact O-CD2 3.25Å; I47-F51 PolarHBondContact O-N 3.44Å; L48-F51 PolarHBondContact O-N 3Å; A49-F51 VanDerWaalsContact C-N 3.34Å; A49-F51 PolarHBondContact O-N 3.47Å; F51-D88 VanDerWaalsContact CE2-O 3.3Å; F51-D88 WeakPolarHBondContact CE2-O 3.37Å; F51-H90 HydrophobicContact CD1-CB 4.24Å; F51-H90 AromaticContact CD1-CD2 4Å; F51-H90 HydrophobicContact CE1-CB 4.41Å; F51-H90 HydrophobicContact CG-CB 4.4Å |
| 52 | N | 87.2 | Confident | 91.8 | Very high | 138 Ų | 138 | 48.2 Ų | 48.2 | 74% | 0.738 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.7 | -43.6 | 177.4 | -69.3 | -15.3 | 0 | 0 | 0 | 112 | L48 A49 | L48-N52 PolarHBondContact O-N 3.45Å; L48-N52 VanDerWaalsContact O-N 3.07Å; A49-N52 PolarHBondContact O-N 2.86Å |
| 53 | G | 84.3 | Confident | 91.7 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -85.5 | -9.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A49 S55 | A49-G53 PolarHBondContact O-N 3.33Å; G53-S55 PolarHBondContact O-N 3.06Å; G53-S55 VanDerWaalsContact O-N 3.12Å |
| 54 | K | 89.7 | Confident | 91.6 | Very high | 142 Ų | 142 | 48.8 Ų | 48.8 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 25.4 | -171.6 | -60.6 | -178.4 | 178.9 | 176.8 | 0 | 114.2 | T50 H90 E92 | T50-K54 CarbonylContact O-C 3.3Å; T50-K54 WeakPolarHBondContact O-CA 3.49Å; T50-K54 PolarHBondContact O-N 3.43Å; K54-H90 PolarHBondContact O-ND1 2.98Å; K54-E92 VanDerWaalsContact O-CB 3.31Å; K54-E92 WeakPolarHBondContact O-CB 3.45Å; K54-E92 WeakPolarHBondContact O-CG 3.3Å |
| 55 | S | 90.9 | Very high | 91.4 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | trans | -160.9 | 153.4 | -176 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | T50 G53 S57 D96 | T50-S55 WeakPolarHBondContact CA-O 3.48Å; T50-S55 PolarHBondContact O-N 3.07Å; G53-S55 PolarHBondContact O-N 3.06Å; G53-S55 VanDerWaalsContact O-N 3.12Å; S55-S57 WeakPolarHBondContact OG-CB 3.44Å; S55-S57 PolarHBondContact OG-N 2.85Å; S55-D96 WeakPolarHBondContact CA-OD2 3.35Å; S55-D96 WeakPolarHBondContact CB-OD2 3.35Å; S55-D96 PolarHBondContact OG-OD2 3.5Å | ||
| 56 | S | 92.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -102 | 8.3 | 168.8 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | F58 F59 Y60 D96 | S56-F58 VanDerWaalsContact C-N 3.29Å; S56-F58 PolarHBondContact O-N 2.9Å; S56-F59 WeakPolarHBondContact O-CA 3.29Å; S56-F59 WeakPolarHBondContact O-CB 3.38Å; S56-F59 PolarHBondContact O-N 3.48Å; S56-Y60 VanDerWaalsContact O-CD2 3.3Å; S56-Y60 WeakPolarHBondContact O-CD2 3.29Å; S56-Y60 PolarHBondContact O-N 3.04Å; S56-Y60 VanDerWaalsContact O-N 3.15Å; S56-Y60 WeakPolarHBondContact OG-CE2 3.35Å; S56-D96 PolarHBondContact N-OD2 3.07Å; S56-D96 VanDerWaalsContact OG-CB 3.25Å; S56-D96 WeakPolarHBondContact OG-CB 3.38Å |
| 57 | S | 90.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 26% | 0.259 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -53.5 | -44.6 | 178.9 | -165.4 | 0 | 0 | 0 | 0 | 112.3 | S55 F59 Y60 E61 | S55-S57 WeakPolarHBondContact OG-CB 3.44Å; S55-S57 PolarHBondContact OG-N 2.85Å; S57-F59 VanDerWaalsContact C-N 3.27Å; S57-F59 PolarHBondContact O-N 2.7Å; S57-Y60 PolarHBondContact O-N 2.97Å; S57-Y60 VanDerWaalsContact O-N 3.12Å; S57-E61 WeakPolarHBondContact O-CB 3.11Å; S57-E61 WeakPolarHBondContact O-CG 3.49Å; S57-E61 PolarHBondContact O-N 3.23Å; S57-E61 PolarHBondContact OG-OE1 2.85Å |
| 58 | F | 90.2 | Very high | 91.1 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -36.7 | 178.6 | -172.5 | -94.5 | 0 | 0 | 0 | 113 | N20 Q23 V24 I27 S56 T62 | N20-F58 HydrophobicContact CB-CE2 4.15Å; N20-F58 HydrophobicContact CB-CZ 4.02Å; Q23-F58 HydrophobicContact CB-CD1 3.96Å; Q23-F58 HydrophobicContact CB-CE1 3.54Å; Q23-F58 HydrophobicContact CB-CZ 4.46Å; V24-F58 HydrophobicContact CG2-CE1 3.97Å; V24-F58 HydrophobicContact CG2-CZ 3.63Å; I27-F58 HydrophobicContact CD1-CD1 4.23Å; I27-F58 HydrophobicContact CD1-CE1 4.27Å; S56-F58 VanDerWaalsContact C-N 3.29Å; S56-F58 PolarHBondContact O-N 2.9Å; F58-T62 WeakPolarHBondContact O-CB 3.42Å; F58-T62 PolarHBondContact O-N 3.08Å; F58-T62 VanDerWaalsContact O-N 3.11Å; F58-T62 PolarHBondContact O-OG1 2.87Å |
| 59 | F | 94.9 | Very high | 91 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -50.7 | 174 | 164.9 | -98.4 | 0 | 0 | 0 | 110.5 | I27 I31 I46 S56 S57 T62 A63 F78 V81 I82 L85 | I27-F59 HydrophobicContact CD1-CB 4.45Å; I27-F59 HydrophobicContact CD1-CD2 4.16Å; I27-F59 HydrophobicContact CG1-CD2 4.12Å; I31-F59 HydrophobicContact CD1-CE2 3.72Å; I31-F59 HydrophobicContact CD1-CZ 4.07Å; I46-F59 HydrophobicContact CG2-CD2 3.83Å; I46-F59 HydrophobicContact CG2-CE2 4.45Å; I46-F59 HydrophobicContact CG2-CG 4.38Å; S56-F59 WeakPolarHBondContact O-CA 3.29Å; S56-F59 WeakPolarHBondContact O-CB 3.38Å; S56-F59 PolarHBondContact O-N 3.48Å; S57-F59 VanDerWaalsContact C-N 3.27Å; S57-F59 PolarHBondContact O-N 2.7Å; F59-T62 PolarHBondContact O-N 3.41Å; F59-A63 HydrophobicContact CD2-CB 4.19Å; F59-A63 HydrophobicContact CE1-CB 4.41Å; F59-A63 HydrophobicContact CE2-CB 3.79Å; F59-A63 HydrophobicContact CZ-CB 3.91Å; F59-A63 WeakPolarHBondContact O-CB 3.28Å; F59-A63 PolarHBondContact O-N 3.08Å; F59-F78 HydrophobicContact CE1-CD2 4.27Å; F59-F78 AromaticContact CE1-CE2 3.95Å; F59-F78 HydrophobicContact CE1-CE2 3.95Å; F59-F78 AromaticContact CZ-CD2 3.83Å; F59-F78 HydrophobicContact CZ-CD2 3.83Å; F59-F78 AromaticContact CZ-CE2 3.98Å; F59-F78 HydrophobicContact CZ-CE2 3.98Å; F59-V81 HydrophobicContact CD2-CG1 4.12Å; F59-V81 HydrophobicContact CE1-CG1 4.26Å; F59-V81 HydrophobicContact CE2-CB 4.06Å; F59-V81 HydrophobicContact CE2-CG1 3.36Å; F59-V81 HydrophobicContact CZ-CB 3.82Å; F59-V81 HydrophobicContact CZ-CG1 3.44Å; F59-V81 VanDerWaalsContact CZ-CG1 3.44Å; F59-I82 HydrophobicContact CE1-CG1 3.98Å; F59-L85 HydrophobicContact CB-CD1 4.27Å; F59-L85 HydrophobicContact CD1-CD1 3.5Å; F59-L85 HydrophobicContact CD2-CD1 4.29Å; F59-L85 HydrophobicContact CE1-CD1 3.88Å; F59-L85 HydrophobicContact CG-CD1 3.74Å; F59-L85 HydrophobicContact CZ-CD1 4.42Å |
| 60 | Y | 93.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 178.7 | -73.2 | -75.2 | 0 | 0 | 0 | 112 | S56 S57 T62 A63 L64 F78 I82 D96 G97 H100 | S56-Y60 VanDerWaalsContact O-CD2 3.3Å; S56-Y60 WeakPolarHBondContact O-CD2 3.29Å; S56-Y60 PolarHBondContact O-N 3.04Å; S56-Y60 VanDerWaalsContact O-N 3.15Å; S56-Y60 WeakPolarHBondContact OG-CE2 3.35Å; S57-Y60 PolarHBondContact O-N 2.97Å; S57-Y60 VanDerWaalsContact O-N 3.12Å; Y60-T62 PolarHBondContact O-N 3.44Å; Y60-A63 PolarHBondContact O-N 3.49Å; Y60-L64 WeakPolarHBondContact O-CB 3.47Å; Y60-L64 WeakPolarHBondContact O-CD1 3.32Å; Y60-L64 WeakPolarHBondContact O-CG 3.4Å; Y60-L64 PolarHBondContact O-N 2.83Å; Y60-F78 HydrophobicContact CD1-CZ 4.42Å; Y60-I82 HydrophobicContact CE1-CD1 3.85Å; Y60-I82 HydrophobicContact CE1-CG1 3.96Å; Y60-D96 HydrophobicContact CE2-CB 4.42Å; Y60-G97 WeakPolarHBondContact OH-CA 3.39Å; Y60-H100 WeakPolarHBondContact CB-NE2 3.36Å; Y60-H100 HydrophobicContact CD1-CB 4Å; Y60-H100 AromaticContact CD1-CD2 3.81Å; Y60-H100 AromaticContact CD1-CG 3.64Å; Y60-H100 AromaticContact CD1-ND1 3.96Å; Y60-H100 AromaticContact CD2-CE1 3.64Å; Y60-H100 AromaticContact CD2-ND1 3.53Å; Y60-H100 HydrophobicContact CE1-CB 3.81Å; Y60-H100 AromaticContact CE1-CG 3.92Å; Y60-H100 AromaticContact CE2-ND1 3.83Å; Y60-H100 AromaticContact CG-CD2 3.81Å; Y60-H100 AromaticContact CG-CE1 3.59Å; Y60-H100 AromaticContact CG-CG 3.75Å; Y60-H100 AromaticContact CG-ND1 3.61Å; Y60-H100 AromaticContact CG-NE2 3.74Å |
| 61 | E | 89.7 | Confident | 90.7 | Very high | 104 Ų | 104 | 51 Ų | 51 | 49% | 0.486 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.6 | -32.9 | 178.6 | -74.4 | 169.5 | -146.9 | 0 | 0 | 113.5 | S57 K65 | S57-E61 WeakPolarHBondContact O-CB 3.11Å; S57-E61 WeakPolarHBondContact O-CG 3.49Å; S57-E61 PolarHBondContact O-N 3.23Å; S57-E61 PolarHBondContact OG-OE1 2.85Å; E61-K65 WeakPolarHBondContact O-CD 3.34Å; E61-K65 WeakPolarHBondContact O-CE 3.32Å; E61-K65 WeakPolarHBondContact O-CG 3.3Å |
| 62 | T | 90.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -89.1 | -46.6 | -180 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | L9 V24 I27 F58 F59 Y60 L64 K65 | L9-T62 HydrophobicContact CD2-CG2 4.11Å; V24-T62 HydrophobicContact CG1-CG2 4.43Å; V24-T62 HydrophobicContact CG2-CG2 4.36Å; I27-T62 HydrophobicContact CB-CG2 4.34Å; I27-T62 HydrophobicContact CD1-CG2 3.99Å; I27-T62 HydrophobicContact CG2-CG2 4.03Å; F58-T62 WeakPolarHBondContact O-CB 3.42Å; F58-T62 PolarHBondContact O-N 3.08Å; F58-T62 VanDerWaalsContact O-N 3.11Å; F58-T62 PolarHBondContact O-OG1 2.87Å; F59-T62 PolarHBondContact O-N 3.41Å; Y60-T62 PolarHBondContact O-N 3.44Å; T62-L64 PolarHBondContact O-N 3.1Å; T62-K65 WeakPolarHBondContact O-CB 3.49Å; T62-K65 PolarHBondContact O-N 3.3Å |
| 63 | A | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.6 | -30.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I27 I31 F59 Y60 K65 L66 F78 | I27-A63 HydrophobicContact CG2-CB 4.16Å; I31-A63 HydrophobicContact CD1-CB 4.09Å; F59-A63 HydrophobicContact CD2-CB 4.19Å; F59-A63 HydrophobicContact CE1-CB 4.41Å; F59-A63 HydrophobicContact CE2-CB 3.79Å; F59-A63 HydrophobicContact CZ-CB 3.91Å; F59-A63 WeakPolarHBondContact O-CB 3.28Å; F59-A63 PolarHBondContact O-N 3.08Å; Y60-A63 PolarHBondContact O-N 3.49Å; A63-K65 PolarHBondContact O-N 3.42Å; A63-L66 VanDerWaalsContact O-CB 3.27Å; A63-L66 WeakPolarHBondContact O-CB 3.43Å; A63-L66 PolarHBondContact O-N 2.66Å; A63-F78 HydrophobicContact CB-CD2 3.73Å; A63-F78 HydrophobicContact CB-CE2 3.75Å |
| 64 | L | 92.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.5 | 173.7 | -70.5 | 172.2 | 0 | 0 | 0 | 113.4 | Y60 T62 L66 I68 F78 | Y60-L64 WeakPolarHBondContact O-CB 3.47Å; Y60-L64 WeakPolarHBondContact O-CD1 3.32Å; Y60-L64 WeakPolarHBondContact O-CG 3.4Å; Y60-L64 PolarHBondContact O-N 2.83Å; T62-L64 PolarHBondContact O-N 3.1Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-I68 HydrophobicContact CD2-CD1 3.62Å; L64-F78 HydrophobicContact CD2-CZ 3.99Å |
| 65 | K | 90.5 | Very high | 91.8 | Very high | 78 Ų | 78 | 32.5 Ų | 32.5 | 34% | 0.339 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.3 | 173.5 | -63.5 | 170.3 | -178.4 | 167 | 0 | 112.8 | P4 L9 E61 T62 A63 | P4-K65 HydrophobicContact CG-CB 4.16Å; P4-K65 HydrophobicContact CG-CG 4.3Å; L9-K65 HydrophobicContact CD1-CB 3.99Å; L9-K65 HydrophobicContact CD2-CB 4.48Å; L9-K65 HydrophobicContact CD2-CD 3.96Å; L9-K65 HydrophobicContact CG-CD 4.41Å; E61-K65 WeakPolarHBondContact O-CD 3.34Å; E61-K65 WeakPolarHBondContact O-CE 3.32Å; E61-K65 WeakPolarHBondContact O-CG 3.3Å; T62-K65 WeakPolarHBondContact O-CB 3.49Å; T62-K65 PolarHBondContact O-N 3.3Å; A63-K65 PolarHBondContact O-N 3.42Å |
| 66 | L | 91.6 | Very high | 92.1 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 12% | 0.12 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -76.2 | 166.4 | 174.8 | -60.5 | 175.7 | 0 | 0 | 0 | 110.7 | I27 L28 I31 A63 L64 I68 V74 | I27-L66 HydrophobicContact CG2-CD1 4.37Å; L28-L66 HydrophobicContact CD2-CD2 3.73Å; I31-L66 HydrophobicContact CB-CD1 3.65Å; I31-L66 HydrophobicContact CD1-CD1 4.27Å; I31-L66 HydrophobicContact CG2-CD1 3.66Å; A63-L66 VanDerWaalsContact O-CB 3.27Å; A63-L66 WeakPolarHBondContact O-CB 3.43Å; A63-L66 PolarHBondContact O-N 2.66Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L66-I68 HydrophobicContact CB-CG2 4.27Å; L66-I68 PolarHBondContact O-N 3.25Å; L66-V74 HydrophobicContact CB-CG1 3.89Å |
| 67 | A | 90.7 | Very high | 92.2 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 26% | 0.264 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -70.6 | 46.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y69 T70 N71 | A67-Y69 VanDerWaalsContact C-N 3.29Å; A67-Y69 PolarHBondContact O-N 3.16Å; A67-T70 WeakPolarHBondContact CB-OG1 3.11Å; A67-T70 PolarHBondContact O-N 3.21Å; A67-N71 HydrophobicContact CB-CB 4.21Å; A67-N71 WeakPolarHBondContact O-CB 3.48Å; A67-N71 PolarHBondContact O-N 3.22Å |
| 68 | I | 92.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.7 | -177 | 59.8 | 170.7 | 0 | 0 | 0 | 113.4 | L64 L66 V74 C75 F78 L107 W111 | L64-I68 HydrophobicContact CD2-CD1 3.62Å; L66-I68 HydrophobicContact CB-CG2 4.27Å; L66-I68 PolarHBondContact O-N 3.25Å; I68-V74 HydrophobicContact CG2-CG1 4.01Å; I68-C75 VanDerWaalsContact O-CB 3.29Å; I68-C75 WeakPolarHBondContact O-CB 3.37Å; I68-C75 PolarHBondContact O-SG 2.95Å; I68-F78 HydrophobicContact CD1-CD1 4.46Å; I68-F78 HydrophobicContact CD1-CE1 4.17Å; I68-F78 HydrophobicContact CD1-CZ 4.43Å; I68-F78 HydrophobicContact CG2-CB 3.91Å; I68-F78 HydrophobicContact CG2-CD1 4.16Å; I68-F78 HydrophobicContact CG2-CD2 4.41Å; I68-F78 HydrophobicContact CG2-CG 3.91Å; I68-L107 WeakPolarHBondContact O-CD1 3.43Å; I68-W111 PolarHBondContact O-NE1 3.24Å; I68-W111 VanDerWaalsContact O-NE1 3.09Å |
| 69 | Y | 90.8 | Very high | 92.9 | Very high | 95 Ų | 95 | 26.9 Ų | 26.9 | 37% | 0.373 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13.5 | 178.2 | -68.1 | -79 | 0 | 0 | 0 | 113.3 | A67 L107 A110 | A67-Y69 VanDerWaalsContact C-N 3.29Å; A67-Y69 PolarHBondContact O-N 3.16Å; Y69-L107 HydrophobicContact CD1-CD1 3.85Å; Y69-L107 HydrophobicContact CE1-CD1 3.89Å; Y69-L107 HydrophobicContact CG-CD1 4.45Å; Y69-A110 HydrophobicContact CD1-CB 4.01Å; Y69-A110 HydrophobicContact CE1-CB 4.44Å |
| 70 | T | 86.8 | Confident | 93 | Very high | 86 Ų | 86 | 27.4 Ų | 27.4 | 53% | 0.528 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -33.9 | -171.8 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | A67 | A67-T70 WeakPolarHBondContact CB-OG1 3.11Å; A67-T70 PolarHBondContact O-N 3.21Å |
| 71 | N | 90.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 27.3 Ų | 27.3 | 21% | 0.214 | 14% | 0.141 | C | C | . | . | trans | -104.7 | 119.5 | 179.5 | -175.2 | -55.7 | 0 | 0 | 0 | 111 | D33 A67 V73 V74 C75 | D33-N71 VanDerWaalsContact CB-ND2 3.26Å; D33-N71 WeakPolarHBondContact CB-ND2 3.32Å; A67-N71 HydrophobicContact CB-CB 4.21Å; A67-N71 WeakPolarHBondContact O-CB 3.48Å; A67-N71 PolarHBondContact O-N 3.22Å; N71-V73 PolarHBondContact O-N 2.87Å; N71-V73 WeakPolarHBondContact OD1-CB 3.44Å; N71-V73 PolarHBondContact OD1-N 3.36Å; N71-V74 HydrophobicContact CB-CB 3.95Å; N71-V74 HydrophobicContact CB-CG2 3.8Å; N71-V74 PolarHBondContact O-N 3.43Å; N71-V74 PolarHBondContact OD1-N 3.45Å; N71-C75 WeakPolarHBondContact O-CB 3.46Å; N71-C75 PolarHBondContact O-N 3.46Å | ||
| 72 | P | 92.8 | Very high | 93.5 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 20% | 0.195 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.9 | -34 | -175.3 | 26 | -33.1 | 0 | 0 | 0 | 113.2 | C75 W76 W111 C118 Y120 I122 | P72-C75 WeakPolarHBondContact O-CB 3.37Å; P72-C75 PolarHBondContact O-N 3.06Å; P72-W76 VanDerWaalsContact O-CB 3.27Å; P72-W76 WeakPolarHBondContact O-CB 3.46Å; P72-W76 PolarHBondContact O-N 2.8Å; P72-W111 HydrophobicContact CB-CH2 3.87Å; P72-W111 HydrophobicContact CB-CZ3 4.05Å; P72-W111 HydrophobicContact CG-CH2 4.43Å; P72-C118 HydrophobicContact CB-CB 3.95Å; P72-C118 HydrophobicContact CG-CB 4.39Å; P72-Y120 HydrophobicContact CB-CD2 4.35Å; P72-I122 HydrophobicContact CB-CD1 3.68Å |
| 73 | V | 93.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.7 | -42.5 | 179.5 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | E35 N71 C75 W76 K77 Y120 | E35-V73 HydrophobicContact CG-CG1 4.48Å; E35-V73 HydrophobicContact CG-CG2 3.69Å; N71-V73 PolarHBondContact O-N 2.87Å; N71-V73 WeakPolarHBondContact OD1-CB 3.44Å; N71-V73 PolarHBondContact OD1-N 3.36Å; V73-C75 VanDerWaalsContact C-N 3.33Å; V73-W76 PolarHBondContact O-N 3.21Å; V73-K77 HydrophobicContact CG1-CD 4.4Å; V73-K77 WeakPolarHBondContact O-CG 3.23Å; V73-K77 PolarHBondContact O-N 2.91Å; V73-Y120 HydrophobicContact CG2-CE2 3.91Å |
| 74 | V | 94.7 | Very high | 94 | Very high | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | I31 D33 L66 I68 N71 F78 | I31-V74 HydrophobicContact CG2-CB 4.46Å; I31-V74 HydrophobicContact CG2-CG1 3.77Å; I31-V74 WeakPolarHBondContact CG2-O 3.25Å; D33-V74 HydrophobicContact CB-CG2 3.99Å; L66-V74 HydrophobicContact CB-CG1 3.89Å; I68-V74 HydrophobicContact CG2-CG1 4.01Å; N71-V74 HydrophobicContact CB-CB 3.95Å; N71-V74 HydrophobicContact CB-CG2 3.8Å; N71-V74 PolarHBondContact O-N 3.43Å; N71-V74 PolarHBondContact OD1-N 3.45Å; V74-F78 VanDerWaalsContact O-CB 3.3Å; V74-F78 WeakPolarHBondContact O-CB 3.46Å; V74-F78 PolarHBondContact O-N 3.19Å |
| 75 | C | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 175.3 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | I68 N71 P72 V73 K77 F78 L79 L107 W111 I122 | I68-C75 VanDerWaalsContact O-CB 3.29Å; I68-C75 WeakPolarHBondContact O-CB 3.37Å; I68-C75 PolarHBondContact O-SG 2.95Å; N71-C75 WeakPolarHBondContact O-CB 3.46Å; N71-C75 PolarHBondContact O-N 3.46Å; P72-C75 WeakPolarHBondContact O-CB 3.37Å; P72-C75 PolarHBondContact O-N 3.06Å; V73-C75 VanDerWaalsContact C-N 3.33Å; C75-K77 PolarHBondContact O-N 2.95Å; C75-F78 WeakPolarHBondContact O-CB 3.4Å; C75-F78 PolarHBondContact O-N 2.84Å; C75-L79 WeakPolarHBondContact O-CG 3.2Å; C75-L79 PolarHBondContact O-N 3.36Å; C75-L107 VanDerWaalsContact SG-CD2 3.59Å; C75-W111 HydrophobicContact CB-CZ2 4.1Å; C75-W111 PolarHBondContact SG-NE1 2.88Å; C75-W111 VanDerWaalsContact SG-NE1 3.38Å; C75-I122 HydrophobicContact CB-CD1 4.08Å; C75-I122 VanDerWaalsContact SG-CG2 3.54Å |
| 76 | W | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 178.2 | -174.3 | -108 | 0 | 0 | 0 | 112.2 | P72 V73 L79 Y80 Y120 P121 I122 F125 F181 V185 C203 K204 P207 | P72-W76 VanDerWaalsContact O-CB 3.27Å; P72-W76 WeakPolarHBondContact O-CB 3.46Å; P72-W76 PolarHBondContact O-N 2.8Å; V73-W76 PolarHBondContact O-N 3.21Å; W76-L79 PolarHBondContact O-N 3.47Å; W76-Y80 PolarHBondContact O-N 3.45Å; W76-Y120 HydrophobicContact CB-CD1 3.9Å; W76-Y120 HydrophobicContact CB-CE1 4.3Å; W76-Y120 AromaticContact CD1-CD1 3.81Å; W76-Y120 AromaticContact CD1-CE1 3.75Å; W76-Y120 AromaticContact CD2-CD1 3.59Å; W76-Y120 HydrophobicContact CD2-CD1 3.59Å; W76-Y120 HydrophobicContact CD2-CE1 4.31Å; W76-Y120 AromaticContact CE2-CD1 3.95Å; W76-Y120 HydrophobicContact CE3-CD1 4.06Å; W76-Y120 AromaticContact CG-CD1 3.5Å; W76-Y120 HydrophobicContact CG-CD1 3.5Å; W76-Y120 AromaticContact CG-CE1 3.88Å; W76-Y120 HydrophobicContact CG-CE1 3.88Å; W76-Y120 HydrophobicContact CG-CG 4.48Å; W76-P121 HydrophobicContact CH2-CG 3.75Å; W76-P121 HydrophobicContact CZ3-CG 3.85Å; W76-I122 HydrophobicContact CE3-CG1 4.29Å; W76-F125 HydrophobicContact CD2-CD1 4.15Å; W76-F125 HydrophobicContact CD2-CE1 4.46Å; W76-F125 HydrophobicContact CE3-CB 4.48Å; W76-F125 AromaticContact CE3-CD1 3.65Å; W76-F125 HydrophobicContact CE3-CD1 3.65Å; W76-F125 HydrophobicContact CE3-CE1 4.39Å; W76-F125 AromaticContact CH2-CD1 4Å; W76-F125 HydrophobicContact CH2-CD1 4Å; W76-F125 HydrophobicContact CZ2-CD1 4.48Å; W76-F125 HydrophobicContact CZ3-CB 3.88Å; W76-F125 AromaticContact CZ3-CD1 3.56Å; W76-F125 HydrophobicContact CZ3-CD1 3.56Å; W76-F125 HydrophobicContact CZ3-CE1 4.45Å; W76-F125 HydrophobicContact CZ3-CG 4.1Å; W76-F181 AromaticContact CH2-CE2 3.99Å; W76-F181 HydrophobicContact CH2-CE2 3.99Å; W76-F181 AromaticContact CH2-CZ 3.56Å; W76-F181 HydrophobicContact CH2-CZ 3.56Å; W76-F181 HydrophobicContact CZ2-CZ 4.39Å; W76-F181 HydrophobicContact CZ3-CE2 4.29Å; W76-F181 HydrophobicContact CZ3-CZ 4.15Å; W76-V185 HydrophobicContact CH2-CG2 3.88Å; W76-V185 HydrophobicContact CZ2-CG2 4.37Å; W76-C203 PolarHBondContact NE1-O 3.36Å; W76-K204 VanDerWaalsContact CZ2-O 3.31Å; W76-K204 WeakPolarHBondContact CZ2-O 3.44Å; W76-P207 HydrophobicContact CH2-CG 4.24Å; W76-P207 HydrophobicContact CZ2-CB 4.42Å; W76-P207 HydrophobicContact CZ2-CG 3.45Å; W76-P207 VanDerWaalsContact CZ2-CG 3.45Å |
| 77 | K | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.1 | -37 | 176.8 | -71.9 | 177.3 | -174.6 | 169.3 | 0 | 112.4 | I31 T32 H34 V36 V73 C75 Y80 V81 | I31-K77 HydrophobicContact CG2-CB 4.08Å; T32-K77 WeakPolarHBondContact O-CD 3.43Å; T32-K77 PolarHBondContact O-NZ 3.36Å; T32-K77 PolarHBondContact OG1-NZ 3.33Å; H34-K77 PolarHBondContact O-NZ 2.56Å; V36-K77 WeakPolarHBondContact O-CE 3.47Å; V36-K77 PolarHBondContact O-NZ 2.92Å; V73-K77 HydrophobicContact CG1-CD 4.4Å; V73-K77 WeakPolarHBondContact O-CG 3.23Å; V73-K77 PolarHBondContact O-N 2.91Å; C75-K77 PolarHBondContact O-N 2.95Å; K77-Y80 PolarHBondContact O-N 3.38Å; K77-V81 VanDerWaalsContact O-CG2 3.29Å; K77-V81 WeakPolarHBondContact O-CG2 3.49Å; K77-V81 PolarHBondContact O-N 3.26Å |
| 78 | F | 97 | Very high | 94.6 | Very high | 6 Ų | 6 | 18.9 Ų | 18.9 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 174.2 | 169.5 | -108.6 | 0 | 0 | 0 | 111.5 | I31 F59 Y60 A63 L64 I68 V74 C75 Y80 V81 I82 L107 | I31-F78 HydrophobicContact CD1-CB 4.32Å; I31-F78 HydrophobicContact CD1-CD2 4.33Å; I31-F78 HydrophobicContact CG2-CB 4.39Å; F59-F78 HydrophobicContact CE1-CD2 4.27Å; F59-F78 AromaticContact CE1-CE2 3.95Å; F59-F78 HydrophobicContact CE1-CE2 3.95Å; F59-F78 AromaticContact CZ-CD2 3.83Å; F59-F78 HydrophobicContact CZ-CD2 3.83Å; F59-F78 AromaticContact CZ-CE2 3.98Å; F59-F78 HydrophobicContact CZ-CE2 3.98Å; Y60-F78 HydrophobicContact CD1-CZ 4.42Å; A63-F78 HydrophobicContact CB-CD2 3.73Å; A63-F78 HydrophobicContact CB-CE2 3.75Å; L64-F78 HydrophobicContact CD2-CZ 3.99Å; I68-F78 HydrophobicContact CD1-CD1 4.46Å; I68-F78 HydrophobicContact CD1-CE1 4.17Å; I68-F78 HydrophobicContact CD1-CZ 4.43Å; I68-F78 HydrophobicContact CG2-CB 3.91Å; I68-F78 HydrophobicContact CG2-CD1 4.16Å; I68-F78 HydrophobicContact CG2-CD2 4.41Å; I68-F78 HydrophobicContact CG2-CG 3.91Å; V74-F78 VanDerWaalsContact O-CB 3.3Å; V74-F78 WeakPolarHBondContact O-CB 3.46Å; V74-F78 PolarHBondContact O-N 3.19Å; C75-F78 WeakPolarHBondContact O-CB 3.4Å; C75-F78 PolarHBondContact O-N 2.84Å; F78-Y80 PolarHBondContact O-N 3.42Å; F78-V81 PolarHBondContact O-N 2.89Å; F78-I82 HydrophobicContact CD1-CD1 4.04Å; F78-I82 HydrophobicContact CD2-CD1 4.45Å; F78-I82 HydrophobicContact CE1-CD1 3.49Å; F78-I82 VanDerWaalsContact CE1-CD1 3.49Å; F78-I82 HydrophobicContact CE2-CD1 3.95Å; F78-I82 HydrophobicContact CE2-CG1 4.36Å; F78-I82 HydrophobicContact CZ-CD1 3.46Å; F78-I82 VanDerWaalsContact CZ-CD1 3.46Å; F78-I82 HydrophobicContact CZ-CG1 4.34Å; F78-I82 WeakPolarHBondContact O-CG1 3.27Å; F78-I82 PolarHBondContact O-N 3.3Å; F78-L107 HydrophobicContact CD1-CD2 4.19Å; F78-L107 HydrophobicContact CE1-CD2 4.2Å |
| 79 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 176.7 | -69.5 | 170.7 | 0 | 0 | 0 | 112.2 | C75 W76 V81 I82 H83 L107 I122 F125 | C75-L79 WeakPolarHBondContact O-CG 3.2Å; C75-L79 PolarHBondContact O-N 3.36Å; W76-L79 PolarHBondContact O-N 3.47Å; L79-V81 PolarHBondContact O-N 3.13Å; L79-I82 WeakPolarHBondContact O-CB 3.39Å; L79-I82 PolarHBondContact O-N 3.2Å; L79-H83 PolarHBondContact O-N 2.67Å; L79-L107 HydrophobicContact CD1-CD2 4.47Å; L79-L107 HydrophobicContact CD2-CD2 4.05Å; L79-L107 HydrophobicContact CG-CD2 4.31Å; L79-I122 HydrophobicContact CD1-CG2 4.04Å; L79-F125 HydrophobicContact CB-CD1 3.44Å; L79-F125 VanDerWaalsContact CB-CD1 3.44Å; L79-F125 HydrophobicContact CB-CD2 4.49Å; L79-F125 HydrophobicContact CB-CE1 3.46Å; L79-F125 VanDerWaalsContact CB-CE1 3.46Å; L79-F125 HydrophobicContact CB-CG 4Å; L79-F125 HydrophobicContact CB-CZ 4.02Å; L79-F125 HydrophobicContact CD1-CB 3.96Å; L79-F125 HydrophobicContact CD1-CD1 3.89Å; L79-F125 HydrophobicContact CD1-CG 4.05Å; L79-F125 HydrophobicContact CG-CD1 4.31Å |
| 80 | Y | 97.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 16.1 Ų | 16.1 | 6% | 0.063 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.1 | -46 | 172.5 | 167 | -104 | 0 | 0 | 0 | 112.3 | P38 I43 W76 K77 F78 I82 H83 K84 L206 P207 Q210 | P38-Y80 HydrophobicContact CG-CD1 4.15Å; P38-Y80 HydrophobicContact CG-CE1 3.92Å; I43-Y80 HydrophobicContact CD1-CE1 4.42Å; I43-Y80 HydrophobicContact CG1-CE1 4.34Å; W76-Y80 PolarHBondContact O-N 3.45Å; K77-Y80 PolarHBondContact O-N 3.38Å; F78-Y80 PolarHBondContact O-N 3.42Å; Y80-I82 VanDerWaalsContact C-N 3.32Å; Y80-I82 PolarHBondContact O-N 3.2Å; Y80-H83 WeakPolarHBondContact O-CB 3.34Å; Y80-H83 PolarHBondContact O-N 3.3Å; Y80-K84 WeakPolarHBondContact O-CB 3.42Å; Y80-K84 PolarHBondContact O-N 2.96Å; Y80-L206 HydrophobicContact CD1-CD2 3.47Å; Y80-L206 VanDerWaalsContact CD1-CD2 3.47Å; Y80-L206 HydrophobicContact CD1-CG 4.3Å; Y80-L206 HydrophobicContact CD2-CD2 3.81Å; Y80-L206 HydrophobicContact CD2-CG 3.8Å; Y80-L206 HydrophobicContact CE1-CD2 3.48Å; Y80-L206 VanDerWaalsContact CE1-CD2 3.48Å; Y80-L206 HydrophobicContact CE1-CG 4.07Å; Y80-L206 HydrophobicContact CE2-CD1 4.18Å; Y80-L206 HydrophobicContact CE2-CD2 3.83Å; Y80-L206 HydrophobicContact CE2-CG 3.55Å; Y80-L206 HydrophobicContact CG-CD2 3.62Å; Y80-L206 HydrophobicContact CG-CG 4.16Å; Y80-P207 HydrophobicContact CD2-CG 4.39Å; Y80-Q210 HydrophobicContact CE2-CG 4.14Å |
| 81 | V | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.8 | -36.8 | 179 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | I31 I43 I46 F59 K77 F78 L79 K84 L85 | I31-V81 HydrophobicContact CD1-CG2 4.38Å; I31-V81 HydrophobicContact CG1-CG2 4.28Å; I43-V81 HydrophobicContact CD1-CG2 3.7Å; I46-V81 HydrophobicContact CD1-CG1 4.23Å; I46-V81 HydrophobicContact CG2-CG1 4.16Å; F59-V81 HydrophobicContact CD2-CG1 4.12Å; F59-V81 HydrophobicContact CE1-CG1 4.26Å; F59-V81 HydrophobicContact CE2-CB 4.06Å; F59-V81 HydrophobicContact CE2-CG1 3.36Å; F59-V81 HydrophobicContact CZ-CB 3.82Å; F59-V81 HydrophobicContact CZ-CG1 3.44Å; F59-V81 VanDerWaalsContact CZ-CG1 3.44Å; K77-V81 VanDerWaalsContact O-CG2 3.29Å; K77-V81 WeakPolarHBondContact O-CG2 3.49Å; K77-V81 PolarHBondContact O-N 3.26Å; F78-V81 PolarHBondContact O-N 2.89Å; L79-V81 PolarHBondContact O-N 3.13Å; V81-K84 PolarHBondContact O-N 3.05Å; V81-L85 HydrophobicContact CG1-CD1 4.06Å; V81-L85 HydrophobicContact CG1-CG 4.16Å; V81-L85 WeakPolarHBondContact O-CB 3.39Å; V81-L85 VanDerWaalsContact O-CG 3.26Å; V81-L85 WeakPolarHBondContact O-CG 3.42Å; V81-L85 PolarHBondContact O-N 3.24Å |
| 82 | I | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.5 | -51.9 | 170.8 | -69.5 | 172.1 | 0 | 0 | 0 | 110.2 | F59 Y60 F78 L79 Y80 K84 L85 F86 I129 | F59-I82 HydrophobicContact CE1-CG1 3.98Å; Y60-I82 HydrophobicContact CE1-CD1 3.85Å; Y60-I82 HydrophobicContact CE1-CG1 3.96Å; F78-I82 HydrophobicContact CD1-CD1 4.04Å; F78-I82 HydrophobicContact CD2-CD1 4.45Å; F78-I82 HydrophobicContact CE1-CD1 3.49Å; F78-I82 VanDerWaalsContact CE1-CD1 3.49Å; F78-I82 HydrophobicContact CE2-CD1 3.95Å; F78-I82 HydrophobicContact CE2-CG1 4.36Å; F78-I82 HydrophobicContact CZ-CD1 3.46Å; F78-I82 VanDerWaalsContact CZ-CD1 3.46Å; F78-I82 HydrophobicContact CZ-CG1 4.34Å; F78-I82 WeakPolarHBondContact O-CG1 3.27Å; F78-I82 PolarHBondContact O-N 3.3Å; L79-I82 WeakPolarHBondContact O-CB 3.39Å; L79-I82 PolarHBondContact O-N 3.2Å; Y80-I82 VanDerWaalsContact C-N 3.32Å; Y80-I82 PolarHBondContact O-N 3.2Å; I82-K84 VanDerWaalsContact C-N 3.25Å; I82-K84 PolarHBondContact O-N 3.24Å; I82-L85 PolarHBondContact O-N 2.78Å; I82-L85 VanDerWaalsContact O-N 3.12Å; I82-F86 HydrophobicContact CG2-CD2 3.89Å; I82-F86 HydrophobicContact CG2-CE2 3.86Å; I82-F86 WeakPolarHBondContact O-CD2 3.43Å; I82-F86 PolarHBondContact O-N 3.24Å; I82-I129 HydrophobicContact CG2-CD1 4.48Å; I82-I129 HydrophobicContact CG2-CG2 4.03Å |
| 83 | H | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55.5 | -44.6 | 179.6 | -160.5 | 172 | 0 | 0 | 0 | 111.4 | L79 Y80 F86 R87 F125 I129 Q210 D214 | L79-H83 PolarHBondContact O-N 2.67Å; Y80-H83 WeakPolarHBondContact O-CB 3.34Å; Y80-H83 PolarHBondContact O-N 3.3Å; H83-F86 WeakPolarHBondContact O-CB 3.41Å; H83-F86 PolarHBondContact O-N 3.44Å; H83-R87 PolarHBondContact O-N 3.16Å; H83-F125 HydrophobicContact CB-CE2 4.37Å; H83-F125 HydrophobicContact CB-CZ 4.31Å; H83-F125 AromaticContact ND1-CE2 3.76Å; H83-I129 HydrophobicContact CB-CD1 3.79Å; H83-Q210 VanDerWaalsContact CE1-CB 3.47Å; H83-Q210 WeakPolarHBondContact CE1-CB 3.4Å; H83-D214 IonicContact CD2-OD2 3.08Å; H83-D214 IonicContact CE1-OD2 2.73Å; H83-D214 IonicContact NE2-OD2 3.96Å; H83-D214 PolarHBondContact NE2-OD2 3.12Å |
| 84 | K | 95.9 | Very high | 95 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 7% | 0.074 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.1 | -163.2 | 61.8 | 164.2 | 159.7 | 0 | 112.5 | I43 I47 Y80 V81 I82 R87 D88 Q210 | I43-K84 HydrophobicContact CG2-CG 4.04Å; I47-K84 HydrophobicContact CD1-CG 4.06Å; Y80-K84 WeakPolarHBondContact O-CB 3.42Å; Y80-K84 PolarHBondContact O-N 2.96Å; V81-K84 PolarHBondContact O-N 3.05Å; I82-K84 VanDerWaalsContact C-N 3.25Å; I82-K84 PolarHBondContact O-N 3.24Å; K84-R87 PolarHBondContact O-N 2.88Å; K84-D88 VanDerWaalsContact CD-OD2 3.3Å; K84-D88 WeakPolarHBondContact CD-OD2 3.42Å; K84-D88 WeakPolarHBondContact CE-OD2 3.38Å; K84-D88 IonicContact NZ-OD2 2.73Å; K84-D88 PolarHBondContact NZ-OD2 3.35Å; K84-D88 PolarHBondContact O-N 3.34Å; K84-Q210 VanDerWaalsContact CD-CD 3.43Å; K84-Q210 HydrophobicContact CD-CG 4.21Å |
| 85 | L | 95.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.4 | -32.9 | 177.3 | -78.2 | 179.2 | 0 | 0 | 0 | 113 | I46 I47 T50 F59 V81 I82 R87 G89 C93 | I46-L85 HydrophobicContact CG2-CD1 4.31Å; I46-L85 HydrophobicContact CG2-CD2 4.25Å; I47-L85 HydrophobicContact CG1-CD2 4.26Å; T50-L85 HydrophobicContact CG2-CD2 3.57Å; F59-L85 HydrophobicContact CB-CD1 4.27Å; F59-L85 HydrophobicContact CD1-CD1 3.5Å; F59-L85 HydrophobicContact CD2-CD1 4.29Å; F59-L85 HydrophobicContact CE1-CD1 3.88Å; F59-L85 HydrophobicContact CG-CD1 3.74Å; F59-L85 HydrophobicContact CZ-CD1 4.42Å; V81-L85 HydrophobicContact CG1-CD1 4.06Å; V81-L85 HydrophobicContact CG1-CG 4.16Å; V81-L85 WeakPolarHBondContact O-CB 3.39Å; V81-L85 VanDerWaalsContact O-CG 3.26Å; V81-L85 WeakPolarHBondContact O-CG 3.42Å; V81-L85 PolarHBondContact O-N 3.24Å; I82-L85 PolarHBondContact O-N 2.78Å; I82-L85 VanDerWaalsContact O-N 3.12Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-G89 VanDerWaalsContact O-CA 3.3Å; L85-G89 WeakPolarHBondContact O-CA 3.34Å; L85-G89 PolarHBondContact O-N 3.48Å; L85-G89 VanDerWaalsContact O-N 3.1Å; L85-C93 WeakPolarHBondContact O-CB 3.49Å |
| 86 | F | 94.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 170 | -94.7 | -106.2 | 0 | 0 | 0 | 110.4 | I82 H83 V94 K132 I133 H136 G144 | I82-F86 HydrophobicContact CG2-CD2 3.89Å; I82-F86 HydrophobicContact CG2-CE2 3.86Å; I82-F86 WeakPolarHBondContact O-CD2 3.43Å; I82-F86 PolarHBondContact O-N 3.24Å; H83-F86 WeakPolarHBondContact O-CB 3.41Å; H83-F86 PolarHBondContact O-N 3.44Å; F86-V94 HydrophobicContact CD1-CG1 4.39Å; F86-V94 HydrophobicContact CD1-CG2 4.19Å; F86-V94 HydrophobicContact CE1-CB 4.49Å; F86-V94 HydrophobicContact CE1-CG1 4.04Å; F86-K132 HydrophobicContact CD1-CG 4.48Å; F86-I133 HydrophobicContact CE1-CG1 4.19Å; F86-I133 HydrophobicContact CE2-CG1 4.45Å; F86-I133 HydrophobicContact CZ-CD1 4.36Å; F86-I133 HydrophobicContact CZ-CG1 3.64Å; F86-H136 AromaticContact CD1-CD2 3.97Å; F86-H136 AromaticContact CE1-CD2 4Å; F86-G144 CarbonylContact O-C 3.44Å; F86-G144 VanDerWaalsContact O-C 3.3Å; F86-G144 WeakPolarHBondContact O-CA 3.46Å |
| 87 | R | 93.9 | Very high | 94.5 | Very high | 23 Ų | 23 | 24.3 Ų | 24.3 | 9% | 0.087 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -79.6 | -51.2 | -174.1 | -176.1 | 161.7 | -174.7 | 97.4 | 16.6 | 114.1 | H83 K84 L85 S145 E147 D214 | H83-R87 PolarHBondContact O-N 3.16Å; K84-R87 PolarHBondContact O-N 2.88Å; L85-R87 VanDerWaalsContact C-N 3.3Å; R87-S145 PolarHBondContact NH1-O 3.13Å; R87-E147 IonicContact CZ-OE1 3.47Å; R87-E147 IonicContact NH2-OE1 3.76Å; R87-E147 PolarHBondContact NH2-OE1 2.92Å; R87-D214 IonicContact CZ-OD1 2.72Å; R87-D214 IonicContact NH1-OD1 2.58Å; R87-D214 PolarHBondContact NH1-OD1 3.12Å |
| 88 | D | 93.8 | Very high | 94.2 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 31% | 0.305 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -107.6 | -6.7 | -168.7 | -63.3 | -26.2 | 0 | 0 | 0 | 113.7 | I47 F51 K84 | I47-D88 HydrophobicContact CD1-CB 4.01Å; I47-D88 HydrophobicContact CG2-CB 4.44Å; I47-D88 VanDerWaalsContact CG2-O 3.28Å; I47-D88 WeakPolarHBondContact CG2-O 3.49Å; F51-D88 VanDerWaalsContact CE2-O 3.3Å; F51-D88 WeakPolarHBondContact CE2-O 3.37Å; K84-D88 VanDerWaalsContact CD-OD2 3.3Å; K84-D88 WeakPolarHBondContact CD-OD2 3.42Å; K84-D88 WeakPolarHBondContact CE-OD2 3.38Å; K84-D88 IonicContact NZ-OD2 2.73Å; K84-D88 PolarHBondContact NZ-OD2 3.35Å; K84-D88 PolarHBondContact O-N 3.34Å |
| 89 | G | 92.8 | Very high | 94 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -76.9 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L85 | L85-G89 VanDerWaalsContact O-CA 3.3Å; L85-G89 WeakPolarHBondContact O-CA 3.34Å; L85-G89 PolarHBondContact O-N 3.48Å; L85-G89 VanDerWaalsContact O-N 3.1Å |
| 90 | H | 94.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 11% | 0.111 | 16% | 0.164 | C | C | . | . | trans | -56.8 | 149.4 | 168.8 | -175.2 | -99 | 0 | 0 | 0 | 110.9 | T50 F51 K54 E92 C93 | T50-H90 VanDerWaalsContact O-CB 3.31Å; T50-H90 WeakPolarHBondContact O-CB 3.44Å; T50-H90 PolarHBondContact OG1-N 2.96Å; T50-H90 VanDerWaalsContact OG1-N 3.14Å; F51-H90 HydrophobicContact CD1-CB 4.24Å; F51-H90 AromaticContact CD1-CD2 4Å; F51-H90 HydrophobicContact CE1-CB 4.41Å; F51-H90 HydrophobicContact CG-CB 4.4Å; K54-H90 PolarHBondContact O-ND1 2.98Å; H90-E92 PolarHBondContact ND1-N 3.1Å; H90-E92 PolarHBondContact O-N 3.31Å; H90-C93 WeakPolarHBondContact O-CB 3.42Å; H90-C93 PolarHBondContact O-N 3.39Å; H90-C93 PolarHBondContact O-SG 2.97Å | ||
| 91 | R | 89.5 | Confident | 93.5 | Very high | 195 Ų | 195 | 35.8 Ų | 35.8 | 74% | 0.736 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -34 | -176.9 | 68.1 | -177.6 | -175.7 | -139 | 0.4 | 114.6 | C93 V94 | R91-C93 PolarHBondContact O-N 2.56Å; R91-V94 PolarHBondContact O-N 3.25Å |
| 92 | E | 91.2 | Very high | 93.2 | Very high | 75 Ų | 75 | 40.1 Ų | 40.1 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.6 | -16.7 | 177.9 | -64.6 | -58.5 | 139.7 | 0 | 0 | 113.2 | K54 H90 V94 S95 D96 | K54-E92 VanDerWaalsContact O-CB 3.31Å; K54-E92 WeakPolarHBondContact O-CB 3.45Å; K54-E92 WeakPolarHBondContact O-CG 3.3Å; H90-E92 PolarHBondContact ND1-N 3.1Å; H90-E92 PolarHBondContact O-N 3.31Å; E92-V94 PolarHBondContact O-N 3.28Å; E92-S95 WeakPolarHBondContact O-CB 3.45Å; E92-S95 PolarHBondContact O-N 3.19Å; E92-D96 PolarHBondContact O-N 3.23Å |
| 93 | C | 93.5 | Very high | 93 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -31.5 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | T50 L85 H90 R91 G97 | T50-C93 VanDerWaalsContact CB-SG 3.52Å; L85-C93 WeakPolarHBondContact O-CB 3.49Å; H90-C93 WeakPolarHBondContact O-CB 3.42Å; H90-C93 PolarHBondContact O-N 3.39Å; H90-C93 PolarHBondContact O-SG 2.97Å; R91-C93 PolarHBondContact O-N 2.56Å; C93-G97 PolarHBondContact O-N 3.25Å |
| 94 | V | 93.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -51.5 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | F86 R91 E92 D96 G97 L98 H136 | F86-V94 HydrophobicContact CD1-CG1 4.39Å; F86-V94 HydrophobicContact CD1-CG2 4.19Å; F86-V94 HydrophobicContact CE1-CB 4.49Å; F86-V94 HydrophobicContact CE1-CG1 4.04Å; R91-V94 PolarHBondContact O-N 3.25Å; E92-V94 PolarHBondContact O-N 3.28Å; V94-D96 PolarHBondContact O-N 3.37Å; V94-G97 CarbonylContact O-C 3.51Å; V94-G97 WeakPolarHBondContact O-CA 3.26Å; V94-G97 PolarHBondContact O-N 3.33Å; V94-G97 VanDerWaalsContact O-N 3.11Å; V94-L98 WeakPolarHBondContact O-CG 3.31Å; V94-L98 PolarHBondContact O-N 3.31Å; V94-H136 HydrophobicContact CG1-CB 3.81Å |
| 95 | S | 92 | Very high | 92.7 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 30% | 0.301 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | E92 G97 L98 R99 | E92-S95 WeakPolarHBondContact O-CB 3.45Å; E92-S95 PolarHBondContact O-N 3.19Å; S95-G97 VanDerWaalsContact C-N 3.35Å; S95-G97 PolarHBondContact O-N 3.38Å; S95-L98 WeakPolarHBondContact O-CB 3.38Å; S95-L98 PolarHBondContact O-N 3.43Å; S95-R99 PolarHBondContact O-N 2.91Å |
| 96 | D | 92.2 | Very high | 92.5 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 175.5 | -73.8 | -25.4 | 0 | 0 | 0 | 111.7 | S55 S56 Y60 E92 V94 R99 H100 | S55-D96 WeakPolarHBondContact CA-OD2 3.35Å; S55-D96 WeakPolarHBondContact CB-OD2 3.35Å; S55-D96 PolarHBondContact OG-OD2 3.5Å; S56-D96 PolarHBondContact N-OD2 3.07Å; S56-D96 VanDerWaalsContact OG-CB 3.25Å; S56-D96 WeakPolarHBondContact OG-CB 3.38Å; Y60-D96 HydrophobicContact CE2-CB 4.42Å; E92-D96 PolarHBondContact O-N 3.23Å; V94-D96 PolarHBondContact O-N 3.37Å; D96-R99 WeakPolarHBondContact O-CB 3.5Å; D96-R99 PolarHBondContact O-N 3.26Å; D96-R99 IonicContact OD1-NH1 2.8Å; D96-H100 PolarHBondContact O-N 3.4Å; D96-H100 PolarHBondContact O-ND1 3.22Å |
| 97 | G | 91.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y60 C93 V94 S95 R99 H100 A101 | Y60-G97 WeakPolarHBondContact OH-CA 3.39Å; C93-G97 PolarHBondContact O-N 3.25Å; V94-G97 CarbonylContact O-C 3.51Å; V94-G97 WeakPolarHBondContact O-CA 3.26Å; V94-G97 PolarHBondContact O-N 3.33Å; V94-G97 VanDerWaalsContact O-N 3.11Å; S95-G97 VanDerWaalsContact C-N 3.35Å; S95-G97 PolarHBondContact O-N 3.38Å; G97-R99 VanDerWaalsContact C-N 3.26Å; G97-R99 PolarHBondContact O-N 3.49Å; G97-H100 CarbonylContact O-C 3.58Å; G97-H100 PolarHBondContact O-N 3.29Å; G97-H100 VanDerWaalsContact O-N 3.12Å; G97-A101 PolarHBondContact O-N 2.87Å |
| 98 | L | 92.3 | Very high | 92.4 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 174.9 | -64.9 | -177.4 | 0 | 0 | 0 | 112.3 | V94 S95 H100 A101 I133 H136 R137 | V94-L98 WeakPolarHBondContact O-CG 3.31Å; V94-L98 PolarHBondContact O-N 3.31Å; S95-L98 WeakPolarHBondContact O-CB 3.38Å; S95-L98 PolarHBondContact O-N 3.43Å; L98-H100 VanDerWaalsContact C-N 3.34Å; L98-A101 WeakPolarHBondContact O-CB 3.38Å; L98-I133 HydrophobicContact CD2-CB 4.25Å; L98-I133 HydrophobicContact CD2-CG2 3.67Å; L98-I133 WeakPolarHBondContact CD2-O 3.39Å; L98-H136 HydrophobicContact CD2-CB 4.17Å; L98-R137 HydrophobicContact CD2-CB 4.08Å; L98-R137 PolarHBondContact O-NH2 2.85Å |
| 99 | R | 92.4 | Very high | 92.3 | Very high | 179 Ų | 179 | 53.3 Ų | 53.3 | 68% | 0.675 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -70.3 | -30 | 176.1 | -66 | 173.8 | -179.2 | 176.4 | -1.8 | 112.5 | S95 D96 G97 | S95-R99 PolarHBondContact O-N 2.91Å; D96-R99 WeakPolarHBondContact O-CB 3.5Å; D96-R99 PolarHBondContact O-N 3.26Å; D96-R99 IonicContact OD1-NH1 2.8Å; G97-R99 VanDerWaalsContact C-N 3.26Å; G97-R99 PolarHBondContact O-N 3.49Å |
| 100 | H | 91.9 | Very high | 92.1 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 6.6 | 179.4 | -66 | 89.5 | 0 | 0 | 0 | 113.8 | Y60 D96 G97 L98 T102 R103 V104 | Y60-H100 WeakPolarHBondContact CB-NE2 3.36Å; Y60-H100 HydrophobicContact CD1-CB 4Å; Y60-H100 AromaticContact CD1-CD2 3.81Å; Y60-H100 AromaticContact CD1-CG 3.64Å; Y60-H100 AromaticContact CD1-ND1 3.96Å; Y60-H100 AromaticContact CD2-CE1 3.64Å; Y60-H100 AromaticContact CD2-ND1 3.53Å; Y60-H100 HydrophobicContact CE1-CB 3.81Å; Y60-H100 AromaticContact CE1-CG 3.92Å; Y60-H100 AromaticContact CE2-ND1 3.83Å; Y60-H100 AromaticContact CG-CD2 3.81Å; Y60-H100 AromaticContact CG-CE1 3.59Å; Y60-H100 AromaticContact CG-CG 3.75Å; Y60-H100 AromaticContact CG-ND1 3.61Å; Y60-H100 AromaticContact CG-NE2 3.74Å; D96-H100 PolarHBondContact O-N 3.4Å; D96-H100 PolarHBondContact O-ND1 3.22Å; G97-H100 CarbonylContact O-C 3.58Å; G97-H100 PolarHBondContact O-N 3.29Å; G97-H100 VanDerWaalsContact O-N 3.12Å; L98-H100 VanDerWaalsContact C-N 3.34Å; H100-T102 VanDerWaalsContact C-N 3.26Å; H100-T102 PolarHBondContact O-N 3.35Å; H100-R103 WeakPolarHBondContact O-CA 3.24Å; H100-R103 VanDerWaalsContact O-CB 3.31Å; H100-R103 WeakPolarHBondContact O-CB 3.46Å; H100-R103 PolarHBondContact O-N 3.07Å; H100-V104 PolarHBondContact O-N 2.87Å |
| 101 | A | 91.1 | Very high | 92 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.1 | -42 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G97 L98 R103 V104 S105 I133 | G97-A101 PolarHBondContact O-N 2.87Å; L98-A101 WeakPolarHBondContact O-CB 3.38Å; A101-R103 VanDerWaalsContact C-N 3.25Å; A101-R103 PolarHBondContact O-N 3.41Å; A101-V104 PolarHBondContact O-N 3.44Å; A101-V104 VanDerWaalsContact O-N 3.17Å; A101-S105 PolarHBondContact O-N 3.04Å; A101-S105 PolarHBondContact O-OG 3.28Å; A101-I133 HydrophobicContact CB-CD1 4.17Å; A101-I133 HydrophobicContact CB-CG2 3.68Å |
| 102 | T | 92.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 56% | 0.564 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.6 | -32.6 | 178 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | H100 S105 Q106 | H100-T102 VanDerWaalsContact C-N 3.26Å; H100-T102 PolarHBondContact O-N 3.35Å; T102-S105 PolarHBondContact O-N 2.83Å; T102-Q106 WeakPolarHBondContact O-CB 3.4Å; T102-Q106 VanDerWaalsContact O-CG 3.24Å; T102-Q106 WeakPolarHBondContact O-CG 3.49Å; T102-Q106 PolarHBondContact O-N 2.93Å |
| 103 | R | 92 | Very high | 91.3 | Very high | 109 Ų | 109 | 50.2 Ų | 50.2 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 175.6 | -63.9 | -63.5 | -168.3 | 162.5 | 1.7 | 111.5 | H100 A101 Q106 L107 | H100-R103 WeakPolarHBondContact O-CA 3.24Å; H100-R103 VanDerWaalsContact O-CB 3.31Å; H100-R103 WeakPolarHBondContact O-CB 3.46Å; H100-R103 PolarHBondContact O-N 3.07Å; A101-R103 VanDerWaalsContact C-N 3.25Å; A101-R103 PolarHBondContact O-N 3.41Å; R103-Q106 PolarHBondContact O-N 3.3Å; R103-L107 WeakPolarHBondContact O-CB 3.38Å; R103-L107 PolarHBondContact O-N 3.43Å |
| 104 | V | 93.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.03 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | H100 A101 L107 Q108 C126 I129 I133 | H100-V104 PolarHBondContact O-N 2.87Å; A101-V104 PolarHBondContact O-N 3.44Å; A101-V104 VanDerWaalsContact O-N 3.17Å; V104-L107 WeakPolarHBondContact O-CB 3.47Å; V104-L107 PolarHBondContact O-N 3.46Å; V104-Q108 PolarHBondContact O-N 3Å; V104-C126 HydrophobicContact CG1-CB 4Å; V104-I129 HydrophobicContact CG1-CB 4.23Å; V104-I129 HydrophobicContact CG1-CG2 4.07Å; V104-I129 HydrophobicContact CG2-CG2 4.2Å; V104-I133 HydrophobicContact CG2-CD1 4.41Å |
| 105 | S | 92.3 | Very high | 89.4 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | A101 T102 L107 Q108 S109 | A101-S105 PolarHBondContact O-N 3.04Å; A101-S105 PolarHBondContact O-OG 3.28Å; T102-S105 PolarHBondContact O-N 2.83Å; S105-L107 VanDerWaalsContact C-N 3.32Å; S105-Q108 WeakPolarHBondContact O-CB 3.39Å; S105-Q108 PolarHBondContact O-N 2.89Å; S105-S109 PolarHBondContact O-N 3.31Å |
| 106 | Q | 92.4 | Very high | 88 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 172.6 | -76 | 170.7 | -1.7 | 0 | 0 | 111.8 | T102 R103 S109 A110 | T102-Q106 WeakPolarHBondContact O-CB 3.4Å; T102-Q106 VanDerWaalsContact O-CG 3.24Å; T102-Q106 WeakPolarHBondContact O-CG 3.49Å; T102-Q106 PolarHBondContact O-N 2.93Å; R103-Q106 PolarHBondContact O-N 3.3Å; Q106-S109 PolarHBondContact O-N 3.19Å; Q106-A110 WeakPolarHBondContact O-CB 3.31Å; Q106-A110 PolarHBondContact O-N 3.16Å |
| 107 | L | 92.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 176.2 | -166.8 | 64.5 | 0 | 0 | 0 | 110.9 | I68 Y69 C75 F78 L79 R103 V104 S105 S109 A110 W111 | I68-L107 WeakPolarHBondContact O-CD1 3.43Å; Y69-L107 HydrophobicContact CD1-CD1 3.85Å; Y69-L107 HydrophobicContact CE1-CD1 3.89Å; Y69-L107 HydrophobicContact CG-CD1 4.45Å; C75-L107 VanDerWaalsContact SG-CD2 3.59Å; F78-L107 HydrophobicContact CD1-CD2 4.19Å; F78-L107 HydrophobicContact CE1-CD2 4.2Å; L79-L107 HydrophobicContact CD1-CD2 4.47Å; L79-L107 HydrophobicContact CD2-CD2 4.05Å; L79-L107 HydrophobicContact CG-CD2 4.31Å; R103-L107 WeakPolarHBondContact O-CB 3.38Å; R103-L107 PolarHBondContact O-N 3.43Å; V104-L107 WeakPolarHBondContact O-CB 3.47Å; V104-L107 PolarHBondContact O-N 3.46Å; S105-L107 VanDerWaalsContact C-N 3.32Å; L107-S109 VanDerWaalsContact C-N 3.35Å; L107-S109 PolarHBondContact O-N 3.2Å; L107-A110 PolarHBondContact O-N 3.34Å; L107-W111 VanDerWaalsContact O-CD1 3.24Å; L107-W111 PolarHBondContact O-N 2.95Å |
| 108 | Q | 93.5 | Very high | 85.8 | Confident | 44 Ų | 44 | 70 Ų | 70 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 173.9 | -167.2 | 179.7 | 2.1 | 0 | 0 | 111.7 | V104 S105 W111 S112 V123 C126 | V104-Q108 PolarHBondContact O-N 3Å; S105-Q108 WeakPolarHBondContact O-CB 3.39Å; S105-Q108 PolarHBondContact O-N 2.89Å; Q108-W111 PolarHBondContact O-N 2.8Å; Q108-S112 WeakPolarHBondContact O-CB 3.28Å; Q108-S112 PolarHBondContact O-N 3.35Å; Q108-V123 HydrophobicContact CG-CG1 3.91Å; Q108-C126 HydrophobicContact CB-CB 3.63Å; Q108-C126 HydrophobicContact CG-CB 3.92Å |
| 109 | S | 92 | Very high | 85.4 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 112 | S105 Q106 L107 W111 S112 | S105-S109 PolarHBondContact O-N 3.31Å; Q106-S109 PolarHBondContact O-N 3.19Å; L107-S109 VanDerWaalsContact C-N 3.35Å; L107-S109 PolarHBondContact O-N 3.2Å; S109-W111 PolarHBondContact O-N 3.14Å; S109-S112 PolarHBondContact O-N 3.06Å; S109-S112 PolarHBondContact O-OG 3.09Å |
| 110 | A | 88.8 | Confident | 85.3 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y69 Q106 L107 | Y69-A110 HydrophobicContact CD1-CB 4.01Å; Y69-A110 HydrophobicContact CE1-CB 4.44Å; Q106-A110 WeakPolarHBondContact O-CB 3.31Å; Q106-A110 PolarHBondContact O-N 3.16Å; L107-A110 PolarHBondContact O-N 3.34Å |
| 111 | W | 91.8 | Very high | 85.3 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -82.4 | -13.8 | -179.9 | -73.3 | 102.6 | 0 | 0 | 0 | 114 | I68 P72 C75 L107 Q108 S109 N113 H114 A115 C118 I122 V123 | I68-W111 PolarHBondContact O-NE1 3.24Å; I68-W111 VanDerWaalsContact O-NE1 3.09Å; P72-W111 HydrophobicContact CB-CH2 3.87Å; P72-W111 HydrophobicContact CB-CZ3 4.05Å; P72-W111 HydrophobicContact CG-CH2 4.43Å; C75-W111 HydrophobicContact CB-CZ2 4.1Å; C75-W111 PolarHBondContact SG-NE1 2.88Å; C75-W111 VanDerWaalsContact SG-NE1 3.38Å; L107-W111 VanDerWaalsContact O-CD1 3.24Å; L107-W111 PolarHBondContact O-N 2.95Å; Q108-W111 PolarHBondContact O-N 2.8Å; S109-W111 PolarHBondContact O-N 3.14Å; W111-N113 PolarHBondContact O-N 2.81Å; W111-H114 HydrophobicContact CE3-CB 3.99Å; W111-H114 HydrophobicContact CZ3-CB 4.38Å; W111-H114 CarbonylContact O-C 3.6Å; W111-H114 WeakPolarHBondContact O-CA 3.47Å; W111-H114 PolarHBondContact O-N 3.21Å; W111-A115 PolarHBondContact O-N 3.08Å; W111-C118 HydrophobicContact CE3-CB 4.24Å; W111-C118 HydrophobicContact CZ3-CB 3.86Å; W111-I122 HydrophobicContact CB-CB 4.41Å; W111-I122 HydrophobicContact CB-CG2 3.93Å; W111-I122 HydrophobicContact CD2-CD1 3.85Å; W111-I122 HydrophobicContact CD2-CG2 4.23Å; W111-I122 HydrophobicContact CE3-CD1 3.91Å; W111-I122 HydrophobicContact CG-CB 4.35Å; W111-I122 HydrophobicContact CG-CD1 4.4Å; W111-I122 HydrophobicContact CG-CG2 3.66Å; W111-I122 HydrophobicContact CH2-CD1 4.34Å; W111-I122 HydrophobicContact CZ2-CD1 4.25Å; W111-I122 HydrophobicContact CZ3-CD1 4.16Å; W111-V123 HydrophobicContact CB-CG2 4.18Å |
| 112 | S | 87.5 | Confident | 85.5 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.4 | -36.5 | 178.4 | 68.7 | 0 | 0 | 0 | 0 | 113 | Q108 S109 H114 | Q108-S112 WeakPolarHBondContact O-CB 3.28Å; Q108-S112 PolarHBondContact O-N 3.35Å; S109-S112 PolarHBondContact O-N 3.06Å; S109-S112 PolarHBondContact O-OG 3.09Å; S112-H114 PolarHBondContact O-N 3.43Å |
| 113 | N | 78.6 | Confident | 85.6 | Confident | 136 Ų | 136 | 57.2 Ų | 57.2 | 73% | 0.727 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -16.1 | 176.4 | -64.3 | -25.6 | 0 | 0 | 0 | 113.6 | W111 | W111-N113 PolarHBondContact O-N 2.81Š|
| 114 | H | 76 | Confident | 85.7 | Confident | 99 Ų | 99 | 54 Ų | 54 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 5.4 | -175.8 | -63.8 | -74.6 | 0 | 0 | 0 | 113.4 | W111 S112 T116 K117 C118 | W111-H114 HydrophobicContact CE3-CB 3.99Å; W111-H114 HydrophobicContact CZ3-CB 4.38Å; W111-H114 CarbonylContact O-C 3.6Å; W111-H114 WeakPolarHBondContact O-CA 3.47Å; W111-H114 PolarHBondContact O-N 3.21Å; S112-H114 PolarHBondContact O-N 3.43Å; H114-T116 VanDerWaalsContact C-N 3.27Å; H114-T116 PolarHBondContact O-N 3.4Å; H114-T116 VanDerWaalsContact O-N 3.16Å; H114-K117 PolarHBondContact O-N 3.15Å; H114-C118 PolarHBondContact O-N 3.38Å |
| 115 | A | 70.2 | Confident | 85.9 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -41.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113 | W111 V123 | W111-A115 PolarHBondContact O-N 3.08Å; A115-V123 HydrophobicContact CB-CG2 3.92Å |
| 116 | T | 62.4 | Low | 86.1 | Confident | 134 Ų | 134 | 51.3 Ų | 51.3 | 82% | 0.822 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.6 | -178.4 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | H114 | H114-T116 VanDerWaalsContact C-N 3.27Å; H114-T116 PolarHBondContact O-N 3.4Å; H114-T116 VanDerWaalsContact O-N 3.16Å |
| 117 | K | 66.1 | Low | 86.2 | Confident | 182 Ų | 182 | 50.2 Ų | 50.2 | 79% | 0.791 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -23.8 | -170.6 | -64.9 | -175.1 | -179.4 | -179.4 | 0 | 114.1 | H114 | H114-K117 PolarHBondContact O-N 3.15Š|
| 118 | C | 73 | Confident | 86.5 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -85.1 | -7.9 | -168.1 | 69.9 | 0 | 0 | 0 | 0 | 115 | P72 W111 H114 Y120 | P72-C118 HydrophobicContact CB-CB 3.95Å; P72-C118 HydrophobicContact CG-CB 4.39Å; W111-C118 HydrophobicContact CE3-CB 4.24Å; W111-C118 HydrophobicContact CZ3-CB 3.86Å; H114-C118 PolarHBondContact O-N 3.38Å; C118-Y120 PolarHBondContact O-N 3.49Å; C118-Y120 VanDerWaalsContact O-N 3.08Å; C118-Y120 PolarHBondContact SG-O 3.48Å |
| 119 | G | 82.1 | Confident | 86.6 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 69.3 | -1.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K204 | G119-K204 WeakPolarHBondContact O-CE 3.46Å; G119-K204 PolarHBondContact O-NZ 2.99Å |
| 120 | Y | 90.3 | Very high | 86.8 | Confident | 6 Ų | 6 | 46 Ų | 46 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -123.6 | 133.3 | 176.4 | -75.5 | -99.8 | 0 | 0 | 0 | 109.3 | P72 V73 W76 C118 I122 K204 | P72-Y120 HydrophobicContact CB-CD2 4.35Å; V73-Y120 HydrophobicContact CG2-CE2 3.91Å; W76-Y120 HydrophobicContact CB-CD1 3.9Å; W76-Y120 HydrophobicContact CB-CE1 4.3Å; W76-Y120 AromaticContact CD1-CD1 3.81Å; W76-Y120 AromaticContact CD1-CE1 3.75Å; W76-Y120 AromaticContact CD2-CD1 3.59Å; W76-Y120 HydrophobicContact CD2-CD1 3.59Å; W76-Y120 HydrophobicContact CD2-CE1 4.31Å; W76-Y120 AromaticContact CE2-CD1 3.95Å; W76-Y120 HydrophobicContact CE3-CD1 4.06Å; W76-Y120 AromaticContact CG-CD1 3.5Å; W76-Y120 HydrophobicContact CG-CD1 3.5Å; W76-Y120 AromaticContact CG-CE1 3.88Å; W76-Y120 HydrophobicContact CG-CE1 3.88Å; W76-Y120 HydrophobicContact CG-CG 4.48Å; C118-Y120 PolarHBondContact O-N 3.49Å; C118-Y120 VanDerWaalsContact O-N 3.08Å; C118-Y120 PolarHBondContact SG-O 3.48Å; Y120-I122 PolarHBondContact O-N 3.34Å; Y120-K204 HydrophobicContact CD1-CG 3.78Å; Y120-K204 HydrophobicContact CE1-CB 4.43Å; Y120-K204 HydrophobicContact CE1-CD 4.31Å; Y120-K204 HydrophobicContact CE1-CG 3.31Å |
| 121 | P | 92.8 | Very high | 87.1 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | trans | -78.1 | 62.8 | -178.5 | 32.1 | -34.8 | 0 | 0 | 0 | 112.2 | W76 V123 D124 F125 V184 V185 | W76-P121 HydrophobicContact CH2-CG 3.75Å; W76-P121 HydrophobicContact CZ3-CG 3.85Å; P121-V123 PolarHBondContact O-N 3.15Å; P121-D124 HydrophobicContact CB-CB 4.42Å; P121-F125 PolarHBondContact O-N 2.92Å; P121-V184 HydrophobicContact CB-CG1 3.41Å; P121-V184 VanDerWaalsContact CB-CG1 3.41Å; P121-V184 HydrophobicContact CG-CG1 4.12Å; P121-V185 HydrophobicContact CG-CG2 3.88Å | ||
| 122 | I | 94.8 | Very high | 87.3 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -38.2 | -174 | -67.1 | 168.7 | 0 | 0 | 0 | 111.4 | P72 C75 W76 L79 W111 Y120 F125 C126 | P72-I122 HydrophobicContact CB-CD1 3.68Å; C75-I122 HydrophobicContact CB-CD1 4.08Å; C75-I122 VanDerWaalsContact SG-CG2 3.54Å; W76-I122 HydrophobicContact CE3-CG1 4.29Å; L79-I122 HydrophobicContact CD1-CG2 4.04Å; W111-I122 HydrophobicContact CB-CB 4.41Å; W111-I122 HydrophobicContact CB-CG2 3.93Å; W111-I122 HydrophobicContact CD2-CD1 3.85Å; W111-I122 HydrophobicContact CD2-CG2 4.23Å; W111-I122 HydrophobicContact CE3-CD1 3.91Å; W111-I122 HydrophobicContact CG-CB 4.35Å; W111-I122 HydrophobicContact CG-CD1 4.4Å; W111-I122 HydrophobicContact CG-CG2 3.66Å; W111-I122 HydrophobicContact CH2-CD1 4.34Å; W111-I122 HydrophobicContact CZ2-CD1 4.25Å; W111-I122 HydrophobicContact CZ3-CD1 4.16Å; Y120-I122 PolarHBondContact O-N 3.34Å; I122-F125 PolarHBondContact O-N 3.24Å; I122-C126 PolarHBondContact O-N 2.83Å; I122-C126 PolarHBondContact O-SG 3.32Å |
| 123 | V | 94.7 | Very high | 87.7 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 16% | 0.158 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 110 | Q108 W111 A115 P121 F125 C126 Q127 | Q108-V123 HydrophobicContact CG-CG1 3.91Å; W111-V123 HydrophobicContact CB-CG2 4.18Å; A115-V123 HydrophobicContact CB-CG2 3.92Å; P121-V123 PolarHBondContact O-N 3.15Å; V123-F125 VanDerWaalsContact C-N 3.33Å; V123-F125 PolarHBondContact O-N 2.83Å; V123-C126 PolarHBondContact O-N 3.47Å; V123-Q127 PolarHBondContact O-N 3.49Å |
| 124 | D | 95.1 | Very high | 88.4 | Confident | 42 Ų | 42 | 41.2 Ų | 41.2 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | 176.3 | -54 | -91.8 | 0 | 0 | 0 | 111.7 | P121 Q127 L128 F181 V184 | P121-D124 HydrophobicContact CB-CB 4.42Å; D124-Q127 WeakPolarHBondContact O-CB 3.34Å; D124-Q127 PolarHBondContact O-N 2.91Å; D124-L128 PolarHBondContact O-N 2.8Å; D124-F181 HydrophobicContact CB-CD2 3.92Å; D124-F181 HydrophobicContact CB-CE2 4.41Å; D124-V184 HydrophobicContact CB-CG1 4.29Å |
| 125 | F | 97 | Very high | 89.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 176 | -159.5 | -178.3 | 0 | 0 | 0 | 111.8 | W76 L79 H83 P121 I122 V123 Q127 L128 I129 F181 P207 | W76-F125 HydrophobicContact CD2-CD1 4.15Å; W76-F125 HydrophobicContact CD2-CE1 4.46Å; W76-F125 HydrophobicContact CE3-CB 4.48Å; W76-F125 AromaticContact CE3-CD1 3.65Å; W76-F125 HydrophobicContact CE3-CD1 3.65Å; W76-F125 HydrophobicContact CE3-CE1 4.39Å; W76-F125 AromaticContact CH2-CD1 4Å; W76-F125 HydrophobicContact CH2-CD1 4Å; W76-F125 HydrophobicContact CZ2-CD1 4.48Å; W76-F125 HydrophobicContact CZ3-CB 3.88Å; W76-F125 AromaticContact CZ3-CD1 3.56Å; W76-F125 HydrophobicContact CZ3-CD1 3.56Å; W76-F125 HydrophobicContact CZ3-CE1 4.45Å; W76-F125 HydrophobicContact CZ3-CG 4.1Å; L79-F125 HydrophobicContact CB-CD1 3.44Å; L79-F125 VanDerWaalsContact CB-CD1 3.44Å; L79-F125 HydrophobicContact CB-CD2 4.49Å; L79-F125 HydrophobicContact CB-CE1 3.46Å; L79-F125 VanDerWaalsContact CB-CE1 3.46Å; L79-F125 HydrophobicContact CB-CG 4Å; L79-F125 HydrophobicContact CB-CZ 4.02Å; L79-F125 HydrophobicContact CD1-CB 3.96Å; L79-F125 HydrophobicContact CD1-CD1 3.89Å; L79-F125 HydrophobicContact CD1-CG 4.05Å; L79-F125 HydrophobicContact CG-CD1 4.31Å; H83-F125 HydrophobicContact CB-CE2 4.37Å; H83-F125 HydrophobicContact CB-CZ 4.31Å; H83-F125 AromaticContact ND1-CE2 3.76Å; P121-F125 PolarHBondContact O-N 2.92Å; I122-F125 PolarHBondContact O-N 3.24Å; V123-F125 VanDerWaalsContact C-N 3.33Å; V123-F125 PolarHBondContact O-N 2.83Å; F125-Q127 VanDerWaalsContact C-N 3.28Å; F125-Q127 PolarHBondContact O-N 2.9Å; F125-L128 HydrophobicContact CD2-CD2 4.12Å; F125-L128 HydrophobicContact CE2-CD2 4.18Å; F125-L128 PolarHBondContact O-N 3.41Å; F125-I129 HydrophobicContact CD2-CG1 4.09Å; F125-I129 HydrophobicContact CE2-CD1 4.06Å; F125-I129 HydrophobicContact CE2-CG1 4.1Å; F125-I129 WeakPolarHBondContact O-CG1 3.48Å; F125-I129 PolarHBondContact O-N 3.44Å; F125-F181 VanDerWaalsContact CA-CE2 3.44Å; F125-F181 HydrophobicContact CB-CD2 4.38Å; F125-F181 HydrophobicContact CB-CE2 3.45Å; F125-F181 VanDerWaalsContact CB-CE2 3.45Å; F125-F181 HydrophobicContact CB-CZ 3.74Å; F125-F181 HydrophobicContact CD1-CZ 4.03Å; F125-F181 HydrophobicContact CD2-CE1 4.07Å; F125-F181 HydrophobicContact CD2-CE2 4.04Å; F125-F181 AromaticContact CD2-CZ 3.59Å; F125-F181 HydrophobicContact CD2-CZ 3.59Å; F125-F181 HydrophobicContact CE2-CE1 4.31Å; F125-F181 HydrophobicContact CE2-CZ 4.16Å; F125-F181 HydrophobicContact CG-CE1 4.43Å; F125-F181 AromaticContact CG-CE2 3.81Å; F125-F181 HydrophobicContact CG-CE2 3.81Å; F125-F181 AromaticContact CG-CZ 3.53Å; F125-F181 HydrophobicContact CG-CZ 3.53Å; F125-P207 HydrophobicContact CD1-CG 4.38Å; F125-P207 HydrophobicContact CE1-CB 3.9Å; F125-P207 HydrophobicContact CE1-CG 3.55Å; F125-P207 HydrophobicContact CE2-CB 4.24Å; F125-P207 HydrophobicContact CZ-CB 3.61Å; F125-P207 HydrophobicContact CZ-CG 3.78Å |
| 126 | C | 96.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | 173 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | V104 Q108 I122 V123 I129 T130 | V104-C126 HydrophobicContact CG1-CB 4Å; Q108-C126 HydrophobicContact CB-CB 3.63Å; Q108-C126 HydrophobicContact CG-CB 3.92Å; I122-C126 PolarHBondContact O-N 2.83Å; I122-C126 PolarHBondContact O-SG 3.32Å; V123-C126 PolarHBondContact O-N 3.47Å; C126-I129 PolarHBondContact O-N 2.99Å; C126-T130 VanDerWaalsContact O-CB 3.28Å; C126-T130 WeakPolarHBondContact O-CB 3.43Å; C126-T130 PolarHBondContact O-N 3.37Å; C126-T130 PolarHBondContact O-OG1 3.06Å |
| 127 | Q | 95.7 | Very high | 92 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 175.6 | -171.7 | 174.5 | -42.6 | 0 | 0 | 111.5 | V123 D124 F125 I129 T130 R131 E177 | V123-Q127 PolarHBondContact O-N 3.49Å; D124-Q127 WeakPolarHBondContact O-CB 3.34Å; D124-Q127 PolarHBondContact O-N 2.91Å; F125-Q127 VanDerWaalsContact C-N 3.28Å; F125-Q127 PolarHBondContact O-N 2.9Å; Q127-I129 PolarHBondContact O-N 2.91Å; Q127-T130 PolarHBondContact O-N 2.92Å; Q127-R131 WeakPolarHBondContact O-CB 3.47Å; Q127-R131 PolarHBondContact O-N 2.9Å; Q127-E177 VanDerWaalsContact CD-OE1 3.23Å; Q127-E177 VanDerWaalsContact CG-OE1 3.25Å; Q127-E177 WeakPolarHBondContact CG-OE1 3.35Å; Q127-E177 PolarHBondContact NE2-OE1 3.09Å |
| 128 | L | 97.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.5 | -49.8 | 174.8 | -179.1 | 73.2 | 0 | 0 | 0 | 111.7 | D124 F125 T130 R131 K132 M174 E177 F181 | D124-L128 PolarHBondContact O-N 2.8Å; F125-L128 HydrophobicContact CD2-CD2 4.12Å; F125-L128 HydrophobicContact CE2-CD2 4.18Å; F125-L128 PolarHBondContact O-N 3.41Å; L128-T130 VanDerWaalsContact C-N 3.35Å; L128-T130 PolarHBondContact O-N 3.46Å; L128-R131 PolarHBondContact O-N 2.93Å; L128-K132 WeakPolarHBondContact O-CB 3.36Å; L128-K132 PolarHBondContact O-N 3.4Å; L128-M174 HydrophobicContact CD1-CE 3.46Å; L128-M174 VanDerWaalsContact CD1-CE 3.46Å; L128-M174 HydrophobicContact CG-CE 4.27Å; L128-E177 HydrophobicContact CD1-CG 4.18Å; L128-F181 HydrophobicContact CB-CB 4.49Å; L128-F181 HydrophobicContact CB-CG 4.44Å; L128-F181 HydrophobicContact CD1-CB 4.36Å; L128-F181 HydrophobicContact CD2-CB 4.29Å; L128-F181 HydrophobicContact CD2-CD1 3.59Å; L128-F181 HydrophobicContact CD2-CE1 4.02Å; L128-F181 HydrophobicContact CD2-CG 3.93Å |
| 129 | I | 97 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 179.2 | -63.5 | -62.3 | 0 | 0 | 0 | 111.1 | I82 H83 V104 F125 C126 Q127 R131 K132 I133 | I82-I129 HydrophobicContact CG2-CD1 4.48Å; I82-I129 HydrophobicContact CG2-CG2 4.03Å; H83-I129 HydrophobicContact CB-CD1 3.79Å; V104-I129 HydrophobicContact CG1-CB 4.23Å; V104-I129 HydrophobicContact CG1-CG2 4.07Å; V104-I129 HydrophobicContact CG2-CG2 4.2Å; F125-I129 HydrophobicContact CD2-CG1 4.09Å; F125-I129 HydrophobicContact CE2-CD1 4.06Å; F125-I129 HydrophobicContact CE2-CG1 4.1Å; F125-I129 WeakPolarHBondContact O-CG1 3.48Å; F125-I129 PolarHBondContact O-N 3.44Å; C126-I129 PolarHBondContact O-N 2.99Å; Q127-I129 PolarHBondContact O-N 2.91Å; I129-R131 VanDerWaalsContact C-N 3.34Å; I129-R131 PolarHBondContact O-N 3.33Å; I129-K132 PolarHBondContact O-N 3.22Å; I129-I133 HydrophobicContact CG2-CD1 3.86Å; I129-I133 HydrophobicContact CG2-CG1 4.38Å; I129-I133 WeakPolarHBondContact O-CB 3.28Å; I129-I133 VanDerWaalsContact O-CG1 3.28Å; I129-I133 WeakPolarHBondContact O-CG1 3.5Å; I129-I133 PolarHBondContact O-N 2.95Å |
| 130 | T | 95.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | C126 Q127 L128 I133 S134 | C126-T130 VanDerWaalsContact O-CB 3.28Å; C126-T130 WeakPolarHBondContact O-CB 3.43Å; C126-T130 PolarHBondContact O-N 3.37Å; C126-T130 PolarHBondContact O-OG1 3.06Å; Q127-T130 PolarHBondContact O-N 2.92Å; L128-T130 VanDerWaalsContact C-N 3.35Å; L128-T130 PolarHBondContact O-N 3.46Å; T130-I133 PolarHBondContact O-N 3.27Å; T130-S134 WeakPolarHBondContact O-CB 3.3Å; T130-S134 PolarHBondContact O-N 3.36Å; T130-S134 PolarHBondContact O-OG 2.61Å |
| 131 | R | 95.2 | Very high | 93.8 | Very high | 92 Ų | 92 | 39 Ų | 39 | 35% | 0.347 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 174.9 | -164 | 59.4 | 156.4 | 146.8 | -10.3 | 111.2 | Q127 L128 I129 I133 S134 L135 D173 M174 E177 | Q127-R131 WeakPolarHBondContact O-CB 3.47Å; Q127-R131 PolarHBondContact O-N 2.9Å; L128-R131 PolarHBondContact O-N 2.93Å; I129-R131 VanDerWaalsContact C-N 3.34Å; I129-R131 PolarHBondContact O-N 3.33Å; R131-I133 PolarHBondContact O-N 2.87Å; R131-S134 WeakPolarHBondContact O-CB 3.39Å; R131-S134 PolarHBondContact O-N 2.85Å; R131-S134 VanDerWaalsContact O-N 3.16Å; R131-L135 PolarHBondContact O-N 2.9Å; R131-D173 IonicContact CZ-OD2 2.82Å; R131-D173 VanDerWaalsContact NH2-CG 3.26Å; R131-D173 IonicContact NH2-OD2 3.99Å; R131-D173 PolarHBondContact NH2-OD2 2.85Å; R131-M174 HydrophobicContact CB-SD 3.97Å; R131-M174 HydrophobicContact CG-SD 3.74Å; R131-E177 HydrophobicContact CB-CG 4.15Å; R131-E177 HydrophobicContact CG-CB 4.28Å; R131-E177 HydrophobicContact CG-CG 4.21Å |
| 132 | K | 95.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.1 | -172.4 | 166.7 | -174.3 | 167.4 | 0 | 112.2 | F86 L128 I129 S134 L135 H136 G144 M174 D214 | F86-K132 HydrophobicContact CD1-CG 4.48Å; L128-K132 WeakPolarHBondContact O-CB 3.36Å; L128-K132 PolarHBondContact O-N 3.4Å; I129-K132 PolarHBondContact O-N 3.22Å; K132-S134 VanDerWaalsContact C-N 3.32Å; K132-S134 PolarHBondContact O-N 3.48Å; K132-L135 WeakPolarHBondContact O-CB 3.4Å; K132-L135 PolarHBondContact O-N 2.86Å; K132-H136 PolarHBondContact O-CD2 3.17Å; K132-H136 VanDerWaalsContact O-CD2 3.27Å; K132-H136 PolarHBondContact O-N 3.29Å; K132-H136 VanDerWaalsContact O-N 3.1Å; K132-G144 PolarHBondContact NZ-O 3.24Å; K132-M174 HydrophobicContact CB-CE 4.1Å; K132-M174 HydrophobicContact CB-SD 4.17Å; K132-D214 IonicContact NZ-OD1 2.9Å; K132-D214 PolarHBondContact NZ-OD1 2.73Å; K132-D214 IonicContact NZ-OD2 2.61Å; K132-D214 PolarHBondContact NZ-OD2 3.49Å |
| 133 | I | 94.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 173.4 | -77.4 | 171.8 | 0 | 0 | 0 | 111 | F86 L98 A101 V104 I129 T130 R131 L135 H136 R137 | F86-I133 HydrophobicContact CE1-CG1 4.19Å; F86-I133 HydrophobicContact CE2-CG1 4.45Å; F86-I133 HydrophobicContact CZ-CD1 4.36Å; F86-I133 HydrophobicContact CZ-CG1 3.64Å; L98-I133 HydrophobicContact CD2-CB 4.25Å; L98-I133 HydrophobicContact CD2-CG2 3.67Å; L98-I133 WeakPolarHBondContact CD2-O 3.39Å; A101-I133 HydrophobicContact CB-CD1 4.17Å; A101-I133 HydrophobicContact CB-CG2 3.68Å; V104-I133 HydrophobicContact CG2-CD1 4.41Å; I129-I133 HydrophobicContact CG2-CD1 3.86Å; I129-I133 HydrophobicContact CG2-CG1 4.38Å; I129-I133 WeakPolarHBondContact O-CB 3.28Å; I129-I133 VanDerWaalsContact O-CG1 3.28Å; I129-I133 WeakPolarHBondContact O-CG1 3.5Å; I129-I133 PolarHBondContact O-N 2.95Å; T130-I133 PolarHBondContact O-N 3.27Å; R131-I133 PolarHBondContact O-N 2.87Å; I133-L135 VanDerWaalsContact C-N 3.33Å; I133-L135 PolarHBondContact O-N 3.48Å; I133-H136 PolarHBondContact O-N 3.2Å; I133-R137 WeakPolarHBondContact O-CB 3.39Å; I133-R137 PolarHBondContact O-N 3.31Å |
| 134 | S | 93.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.2 | -39.5 | -179.4 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | T130 R131 K132 R137 K138 | T130-S134 WeakPolarHBondContact O-CB 3.3Å; T130-S134 PolarHBondContact O-N 3.36Å; T130-S134 PolarHBondContact O-OG 2.61Å; R131-S134 WeakPolarHBondContact O-CB 3.39Å; R131-S134 PolarHBondContact O-N 2.85Å; R131-S134 VanDerWaalsContact O-N 3.16Å; K132-S134 VanDerWaalsContact C-N 3.32Å; K132-S134 PolarHBondContact O-N 3.48Å; S134-R137 PolarHBondContact O-N 3.01Å; S134-K138 PolarHBondContact O-N 2.75Å; S134-K138 VanDerWaalsContact O-N 3.1Å |
| 135 | L | 95 | Very high | 93 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -51 | 174.1 | -171.5 | 74.4 | 0 | 0 | 0 | 111.2 | R131 K132 I133 R137 K138 Y139 L142 L146 D170 M174 | R131-L135 PolarHBondContact O-N 2.9Å; K132-L135 WeakPolarHBondContact O-CB 3.4Å; K132-L135 PolarHBondContact O-N 2.86Å; I133-L135 VanDerWaalsContact C-N 3.33Å; I133-L135 PolarHBondContact O-N 3.48Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.23Å; L135-K138 PolarHBondContact O-N 3.5Å; L135-Y139 HydrophobicContact CD1-CD2 3.77Å; L135-Y139 HydrophobicContact CD1-CE2 3.95Å; L135-Y139 HydrophobicContact CG-CD2 4.29Å; L135-Y139 WeakPolarHBondContact O-CD2 3.44Å; L135-Y139 PolarHBondContact O-N 3.1Å; L135-L142 HydrophobicContact CD2-CD1 3.98Å; L135-L142 HydrophobicContact CG-CD1 3.98Å; L135-L146 HydrophobicContact CD2-CD2 4.13Å; L135-D170 HydrophobicContact CD1-CB 3.93Å; L135-M174 HydrophobicContact CD2-CB 4.36Å; L135-M174 HydrophobicContact CD2-CG 4.17Å |
| 136 | H | 95.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.9 | -31.7 | 178.3 | -77.4 | -67.1 | 0 | 0 | 0 | 113.6 | F86 V94 L98 K132 I133 K138 Y139 G140 L142 P143 | F86-H136 AromaticContact CD1-CD2 3.97Å; F86-H136 AromaticContact CE1-CD2 4Å; V94-H136 HydrophobicContact CG1-CB 3.81Å; L98-H136 HydrophobicContact CD2-CB 4.17Å; K132-H136 PolarHBondContact O-CD2 3.17Å; K132-H136 VanDerWaalsContact O-CD2 3.27Å; K132-H136 PolarHBondContact O-N 3.29Å; K132-H136 VanDerWaalsContact O-N 3.1Å; I133-H136 PolarHBondContact O-N 3.2Å; H136-K138 VanDerWaalsContact C-N 3.33Å; H136-Y139 CarbonylContact O-C 3.34Å; H136-G140 WeakPolarHBondContact O-CA 3.19Å; H136-G140 PolarHBondContact O-N 2.73Å; H136-L142 PolarHBondContact CE1-O 2.8Å; H136-L142 PolarHBondContact ND1-O 3.01Å; H136-L142 VanDerWaalsContact ND1-O 3.16Å; H136-P143 PolarHBondContact CE1-O 2.87Å; H136-P143 VanDerWaalsContact CE1-O 3.29Å |
| 137 | R | 93.6 | Very high | 92.5 | Very high | 149 Ų | 149 | 42.7 Ų | 42.7 | 56% | 0.562 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -66 | -37.8 | 175.2 | -174.4 | 175.7 | -71.9 | 159.5 | -2 | 111.6 | L98 I133 S134 L135 | L98-R137 HydrophobicContact CD2-CB 4.08Å; L98-R137 PolarHBondContact O-NH2 2.85Å; I133-R137 WeakPolarHBondContact O-CB 3.39Å; I133-R137 PolarHBondContact O-N 3.31Å; S134-R137 PolarHBondContact O-N 3.01Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.23Å |
| 138 | K | 92.7 | Very high | 92.1 | Very high | 111 Ų | 111 | 40.5 Ų | 40.5 | 48% | 0.483 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -77.8 | -36.7 | 177.7 | -167.2 | 172.3 | 178.7 | -176.2 | 0 | 111.9 | S134 L135 H136 D170 | S134-K138 PolarHBondContact O-N 2.75Å; S134-K138 VanDerWaalsContact O-N 3.1Å; L135-K138 PolarHBondContact O-N 3.5Å; H136-K138 VanDerWaalsContact C-N 3.33Å; K138-D170 WeakPolarHBondContact CD-OD2 3.38Å; K138-D170 VanDerWaalsContact CE-OD2 3.29Å; K138-D170 WeakPolarHBondContact CE-OD2 3.4Å; K138-D170 IonicContact NZ-OD1 3.33Å; K138-D170 IonicContact NZ-OD2 3.61Å; K138-D170 PolarHBondContact NZ-OD2 3.27Å |
| 139 | Y | 91.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | trans | -123.7 | 74.9 | -176.3 | -52.9 | -73.2 | 0 | 0 | 0 | 111.5 | L135 H136 V141 L142 F167 D170 | L135-Y139 HydrophobicContact CD1-CD2 3.77Å; L135-Y139 HydrophobicContact CD1-CE2 3.95Å; L135-Y139 HydrophobicContact CG-CD2 4.29Å; L135-Y139 WeakPolarHBondContact O-CD2 3.44Å; L135-Y139 PolarHBondContact O-N 3.1Å; H136-Y139 CarbonylContact O-C 3.34Å; Y139-V141 PolarHBondContact O-N 3.07Å; Y139-L142 HydrophobicContact CG-CD1 4.5Å; Y139-L142 WeakPolarHBondContact O-CB 3.25Å; Y139-L142 PolarHBondContact O-N 3.43Å; Y139-F167 AromaticContact CD1-CD2 3.92Å; Y139-F167 HydrophobicContact CD1-CD2 3.92Å; Y139-F167 HydrophobicContact CD1-CE2 4.31Å; Y139-F167 AromaticContact CD2-CD2 3.8Å; Y139-F167 HydrophobicContact CD2-CD2 3.8Å; Y139-F167 AromaticContact CD2-CE2 3.94Å; Y139-F167 HydrophobicContact CD2-CE2 3.94Å; Y139-F167 HydrophobicContact CE1-CB 4.03Å; Y139-F167 AromaticContact CE1-CD2 3.68Å; Y139-F167 HydrophobicContact CE1-CD2 3.68Å; Y139-F167 HydrophobicContact CE1-CG 4.13Å; Y139-F167 AromaticContact CE2-CD2 3.57Å; Y139-F167 HydrophobicContact CE2-CD2 3.57Å; Y139-F167 HydrophobicContact CE2-CE2 4.16Å; Y139-F167 AromaticContact CG-CD2 3.98Å; Y139-F167 HydrophobicContact CG-CD2 3.98Å; Y139-F167 HydrophobicContact CG-CE2 4.03Å; Y139-F167 AromaticContact CZ-CD2 3.51Å; Y139-F167 WeakPolarHBondContact OH-CA 3.45Å; Y139-F167 PolarHBondContact OH-N 3.32Å; Y139-D170 HydrophobicContact CE2-CB 4.02Å; Y139-D170 VanDerWaalsContact CE2-OD2 3.23Å; Y139-D170 WeakPolarHBondContact CE2-OD2 3.25Å; Y139-D170 VanDerWaalsContact CZ-OD2 3.3Å; Y139-D170 PolarHBondContact OH-OD2 3.05Å | ||
| 140 | G | 84.5 | Confident | 90.8 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 73% | 0.732 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | H136 L142 | H136-G140 WeakPolarHBondContact O-CA 3.19Å; H136-G140 PolarHBondContact O-N 2.73Å; G140-L142 VanDerWaalsContact C-N 3.29Å |
| 141 | V | 82.1 | Confident | 90.2 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.4 | 173.6 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | Y139 P143 | Y139-V141 PolarHBondContact O-N 3.07Å; V141-P143 WeakPolarHBondContact O-CD 3.39Å |
| 142 | L | 89.7 | Confident | 89.8 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -72.9 | 123.4 | -179.4 | -70.4 | -179.7 | 0 | 0 | 0 | 111.4 | L135 H136 Y139 G140 L146 L148 F167 L221 | L135-L142 HydrophobicContact CD2-CD1 3.98Å; L135-L142 HydrophobicContact CG-CD1 3.98Å; H136-L142 PolarHBondContact CE1-O 2.8Å; H136-L142 PolarHBondContact ND1-O 3.01Å; H136-L142 VanDerWaalsContact ND1-O 3.16Å; Y139-L142 HydrophobicContact CG-CD1 4.5Å; Y139-L142 WeakPolarHBondContact O-CB 3.25Å; Y139-L142 PolarHBondContact O-N 3.43Å; G140-L142 VanDerWaalsContact C-N 3.29Å; L142-L146 HydrophobicContact CD1-CD2 4.38Å; L142-L148 HydrophobicContact CD2-CD1 4.35Å; L142-L148 HydrophobicContact CD2-CD2 4.04Å; L142-L148 HydrophobicContact CD2-CG 4.42Å; L142-F167 HydrophobicContact CD1-CE2 3.99Å; L142-F167 HydrophobicContact CD1-CZ 4.29Å; L142-F167 HydrophobicContact CD2-CZ 4.04Å; L142-L221 HydrophobicContact CD2-CD2 4.05Å |
| 143 | P | 90 | Very high | 89.4 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | trans | -67.2 | 151.9 | 170 | 29.2 | -32.1 | 0 | 0 | 0 | 109.5 | H136 V141 S145 L146 E147 L148 | H136-P143 PolarHBondContact CE1-O 2.87Å; H136-P143 VanDerWaalsContact CE1-O 3.29Å; V141-P143 WeakPolarHBondContact O-CD 3.39Å; P143-S145 PolarHBondContact O-N 3.27Å; P143-S145 VanDerWaalsContact O-N 3.12Å; P143-L146 WeakPolarHBondContact O-CA 3.47Å; P143-L146 PolarHBondContact O-N 2.88Å; P143-E147 WeakPolarHBondContact CG-O 3.18Å; P143-L148 HydrophobicContact CG-CD2 4.11Å | ||
| 144 | G | 89.6 | Confident | 89 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F86 K132 L146 | F86-G144 CarbonylContact O-C 3.44Å; F86-G144 VanDerWaalsContact O-C 3.3Å; F86-G144 WeakPolarHBondContact O-CA 3.46Å; K132-G144 PolarHBondContact NZ-O 3.24Å; G144-L146 VanDerWaalsContact C-N 3.29Å |
| 145 | S | 90.4 | Very high | 88.7 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11.6 | 168.4 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | R87 P143 E147 | R87-S145 PolarHBondContact NH1-O 3.13Å; P143-S145 PolarHBondContact O-N 3.27Å; P143-S145 VanDerWaalsContact O-N 3.12Å; S145-E147 PolarHBondContact O-N 2.96Å; S145-E147 VanDerWaalsContact O-N 3.13Å; S145-E147 PolarHBondContact OG-N 3.34Å |
| 146 | L | 92.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | trans | 63.2 | 5.9 | -174.3 | -52.1 | 171.2 | 0 | 0 | 0 | 114.3 | L135 L142 P143 G144 D214 A217 L218 | L135-L146 HydrophobicContact CD2-CD2 4.13Å; L142-L146 HydrophobicContact CD1-CD2 4.38Å; P143-L146 WeakPolarHBondContact O-CA 3.47Å; P143-L146 PolarHBondContact O-N 2.88Å; G144-L146 VanDerWaalsContact C-N 3.29Å; L146-D214 HydrophobicContact CD1-CB 4.33Å; L146-A217 HydrophobicContact CB-CB 3.98Å; L146-L218 HydrophobicContact CD1-CD1 4.28Å; L146-L218 HydrophobicContact CD1-CD2 3.96Å; L146-L218 HydrophobicContact CD1-CG 3.92Å | ||
| 147 | E | 89.5 | Confident | 88 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 35% | 0.346 | 35% | 0.35 | S | S | . | . | trans | -95.6 | 113.4 | 178.1 | -69.3 | 172.7 | -163.3 | 0 | 0 | 110 | R87 P143 S145 A217 | R87-E147 IonicContact CZ-OE1 3.47Å; R87-E147 IonicContact NH2-OE1 3.76Å; R87-E147 PolarHBondContact NH2-OE1 2.92Å; P143-E147 WeakPolarHBondContact CG-O 3.18Å; S145-E147 PolarHBondContact O-N 2.96Å; S145-E147 VanDerWaalsContact O-N 3.13Å; S145-E147 PolarHBondContact OG-N 3.34Å; E147-A217 HydrophobicContact CG-CB 3.92Å | ||
| 148 | L | 87.7 | Confident | 87.7 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | trans | -86.3 | 137.2 | 178.8 | -63.4 | 176.2 | 0 | 0 | 0 | 111.2 | L142 P143 E152 L153 C156 L221 | L142-L148 HydrophobicContact CD2-CD1 4.35Å; L142-L148 HydrophobicContact CD2-CD2 4.04Å; L142-L148 HydrophobicContact CD2-CG 4.42Å; P143-L148 HydrophobicContact CG-CD2 4.11Å; L148-E152 HydrophobicContact CB-CB 4.19Å; L148-E152 HydrophobicContact CD2-CB 3.95Å; L148-L153 HydrophobicContact CB-CB 4.07Å; L148-L153 HydrophobicContact CD1-CB 4.44Å; L148-L153 HydrophobicContact CD1-CD1 4.12Å; L148-C156 HydrophobicContact CD1-CB 4.1Å; L148-L221 HydrophobicContact CD1-CD1 3.64Å; L148-L221 HydrophobicContact CD1-CD2 4.23Å | ||
| 149 | T | 85.3 | Confident | 87.4 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | trans | -63 | 155 | 163.9 | 60.9 | 0 | 0 | 0 | 0 | 110.1 | S151 E152 L153 | T149-S151 PolarHBondContact O-N 2.89Å; T149-S151 VanDerWaalsContact O-N 3.07Å; T149-S151 PolarHBondContact OG1-OG 3.14Å; T149-E152 WeakPolarHBondContact CB-OE2 3.31Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.31Å; T149-E152 PolarHBondContact N-OE2 3.3Å; T149-E152 PolarHBondContact O-N 2.8Å; T149-E152 WeakPolarHBondContact OG1-CB 3.31Å; T149-E152 WeakPolarHBondContact OG1-CG 3.41Å; T149-E152 PolarHBondContact OG1-N 3.17Å; T149-E152 PolarHBondContact OG1-OE2 3Å; T149-L153 WeakPolarHBondContact O-CB 3.3Å; T149-L153 PolarHBondContact O-N 2.86Å | ||
| 150 | P | 82.7 | Confident | 87.2 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -54.3 | -32.1 | 178.4 | -27.7 | 35.5 | 0 | 0 | 0 | 113.9 | K154 | P150-K154 WeakPolarHBondContact O-CB 3.48Å; P150-K154 PolarHBondContact O-N 2.85Å; P150-K154 VanDerWaalsContact O-N 3.09Å |
| 151 | S | 83.2 | Confident | 87.3 | Confident | 88 Ų | 88 | 59.3 Ų | 59.3 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.5 | -46.5 | 173.9 | 38.4 | 0 | 0 | 0 | 0 | 113.1 | T149 K154 S155 | T149-S151 PolarHBondContact O-N 2.89Å; T149-S151 VanDerWaalsContact O-N 3.07Å; T149-S151 PolarHBondContact OG1-OG 3.14Å; S151-K154 PolarHBondContact O-N 3.36Å; S151-S155 PolarHBondContact O-N 3.43Å |
| 152 | E | 86.8 | Confident | 87.6 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 178.9 | -69.1 | 159.8 | 156.8 | 0 | 0 | 110.9 | L148 T149 S155 C156 | L148-E152 HydrophobicContact CB-CB 4.19Å; L148-E152 HydrophobicContact CD2-CB 3.95Å; T149-E152 WeakPolarHBondContact CB-OE2 3.31Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.31Å; T149-E152 PolarHBondContact N-OE2 3.3Å; T149-E152 PolarHBondContact O-N 2.8Å; T149-E152 WeakPolarHBondContact OG1-CB 3.31Å; T149-E152 WeakPolarHBondContact OG1-CG 3.41Å; T149-E152 PolarHBondContact OG1-N 3.17Å; T149-E152 PolarHBondContact OG1-OE2 3Å; E152-S155 WeakPolarHBondContact O-CB 3.48Å; E152-S155 PolarHBondContact O-N 2.81Å; E152-C156 WeakPolarHBondContact O-CB 3.1Å; E152-C156 PolarHBondContact O-N 3.06Å |
| 153 | L | 87.1 | Confident | 87.7 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 174.5 | -179.5 | 63.4 | 0 | 0 | 0 | 110.9 | L148 T149 S155 C156 L157 L221 Q224 | L148-L153 HydrophobicContact CB-CB 4.07Å; L148-L153 HydrophobicContact CD1-CB 4.44Å; L148-L153 HydrophobicContact CD1-CD1 4.12Å; T149-L153 WeakPolarHBondContact O-CB 3.3Å; T149-L153 PolarHBondContact O-N 2.86Å; L153-S155 VanDerWaalsContact C-N 3.28Å; L153-S155 PolarHBondContact O-N 2.6Å; L153-C156 WeakPolarHBondContact O-CB 3.41Å; L153-C156 PolarHBondContact O-N 3.37Å; L153-C156 VanDerWaalsContact O-N 3.14Å; L153-L157 HydrophobicContact CD1-CD1 4.04Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CG-CD1 3.96Å; L153-L157 HydrophobicContact CG-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.18Å; L153-L157 PolarHBondContact O-N 3.21Å; L153-L221 HydrophobicContact CD1-CD1 3.76Å; L153-Q224 HydrophobicContact CD1-CB 4.19Å; L153-Q224 HydrophobicContact CD1-CG 4.41Å; L153-Q224 HydrophobicContact CD2-CG 4.18Å |
| 154 | K | 86.1 | Confident | 87.8 | Confident | 165 Ų | 165 | 63.7 Ų | 63.7 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.5 | -40.2 | 176.5 | -172.5 | 176.6 | -179.5 | 178.9 | 0 | 111.9 | P150 S151 S158 | P150-K154 WeakPolarHBondContact O-CB 3.48Å; P150-K154 PolarHBondContact O-N 2.85Å; P150-K154 VanDerWaalsContact O-N 3.09Å; S151-K154 PolarHBondContact O-N 3.36Å; K154-S158 PolarHBondContact O-N 3.16Å |
| 155 | S | 87.8 | Confident | 87.9 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.4 | -171 | 0 | 0 | 0 | 0 | 111.7 | S151 E152 L153 S158 | S151-S155 PolarHBondContact O-N 3.43Å; E152-S155 WeakPolarHBondContact O-CB 3.48Å; E152-S155 PolarHBondContact O-N 2.81Å; L153-S155 VanDerWaalsContact C-N 3.28Å; L153-S155 PolarHBondContact O-N 2.6Å; S155-S158 PolarHBondContact O-N 3.11Å; S155-S158 PolarHBondContact O-OG 2.88Å |
| 156 | C | 87.8 | Confident | 88.1 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | L148 E152 L153 S158 A159 L164 F167 | L148-C156 HydrophobicContact CD1-CB 4.1Å; E152-C156 WeakPolarHBondContact O-CB 3.1Å; E152-C156 PolarHBondContact O-N 3.06Å; L153-C156 WeakPolarHBondContact O-CB 3.41Å; L153-C156 PolarHBondContact O-N 3.37Å; L153-C156 VanDerWaalsContact O-N 3.14Å; C156-S158 PolarHBondContact O-N 3.29Å; C156-A159 VanDerWaalsContact O-CB 3.32Å; C156-A159 WeakPolarHBondContact O-CB 3.16Å; C156-A159 PolarHBondContact O-N 3.4Å; C156-A159 VanDerWaalsContact O-N 3.16Å; C156-L164 WeakPolarHBondContact O-CD2 3.48Å; C156-F167 WeakPolarHBondContact SG-CE1 3.42Å |
| 157 | L | 87.6 | Confident | 88.2 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.4 | -11.7 | 179.3 | -63.7 | 178 | 0 | 0 | 0 | 114.2 | L153 A159 V225 K228 | L153-L157 HydrophobicContact CD1-CD1 4.04Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CG-CD1 3.96Å; L153-L157 HydrophobicContact CG-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.18Å; L153-L157 PolarHBondContact O-N 3.21Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-V225 HydrophobicContact CD2-CG2 4.05Å; L157-K228 HydrophobicContact CB-CG 4.34Å; L157-K228 HydrophobicContact CD2-CB 3.95Å; L157-K228 HydrophobicContact CD2-CG 4.28Å |
| 158 | S | 86.2 | Confident | 88.4 | Confident | 92 Ų | 92 | 65.8 Ų | 65.8 | 64% | 0.643 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -2.2 | 173.7 | 71 | 0 | 0 | 0 | 0 | 114.2 | K154 S155 C156 | K154-S158 PolarHBondContact O-N 3.16Å; S155-S158 PolarHBondContact O-N 3.11Å; S155-S158 PolarHBondContact O-OG 2.88Å; C156-S158 PolarHBondContact O-N 3.29Å |
| 159 | A | 87 | Confident | 88.7 | Confident | 43 Ų | 43 | 66 Ų | 66 | 36% | 0.355 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -64.1 | 161.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C156 L157 H163 L164 | C156-A159 VanDerWaalsContact O-CB 3.32Å; C156-A159 WeakPolarHBondContact O-CB 3.16Å; C156-A159 PolarHBondContact O-N 3.4Å; C156-A159 VanDerWaalsContact O-N 3.16Å; L157-A159 VanDerWaalsContact C-N 3.34Å; A159-H163 HydrophobicContact CB-CB 4.45Å; A159-L164 HydrophobicContact CB-CD2 4.19Å; A159-L164 HydrophobicContact CB-CG 4.13Å; A159-L164 WeakPolarHBondContact O-CD1 3.48Å |
| 160 | Q | 87.2 | Confident | 89.3 | Confident | 130 Ų | 130 | 63.8 Ų | 63.8 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | trans | -59 | 150.5 | 175.6 | -70.6 | 177.3 | -23.6 | 0 | 0 | 111.5 | D162 H163 L164 | Q160-D162 VanDerWaalsContact C-N 3.31Å; Q160-D162 PolarHBondContact O-N 2.68Å; Q160-H163 WeakPolarHBondContact O-CB 3.47Å; Q160-H163 PolarHBondContact O-N 2.9Å; Q160-H163 VanDerWaalsContact O-N 3.08Å; Q160-H163 PolarHBondContact OE1-CE1 3.38Å; Q160-L164 PolarHBondContact O-N 3.45Å | ||
| 161 | V | 88.2 | Confident | 89.9 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.1 | -44.5 | -174.2 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | H163 L164 F165 L229 L232 L233 | V161-H163 VanDerWaalsContact C-N 3.33Å; V161-H163 PolarHBondContact O-N 3.49Å; V161-L164 PolarHBondContact O-N 3.24Å; V161-F165 WeakPolarHBondContact O-CB 3.2Å; V161-F165 PolarHBondContact O-N 3.12Å; V161-L229 HydrophobicContact CG1-CD2 4.27Å; V161-L232 HydrophobicContact CG1-CB 4.16Å; V161-L232 HydrophobicContact CG2-CB 4.3Å; V161-L232 HydrophobicContact CG2-CD1 4.17Å; V161-L233 HydrophobicContact CG1-CD1 3.76Å; V161-L233 HydrophobicContact CG1-CD2 3.44Å; V161-L233 VanDerWaalsContact CG1-CD2 3.44Å; V161-L233 HydrophobicContact CG1-CG 3.46Å; V161-L233 VanDerWaalsContact CG1-CG 3.46Å |
| 162 | D | 88.2 | Confident | 90.6 | Very high | 126 Ų | 126 | 54.5 Ų | 54.5 | 67% | 0.674 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 179.7 | -58.6 | -29.7 | 0 | 0 | 0 | 112.2 | Q160 F165 Q166 | Q160-D162 VanDerWaalsContact C-N 3.31Å; Q160-D162 PolarHBondContact O-N 2.68Å; D162-F165 PolarHBondContact O-N 3.28Å; D162-Q166 PolarHBondContact O-N 3.02Å |
| 163 | H | 91.1 | Very high | 91 | Very high | 114 Ų | 114 | 52.7 Ų | 52.7 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 175.8 | -63.9 | 150.3 | 0 | 0 | 0 | 111.6 | A159 Q160 V161 F165 F167 | A159-H163 HydrophobicContact CB-CB 4.45Å; Q160-H163 WeakPolarHBondContact O-CB 3.47Å; Q160-H163 PolarHBondContact O-N 2.9Å; Q160-H163 VanDerWaalsContact O-N 3.08Å; Q160-H163 PolarHBondContact OE1-CE1 3.38Å; V161-H163 VanDerWaalsContact C-N 3.33Å; V161-H163 PolarHBondContact O-N 3.49Å; H163-F165 VanDerWaalsContact C-N 3.32Å; H163-F167 WeakPolarHBondContact O-CB 3.38Å; H163-F167 PolarHBondContact O-N 2.92Å |
| 164 | L | 91.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 175.4 | -73.4 | 175.3 | 0 | 0 | 0 | 111.7 | C156 A159 Q160 V161 F167 S168 K228 L229 L232 | C156-L164 WeakPolarHBondContact O-CD2 3.48Å; A159-L164 HydrophobicContact CB-CD2 4.19Å; A159-L164 HydrophobicContact CB-CG 4.13Å; A159-L164 WeakPolarHBondContact O-CD1 3.48Å; Q160-L164 PolarHBondContact O-N 3.45Å; V161-L164 PolarHBondContact O-N 3.24Å; L164-F167 PolarHBondContact O-N 2.82Å; L164-S168 PolarHBondContact O-N 3.12Å; L164-K228 HydrophobicContact CD1-CG 4.12Å; L164-L229 HydrophobicContact CB-CD2 3.65Å; L164-L229 HydrophobicContact CB-CG 4.25Å; L164-L232 HydrophobicContact CD1-CD1 3.97Å |
| 165 | F | 92.7 | Very high | 92 | Very high | 69 Ų | 69 | 43.3 Ų | 43.3 | 30% | 0.303 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.2 | -52.1 | 178.3 | -173.7 | -86.5 | 0 | 0 | 0 | 110.6 | V161 D162 H163 F167 S168 V169 L229 L233 M238 H241 | V161-F165 WeakPolarHBondContact O-CB 3.2Å; V161-F165 PolarHBondContact O-N 3.12Å; D162-F165 PolarHBondContact O-N 3.28Å; H163-F165 VanDerWaalsContact C-N 3.32Å; F165-F167 VanDerWaalsContact C-N 3.28Å; F165-F167 PolarHBondContact O-N 3.29Å; F165-S168 WeakPolarHBondContact O-CB 3.42Å; F165-S168 PolarHBondContact O-N 2.82Å; F165-V169 PolarHBondContact O-N 3.01Å; F165-L229 HydrophobicContact CB-CD2 4.21Å; F165-L233 HydrophobicContact CD2-CD1 3.74Å; F165-L233 HydrophobicContact CE2-CD1 4.39Å; F165-M238 HydrophobicContact CD2-SD 4.27Å; F165-M238 HydrophobicContact CE2-SD 4.23Å; F165-H241 AromaticContact CD2-CE1 3.93Å; F165-H241 AromaticContact CE1-CE1 3.87Å; F165-H241 AromaticContact CE2-CE1 3.29Å; F165-H241 WeakPolarHBondContact CE2-CE1 3.46Å; F165-H241 AromaticContact CE2-ND1 3.92Å; F165-H241 AromaticContact CE2-NE2 4Å; F165-H241 AromaticContact CZ-CE1 3.28Å; F165-H241 WeakPolarHBondContact CZ-CE1 3.27Å |
| 166 | Q | 93.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 43 Ų | 43 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.1 | -36.3 | 176.3 | -175.3 | 60.8 | 54.4 | 0 | 0 | 112.1 | D162 V169 D170 | D162-Q166 PolarHBondContact O-N 3.02Å; Q166-V169 PolarHBondContact O-N 3.34Å; Q166-D170 PolarHBondContact NE2-OD1 3.33Å; Q166-D170 PolarHBondContact O-N 3.47Å |
| 167 | F | 94.5 | Very high | 92.9 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 176.6 | -178.5 | -132.3 | 0 | 0 | 0 | 111.8 | Y139 L142 C156 H163 L164 F165 V169 D170 L171 L221 V225 | Y139-F167 AromaticContact CD1-CD2 3.92Å; Y139-F167 HydrophobicContact CD1-CD2 3.92Å; Y139-F167 HydrophobicContact CD1-CE2 4.31Å; Y139-F167 AromaticContact CD2-CD2 3.8Å; Y139-F167 HydrophobicContact CD2-CD2 3.8Å; Y139-F167 AromaticContact CD2-CE2 3.94Å; Y139-F167 HydrophobicContact CD2-CE2 3.94Å; Y139-F167 HydrophobicContact CE1-CB 4.03Å; Y139-F167 AromaticContact CE1-CD2 3.68Å; Y139-F167 HydrophobicContact CE1-CD2 3.68Å; Y139-F167 HydrophobicContact CE1-CG 4.13Å; Y139-F167 AromaticContact CE2-CD2 3.57Å; Y139-F167 HydrophobicContact CE2-CD2 3.57Å; Y139-F167 HydrophobicContact CE2-CE2 4.16Å; Y139-F167 AromaticContact CG-CD2 3.98Å; Y139-F167 HydrophobicContact CG-CD2 3.98Å; Y139-F167 HydrophobicContact CG-CE2 4.03Å; Y139-F167 AromaticContact CZ-CD2 3.51Å; Y139-F167 WeakPolarHBondContact OH-CA 3.45Å; Y139-F167 PolarHBondContact OH-N 3.32Å; L142-F167 HydrophobicContact CD1-CE2 3.99Å; L142-F167 HydrophobicContact CD1-CZ 4.29Å; L142-F167 HydrophobicContact CD2-CZ 4.04Å; C156-F167 WeakPolarHBondContact SG-CE1 3.42Å; H163-F167 WeakPolarHBondContact O-CB 3.38Å; H163-F167 PolarHBondContact O-N 2.92Å; L164-F167 PolarHBondContact O-N 2.82Å; F165-F167 VanDerWaalsContact C-N 3.28Å; F165-F167 PolarHBondContact O-N 3.29Å; F167-V169 VanDerWaalsContact C-N 3.29Å; F167-V169 PolarHBondContact O-N 3.42Å; F167-D170 PolarHBondContact O-N 3.12Å; F167-L171 HydrophobicContact CD1-CD1 4.06Å; F167-L171 HydrophobicContact CD2-CD1 4.34Å; F167-L171 HydrophobicContact CD2-CD2 4.47Å; F167-L171 HydrophobicContact CD2-CG 4.04Å; F167-L171 HydrophobicContact CE1-CD1 3.68Å; F167-L171 HydrophobicContact CE1-CG 4.32Å; F167-L171 HydrophobicContact CE2-CD1 4Å; F167-L171 HydrophobicContact CE2-CD2 3.67Å; F167-L171 HydrophobicContact CE2-CG 3.69Å; F167-L171 HydrophobicContact CG-CD1 4.37Å; F167-L171 HydrophobicContact CG-CG 4.49Å; F167-L171 HydrophobicContact CZ-CD1 3.66Å; F167-L171 HydrophobicContact CZ-CD2 3.77Å; F167-L171 HydrophobicContact CZ-CG 3.85Å; F167-L171 VanDerWaalsContact O-CG 3.27Å; F167-L171 WeakPolarHBondContact O-CG 3.4Å; F167-L171 PolarHBondContact O-N 3.46Å; F167-L221 HydrophobicContact CE1-CD2 4.39Å; F167-L221 HydrophobicContact CE1-CG 4.45Å; F167-L221 HydrophobicContact CZ-CD2 3.89Å; F167-L221 HydrophobicContact CZ-CG 4.4Å; F167-V225 HydrophobicContact CD1-CG1 4.43Å; F167-V225 HydrophobicContact CD1-CG2 3.87Å; F167-V225 HydrophobicContact CE1-CG2 3.83Å |
| 168 | S | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 173.8 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | L164 F165 M172 I226 | L164-S168 PolarHBondContact O-N 3.12Å; F165-S168 WeakPolarHBondContact O-CB 3.42Å; F165-S168 PolarHBondContact O-N 2.82Å; S168-M172 WeakPolarHBondContact O-CE 3.46Å; S168-M172 WeakPolarHBondContact O-CG 3.5Å; S168-M172 PolarHBondContact O-N 2.85Å; S168-M172 VanDerWaalsContact O-N 3.13Å; S168-I226 WeakPolarHBondContact OG-CG1 3.4Å |
| 169 | V | 95.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 176.6 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | F165 Q166 F167 L171 M172 D173 | F165-V169 PolarHBondContact O-N 3.01Å; Q166-V169 PolarHBondContact O-N 3.34Å; F167-V169 VanDerWaalsContact C-N 3.29Å; F167-V169 PolarHBondContact O-N 3.42Å; V169-L171 VanDerWaalsContact C-N 3.3Å; V169-L171 PolarHBondContact O-N 2.96Å; V169-M172 PolarHBondContact O-N 3.43Å; V169-D173 PolarHBondContact O-N 2.7Å; V169-D173 VanDerWaalsContact O-OD1 3.08Å |
| 170 | D | 96.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -32.6 | -178.6 | -62.2 | -27.2 | 0 | 0 | 0 | 112.7 | L135 K138 Y139 Q166 F167 M174 | L135-D170 HydrophobicContact CD1-CB 3.93Å; K138-D170 WeakPolarHBondContact CD-OD2 3.38Å; K138-D170 VanDerWaalsContact CE-OD2 3.29Å; K138-D170 WeakPolarHBondContact CE-OD2 3.4Å; K138-D170 IonicContact NZ-OD1 3.33Å; K138-D170 IonicContact NZ-OD2 3.61Å; K138-D170 PolarHBondContact NZ-OD2 3.27Å; Y139-D170 HydrophobicContact CE2-CB 4.02Å; Y139-D170 VanDerWaalsContact CE2-OD2 3.23Å; Y139-D170 WeakPolarHBondContact CE2-OD2 3.25Å; Y139-D170 VanDerWaalsContact CZ-OD2 3.3Å; Y139-D170 PolarHBondContact OH-OD2 3.05Å; Q166-D170 PolarHBondContact NE2-OD1 3.33Å; Q166-D170 PolarHBondContact O-N 3.47Å; F167-D170 PolarHBondContact O-N 3.12Å; D170-M174 PolarHBondContact O-N 3.39Å |
| 171 | L | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.2 | -46.6 | 174 | -72.7 | 175.1 | 0 | 0 | 0 | 112 | F167 V169 D173 M174 L175 L218 L221 V225 | F167-L171 HydrophobicContact CD1-CD1 4.06Å; F167-L171 HydrophobicContact CD2-CD1 4.34Å; F167-L171 HydrophobicContact CD2-CD2 4.47Å; F167-L171 HydrophobicContact CD2-CG 4.04Å; F167-L171 HydrophobicContact CE1-CD1 3.68Å; F167-L171 HydrophobicContact CE1-CG 4.32Å; F167-L171 HydrophobicContact CE2-CD1 4Å; F167-L171 HydrophobicContact CE2-CD2 3.67Å; F167-L171 HydrophobicContact CE2-CG 3.69Å; F167-L171 HydrophobicContact CG-CD1 4.37Å; F167-L171 HydrophobicContact CG-CG 4.49Å; F167-L171 HydrophobicContact CZ-CD1 3.66Å; F167-L171 HydrophobicContact CZ-CD2 3.77Å; F167-L171 HydrophobicContact CZ-CG 3.85Å; F167-L171 VanDerWaalsContact O-CG 3.27Å; F167-L171 WeakPolarHBondContact O-CG 3.4Å; F167-L171 PolarHBondContact O-N 3.46Å; V169-L171 VanDerWaalsContact C-N 3.3Å; V169-L171 PolarHBondContact O-N 2.96Å; L171-D173 VanDerWaalsContact C-N 3.33Å; L171-M174 PolarHBondContact O-N 3.44Å; L171-L175 PolarHBondContact O-N 3.02Å; L171-L218 HydrophobicContact CD2-CD2 3.8Å; L171-L221 HydrophobicContact CD1-CB 4.37Å; L171-L221 HydrophobicContact CD1-CD2 4.14Å; L171-L221 HydrophobicContact CD1-CG 3.77Å; L171-L221 HydrophobicContact CD2-CD2 3.85Å; L171-L221 HydrophobicContact CD2-CG 4.34Å; L171-V225 HydrophobicContact CD1-CG2 4.11Å |
| 172 | M | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.4 | -72.3 | -173 | -66.2 | 0 | 0 | 111.2 | S168 V169 M174 L175 E176 I226 H241 R244 F245 L248 | S168-M172 WeakPolarHBondContact O-CE 3.46Å; S168-M172 WeakPolarHBondContact O-CG 3.5Å; S168-M172 PolarHBondContact O-N 2.85Å; S168-M172 VanDerWaalsContact O-N 3.13Å; V169-M172 PolarHBondContact O-N 3.43Å; M172-M174 VanDerWaalsContact C-N 3.33Å; M172-M174 PolarHBondContact O-N 3.31Å; M172-L175 PolarHBondContact O-N 3.01Å; M172-E176 WeakPolarHBondContact O-CG 3.17Å; M172-E176 PolarHBondContact O-N 3Å; M172-I226 HydrophobicContact SD-CD1 4.31Å; M172-H241 VanDerWaalsContact CE-CD2 3.47Å; M172-H241 WeakPolarHBondContact CE-CD2 3.34Å; M172-R244 HydrophobicContact SD-CB 4.3Å; M172-R244 HydrophobicContact SD-CG 4.08Å; M172-F245 HydrophobicContact SD-CB 4.48Å; M172-L248 HydrophobicContact CB-CD1 3.7Å; M172-L248 HydrophobicContact CG-CD1 3.68Å; M172-L248 HydrophobicContact SD-CD1 4.14Å |
| 173 | D | 96.8 | Very high | 95.3 | Very high | 31 Ų | 31 | 31 Ų | 31 | 17% | 0.166 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 173.9 | -68.9 | 0.7 | 0 | 0 | 0 | 112.1 | R131 V169 L171 E177 R244 | R131-D173 IonicContact CZ-OD2 2.82Å; R131-D173 VanDerWaalsContact NH2-CG 3.26Å; R131-D173 IonicContact NH2-OD2 3.99Å; R131-D173 PolarHBondContact NH2-OD2 2.85Å; V169-D173 PolarHBondContact O-N 2.7Å; V169-D173 VanDerWaalsContact O-OD1 3.08Å; L171-D173 VanDerWaalsContact C-N 3.33Å; D173-E177 WeakPolarHBondContact O-CB 3.41Å; D173-E177 PolarHBondContact O-N 2.86Å; D173-R244 IonicContact OD1-CZ 3.45Å; D173-R244 IonicContact OD1-NH1 3.19Å; D173-R244 PolarHBondContact OD1-NH1 2.78Å; D173-R244 IonicContact OD1-NH2 3.65Å; D173-R244 PolarHBondContact OD1-NH2 3.38Å |
| 174 | M | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.9 | -36.2 | 178.1 | -175 | 65.4 | -135.9 | 0 | 0 | 111.6 | L128 R131 K132 L135 D170 L171 M172 E177 T178 L218 | L128-M174 HydrophobicContact CD1-CE 3.46Å; L128-M174 VanDerWaalsContact CD1-CE 3.46Å; L128-M174 HydrophobicContact CG-CE 4.27Å; R131-M174 HydrophobicContact CB-SD 3.97Å; R131-M174 HydrophobicContact CG-SD 3.74Å; K132-M174 HydrophobicContact CB-CE 4.1Å; K132-M174 HydrophobicContact CB-SD 4.17Å; L135-M174 HydrophobicContact CD2-CB 4.36Å; L135-M174 HydrophobicContact CD2-CG 4.17Å; D170-M174 PolarHBondContact O-N 3.39Å; L171-M174 PolarHBondContact O-N 3.44Å; M172-M174 VanDerWaalsContact C-N 3.33Å; M172-M174 PolarHBondContact O-N 3.31Å; M174-E177 PolarHBondContact O-N 3.5Å; M174-T178 WeakPolarHBondContact O-CB 3.5Å; M174-T178 PolarHBondContact O-N 3.3Å; M174-T178 PolarHBondContact O-OG1 2.95Å; M174-L218 HydrophobicContact CB-CD1 4.15Å; M174-L218 HydrophobicContact CB-CD2 4.2Å; M174-L218 HydrophobicContact CG-CD1 3.65Å; M174-L218 HydrophobicContact CG-CD2 4.1Å |
| 175 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66 | -44.6 | 175.6 | -178.3 | 57.5 | 0 | 0 | 0 | 111.1 | L171 M172 E177 T178 L179 A215 L218 L248 V252 | L171-L175 PolarHBondContact O-N 3.02Å; M172-L175 PolarHBondContact O-N 3.01Å; L175-E177 VanDerWaalsContact C-N 3.33Å; L175-E177 PolarHBondContact O-N 3.01Å; L175-T178 WeakPolarHBondContact O-CB 3.39Å; L175-T178 PolarHBondContact O-N 3.5Å; L175-L179 HydrophobicContact CD1-CD1 4.48Å; L175-L179 HydrophobicContact CG-CD1 4.26Å; L175-L179 WeakPolarHBondContact O-CG 3.08Å; L175-L179 PolarHBondContact O-N 3.5Å; L175-A215 HydrophobicContact CD1-CB 3.89Å; L175-L218 HydrophobicContact CB-CB 4.26Å; L175-L218 HydrophobicContact CB-CD1 4.37Å; L175-L218 HydrophobicContact CD1-CB 4.2Å; L175-L248 HydrophobicContact CB-CD2 4.34Å; L175-L248 HydrophobicContact CD2-CB 4.28Å; L175-L248 HydrophobicContact CD2-CD1 4.24Å; L175-L248 HydrophobicContact CD2-CD2 3.97Å; L175-L248 HydrophobicContact CD2-CG 4.4Å; L175-L248 HydrophobicContact CG-CD2 3.88Å; L175-V252 HydrophobicContact CD1-CG2 3.96Å; L175-V252 HydrophobicContact CD2-CG2 4.05Å; L175-V252 HydrophobicContact CG-CG2 4.28Å |
| 176 | E | 97.3 | Very high | 95.4 | Very high | 65 Ų | 65 | 25.5 Ų | 25.5 | 30% | 0.304 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 173.5 | -75 | 171.5 | -169.6 | 0 | 0 | 111.8 | M172 T178 L179 R180 R244 L248 | M172-E176 WeakPolarHBondContact O-CG 3.17Å; M172-E176 PolarHBondContact O-N 3Å; E176-T178 VanDerWaalsContact C-N 3.3Å; E176-T178 PolarHBondContact O-N 3.4Å; E176-L179 PolarHBondContact O-N 3.07Å; E176-R180 VanDerWaalsContact O-CB 3.31Å; E176-R180 WeakPolarHBondContact O-CB 3.39Å; E176-R180 PolarHBondContact O-N 3.3Å; E176-R244 IonicContact OE1-CZ 3.67Å; E176-R244 VanDerWaalsContact OE1-CZ 3.24Å; E176-R244 IonicContact OE1-NE 3.24Å; E176-R244 PolarHBondContact OE1-NE 3.39Å; E176-R244 IonicContact OE1-NH2 3.78Å; E176-R244 PolarHBondContact OE1-NH2 3.09Å; E176-R244 IonicContact OE2-CZ 2.87Å; E176-R244 IonicContact OE2-NE 2.8Å; E176-R244 IonicContact OE2-NH2 2.67Å; E176-R244 PolarHBondContact OE2-NH2 3.49Å; E176-L248 HydrophobicContact CB-CD2 4.5Å; E176-L248 HydrophobicContact CG-CD1 4.43Å; E176-L248 HydrophobicContact CG-CD2 3.49Å; E176-L248 VanDerWaalsContact CG-CD2 3.49Å; E176-L248 HydrophobicContact CG-CG 4.26Å |
| 177 | E | 97.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.5 | -36.8 | 177.6 | -165.2 | 60.7 | -160.8 | 0 | 0 | 112 | Q127 L128 R131 D173 M174 L175 R180 F181 | Q127-E177 VanDerWaalsContact CD-OE1 3.23Å; Q127-E177 VanDerWaalsContact CG-OE1 3.25Å; Q127-E177 WeakPolarHBondContact CG-OE1 3.35Å; Q127-E177 PolarHBondContact NE2-OE1 3.09Å; L128-E177 HydrophobicContact CD1-CG 4.18Å; R131-E177 HydrophobicContact CB-CG 4.15Å; R131-E177 HydrophobicContact CG-CB 4.28Å; R131-E177 HydrophobicContact CG-CG 4.21Å; D173-E177 WeakPolarHBondContact O-CB 3.41Å; D173-E177 PolarHBondContact O-N 2.86Å; M174-E177 PolarHBondContact O-N 3.5Å; L175-E177 VanDerWaalsContact C-N 3.33Å; L175-E177 PolarHBondContact O-N 3.01Å; E177-R180 IonicContact OE2-NE 2.75Å; E177-R180 PolarHBondContact OE2-NE 3.37Å; E177-R180 VanDerWaalsContact OE2-NE 3.08Å; E177-F181 WeakPolarHBondContact O-CB 3.3Å; E177-F181 PolarHBondContact O-N 3.32Å |
| 178 | T | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 174.8 | -56 | 0 | 0 | 0 | 0 | 111.6 | M174 L175 E176 K182 C211 A215 | M174-T178 WeakPolarHBondContact O-CB 3.5Å; M174-T178 PolarHBondContact O-N 3.3Å; M174-T178 PolarHBondContact O-OG1 2.95Å; L175-T178 WeakPolarHBondContact O-CB 3.39Å; L175-T178 PolarHBondContact O-N 3.5Å; E176-T178 VanDerWaalsContact C-N 3.3Å; E176-T178 PolarHBondContact O-N 3.4Å; T178-K182 PolarHBondContact O-N 3.49Å; T178-K182 VanDerWaalsContact O-N 3.11Å; T178-C211 HydrophobicContact CG2-CB 3.72Å; T178-A215 HydrophobicContact CG2-CB 4.27Å |
| 179 | L | 96.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.2 | -43.3 | 177.7 | -68.2 | 168.6 | 0 | 0 | 0 | 111.8 | L175 E176 F181 K182 D183 L248 V252 F255 | L175-L179 HydrophobicContact CD1-CD1 4.48Å; L175-L179 HydrophobicContact CG-CD1 4.26Å; L175-L179 WeakPolarHBondContact O-CG 3.08Å; L175-L179 PolarHBondContact O-N 3.5Å; E176-L179 PolarHBondContact O-N 3.07Å; L179-F181 PolarHBondContact O-N 3.23Å; L179-K182 WeakPolarHBondContact O-CB 3.49Å; L179-K182 PolarHBondContact O-N 3.43Å; L179-D183 PolarHBondContact O-N 3.12Å; L179-L248 HydrophobicContact CD1-CD2 3.76Å; L179-V252 HydrophobicContact CD1-CG2 3.97Å; L179-V252 HydrophobicContact CD2-CG2 4.19Å; L179-F255 HydrophobicContact CD2-CB 4.05Å; L179-F255 HydrophobicContact CD2-CD1 3.82Å; L179-F255 HydrophobicContact CD2-CG 4.23Å |
| 180 | R | 96.2 | Very high | 93.2 | Very high | 126 Ų | 126 | 34.1 Ų | 34.1 | 48% | 0.475 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -55.3 | -50.8 | 173.9 | -178 | -158.5 | -58.5 | -76.7 | -6.3 | 110.7 | E176 E177 K182 D183 V184 | E176-R180 VanDerWaalsContact O-CB 3.31Å; E176-R180 WeakPolarHBondContact O-CB 3.39Å; E176-R180 PolarHBondContact O-N 3.3Å; E177-R180 IonicContact OE2-NE 2.75Å; E177-R180 PolarHBondContact OE2-NE 3.37Å; E177-R180 VanDerWaalsContact OE2-NE 3.08Å; R180-K182 VanDerWaalsContact C-N 3.29Å; R180-K182 PolarHBondContact O-N 2.87Å; R180-D183 PolarHBondContact O-N 3.34Å; R180-D183 VanDerWaalsContact O-N 3.11Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 2.87Å |
| 181 | F | 97.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 179.1 | 176.6 | -108.6 | 0 | 0 | 0 | 111.9 | W76 D124 F125 L128 E177 L179 D183 V184 V185 P207 L208 | W76-F181 AromaticContact CH2-CE2 3.99Å; W76-F181 HydrophobicContact CH2-CE2 3.99Å; W76-F181 AromaticContact CH2-CZ 3.56Å; W76-F181 HydrophobicContact CH2-CZ 3.56Å; W76-F181 HydrophobicContact CZ2-CZ 4.39Å; W76-F181 HydrophobicContact CZ3-CE2 4.29Å; W76-F181 HydrophobicContact CZ3-CZ 4.15Å; D124-F181 HydrophobicContact CB-CD2 3.92Å; D124-F181 HydrophobicContact CB-CE2 4.41Å; F125-F181 VanDerWaalsContact CA-CE2 3.44Å; F125-F181 HydrophobicContact CB-CD2 4.38Å; F125-F181 HydrophobicContact CB-CE2 3.45Å; F125-F181 VanDerWaalsContact CB-CE2 3.45Å; F125-F181 HydrophobicContact CB-CZ 3.74Å; F125-F181 HydrophobicContact CD1-CZ 4.03Å; F125-F181 HydrophobicContact CD2-CE1 4.07Å; F125-F181 HydrophobicContact CD2-CE2 4.04Å; F125-F181 AromaticContact CD2-CZ 3.59Å; F125-F181 HydrophobicContact CD2-CZ 3.59Å; F125-F181 HydrophobicContact CE2-CE1 4.31Å; F125-F181 HydrophobicContact CE2-CZ 4.16Å; F125-F181 HydrophobicContact CG-CE1 4.43Å; F125-F181 AromaticContact CG-CE2 3.81Å; F125-F181 HydrophobicContact CG-CE2 3.81Å; F125-F181 AromaticContact CG-CZ 3.53Å; F125-F181 HydrophobicContact CG-CZ 3.53Å; L128-F181 HydrophobicContact CB-CB 4.49Å; L128-F181 HydrophobicContact CB-CG 4.44Å; L128-F181 HydrophobicContact CD1-CB 4.36Å; L128-F181 HydrophobicContact CD2-CB 4.29Å; L128-F181 HydrophobicContact CD2-CD1 3.59Å; L128-F181 HydrophobicContact CD2-CE1 4.02Å; L128-F181 HydrophobicContact CD2-CG 3.93Å; E177-F181 WeakPolarHBondContact O-CB 3.3Å; E177-F181 PolarHBondContact O-N 3.32Å; L179-F181 PolarHBondContact O-N 3.23Å; F181-D183 PolarHBondContact O-N 2.91Å; F181-V184 PolarHBondContact O-N 3.1Å; F181-V185 HydrophobicContact CD1-CG2 4.28Å; F181-V185 HydrophobicContact CD2-CG2 4.28Å; F181-V185 HydrophobicContact CE1-CG2 3.85Å; F181-V185 HydrophobicContact CE2-CG2 3.79Å; F181-V185 HydrophobicContact CZ-CG2 3.59Å; F181-V185 WeakPolarHBondContact O-CG2 3.13Å; F181-V185 PolarHBondContact O-N 3.35Å; F181-P207 HydrophobicContact CE1-CB 3.94Å; F181-P207 HydrophobicContact CZ-CB 4.26Å; F181-L208 HydrophobicContact CD1-CD2 4.47Å; F181-L208 HydrophobicContact CE1-CD2 4.45Å |
| 182 | K | 93.8 | Very high | 90.2 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 172.6 | 156.4 | -113.2 | 165.7 | -166.1 | 0 | 111.8 | T178 L179 R180 V184 V185 L186 L208 F255 | T178-K182 PolarHBondContact O-N 3.49Å; T178-K182 VanDerWaalsContact O-N 3.11Å; L179-K182 WeakPolarHBondContact O-CB 3.49Å; L179-K182 PolarHBondContact O-N 3.43Å; R180-K182 VanDerWaalsContact C-N 3.29Å; R180-K182 PolarHBondContact O-N 2.87Å; K182-V184 VanDerWaalsContact C-N 3.34Å; K182-V184 PolarHBondContact O-N 3.25Å; K182-V185 PolarHBondContact O-N 3.48Å; K182-L186 HydrophobicContact CD-CD1 4.47Å; K182-L186 HydrophobicContact CG-CD1 4.13Å; K182-L186 WeakPolarHBondContact O-CG 3.39Å; K182-L186 PolarHBondContact O-N 2.93Å; K182-L208 HydrophobicContact CB-CD2 3.93Å; K182-L208 HydrophobicContact CG-CD2 4.48Å; K182-F255 HydrophobicContact CB-CE2 4.24Å; K182-F255 HydrophobicContact CB-CZ 4.31Å; K182-F255 HydrophobicContact CD-CB 4.15Å; K182-F255 HydrophobicContact CD-CD1 4.42Å; K182-F255 HydrophobicContact CD-CD2 3.49Å; K182-F255 VanDerWaalsContact CD-CD2 3.49Å; K182-F255 HydrophobicContact CD-CE2 3.91Å; K182-F255 HydrophobicContact CD-CG 3.77Å; K182-F255 HydrophobicContact CG-CD2 3.59Å; K182-F255 HydrophobicContact CG-CE2 3.45Å; K182-F255 VanDerWaalsContact CG-CE2 3.45Å; K182-F255 HydrophobicContact CG-CG 4.26Å; K182-F255 HydrophobicContact CG-CZ 4.01Å |
| 183 | D | 93.7 | Very high | 88.2 | Confident | 71 Ų | 71 | 43.4 Ų | 43.4 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 179.4 | -66.6 | -30 | 0 | 0 | 0 | 110.9 | L179 R180 F181 V185 L186 L187 | L179-D183 PolarHBondContact O-N 3.12Å; R180-D183 PolarHBondContact O-N 3.34Å; R180-D183 VanDerWaalsContact O-N 3.11Å; F181-D183 PolarHBondContact O-N 2.91Å; D183-V185 VanDerWaalsContact C-N 3.35Å; D183-V185 PolarHBondContact O-N 3.32Å; D183-L186 PolarHBondContact O-N 2.94Å; D183-L187 WeakPolarHBondContact O-CB 3.49Å; D183-L187 WeakPolarHBondContact O-CG 3.43Å; D183-L187 PolarHBondContact O-N 3.15Å |
| 184 | V | 92.8 | Very high | 86.7 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 22% | 0.224 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 176 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | P121 D124 R180 F181 K182 S188 | P121-V184 HydrophobicContact CB-CG1 3.41Å; P121-V184 VanDerWaalsContact CB-CG1 3.41Å; P121-V184 HydrophobicContact CG-CG1 4.12Å; D124-V184 HydrophobicContact CB-CG1 4.29Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 2.87Å; F181-V184 PolarHBondContact O-N 3.1Å; K182-V184 VanDerWaalsContact C-N 3.34Å; K182-V184 PolarHBondContact O-N 3.25Å; V184-S188 WeakPolarHBondContact O-CB 3.19Å; V184-S188 PolarHBondContact O-N 2.66Å |
| 185 | V | 92.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | W76 P121 F181 K182 D183 S188 L189 L208 | W76-V185 HydrophobicContact CH2-CG2 3.88Å; W76-V185 HydrophobicContact CZ2-CG2 4.37Å; P121-V185 HydrophobicContact CG-CG2 3.88Å; F181-V185 HydrophobicContact CD1-CG2 4.28Å; F181-V185 HydrophobicContact CD2-CG2 4.28Å; F181-V185 HydrophobicContact CE1-CG2 3.85Å; F181-V185 HydrophobicContact CE2-CG2 3.79Å; F181-V185 HydrophobicContact CZ-CG2 3.59Å; F181-V185 WeakPolarHBondContact O-CG2 3.13Å; F181-V185 PolarHBondContact O-N 3.35Å; K182-V185 PolarHBondContact O-N 3.48Å; D183-V185 VanDerWaalsContact C-N 3.35Å; D183-V185 PolarHBondContact O-N 3.32Å; V185-S188 PolarHBondContact O-N 2.97Å; V185-S188 PolarHBondContact O-OG 3.21Å; V185-L189 HydrophobicContact CG1-CD1 4.49Å; V185-L189 WeakPolarHBondContact O-CG 3.49Å; V185-L189 PolarHBondContact O-N 3.23Å; V185-L208 HydrophobicContact CB-CD1 4.35Å; V185-L208 HydrophobicContact CB-CD2 4.03Å; V185-L208 HydrophobicContact CB-CG 4.41Å; V185-L208 HydrophobicContact CG1-CD1 3.86Å; V185-L208 HydrophobicContact CG1-CD2 4.13Å; V185-L208 HydrophobicContact CG1-CG 3.97Å; V185-L208 HydrophobicContact CG2-CD2 4.22Å |
| 186 | L | 90.5 | Very high | 84.8 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 177.8 | -67.6 | 179.4 | 0 | 0 | 0 | 111.9 | K182 D183 S188 L189 E190 L205 L208 | K182-L186 HydrophobicContact CD-CD1 4.47Å; K182-L186 HydrophobicContact CG-CD1 4.13Å; K182-L186 WeakPolarHBondContact O-CG 3.39Å; K182-L186 PolarHBondContact O-N 2.93Å; D183-L186 PolarHBondContact O-N 2.94Å; L186-S188 VanDerWaalsContact C-N 3.27Å; L186-S188 PolarHBondContact O-N 3.29Å; L186-L189 CarbonylContact O-C 3.59Å; L186-L189 WeakPolarHBondContact O-CA 3.34Å; L186-L189 WeakPolarHBondContact O-CB 3.49Å; L186-L189 PolarHBondContact O-N 2.94Å; L186-E190 PolarHBondContact O-N 3.43Å; L186-L205 HydrophobicContact CD2-CD2 4.21Å; L186-L208 HydrophobicContact CD2-CD1 4.05Å; L186-L208 HydrophobicContact CG-CD1 4.37Å |
| 187 | L | 88.3 | Confident | 84 | Confident | 100 Ų | 100 | 48.3 Ų | 48.3 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.1 | -41 | 171.7 | -72 | 168.7 | 0 | 0 | 0 | 111 | D183 L189 E190 | D183-L187 WeakPolarHBondContact O-CB 3.49Å; D183-L187 WeakPolarHBondContact O-CG 3.43Å; D183-L187 PolarHBondContact O-N 3.15Å; L187-L189 PolarHBondContact O-N 3.45Å; L187-E190 WeakPolarHBondContact CD2-OE2 3.35Å; L187-E190 WeakPolarHBondContact O-CB 3.48Å; L187-E190 PolarHBondContact O-N 3.46Å |
| 188 | S | 87.7 | Confident | 83.3 | Confident | 36 Ų | 36 | 49 Ų | 49 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -6.1 | 176.9 | 82.3 | 0 | 0 | 0 | 0 | 114.9 | V184 V185 L186 | V184-S188 WeakPolarHBondContact O-CB 3.19Å; V184-S188 PolarHBondContact O-N 2.66Å; V185-S188 PolarHBondContact O-N 2.97Å; V185-S188 PolarHBondContact O-OG 3.21Å; L186-S188 VanDerWaalsContact C-N 3.27Å; L186-S188 PolarHBondContact O-N 3.29Å |
| 189 | L | 84.6 | Confident | 82.8 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -7.1 | 176.5 | -64.7 | 170.2 | 0 | 0 | 0 | 112.5 | V185 L186 L187 G191 I192 A195 K204 L205 | V185-L189 HydrophobicContact CG1-CD1 4.49Å; V185-L189 WeakPolarHBondContact O-CG 3.49Å; V185-L189 PolarHBondContact O-N 3.23Å; L186-L189 CarbonylContact O-C 3.59Å; L186-L189 WeakPolarHBondContact O-CA 3.34Å; L186-L189 WeakPolarHBondContact O-CB 3.49Å; L186-L189 PolarHBondContact O-N 2.94Å; L187-L189 PolarHBondContact O-N 3.45Å; L189-G191 PolarHBondContact O-N 3.26Å; L189-I192 HydrophobicContact CD2-CD1 4.26Å; L189-I192 PolarHBondContact O-N 2.9Å; L189-A195 HydrophobicContact CB-CB 4.34Å; L189-A195 HydrophobicContact CD1-CB 4.39Å; L189-A195 HydrophobicContact CD2-CB 4.07Å; L189-K204 HydrophobicContact CD2-CB 3.95Å; L189-K204 HydrophobicContact CD2-CD 3.59Å; L189-K204 HydrophobicContact CD2-CG 4.42Å; L189-L205 HydrophobicContact CD1-CD1 4.4Å; L189-L205 HydrophobicContact CD1-CD2 3.27Å; L189-L205 HydrophobicContact CD1-CG 3.6Å |
| 190 | E | 71.8 | Confident | 82.3 | Confident | 145 Ų | 145 | 53 Ų | 53 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 131.4 | 173.7 | -71.1 | -178.6 | 170.5 | 0 | 0 | 109.4 | L186 L187 | L186-E190 PolarHBondContact O-N 3.43Å; L187-E190 WeakPolarHBondContact CD2-OE2 3.35Å; L187-E190 WeakPolarHBondContact O-CB 3.48Å; L187-E190 PolarHBondContact O-N 3.46Å |
| 191 | G | 66.6 | Low | 82 | Confident | 40 Ų | 40 | 47 Ų | 47 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -21.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115 | L189 Q193 T496 | L189-G191 PolarHBondContact O-N 3.26Å; G191-Q193 PolarHBondContact O-N 2.87Å; G191-T496 WeakPolarHBondContact O-CG2 3.45Å |
| 192 | I | 62.9 | Low | 81.8 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 28% | 0.282 | 28% | 0.276 | S | S | . | . | trans | -90.7 | 86.8 | 173.7 | -52.9 | 176 | 0 | 0 | 0 | 108.6 | L189 A194 A195 | L189-I192 HydrophobicContact CD2-CD1 4.26Å; L189-I192 PolarHBondContact O-N 2.9Å; I192-A194 PolarHBondContact O-N 3.19Å; I192-A195 HydrophobicContact CB-CB 4.36Å; I192-A195 HydrophobicContact CG2-CB 4.12Å; I192-A195 PolarHBondContact O-N 3.46Å | ||
| 193 | Q | 54.7 | Low | 81.7 | Confident | 116 Ų | 116 | 48.6 Ų | 48.6 | 54% | 0.542 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 139.8 | 170.2 | -74.2 | -174.7 | -1 | 0 | 0 | 109.7 | G191 A195 C500 Q503 | G191-Q193 PolarHBondContact O-N 2.87Å; Q193-A195 VanDerWaalsContact C-N 3.27Å; Q193-A195 PolarHBondContact O-N 2.77Å; Q193-C500 PolarHBondContact OE1-SG 3.43Å; Q193-C500 VanDerWaalsContact OE1-SG 3.37Å; Q193-Q503 PolarHBondContact O-NE2 3.32Å; Q193-Q503 PolarHBondContact O-OE1 3.08Å |
| 194 | A | 65.7 | Low | 81.7 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 31.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I192 S196 F197 | I192-A194 PolarHBondContact O-N 3.19Å; A194-S196 PolarHBondContact O-N 3.48Å; A194-F197 HydrophobicContact CB-CB 4.35Å; A194-F197 HydrophobicContact CB-CD2 3.63Å; A194-F197 HydrophobicContact CB-CE2 4.42Å; A194-F197 HydrophobicContact CB-CG 4.4Å; A194-F197 WeakPolarHBondContact O-CB 3.38Å; A194-F197 PolarHBondContact O-N 3.47Å |
| 195 | A | 74 | Confident | 81.7 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -31.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L189 I192 Q193 F197 T198 G201 Q202 | L189-A195 HydrophobicContact CB-CB 4.34Å; L189-A195 HydrophobicContact CD1-CB 4.39Å; L189-A195 HydrophobicContact CD2-CB 4.07Å; I192-A195 HydrophobicContact CB-CB 4.36Å; I192-A195 HydrophobicContact CG2-CB 4.12Å; I192-A195 PolarHBondContact O-N 3.46Å; Q193-A195 VanDerWaalsContact C-N 3.27Å; Q193-A195 PolarHBondContact O-N 2.77Å; A195-F197 PolarHBondContact O-N 3.2Å; A195-T198 PolarHBondContact O-OG1 2.95Å; A195-G201 CarbonylContact O-C 3.33Å; A195-G201 VanDerWaalsContact O-CA 3.26Å; A195-G201 WeakPolarHBondContact O-CA 3.45Å; A195-Q202 PolarHBondContact O-N 2.97Å |
| 196 | S | 79.2 | Confident | 81.7 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.4 | 174.9 | 49.4 | 0 | 0 | 0 | 0 | 115.2 | A194 Q202 | A194-S196 PolarHBondContact O-N 3.48Å; S196-Q202 WeakPolarHBondContact O-CG 3.18Å; S196-Q202 PolarHBondContact O-NE2 3.42Å |
| 197 | F | 80.3 | Confident | 82 | Confident | 130 Ų | 130 | 43.3 Ų | 43.3 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -16.1 | -176.9 | -59.9 | -83.7 | 0 | 0 | 0 | 113.1 | A194 A195 | A194-F197 HydrophobicContact CB-CB 4.35Å; A194-F197 HydrophobicContact CB-CD2 3.63Å; A194-F197 HydrophobicContact CB-CE2 4.42Å; A194-F197 HydrophobicContact CB-CG 4.4Å; A194-F197 WeakPolarHBondContact O-CB 3.38Å; A194-F197 PolarHBondContact O-N 3.47Å; A195-F197 PolarHBondContact O-N 3.2Å |
| 198 | T | 83.8 | Confident | 82.3 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 17% | 0.166 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -93.1 | 142.5 | 179.1 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | A195 S200 G201 Q202 | A195-T198 PolarHBondContact O-OG1 2.95Å; T198-S200 VanDerWaalsContact C-N 3.27Å; T198-S200 PolarHBondContact O-N 3.43Å; T198-G201 PolarHBondContact O-N 3.42Å; T198-G201 PolarHBondContact OG1-N 3.21Å; T198-G201 VanDerWaalsContact OG1-N 3.12Å; T198-Q202 WeakPolarHBondContact O-CB 3.33Å; T198-Q202 VanDerWaalsContact O-CG 3.24Å; T198-Q202 WeakPolarHBondContact O-CG 3.5Å; T198-Q202 PolarHBondContact O-N 3.46Å |
| 199 | P | 86 | Confident | 82.5 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 40% | 0.403 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.3 | -36 | 177.6 | -25.1 | 33.9 | 0 | 0 | 0 | 113.8 | E35 V36 P37 C203 | E35-P199 CarbonylContact O-C 3.24Å; E35-P199 VanDerWaalsContact O-C 3.24Å; V36-P199 HydrophobicContact CB-CB 4.36Å; V36-P199 HydrophobicContact CG1-CB 3.74Å; P37-P199 WeakPolarHBondContact CD-O 3.38Å; P199-C203 WeakPolarHBondContact O-CB 3.27Å; P199-C203 PolarHBondContact O-N 2.81Å |
| 200 | S | 87 | Confident | 83 | Confident | 32 Ų | 32 | 36.4 Ų | 36.4 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.9 | -45.9 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | E35 T198 Q202 C203 K204 | E35-S200 VanDerWaalsContact O-CA 3.26Å; E35-S200 WeakPolarHBondContact O-CA 3.33Å; E35-S200 PolarHBondContact O-N 3.04Å; E35-S200 WeakPolarHBondContact OE2-CB 3.49Å; E35-S200 PolarHBondContact OE2-OG 2.94Å; T198-S200 VanDerWaalsContact C-N 3.27Å; T198-S200 PolarHBondContact O-N 3.43Å; S200-Q202 PolarHBondContact O-N 3.35Å; S200-C203 WeakPolarHBondContact O-CB 3.23Å; S200-C203 PolarHBondContact O-N 3.26Å; S200-C203 VanDerWaalsContact O-N 3.14Å; S200-K204 PolarHBondContact O-N 3.22Å |
| 201 | G | 89.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A195 T198 C203 K204 L205 | A195-G201 CarbonylContact O-C 3.33Å; A195-G201 VanDerWaalsContact O-CA 3.26Å; A195-G201 WeakPolarHBondContact O-CA 3.45Å; T198-G201 PolarHBondContact O-N 3.42Å; T198-G201 PolarHBondContact OG1-N 3.21Å; T198-G201 VanDerWaalsContact OG1-N 3.12Å; G201-C203 VanDerWaalsContact C-N 3.34Å; G201-C203 PolarHBondContact O-N 2.89Å; G201-K204 PolarHBondContact O-N 3.37Å; G201-L205 WeakPolarHBondContact O-CB 3.42Å; G201-L205 VanDerWaalsContact O-CG 3.29Å; G201-L205 WeakPolarHBondContact O-CG 3.48Å; G201-L205 PolarHBondContact O-N 3.34Å |
| 202 | Q | 91.3 | Very high | 85.5 | Confident | 51 Ų | 51 | 27.6 Ų | 27.6 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | 172.6 | -69.2 | 178.8 | -0.2 | 0 | 0 | 112.8 | P37 A195 S196 T198 S200 K204 L205 L206 Y264 | P37-Q202 HydrophobicContact CG-CB 4.19Å; A195-Q202 PolarHBondContact O-N 2.97Å; S196-Q202 WeakPolarHBondContact O-CG 3.18Å; S196-Q202 PolarHBondContact O-NE2 3.42Å; T198-Q202 WeakPolarHBondContact O-CB 3.33Å; T198-Q202 VanDerWaalsContact O-CG 3.24Å; T198-Q202 WeakPolarHBondContact O-CG 3.5Å; T198-Q202 PolarHBondContact O-N 3.46Å; S200-Q202 PolarHBondContact O-N 3.35Å; Q202-K204 VanDerWaalsContact C-N 3.35Å; Q202-L205 PolarHBondContact O-N 3.11Å; Q202-L206 PolarHBondContact O-N 3.22Å; Q202-L206 VanDerWaalsContact O-N 3.12Å; Q202-Y264 HydrophobicContact CB-CD2 4.33Å; Q202-Y264 HydrophobicContact CB-CE2 3.68Å; Q202-Y264 HydrophobicContact CG-CD2 3.59Å; Q202-Y264 HydrophobicContact CG-CE2 3.44Å; Q202-Y264 VanDerWaalsContact CG-CE2 3.44Å; Q202-Y264 HydrophobicContact CG-CG 4.38Å; Q202-Y264 PolarHBondContact O-OH 2.88Å |
| 203 | C | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.1 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | W76 P199 S200 G201 L206 | W76-C203 PolarHBondContact NE1-O 3.36Å; P199-C203 WeakPolarHBondContact O-CB 3.27Å; P199-C203 PolarHBondContact O-N 2.81Å; S200-C203 WeakPolarHBondContact O-CB 3.23Å; S200-C203 PolarHBondContact O-N 3.26Å; S200-C203 VanDerWaalsContact O-N 3.14Å; G201-C203 VanDerWaalsContact C-N 3.34Å; G201-C203 PolarHBondContact O-N 2.89Å; C203-L206 WeakPolarHBondContact O-CB 3.36Å |
| 204 | K | 93 | Very high | 88.8 | Confident | 20 Ų | 20 | 19.9 Ų | 19.9 | 9% | 0.087 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.4 | -41.4 | 173.7 | -76.1 | -179.4 | 172.9 | -168.4 | 0 | 113.1 | W76 G119 Y120 L189 S200 G201 Q202 L206 P207 | W76-K204 VanDerWaalsContact CZ2-O 3.31Å; W76-K204 WeakPolarHBondContact CZ2-O 3.44Å; G119-K204 WeakPolarHBondContact O-CE 3.46Å; G119-K204 PolarHBondContact O-NZ 2.99Å; Y120-K204 HydrophobicContact CD1-CG 3.78Å; Y120-K204 HydrophobicContact CE1-CB 4.43Å; Y120-K204 HydrophobicContact CE1-CD 4.31Å; Y120-K204 HydrophobicContact CE1-CG 3.31Å; L189-K204 HydrophobicContact CD2-CB 3.95Å; L189-K204 HydrophobicContact CD2-CD 3.59Å; L189-K204 HydrophobicContact CD2-CG 4.42Å; S200-K204 PolarHBondContact O-N 3.22Å; G201-K204 PolarHBondContact O-N 3.37Å; Q202-K204 VanDerWaalsContact C-N 3.35Å; K204-L206 PolarHBondContact O-N 3.05Å; K204-P207 VanDerWaalsContact O-CD 3.26Å; K204-P207 WeakPolarHBondContact O-CD 3.11Å |
| 205 | L | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.8 | -20 | 179.9 | -72.7 | 169.8 | 0 | 0 | 0 | 113.6 | L186 L189 G201 Q202 L208 M262 Y264 F265 | L186-L205 HydrophobicContact CD2-CD2 4.21Å; L189-L205 HydrophobicContact CD1-CD1 4.4Å; L189-L205 HydrophobicContact CD1-CD2 3.27Å; L189-L205 HydrophobicContact CD1-CG 3.6Å; G201-L205 WeakPolarHBondContact O-CB 3.42Å; G201-L205 VanDerWaalsContact O-CG 3.29Å; G201-L205 WeakPolarHBondContact O-CG 3.48Å; G201-L205 PolarHBondContact O-N 3.34Å; Q202-L205 PolarHBondContact O-N 3.11Å; L205-L208 HydrophobicContact CD2-CD1 3.96Å; L205-L208 VanDerWaalsContact O-CB 3.27Å; L205-L208 WeakPolarHBondContact O-CB 3.42Å; L205-L208 PolarHBondContact O-N 2.85Å; L205-M262 HydrophobicContact CD1-CE 4.2Å; L205-Y264 HydrophobicContact CB-CD1 4.29Å; L205-Y264 HydrophobicContact CB-CE1 3.99Å; L205-Y264 HydrophobicContact CD1-CD1 4.32Å; L205-F265 HydrophobicContact CB-CZ 4Å; L205-F265 HydrophobicContact CD2-CE2 4.24Å; L205-F265 HydrophobicContact CD2-CZ 3.93Å; L205-F265 HydrophobicContact CG-CZ 4.4Å |
| 206 | L | 93.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 17.3 Ų | 17.3 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -51.4 | -45.1 | -171.2 | -177.1 | 76.9 | 0 | 0 | 0 | 115.2 | P37 P38 Y80 Q202 C203 K204 L208 I209 | P37-L206 HydrophobicContact CB-CD1 4.45Å; P38-L206 HydrophobicContact CG-CD2 3.7Å; Y80-L206 HydrophobicContact CD1-CD2 3.47Å; Y80-L206 VanDerWaalsContact CD1-CD2 3.47Å; Y80-L206 HydrophobicContact CD1-CG 4.3Å; Y80-L206 HydrophobicContact CD2-CD2 3.81Å; Y80-L206 HydrophobicContact CD2-CG 3.8Å; Y80-L206 HydrophobicContact CE1-CD2 3.48Å; Y80-L206 VanDerWaalsContact CE1-CD2 3.48Å; Y80-L206 HydrophobicContact CE1-CG 4.07Å; Y80-L206 HydrophobicContact CE2-CD1 4.18Å; Y80-L206 HydrophobicContact CE2-CD2 3.83Å; Y80-L206 HydrophobicContact CE2-CG 3.55Å; Y80-L206 HydrophobicContact CG-CD2 3.62Å; Y80-L206 HydrophobicContact CG-CG 4.16Å; Q202-L206 PolarHBondContact O-N 3.22Å; Q202-L206 VanDerWaalsContact O-N 3.12Å; C203-L206 WeakPolarHBondContact O-CB 3.36Å; K204-L206 PolarHBondContact O-N 3.05Å; L206-L208 PolarHBondContact O-N 3.33Å; L206-I209 HydrophobicContact CD1-CD1 4.11Å; L206-I209 WeakPolarHBondContact O-CB 3.45Å; L206-I209 WeakPolarHBondContact O-CG1 3.47Å; L206-I209 PolarHBondContact O-N 3.48Å; L206-I209 VanDerWaalsContact O-N 3.16Å |
| 207 | P | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.3 | -22.7 | 178.5 | -26.6 | 40.7 | 0 | 0 | 0 | 114.1 | W76 Y80 F125 F181 K204 I209 Q210 C211 | W76-P207 HydrophobicContact CH2-CG 4.24Å; W76-P207 HydrophobicContact CZ2-CB 4.42Å; W76-P207 HydrophobicContact CZ2-CG 3.45Å; W76-P207 VanDerWaalsContact CZ2-CG 3.45Å; Y80-P207 HydrophobicContact CD2-CG 4.39Å; F125-P207 HydrophobicContact CD1-CG 4.38Å; F125-P207 HydrophobicContact CE1-CB 3.9Å; F125-P207 HydrophobicContact CE1-CG 3.55Å; F125-P207 HydrophobicContact CE2-CB 4.24Å; F125-P207 HydrophobicContact CZ-CB 3.61Å; F125-P207 HydrophobicContact CZ-CG 3.78Å; F181-P207 HydrophobicContact CE1-CB 3.94Å; F181-P207 HydrophobicContact CZ-CB 4.26Å; K204-P207 VanDerWaalsContact O-CD 3.26Å; K204-P207 WeakPolarHBondContact O-CD 3.11Å; P207-I209 PolarHBondContact O-N 2.78Å; P207-Q210 PolarHBondContact O-N 2.78Å; P207-C211 PolarHBondContact O-N 3.09Å; P207-C211 VanDerWaalsContact O-N 3.08Å; P207-C211 PolarHBondContact O-SG 3.01Å |
| 208 | L | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.6 | -24.9 | 177.3 | -57.5 | -171.3 | 0 | 0 | 0 | 111.9 | F181 K182 V185 L186 L205 L206 Q210 C211 I212 F265 | F181-L208 HydrophobicContact CD1-CD2 4.47Å; F181-L208 HydrophobicContact CE1-CD2 4.45Å; K182-L208 HydrophobicContact CB-CD2 3.93Å; K182-L208 HydrophobicContact CG-CD2 4.48Å; V185-L208 HydrophobicContact CB-CD1 4.35Å; V185-L208 HydrophobicContact CB-CD2 4.03Å; V185-L208 HydrophobicContact CB-CG 4.41Å; V185-L208 HydrophobicContact CG1-CD1 3.86Å; V185-L208 HydrophobicContact CG1-CD2 4.13Å; V185-L208 HydrophobicContact CG1-CG 3.97Å; V185-L208 HydrophobicContact CG2-CD2 4.22Å; L186-L208 HydrophobicContact CD2-CD1 4.05Å; L186-L208 HydrophobicContact CG-CD1 4.37Å; L205-L208 HydrophobicContact CD2-CD1 3.96Å; L205-L208 VanDerWaalsContact O-CB 3.27Å; L205-L208 WeakPolarHBondContact O-CB 3.42Å; L205-L208 PolarHBondContact O-N 2.85Å; L206-L208 PolarHBondContact O-N 3.33Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.15Å; L208-C211 HydrophobicContact CD2-CB 4.46Å; L208-C211 PolarHBondContact O-N 2.8Å; L208-C211 VanDerWaalsContact O-N 3.16Å; L208-I212 WeakPolarHBondContact O-CD1 3.14Å; L208-I212 WeakPolarHBondContact O-CG1 3.3Å; L208-I212 PolarHBondContact O-N 3.12Å; L208-F265 HydrophobicContact CB-CE1 3.83Å; L208-F265 HydrophobicContact CB-CZ 3.85Å; L208-F265 HydrophobicContact CD1-CZ 4.11Å |
| 209 | I | 93.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 9.3 Ų | 9.3 | 3% | 0.026 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 171.4 | -58.8 | 176.5 | 0 | 0 | 0 | 110.5 | L206 P207 Q213 Y264 F265 F268 V269 M297 | L206-I209 HydrophobicContact CD1-CD1 4.11Å; L206-I209 WeakPolarHBondContact O-CB 3.45Å; L206-I209 WeakPolarHBondContact O-CG1 3.47Å; L206-I209 PolarHBondContact O-N 3.48Å; L206-I209 VanDerWaalsContact O-N 3.16Å; P207-I209 PolarHBondContact O-N 2.78Å; I209-Q213 WeakPolarHBondContact O-CG 3.37Å; I209-Y264 HydrophobicContact CD1-CE1 4.3Å; I209-F265 HydrophobicContact CG1-CD1 3.94Å; I209-F265 HydrophobicContact CG1-CE1 3.99Å; I209-F268 HydrophobicContact CD1-CB 4.13Å; I209-F268 HydrophobicContact CD1-CD1 4.36Å; I209-F268 HydrophobicContact CD1-CD2 3.85Å; I209-F268 HydrophobicContact CD1-CE2 4.4Å; I209-F268 HydrophobicContact CD1-CG 3.84Å; I209-V269 HydrophobicContact CG2-CG1 4.11Å; I209-M297 HydrophobicContact CG2-CE 4.04Å; I209-M297 HydrophobicContact CG2-SD 4.5Å |
| 210 | Q | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -74.6 | -35.9 | 176.5 | -60.8 | -57 | -87.4 | 0 | 0 | 111.8 | Y80 H83 K84 P207 L208 I212 Q213 D214 | Y80-Q210 HydrophobicContact CE2-CG 4.14Å; H83-Q210 VanDerWaalsContact CE1-CB 3.47Å; H83-Q210 WeakPolarHBondContact CE1-CB 3.4Å; K84-Q210 VanDerWaalsContact CD-CD 3.43Å; K84-Q210 HydrophobicContact CD-CG 4.21Å; P207-Q210 PolarHBondContact O-N 2.78Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.15Å; Q210-I212 PolarHBondContact O-N 3.22Å; Q210-Q213 VanDerWaalsContact NE2-OE1 3.09Å; Q210-Q213 PolarHBondContact O-N 3.4Å; Q210-D214 WeakPolarHBondContact O-CB 3.26Å; Q210-D214 PolarHBondContact O-N 2.94Å |
| 211 | C | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.3 | -36.3 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 113 | T178 P207 L208 Q213 D214 A215 | T178-C211 HydrophobicContact CG2-CB 3.72Å; P207-C211 PolarHBondContact O-N 3.09Å; P207-C211 VanDerWaalsContact O-N 3.08Å; P207-C211 PolarHBondContact O-SG 3.01Å; L208-C211 HydrophobicContact CD2-CB 4.46Å; L208-C211 PolarHBondContact O-N 2.8Å; L208-C211 VanDerWaalsContact O-N 3.16Å; C211-Q213 VanDerWaalsContact C-N 3.31Å; C211-Q213 PolarHBondContact O-N 3.43Å; C211-D214 PolarHBondContact O-N 3.01Å; C211-A215 WeakPolarHBondContact O-CB 3.21Å; C211-A215 PolarHBondContact O-N 2.9Å |
| 212 | I | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 174.9 | -67.4 | 154.9 | 0 | 0 | 0 | 110.2 | L208 Q210 A216 F255 F256 V259 F265 V269 I271 V295 | L208-I212 WeakPolarHBondContact O-CD1 3.14Å; L208-I212 WeakPolarHBondContact O-CG1 3.3Å; L208-I212 PolarHBondContact O-N 3.12Å; Q210-I212 PolarHBondContact O-N 3.22Å; I212-A216 WeakPolarHBondContact O-CB 3.44Å; I212-A216 PolarHBondContact O-N 3.29Å; I212-A216 VanDerWaalsContact O-N 3.08Å; I212-F255 HydrophobicContact CB-CZ 4.45Å; I212-F255 HydrophobicContact CG1-CE1 4.09Å; I212-F255 HydrophobicContact CG1-CE2 4.14Å; I212-F255 HydrophobicContact CG1-CZ 3.52Å; I212-F256 HydrophobicContact CG2-CE1 4.2Å; I212-F256 HydrophobicContact CG2-CZ 4.38Å; I212-V259 HydrophobicContact CD1-CB 4.46Å; I212-V259 HydrophobicContact CD1-CG1 3.38Å; I212-V259 HydrophobicContact CD1-CG2 4.42Å; I212-V259 HydrophobicContact CG1-CG1 4.13Å; I212-F265 HydrophobicContact CD1-CD1 3.79Å; I212-F265 HydrophobicContact CD1-CE1 4.2Å; I212-F265 HydrophobicContact CD1-CG 4.27Å; I212-V269 HydrophobicContact CD1-CG2 4.22Å; I212-I271 HydrophobicContact CG2-CG1 4.38Å; I212-V295 HydrophobicContact CG2-CG1 4.13Å; I212-V295 HydrophobicContact CG2-CG2 4.08Å |
| 213 | Q | 93.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 4.5 Ų | 4.5 | 4% | 0.037 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -71 | -41.8 | -178.9 | -59 | -178.2 | -42.8 | 0 | 0 | 112.1 | I209 Q210 C211 A216 A217 V295 M297 | I209-Q213 WeakPolarHBondContact O-CG 3.37Å; Q210-Q213 VanDerWaalsContact NE2-OE1 3.09Å; Q210-Q213 PolarHBondContact O-N 3.4Å; C211-Q213 VanDerWaalsContact C-N 3.31Å; C211-Q213 PolarHBondContact O-N 3.43Å; Q213-A216 PolarHBondContact O-N 3.35Å; Q213-A217 PolarHBondContact O-N 3.26Å; Q213-A217 VanDerWaalsContact O-N 3.08Å; Q213-V295 HydrophobicContact CG-CB 4.37Å; Q213-V295 HydrophobicContact CG-CG1 4.05Å; Q213-M297 VanDerWaalsContact NE2-CE 3.27Å; Q213-M297 PolarHBondContact NE2-SD 3.4Å |
| 214 | D | 94.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.3 | -74.8 | 1.1 | 0 | 0 | 0 | 111 | H83 R87 K132 L146 Q210 C211 A216 A217 L218 | H83-D214 IonicContact CD2-OD2 3.08Å; H83-D214 IonicContact CE1-OD2 2.73Å; H83-D214 IonicContact NE2-OD2 3.96Å; H83-D214 PolarHBondContact NE2-OD2 3.12Å; R87-D214 IonicContact CZ-OD1 2.72Å; R87-D214 IonicContact NH1-OD1 2.58Å; R87-D214 PolarHBondContact NH1-OD1 3.12Å; K132-D214 IonicContact NZ-OD1 2.9Å; K132-D214 PolarHBondContact NZ-OD1 2.73Å; K132-D214 IonicContact NZ-OD2 2.61Å; K132-D214 PolarHBondContact NZ-OD2 3.49Å; L146-D214 HydrophobicContact CD1-CB 4.33Å; Q210-D214 WeakPolarHBondContact O-CB 3.26Å; Q210-D214 PolarHBondContact O-N 2.94Å; C211-D214 PolarHBondContact O-N 3.01Å; D214-A216 VanDerWaalsContact C-N 3.35Å; D214-A216 PolarHBondContact O-N 2.76Å; D214-A217 PolarHBondContact O-N 3.4Å; D214-L218 VanDerWaalsContact O-CB 3.27Å; D214-L218 WeakPolarHBondContact O-CB 3.31Å; D214-L218 WeakPolarHBondContact O-CD1 3.34Å; D214-L218 WeakPolarHBondContact O-CG 3.18Å; D214-L218 PolarHBondContact O-N 3.26Å |
| 215 | A | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L175 T178 C211 Y219 F255 F256 | L175-A215 HydrophobicContact CD1-CB 3.89Å; T178-A215 HydrophobicContact CG2-CB 4.27Å; C211-A215 WeakPolarHBondContact O-CB 3.21Å; C211-A215 PolarHBondContact O-N 2.9Å; A215-Y219 WeakPolarHBondContact O-CB 3.39Å; A215-Y219 PolarHBondContact O-N 3.5Å; A215-F255 HydrophobicContact CB-CD1 4.45Å; A215-F255 HydrophobicContact CB-CE1 4.17Å; A215-F256 HydrophobicContact CB-CE1 4.23Å |
| 216 | A | 92.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 6.4 Ų | 6.4 | 3% | 0.025 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.6 | -51 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I212 Q213 D214 L218 Y219 E220 F256 V295 | I212-A216 WeakPolarHBondContact O-CB 3.44Å; I212-A216 PolarHBondContact O-N 3.29Å; I212-A216 VanDerWaalsContact O-N 3.08Å; Q213-A216 PolarHBondContact O-N 3.35Å; D214-A216 VanDerWaalsContact C-N 3.35Å; D214-A216 PolarHBondContact O-N 2.76Å; A216-L218 PolarHBondContact O-N 2.87Å; A216-Y219 PolarHBondContact O-N 3.42Å; A216-E220 WeakPolarHBondContact O-CG 3.29Å; A216-E220 PolarHBondContact O-N 3.34Å; A216-F256 HydrophobicContact CB-CE2 4.37Å; A216-F256 HydrophobicContact CB-CZ 3.97Å; A216-V295 HydrophobicContact CB-CG2 3.64Å |
| 217 | A | 92.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 6.5 Ų | 6.5 | 3% | 0.025 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L146 E147 Q213 D214 E220 L221 | L146-A217 HydrophobicContact CB-CB 3.98Å; E147-A217 HydrophobicContact CG-CB 3.92Å; Q213-A217 PolarHBondContact O-N 3.26Å; Q213-A217 VanDerWaalsContact O-N 3.08Å; D214-A217 PolarHBondContact O-N 3.4Å; A217-E220 PolarHBondContact O-N 3.4Å; A217-L221 VanDerWaalsContact O-CB 3.31Å; A217-L221 WeakPolarHBondContact O-CB 3.49Å; A217-L221 PolarHBondContact O-N 3.29Å |
| 218 | L | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 177 | -73.1 | 167.5 | 0 | 0 | 0 | 112 | L146 L171 M174 L175 D214 A216 S222 | L146-L218 HydrophobicContact CD1-CD1 4.28Å; L146-L218 HydrophobicContact CD1-CD2 3.96Å; L146-L218 HydrophobicContact CD1-CG 3.92Å; L171-L218 HydrophobicContact CD2-CD2 3.8Å; M174-L218 HydrophobicContact CB-CD1 4.15Å; M174-L218 HydrophobicContact CB-CD2 4.2Å; M174-L218 HydrophobicContact CG-CD1 3.65Å; M174-L218 HydrophobicContact CG-CD2 4.1Å; L175-L218 HydrophobicContact CB-CB 4.26Å; L175-L218 HydrophobicContact CB-CD1 4.37Å; L175-L218 HydrophobicContact CD1-CB 4.2Å; D214-L218 VanDerWaalsContact O-CB 3.27Å; D214-L218 WeakPolarHBondContact O-CB 3.31Å; D214-L218 WeakPolarHBondContact O-CD1 3.34Å; D214-L218 WeakPolarHBondContact O-CG 3.18Å; D214-L218 PolarHBondContact O-N 3.26Å; A216-L218 PolarHBondContact O-N 2.87Å; L218-S222 VanDerWaalsContact O-CB 3.23Å; L218-S222 WeakPolarHBondContact O-CB 3.36Å; L218-S222 PolarHBondContact O-N 2.96Å; L218-S222 PolarHBondContact O-OG 2.67Å |
| 219 | Y | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.9 | -50.3 | 176.3 | 179.6 | -83.8 | 0 | 0 | 0 | 111 | A215 A216 L221 S222 V223 F245 H249 V252 H290 L293 | A215-Y219 WeakPolarHBondContact O-CB 3.39Å; A215-Y219 PolarHBondContact O-N 3.5Å; A216-Y219 PolarHBondContact O-N 3.42Å; Y219-L221 PolarHBondContact O-N 2.97Å; Y219-S222 PolarHBondContact O-N 3.31Å; Y219-V223 HydrophobicContact CD1-CG2 4.17Å; Y219-V223 HydrophobicContact CE1-CG2 3.81Å; Y219-V223 WeakPolarHBondContact O-CG2 3.25Å; Y219-V223 PolarHBondContact O-N 2.94Å; Y219-F245 HydrophobicContact CD2-CE2 4.26Å; Y219-F245 AromaticContact CD2-CZ 3.87Å; Y219-F245 HydrophobicContact CD2-CZ 3.87Å; Y219-F245 HydrophobicContact CE1-CZ 4.32Å; Y219-F245 AromaticContact CE2-CE1 3.9Å; Y219-F245 HydrophobicContact CE2-CE1 3.9Å; Y219-F245 HydrophobicContact CE2-CE2 4.16Å; Y219-F245 AromaticContact CE2-CZ 3.34Å; Y219-F245 HydrophobicContact CE2-CZ 3.34Å; Y219-F245 AromaticContact CZ-CZ 3.61Å; Y219-H249 HydrophobicContact CE2-CB 4.18Å; Y219-H249 AromaticContact CE2-ND1 3.76Å; Y219-H249 AromaticContact CZ-ND1 3.66Å; Y219-H249 PolarHBondContact OH-ND1 3.49Å; Y219-V252 HydrophobicContact CD2-CG2 4.33Å; Y219-H290 AromaticContact CE1-NE2 3.56Å; Y219-L293 HydrophobicContact CD1-CD1 3.38Å; Y219-L293 HydrophobicContact CD1-CG 4.47Å; Y219-L293 HydrophobicContact CE1-CD1 3.62Å; Y219-L293 HydrophobicContact CG-CD1 4.13Å |
| 220 | E | 90.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 9.3 Ų | 9.3 | 17% | 0.168 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 177.5 | -72.9 | -168.5 | 150 | 0 | 0 | 112.2 | A216 A217 S222 V223 Q224 T292 L293 | A216-E220 WeakPolarHBondContact O-CG 3.29Å; A216-E220 PolarHBondContact O-N 3.34Å; A217-E220 PolarHBondContact O-N 3.4Å; E220-S222 VanDerWaalsContact C-N 3.34Å; E220-S222 PolarHBondContact O-N 2.86Å; E220-V223 PolarHBondContact O-N 3.22Å; E220-Q224 WeakPolarHBondContact O-CG 3.47Å; E220-Q224 PolarHBondContact O-N 3.1Å; E220-Q224 VanDerWaalsContact O-N 3.12Å; E220-T292 WeakPolarHBondContact OE1-CA 3.43Å; E220-T292 WeakPolarHBondContact OE1-CB 3.41Å; E220-L293 HydrophobicContact CG-CB 4.19Å; E220-L293 VanDerWaalsContact OE1-C 3.23Å; E220-L293 WeakPolarHBondContact OE1-CA 3.28Å; E220-L293 PolarHBondContact OE1-N 3.42Å |
| 221 | L | 92.3 | Very high | 92.2 | Very high | 10 Ų | 10 | 14.4 Ų | 14.4 | 5% | 0.052 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | -179 | -172 | 54.4 | 0 | 0 | 0 | 111.7 | L142 L148 L153 F167 L171 A217 Y219 Q224 V225 | L142-L221 HydrophobicContact CD2-CD2 4.05Å; L148-L221 HydrophobicContact CD1-CD1 3.64Å; L148-L221 HydrophobicContact CD1-CD2 4.23Å; L153-L221 HydrophobicContact CD1-CD1 3.76Å; F167-L221 HydrophobicContact CE1-CD2 4.39Å; F167-L221 HydrophobicContact CE1-CG 4.45Å; F167-L221 HydrophobicContact CZ-CD2 3.89Å; F167-L221 HydrophobicContact CZ-CG 4.4Å; L171-L221 HydrophobicContact CD1-CB 4.37Å; L171-L221 HydrophobicContact CD1-CD2 4.14Å; L171-L221 HydrophobicContact CD1-CG 3.77Å; L171-L221 HydrophobicContact CD2-CD2 3.85Å; L171-L221 HydrophobicContact CD2-CG 4.34Å; A217-L221 VanDerWaalsContact O-CB 3.31Å; A217-L221 WeakPolarHBondContact O-CB 3.49Å; A217-L221 PolarHBondContact O-N 3.29Å; Y219-L221 PolarHBondContact O-N 2.97Å; L221-Q224 PolarHBondContact O-N 3.28Å; L221-V225 HydrophobicContact CD1-CG2 4.4Å; L221-V225 VanDerWaalsContact O-CG2 3.31Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.38Å |
| 222 | S | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.5 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | L218 Y219 E220 Q224 V225 I226 | L218-S222 VanDerWaalsContact O-CB 3.23Å; L218-S222 WeakPolarHBondContact O-CB 3.36Å; L218-S222 PolarHBondContact O-N 2.96Å; L218-S222 PolarHBondContact O-OG 2.67Å; Y219-S222 PolarHBondContact O-N 3.31Å; E220-S222 VanDerWaalsContact C-N 3.34Å; E220-S222 PolarHBondContact O-N 2.86Å; S222-Q224 PolarHBondContact O-N 3.35Å; S222-V225 PolarHBondContact O-N 3.47Å; S222-I226 WeakPolarHBondContact O-CB 3.41Å; S222-I226 WeakPolarHBondContact O-CD1 3.44Å; S222-I226 WeakPolarHBondContact O-CG1 3.32Å; S222-I226 PolarHBondContact O-N 3.21Å |
| 223 | V | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.3 | -49.5 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | Y219 E220 V225 I226 F227 F245 P279 F281 L287 | Y219-V223 HydrophobicContact CD1-CG2 4.17Å; Y219-V223 HydrophobicContact CE1-CG2 3.81Å; Y219-V223 WeakPolarHBondContact O-CG2 3.25Å; Y219-V223 PolarHBondContact O-N 2.94Å; E220-V223 PolarHBondContact O-N 3.22Å; V223-V225 PolarHBondContact O-N 3.47Å; V223-I226 PolarHBondContact O-N 3.13Å; V223-F227 HydrophobicContact CG1-CD2 3.72Å; V223-F227 HydrophobicContact CG1-CE2 3.75Å; V223-F227 VanDerWaalsContact O-CD2 3.3Å; V223-F227 WeakPolarHBondContact O-CD2 3.27Å; V223-F227 PolarHBondContact O-N 3.14Å; V223-F245 HydrophobicContact CG2-CE1 4.23Å; V223-F245 HydrophobicContact CG2-CE2 3.9Å; V223-F245 HydrophobicContact CG2-CZ 3.35Å; V223-P279 HydrophobicContact CG2-CG 4.38Å; V223-F281 HydrophobicContact CB-CE1 4.5Å; V223-F281 HydrophobicContact CG1-CE1 4.23Å; V223-L287 HydrophobicContact CG1-CD1 4.44Å |
| 224 | Q | 91 | Very high | 90.8 | Very high | 59 Ų | 59 | 22 Ų | 22 | 28% | 0.276 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -60.8 | -45 | -179.5 | -67.3 | -73.8 | -11.4 | 0 | 0 | 112.5 | L153 E220 L221 S222 K228 | L153-Q224 HydrophobicContact CD1-CB 4.19Å; L153-Q224 HydrophobicContact CD1-CG 4.41Å; L153-Q224 HydrophobicContact CD2-CG 4.18Å; E220-Q224 WeakPolarHBondContact O-CG 3.47Å; E220-Q224 PolarHBondContact O-N 3.1Å; E220-Q224 VanDerWaalsContact O-N 3.12Å; L221-Q224 PolarHBondContact O-N 3.28Å; S222-Q224 PolarHBondContact O-N 3.35Å; Q224-K228 PolarHBondContact O-N 2.93Å; Q224-K228 VanDerWaalsContact O-N 3.16Å |
| 225 | V | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.5 | -42.1 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | L157 F167 L171 L221 S222 V223 K228 L229 | L157-V225 HydrophobicContact CD2-CG2 4.05Å; F167-V225 HydrophobicContact CD1-CG1 4.43Å; F167-V225 HydrophobicContact CD1-CG2 3.87Å; F167-V225 HydrophobicContact CE1-CG2 3.83Å; L171-V225 HydrophobicContact CD1-CG2 4.11Å; L221-V225 HydrophobicContact CD1-CG2 4.4Å; L221-V225 VanDerWaalsContact O-CG2 3.31Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.38Å; S222-V225 PolarHBondContact O-N 3.47Å; V223-V225 PolarHBondContact O-N 3.47Å; V225-K228 PolarHBondContact O-N 2.98Å; V225-L229 HydrophobicContact CG1-CD1 4.01Å; V225-L229 HydrophobicContact CG1-CG 4.38Å; V225-L229 WeakPolarHBondContact O-CG 3.43Å; V225-L229 PolarHBondContact O-N 2.7Å |
| 226 | I | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -41 | -179.6 | -66 | 167.1 | 0 | 0 | 0 | 111.1 | S168 M172 S222 V223 K228 L229 H230 M238 F245 F281 | S168-I226 WeakPolarHBondContact OG-CG1 3.4Å; M172-I226 HydrophobicContact SD-CD1 4.31Å; S222-I226 WeakPolarHBondContact O-CB 3.41Å; S222-I226 WeakPolarHBondContact O-CD1 3.44Å; S222-I226 WeakPolarHBondContact O-CG1 3.32Å; S222-I226 PolarHBondContact O-N 3.21Å; V223-I226 PolarHBondContact O-N 3.13Å; I226-K228 VanDerWaalsContact C-N 3.3Å; I226-K228 PolarHBondContact O-N 3.48Å; I226-L229 PolarHBondContact O-N 3.07Å; I226-H230 PolarHBondContact O-N 3.22Å; I226-M238 HydrophobicContact CG2-CE 4.37Å; I226-F245 HydrophobicContact CD1-CB 4.02Å; I226-F245 HydrophobicContact CD1-CD2 3.47Å; I226-F245 VanDerWaalsContact CD1-CD2 3.47Å; I226-F245 HydrophobicContact CD1-CE2 4.22Å; I226-F245 HydrophobicContact CD1-CG 3.91Å; I226-F281 HydrophobicContact CB-CD1 4Å; I226-F281 HydrophobicContact CB-CE1 3.79Å; I226-F281 HydrophobicContact CB-CZ 4.11Å; I226-F281 HydrophobicContact CD1-CE2 4.48Å; I226-F281 HydrophobicContact CD1-CZ 4.11Å; I226-F281 HydrophobicContact CG2-CB 4.18Å; I226-F281 HydrophobicContact CG2-CD1 3.51Å; I226-F281 HydrophobicContact CG2-CD2 3.77Å; I226-F281 HydrophobicContact CG2-CE1 3.69Å; I226-F281 HydrophobicContact CG2-CE2 3.92Å; I226-F281 HydrophobicContact CG2-CG 3.54Å; I226-F281 HydrophobicContact CG2-CZ 3.88Å |
| 227 | F | 90.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 172.4 | -91.3 | -69.6 | 0 | 0 | 0 | 111.6 | V223 H230 E231 P279 F281 V283 E286 L287 | V223-F227 HydrophobicContact CG1-CD2 3.72Å; V223-F227 HydrophobicContact CG1-CE2 3.75Å; V223-F227 VanDerWaalsContact O-CD2 3.3Å; V223-F227 WeakPolarHBondContact O-CD2 3.27Å; V223-F227 PolarHBondContact O-N 3.14Å; F227-H230 WeakPolarHBondContact O-CB 3.47Å; F227-H230 PolarHBondContact O-N 3.31Å; F227-E231 PolarHBondContact O-N 3.3Å; F227-P279 HydrophobicContact CE2-CB 4.1Å; F227-P279 HydrophobicContact CZ-CB 4.25Å; F227-F281 HydrophobicContact CD1-CD1 4.15Å; F227-F281 AromaticContact CD2-CD1 3.58Å; F227-F281 HydrophobicContact CD2-CD1 3.58Å; F227-F281 AromaticContact CD2-CE1 3.78Å; F227-F281 HydrophobicContact CD2-CE1 3.78Å; F227-F281 HydrophobicContact CE1-CD1 4.19Å; F227-F281 AromaticContact CE2-CD1 3.63Å; F227-F281 HydrophobicContact CE2-CD1 3.63Å; F227-F281 AromaticContact CE2-CE1 3.83Å; F227-F281 HydrophobicContact CE2-CE1 3.83Å; F227-F281 AromaticContact CG-CD1 3.85Å; F227-F281 HydrophobicContact CG-CD1 3.85Å; F227-F281 HydrophobicContact CG-CE1 4.45Å; F227-F281 AromaticContact CZ-CD1 3.95Å; F227-F281 HydrophobicContact CZ-CD1 3.95Å; F227-V283 WeakPolarHBondContact CE1-O 3.49Å; F227-E286 HydrophobicContact CZ-CB 4.27Å; F227-L287 HydrophobicContact CB-CD2 4.21Å; F227-L287 HydrophobicContact CD1-CB 4.19Å; F227-L287 HydrophobicContact CD2-CB 4.02Å; F227-L287 HydrophobicContact CD2-CD1 3.64Å; F227-L287 HydrophobicContact CD2-CG 4.26Å; F227-L287 HydrophobicContact CE1-CB 4.14Å; F227-L287 HydrophobicContact CE2-CB 3.97Å; F227-L287 HydrophobicContact CE2-CD1 4.04Å; F227-L287 HydrophobicContact CG-CB 4.13Å; F227-L287 HydrophobicContact CG-CD1 4.22Å; F227-L287 HydrophobicContact CG-CD2 4.29Å; F227-L287 HydrophobicContact CG-CG 4.44Å; F227-L287 HydrophobicContact CZ-CB 4.03Å |
| 228 | K | 89.9 | Confident | 88.6 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.6 | -172.9 | 66.6 | -164.9 | 167.4 | 0 | 112.5 | L157 L164 Q224 V225 I226 H230 E231 L232 | L157-K228 HydrophobicContact CB-CG 4.34Å; L157-K228 HydrophobicContact CD2-CB 3.95Å; L157-K228 HydrophobicContact CD2-CG 4.28Å; L164-K228 HydrophobicContact CD1-CG 4.12Å; Q224-K228 PolarHBondContact O-N 2.93Å; Q224-K228 VanDerWaalsContact O-N 3.16Å; V225-K228 PolarHBondContact O-N 2.98Å; I226-K228 VanDerWaalsContact C-N 3.3Å; I226-K228 PolarHBondContact O-N 3.48Å; K228-H230 VanDerWaalsContact C-N 3.34Å; K228-E231 IonicContact NZ-OE1 2.7Å; K228-E231 PolarHBondContact NZ-OE1 3.3Å; K228-E231 IonicContact NZ-OE2 2.67Å; K228-E231 PolarHBondContact NZ-OE2 3Å; K228-E231 WeakPolarHBondContact O-CB 3.49Å; K228-E231 PolarHBondContact O-N 2.95Å; K228-L232 HydrophobicContact CG-CD1 4.05Å; K228-L232 WeakPolarHBondContact O-CD1 3.5Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.29Å; K228-L232 PolarHBondContact O-N 3.11Å |
| 229 | L | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -36.2 | 176 | -74.5 | 172 | 0 | 0 | 0 | 112.5 | V161 L164 F165 V225 I226 E231 L232 L233 M238 | V161-L229 HydrophobicContact CG1-CD2 4.27Å; L164-L229 HydrophobicContact CB-CD2 3.65Å; L164-L229 HydrophobicContact CB-CG 4.25Å; F165-L229 HydrophobicContact CB-CD2 4.21Å; V225-L229 HydrophobicContact CG1-CD1 4.01Å; V225-L229 HydrophobicContact CG1-CG 4.38Å; V225-L229 WeakPolarHBondContact O-CG 3.43Å; V225-L229 PolarHBondContact O-N 2.7Å; I226-L229 PolarHBondContact O-N 3.07Å; L229-E231 VanDerWaalsContact C-N 3.31Å; L229-E231 PolarHBondContact O-N 3.19Å; L229-L232 PolarHBondContact O-N 3.16Å; L229-L232 VanDerWaalsContact O-N 3.1Å; L229-L233 HydrophobicContact CD2-CD1 3.98Å; L229-L233 WeakPolarHBondContact O-CB 3.42Å; L229-L233 PolarHBondContact O-N 3.04Å; L229-M238 HydrophobicContact CB-CE 3.54Å; L229-M238 HydrophobicContact CB-SD 3.85Å; L229-M238 HydrophobicContact CD1-CE 3.69Å; L229-M238 HydrophobicContact CD1-SD 4.42Å; L229-M238 HydrophobicContact CG-CE 4.27Å |
| 230 | H | 88.6 | Confident | 88 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 173.4 | -101.4 | -96.9 | 0 | 0 | 0 | 112.7 | I226 F227 K228 L232 G234 N235 M238 R242 F281 | I226-H230 PolarHBondContact O-N 3.22Å; F227-H230 WeakPolarHBondContact O-CB 3.47Å; F227-H230 PolarHBondContact O-N 3.31Å; K228-H230 VanDerWaalsContact C-N 3.34Å; H230-L232 VanDerWaalsContact C-N 3.26Å; H230-L232 PolarHBondContact O-N 2.87Å; H230-G234 PolarHBondContact O-N 3.36Å; H230-N235 PolarHBondContact ND1-OD1 3.44Å; H230-M238 WeakPolarHBondContact NE2-CB 3.42Å; H230-R242 PolarHBondContact CE1-NH1 2.83Å; H230-R242 PolarHBondContact NE2-NH1 2.99Å; H230-F281 PolarHBondContact ND1-O 3.01Å |
| 231 | E | 86.8 | Confident | 88.1 | Confident | 108 Ų | 108 | 36.6 Ų | 36.6 | 51% | 0.505 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62 | -33.3 | 172.8 | -168.5 | -166 | 140.9 | 0 | 0 | 112.1 | F227 K228 L229 | F227-E231 PolarHBondContact O-N 3.3Å; K228-E231 IonicContact NZ-OE1 2.7Å; K228-E231 PolarHBondContact NZ-OE1 3.3Å; K228-E231 IonicContact NZ-OE2 2.67Å; K228-E231 PolarHBondContact NZ-OE2 3Å; K228-E231 WeakPolarHBondContact O-CB 3.49Å; K228-E231 PolarHBondContact O-N 2.95Å; L229-E231 VanDerWaalsContact C-N 3.31Å; L229-E231 PolarHBondContact O-N 3.19Å |
| 232 | L | 88.6 | Confident | 88 | Confident | 76 Ų | 76 | 38.9 Ų | 38.9 | 40% | 0.398 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -96.7 | -36.6 | -170.4 | -64.7 | 168.2 | 0 | 0 | 0 | 114.7 | V161 L164 K228 L229 H230 | V161-L232 HydrophobicContact CG1-CB 4.16Å; V161-L232 HydrophobicContact CG2-CB 4.3Å; V161-L232 HydrophobicContact CG2-CD1 4.17Å; L164-L232 HydrophobicContact CD1-CD1 3.97Å; K228-L232 HydrophobicContact CG-CD1 4.05Å; K228-L232 WeakPolarHBondContact O-CD1 3.5Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.29Å; K228-L232 PolarHBondContact O-N 3.11Å; L229-L232 PolarHBondContact O-N 3.16Å; L229-L232 VanDerWaalsContact O-N 3.1Å; H230-L232 VanDerWaalsContact C-N 3.26Å; H230-L232 PolarHBondContact O-N 2.87Å |
| 233 | L | 85.8 | Confident | 88 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 29% | 0.293 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -110.7 | -6.1 | -168.9 | -69.9 | 174.3 | 0 | 0 | 0 | 114.8 | V161 F165 L229 T237 M238 | V161-L233 HydrophobicContact CG1-CD1 3.76Å; V161-L233 HydrophobicContact CG1-CD2 3.44Å; V161-L233 VanDerWaalsContact CG1-CD2 3.44Å; V161-L233 HydrophobicContact CG1-CG 3.46Å; V161-L233 VanDerWaalsContact CG1-CG 3.46Å; F165-L233 HydrophobicContact CD2-CD1 3.74Å; F165-L233 HydrophobicContact CE2-CD1 4.39Å; L229-L233 HydrophobicContact CD2-CD1 3.98Å; L229-L233 WeakPolarHBondContact O-CB 3.42Å; L229-L233 PolarHBondContact O-N 3.04Å; L233-T237 HydrophobicContact CB-CG2 4.48Å; L233-T237 PolarHBondContact O-OG1 2.91Å; L233-T237 VanDerWaalsContact O-OG1 3.08Å; L233-M238 HydrophobicContact CB-CG 4.49Å; L233-M238 HydrophobicContact CD1-SD 4.01Å |
| 234 | G | 78.1 | Confident | 88.1 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | 72.2 | 170.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H230 G236 | H230-G234 PolarHBondContact O-N 3.36Å; G234-G236 PolarHBondContact O-N 3.13Å |
| 235 | N | 76.7 | Confident | 88.3 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.8 | -30 | -166 | -70.4 | -15.8 | 0 | 0 | 0 | 114.9 | H230 R242 | H230-N235 PolarHBondContact ND1-OD1 3.44Å; N235-R242 VanDerWaalsContact O-CZ 3.27Å; N235-R242 PolarHBondContact O-NH1 3.25Å; N235-R242 PolarHBondContact O-NH2 3.02Å |
| 236 | G | 80.1 | Confident | 88.4 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 62% | 0.619 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68.3 | -48.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G234 M238 S239 | G234-G236 PolarHBondContact O-N 3.13Å; G236-M238 VanDerWaalsContact C-N 3.28Å; G236-M238 PolarHBondContact O-N 3.33Å; G236-S239 WeakPolarHBondContact O-CB 3.28Å; G236-S239 PolarHBondContact O-N 3.46Å; G236-S239 PolarHBondContact O-OG 3.24Å |
| 237 | T | 84.1 | Confident | 88.5 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.8 | -32.9 | -175.9 | -39.9 | 0 | 0 | 0 | 0 | 112.8 | L233 S239 | L233-T237 HydrophobicContact CB-CG2 4.48Å; L233-T237 PolarHBondContact O-OG1 2.91Å; L233-T237 VanDerWaalsContact O-OG1 3.08Å; T237-S239 VanDerWaalsContact C-N 3.32Å; T237-S239 PolarHBondContact O-N 3.18Å |
| 238 | M | 87.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 7.9 | -177.1 | -62.8 | -54.4 | -65.6 | 0 | 0 | 114.2 | F165 I226 L229 H230 L233 G236 G240 H241 R242 | F165-M238 HydrophobicContact CD2-SD 4.27Å; F165-M238 HydrophobicContact CE2-SD 4.23Å; I226-M238 HydrophobicContact CG2-CE 4.37Å; L229-M238 HydrophobicContact CB-CE 3.54Å; L229-M238 HydrophobicContact CB-SD 3.85Å; L229-M238 HydrophobicContact CD1-CE 3.69Å; L229-M238 HydrophobicContact CD1-SD 4.42Å; L229-M238 HydrophobicContact CG-CE 4.27Å; H230-M238 WeakPolarHBondContact NE2-CB 3.42Å; L233-M238 HydrophobicContact CB-CG 4.49Å; L233-M238 HydrophobicContact CD1-SD 4.01Å; G236-M238 VanDerWaalsContact C-N 3.28Å; G236-M238 PolarHBondContact O-N 3.33Å; M238-G240 PolarHBondContact O-N 3.46Å; M238-H241 HydrophobicContact CE-CB 3.62Å; M238-H241 VanDerWaalsContact CE-CG 3.49Å; M238-H241 PolarHBondContact O-N 2.87Å; M238-R242 VanDerWaalsContact C-NH1 3.27Å; M238-R242 WeakPolarHBondContact O-CG 3.31Å; M238-R242 PolarHBondContact O-N 2.92Å; M238-R242 VanDerWaalsContact O-N 3.07Å; M238-R242 PolarHBondContact O-NH1 2.98Å |
| 239 | S | 86.6 | Confident | 88.9 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.3 | -51.9 | -178.2 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | G236 T237 H241 R242 E243 | G236-S239 WeakPolarHBondContact O-CB 3.28Å; G236-S239 PolarHBondContact O-N 3.46Å; G236-S239 PolarHBondContact O-OG 3.24Å; T237-S239 VanDerWaalsContact C-N 3.32Å; T237-S239 PolarHBondContact O-N 3.18Å; S239-H241 VanDerWaalsContact C-N 3.3Å; S239-H241 PolarHBondContact O-N 2.95Å; S239-R242 PolarHBondContact O-N 2.79Å; S239-E243 PolarHBondContact O-N 3.16Å; S239-E243 VanDerWaalsContact O-N 3.14Å |
| 240 | G | 89.2 | Confident | 89 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -31.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M238 R244 | M238-G240 PolarHBondContact O-N 3.46Å; G240-R244 WeakPolarHBondContact O-CB 3.43Å; G240-R244 PolarHBondContact O-N 3.09Å |
| 241 | H | 92.4 | Very high | 89.2 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 7% | 0.069 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 174.8 | -75.6 | 66.5 | 0 | 0 | 0 | 111.7 | F165 M172 M238 S239 F245 | F165-H241 AromaticContact CD2-CE1 3.93Å; F165-H241 AromaticContact CE1-CE1 3.87Å; F165-H241 AromaticContact CE2-CE1 3.29Å; F165-H241 WeakPolarHBondContact CE2-CE1 3.46Å; F165-H241 AromaticContact CE2-ND1 3.92Å; F165-H241 AromaticContact CE2-NE2 4Å; F165-H241 AromaticContact CZ-CE1 3.28Å; F165-H241 WeakPolarHBondContact CZ-CE1 3.27Å; M172-H241 VanDerWaalsContact CE-CD2 3.47Å; M172-H241 WeakPolarHBondContact CE-CD2 3.34Å; M238-H241 HydrophobicContact CE-CB 3.62Å; M238-H241 VanDerWaalsContact CE-CG 3.49Å; M238-H241 PolarHBondContact O-N 2.87Å; S239-H241 VanDerWaalsContact C-N 3.3Å; S239-H241 PolarHBondContact O-N 2.95Å; H241-F245 WeakPolarHBondContact O-CB 3.4Å; H241-F245 PolarHBondContact O-N 3.45Å |
| 242 | R | 91.4 | Very high | 89.5 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 22% | 0.223 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 177 | -69.4 | -169.7 | -64.5 | -83.2 | 6.5 | 112.3 | H230 N235 M238 S239 R246 F281 | H230-R242 PolarHBondContact CE1-NH1 2.83Å; H230-R242 PolarHBondContact NE2-NH1 2.99Å; N235-R242 VanDerWaalsContact O-CZ 3.27Å; N235-R242 PolarHBondContact O-NH1 3.25Å; N235-R242 PolarHBondContact O-NH2 3.02Å; M238-R242 VanDerWaalsContact C-NH1 3.27Å; M238-R242 WeakPolarHBondContact O-CG 3.31Å; M238-R242 PolarHBondContact O-N 2.92Å; M238-R242 VanDerWaalsContact O-N 3.07Å; M238-R242 PolarHBondContact O-NH1 2.98Å; S239-R242 PolarHBondContact O-N 2.79Å; R242-R246 WeakPolarHBondContact O-CB 3.44Å; R242-R246 PolarHBondContact O-N 3.04Å; R242-F281 HydrophobicContact CG-CD2 4.13Å |
| 243 | E | 92.4 | Very high | 89.6 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.9 | -52.6 | 176.8 | -175.6 | 172 | -162.7 | 0 | 0 | 110.7 | S239 F245 R246 D247 | S239-E243 PolarHBondContact O-N 3.16Å; S239-E243 VanDerWaalsContact O-N 3.14Å; E243-F245 VanDerWaalsContact C-N 3.33Å; E243-F245 PolarHBondContact O-N 2.92Å; E243-R246 VanDerWaalsContact O-CB 3.3Å; E243-R246 WeakPolarHBondContact O-CB 3.27Å; E243-R246 PolarHBondContact O-N 3.36Å; E243-D247 PolarHBondContact O-N 3.49Å |
| 244 | R | 95.1 | Very high | 89.8 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 177.1 | -170.7 | 177.1 | -177.3 | -164.1 | 1.7 | 112.7 | M172 D173 E176 G240 R246 D247 L248 | M172-R244 HydrophobicContact SD-CB 4.3Å; M172-R244 HydrophobicContact SD-CG 4.08Å; D173-R244 IonicContact OD1-CZ 3.45Å; D173-R244 IonicContact OD1-NH1 3.19Å; D173-R244 PolarHBondContact OD1-NH1 2.78Å; D173-R244 IonicContact OD1-NH2 3.65Å; D173-R244 PolarHBondContact OD1-NH2 3.38Å; E176-R244 IonicContact OE1-CZ 3.67Å; E176-R244 VanDerWaalsContact OE1-CZ 3.24Å; E176-R244 IonicContact OE1-NE 3.24Å; E176-R244 PolarHBondContact OE1-NE 3.39Å; E176-R244 IonicContact OE1-NH2 3.78Å; E176-R244 PolarHBondContact OE1-NH2 3.09Å; E176-R244 IonicContact OE2-CZ 2.87Å; E176-R244 IonicContact OE2-NE 2.8Å; E176-R244 IonicContact OE2-NH2 2.67Å; E176-R244 PolarHBondContact OE2-NH2 3.49Å; G240-R244 WeakPolarHBondContact O-CB 3.43Å; G240-R244 PolarHBondContact O-N 3.09Å; R244-R246 VanDerWaalsContact C-N 3.31Å; R244-R246 PolarHBondContact O-N 3.26Å; R244-D247 PolarHBondContact O-N 2.97Å; R244-L248 HydrophobicContact CG-CD1 4.39Å; R244-L248 WeakPolarHBondContact O-CG 3.41Å; R244-L248 PolarHBondContact O-N 2.74Å; R244-L248 VanDerWaalsContact O-N 3.09Å |
| 245 | F | 95 | Very high | 90.5 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -33.2 | 177.3 | -171.6 | -86.6 | 0 | 0 | 0 | 112.4 | M172 Y219 V223 I226 H241 E243 L248 H249 F281 | M172-F245 HydrophobicContact SD-CB 4.48Å; Y219-F245 HydrophobicContact CD2-CE2 4.26Å; Y219-F245 AromaticContact CD2-CZ 3.87Å; Y219-F245 HydrophobicContact CD2-CZ 3.87Å; Y219-F245 HydrophobicContact CE1-CZ 4.32Å; Y219-F245 AromaticContact CE2-CE1 3.9Å; Y219-F245 HydrophobicContact CE2-CE1 3.9Å; Y219-F245 HydrophobicContact CE2-CE2 4.16Å; Y219-F245 AromaticContact CE2-CZ 3.34Å; Y219-F245 HydrophobicContact CE2-CZ 3.34Å; Y219-F245 AromaticContact CZ-CZ 3.61Å; V223-F245 HydrophobicContact CG2-CE1 4.23Å; V223-F245 HydrophobicContact CG2-CE2 3.9Å; V223-F245 HydrophobicContact CG2-CZ 3.35Å; I226-F245 HydrophobicContact CD1-CB 4.02Å; I226-F245 HydrophobicContact CD1-CD2 3.47Å; I226-F245 VanDerWaalsContact CD1-CD2 3.47Å; I226-F245 HydrophobicContact CD1-CE2 4.22Å; I226-F245 HydrophobicContact CD1-CG 3.91Å; H241-F245 WeakPolarHBondContact O-CB 3.4Å; H241-F245 PolarHBondContact O-N 3.45Å; E243-F245 VanDerWaalsContact C-N 3.33Å; E243-F245 PolarHBondContact O-N 2.92Å; F245-L248 PolarHBondContact O-N 2.83Å; F245-H249 HydrophobicContact CE1-CB 4.26Å; F245-H249 WeakPolarHBondContact O-CB 3.3Å; F245-H249 PolarHBondContact O-N 3.28Å; F245-F281 HydrophobicContact CB-CE2 4.22Å; F245-F281 AromaticContact CD1-CE2 3.48Å; F245-F281 HydrophobicContact CD1-CE2 3.48Å; F245-F281 VanDerWaalsContact CD1-CE2 3.48Å; F245-F281 AromaticContact CD1-CZ 3.56Å; F245-F281 HydrophobicContact CD1-CZ 3.56Å; F245-F281 HydrophobicContact CD2-CZ 4.22Å; F245-F281 HydrophobicContact CE1-CE2 4.01Å; F245-F281 AromaticContact CE1-CZ 3.66Å; F245-F281 HydrophobicContact CE1-CZ 3.66Å; F245-F281 HydrophobicContact CE2-CZ 4.29Å; F245-F281 AromaticContact CG-CE2 3.83Å; F245-F281 HydrophobicContact CG-CE2 3.83Å; F245-F281 AromaticContact CG-CZ 3.87Å; F245-F281 HydrophobicContact CG-CZ 3.87Å; F245-F281 HydrophobicContact CZ-CZ 4.03Å |
| 246 | R | 93 | Very high | 91.2 | Very high | 139 Ų | 139 | 50.1 Ų | 50.1 | 53% | 0.525 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.2 | -180 | -174.8 | -61.6 | 161.3 | 0.3 | 111.3 | R242 E243 R244 H249 I250 P278 | R242-R246 WeakPolarHBondContact O-CB 3.44Å; R242-R246 PolarHBondContact O-N 3.04Å; E243-R246 VanDerWaalsContact O-CB 3.3Å; E243-R246 WeakPolarHBondContact O-CB 3.27Å; E243-R246 PolarHBondContact O-N 3.36Å; R244-R246 VanDerWaalsContact C-N 3.31Å; R244-R246 PolarHBondContact O-N 3.26Å; R246-H249 PolarHBondContact O-N 3.29Å; R246-I250 HydrophobicContact CG-CD1 4.39Å; R246-I250 WeakPolarHBondContact O-CG1 3.41Å; R246-I250 PolarHBondContact O-N 2.97Å; R246-I250 VanDerWaalsContact O-N 3.09Å; R246-P278 HydrophobicContact CG-CG 4.33Å |
| 247 | D | 94.7 | Very high | 91.6 | Very high | 89 Ų | 89 | 51.6 Ų | 51.6 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 178.3 | -63.7 | -22.6 | 0 | 0 | 0 | 111.5 | E243 R244 I250 S251 | E243-D247 PolarHBondContact O-N 3.49Å; R244-D247 PolarHBondContact O-N 2.97Å; D247-I250 PolarHBondContact O-N 3.11Å; D247-S251 WeakPolarHBondContact O-CB 3.5Å; D247-S251 PolarHBondContact O-N 3.38Å; D247-S251 PolarHBondContact O-OG 3.46Å |
| 248 | L | 95 | Very high | 91.6 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 171.8 | -79.6 | 170 | 0 | 0 | 0 | 111.9 | M172 L175 E176 L179 R244 F245 I250 S251 V252 | M172-L248 HydrophobicContact CB-CD1 3.7Å; M172-L248 HydrophobicContact CG-CD1 3.68Å; M172-L248 HydrophobicContact SD-CD1 4.14Å; L175-L248 HydrophobicContact CB-CD2 4.34Å; L175-L248 HydrophobicContact CD2-CB 4.28Å; L175-L248 HydrophobicContact CD2-CD1 4.24Å; L175-L248 HydrophobicContact CD2-CD2 3.97Å; L175-L248 HydrophobicContact CD2-CG 4.4Å; L175-L248 HydrophobicContact CG-CD2 3.88Å; E176-L248 HydrophobicContact CB-CD2 4.5Å; E176-L248 HydrophobicContact CG-CD1 4.43Å; E176-L248 HydrophobicContact CG-CD2 3.49Å; E176-L248 VanDerWaalsContact CG-CD2 3.49Å; E176-L248 HydrophobicContact CG-CG 4.26Å; L179-L248 HydrophobicContact CD1-CD2 3.76Å; R244-L248 HydrophobicContact CG-CD1 4.39Å; R244-L248 WeakPolarHBondContact O-CG 3.41Å; R244-L248 PolarHBondContact O-N 2.74Å; R244-L248 VanDerWaalsContact O-N 3.09Å; F245-L248 PolarHBondContact O-N 2.83Å; L248-I250 PolarHBondContact O-N 3.04Å; L248-S251 PolarHBondContact O-N 3.22Å; L248-S251 VanDerWaalsContact O-N 3.14Å; L248-V252 VanDerWaalsContact O-CG2 3.3Å; L248-V252 WeakPolarHBondContact O-CG2 3.26Å; L248-V252 PolarHBondContact O-N 2.97Å |
| 249 | H | 94 | Very high | 91.5 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 177.8 | 174.3 | 87.1 | 0 | 0 | 0 | 111.8 | Y219 F245 R246 S251 K253 S275 N277 P278 | Y219-H249 HydrophobicContact CE2-CB 4.18Å; Y219-H249 AromaticContact CE2-ND1 3.76Å; Y219-H249 AromaticContact CZ-ND1 3.66Å; Y219-H249 PolarHBondContact OH-ND1 3.49Å; F245-H249 HydrophobicContact CE1-CB 4.26Å; F245-H249 WeakPolarHBondContact O-CB 3.3Å; F245-H249 PolarHBondContact O-N 3.28Å; R246-H249 PolarHBondContact O-N 3.29Å; H249-S251 VanDerWaalsContact C-N 3.3Å; H249-S251 PolarHBondContact O-N 2.92Å; H249-K253 VanDerWaalsContact O-CB 3.26Å; H249-K253 WeakPolarHBondContact O-CB 3.38Å; H249-K253 PolarHBondContact O-N 3.32Å; H249-S275 PolarHBondContact CE1-O 3.43Å; H249-S275 PolarHBondContact NE2-O 2.61Å; H249-N277 VanDerWaalsContact NE2-C 3.35Å; H249-P278 HydrophobicContact CB-CB 4Å |
| 250 | I | 92.9 | Very high | 91.3 | Very high | 71 Ų | 71 | 50.3 Ų | 50.3 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.4 | -65.7 | 165.4 | 0 | 0 | 0 | 110.5 | R246 D247 L248 K253 K254 | R246-I250 HydrophobicContact CG-CD1 4.39Å; R246-I250 WeakPolarHBondContact O-CG1 3.41Å; R246-I250 PolarHBondContact O-N 2.97Å; R246-I250 VanDerWaalsContact O-N 3.09Å; D247-I250 PolarHBondContact O-N 3.11Å; L248-I250 PolarHBondContact O-N 3.04Å; I250-K253 PolarHBondContact O-N 3.4Å; I250-K254 HydrophobicContact CG2-CD 4.34Å; I250-K254 WeakPolarHBondContact O-CG 3.5Å; I250-K254 PolarHBondContact O-N 3.11Å |
| 251 | S | 93.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 56 Ų | 56 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | -177.6 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | D247 L248 H249 F255 | D247-S251 WeakPolarHBondContact O-CB 3.5Å; D247-S251 PolarHBondContact O-N 3.38Å; D247-S251 PolarHBondContact O-OG 3.46Å; L248-S251 PolarHBondContact O-N 3.22Å; L248-S251 VanDerWaalsContact O-N 3.14Å; H249-S251 VanDerWaalsContact C-N 3.3Å; H249-S251 PolarHBondContact O-N 2.92Å; S251-F255 WeakPolarHBondContact O-CB 3.15Å; S251-F255 PolarHBondContact O-N 3.46Å |
| 252 | V | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | L175 L179 Y219 L248 F255 F256 I274 | L175-V252 HydrophobicContact CD1-CG2 3.96Å; L175-V252 HydrophobicContact CD2-CG2 4.05Å; L175-V252 HydrophobicContact CG-CG2 4.28Å; L179-V252 HydrophobicContact CD1-CG2 3.97Å; L179-V252 HydrophobicContact CD2-CG2 4.19Å; Y219-V252 HydrophobicContact CD2-CG2 4.33Å; L248-V252 VanDerWaalsContact O-CG2 3.3Å; L248-V252 WeakPolarHBondContact O-CG2 3.26Å; L248-V252 PolarHBondContact O-N 2.97Å; V252-F255 WeakPolarHBondContact O-CB 3.35Å; V252-F255 PolarHBondContact O-N 2.96Å; V252-F256 HydrophobicContact CG1-CD1 4.21Å; V252-F256 HydrophobicContact CG1-CE1 4Å; V252-F256 HydrophobicContact CG1-CE2 4.47Å; V252-F256 HydrophobicContact CG1-CZ 4.13Å; V252-F256 PolarHBondContact O-N 2.96Å; V252-I274 HydrophobicContact CB-CD1 4.38Å; V252-I274 HydrophobicContact CG1-CD1 3.57Å |
| 253 | K | 90.7 | Very high | 89.6 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58 | -52 | 175.3 | -178 | -178.8 | 176.5 | -172.3 | 0 | 111.6 | H249 I250 F255 F256 E257 Q276 | H249-K253 VanDerWaalsContact O-CB 3.26Å; H249-K253 WeakPolarHBondContact O-CB 3.38Å; H249-K253 PolarHBondContact O-N 3.32Å; I250-K253 PolarHBondContact O-N 3.4Å; K253-F255 VanDerWaalsContact C-N 3.27Å; K253-F255 PolarHBondContact O-N 2.94Å; K253-F256 PolarHBondContact O-N 2.85Å; K253-E257 WeakPolarHBondContact CE-OE1 3.3Å; K253-E257 HydrophobicContact CG-CG 4.48Å; K253-E257 WeakPolarHBondContact O-CB 3.47Å; K253-E257 WeakPolarHBondContact O-CG 3.13Å; K253-E257 PolarHBondContact O-N 2.92Å; K253-Q276 PolarHBondContact NZ-O 3.18Å |
| 254 | K | 90.5 | Very high | 89.2 | Confident | 136 Ų | 136 | 55.6 Ų | 55.6 | 59% | 0.591 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -57.6 | -40.2 | 175.2 | -75.4 | 179.2 | 179.3 | -179.7 | 0 | 112.1 | I250 N258 | I250-K254 HydrophobicContact CG2-CD 4.34Å; I250-K254 WeakPolarHBondContact O-CG 3.5Å; I250-K254 PolarHBondContact O-N 3.11Å; K254-N258 VanDerWaalsContact O-CB 3.26Å; K254-N258 WeakPolarHBondContact O-CB 3.26Å; K254-N258 PolarHBondContact O-N 3.24Å |
| 255 | F | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 176.5 | 173.8 | -147 | 0 | 0 | 0 | 111.6 | L179 K182 I212 A215 S251 V252 K253 N258 V259 | L179-F255 HydrophobicContact CD2-CB 4.05Å; L179-F255 HydrophobicContact CD2-CD1 3.82Å; L179-F255 HydrophobicContact CD2-CG 4.23Å; K182-F255 HydrophobicContact CB-CE2 4.24Å; K182-F255 HydrophobicContact CB-CZ 4.31Å; K182-F255 HydrophobicContact CD-CB 4.15Å; K182-F255 HydrophobicContact CD-CD1 4.42Å; K182-F255 HydrophobicContact CD-CD2 3.49Å; K182-F255 VanDerWaalsContact CD-CD2 3.49Å; K182-F255 HydrophobicContact CD-CE2 3.91Å; K182-F255 HydrophobicContact CD-CG 3.77Å; K182-F255 HydrophobicContact CG-CD2 3.59Å; K182-F255 HydrophobicContact CG-CE2 3.45Å; K182-F255 VanDerWaalsContact CG-CE2 3.45Å; K182-F255 HydrophobicContact CG-CG 4.26Å; K182-F255 HydrophobicContact CG-CZ 4.01Å; I212-F255 HydrophobicContact CB-CZ 4.45Å; I212-F255 HydrophobicContact CG1-CE1 4.09Å; I212-F255 HydrophobicContact CG1-CE2 4.14Å; I212-F255 HydrophobicContact CG1-CZ 3.52Å; A215-F255 HydrophobicContact CB-CD1 4.45Å; A215-F255 HydrophobicContact CB-CE1 4.17Å; S251-F255 WeakPolarHBondContact O-CB 3.15Å; S251-F255 PolarHBondContact O-N 3.46Å; V252-F255 WeakPolarHBondContact O-CB 3.35Å; V252-F255 PolarHBondContact O-N 2.96Å; K253-F255 VanDerWaalsContact C-N 3.27Å; K253-F255 PolarHBondContact O-N 2.94Å; F255-N258 PolarHBondContact O-N 3.13Å; F255-V259 HydrophobicContact CD2-CG2 3.54Å; F255-V259 HydrophobicContact CE2-CG2 3.29Å; F255-V259 HydrophobicContact CZ-CG2 4.31Å; F255-V259 VanDerWaalsContact O-CG2 3.31Å; F255-V259 WeakPolarHBondContact O-CG2 3.39Å; F255-V259 PolarHBondContact O-N 3.49Å |
| 256 | F | 90.8 | Very high | 88 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.3 | -38 | -177.4 | -78.2 | 21.3 | 0 | 0 | 0 | 111.8 | I212 A215 A216 V252 K253 S260 I271 I274 | I212-F256 HydrophobicContact CG2-CE1 4.2Å; I212-F256 HydrophobicContact CG2-CZ 4.38Å; A215-F256 HydrophobicContact CB-CE1 4.23Å; A216-F256 HydrophobicContact CB-CE2 4.37Å; A216-F256 HydrophobicContact CB-CZ 3.97Å; V252-F256 HydrophobicContact CG1-CD1 4.21Å; V252-F256 HydrophobicContact CG1-CE1 4Å; V252-F256 HydrophobicContact CG1-CE2 4.47Å; V252-F256 HydrophobicContact CG1-CZ 4.13Å; V252-F256 PolarHBondContact O-N 2.96Å; K253-F256 PolarHBondContact O-N 2.85Å; F256-S260 WeakPolarHBondContact O-CB 3.45Å; F256-S260 PolarHBondContact O-N 3.01Å; F256-S260 PolarHBondContact O-OG 3.42Å; F256-I271 HydrophobicContact CB-CG2 3.83Å; F256-I271 HydrophobicContact CD2-CG2 3.67Å; F256-I271 HydrophobicContact CE2-CG2 4.41Å; F256-I271 HydrophobicContact CG-CG2 3.79Å; F256-I274 HydrophobicContact CB-CD1 4.09Å; F256-I274 HydrophobicContact CD2-CD1 3.41Å; F256-I274 VanDerWaalsContact CD2-CD1 3.41Å; F256-I274 HydrophobicContact CD2-CG1 3.91Å; F256-I274 HydrophobicContact CE2-CD1 3.92Å; F256-I274 HydrophobicContact CE2-CG1 4.44Å; F256-I274 HydrophobicContact CG-CD1 3.81Å |
| 257 | E | 88.1 | Confident | 87.3 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 172.1 | -74.2 | 172.7 | 174.7 | 0 | 0 | 111 | K253 V259 S260 H261 | K253-E257 WeakPolarHBondContact CE-OE1 3.3Å; K253-E257 HydrophobicContact CG-CG 4.48Å; K253-E257 WeakPolarHBondContact O-CB 3.47Å; K253-E257 WeakPolarHBondContact O-CG 3.13Å; K253-E257 PolarHBondContact O-N 2.92Å; E257-V259 PolarHBondContact O-N 3.21Å; E257-S260 PolarHBondContact O-N 2.9Å; E257-S260 PolarHBondContact O-OG 3.26Å; E257-H261 PolarHBondContact O-CD2 3.25Å; E257-H261 PolarHBondContact O-N 3.46Å |
| 258 | N | 85.9 | Confident | 86.6 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 179.8 | -170.1 | 14.8 | 0 | 0 | 0 | 112.1 | K254 F255 S260 H261 | K254-N258 VanDerWaalsContact O-CB 3.26Å; K254-N258 WeakPolarHBondContact O-CB 3.26Å; K254-N258 PolarHBondContact O-N 3.24Å; F255-N258 PolarHBondContact O-N 3.13Å; N258-S260 VanDerWaalsContact C-N 3.35Å; N258-S260 PolarHBondContact O-N 2.98Å; N258-H261 PolarHBondContact O-N 3.21Å |
| 259 | V | 84.7 | Confident | 86 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.5 | -33.7 | 179.4 | 175 | 0 | 0 | 0 | 0 | 111.9 | I212 F255 E257 H261 M262 F265 I271 | I212-V259 HydrophobicContact CD1-CB 4.46Å; I212-V259 HydrophobicContact CD1-CG1 3.38Å; I212-V259 HydrophobicContact CD1-CG2 4.42Å; I212-V259 HydrophobicContact CG1-CG1 4.13Å; F255-V259 HydrophobicContact CD2-CG2 3.54Å; F255-V259 HydrophobicContact CE2-CG2 3.29Å; F255-V259 HydrophobicContact CZ-CG2 4.31Å; F255-V259 VanDerWaalsContact O-CG2 3.31Å; F255-V259 WeakPolarHBondContact O-CG2 3.39Å; F255-V259 PolarHBondContact O-N 3.49Å; E257-V259 PolarHBondContact O-N 3.21Å; V259-H261 PolarHBondContact O-N 2.92Å; V259-M262 PolarHBondContact O-N 3.46Å; V259-M262 VanDerWaalsContact O-N 3.09Å; V259-F265 HydrophobicContact CB-CD2 4.28Å; V259-F265 HydrophobicContact CG1-CB 3.5Å; V259-F265 VanDerWaalsContact CG1-CB 3.5Å; V259-F265 HydrophobicContact CG1-CD1 4.09Å; V259-F265 HydrophobicContact CG1-CD2 3.42Å; V259-F265 VanDerWaalsContact CG1-CD2 3.42Å; V259-F265 HydrophobicContact CG1-CE2 4.11Å; V259-F265 HydrophobicContact CG1-CG 3.39Å; V259-F265 HydrophobicContact CG2-CD2 4.44Å; V259-F265 HydrophobicContact CG2-CE2 4.42Å; V259-I271 HydrophobicContact CB-CD1 3.98Å; V259-I271 HydrophobicContact CG1-CD1 3.3Å |
| 260 | S | 82.5 | Confident | 85.3 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -27.5 | 178.2 | 76.3 | 0 | 0 | 0 | 0 | 113.3 | F256 E257 N258 M262 | F256-S260 WeakPolarHBondContact O-CB 3.45Å; F256-S260 PolarHBondContact O-N 3.01Å; F256-S260 PolarHBondContact O-OG 3.42Å; E257-S260 PolarHBondContact O-N 2.9Å; E257-S260 PolarHBondContact O-OG 3.26Å; N258-S260 VanDerWaalsContact C-N 3.35Å; N258-S260 PolarHBondContact O-N 2.98Å; S260-M262 VanDerWaalsContact C-N 3.35Å |
| 261 | H | 80.6 | Confident | 84.6 | Confident | 157 Ų | 157 | 61.1 Ų | 61.1 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -77.6 | -19.6 | 175.6 | -64.2 | 174.3 | 0 | 0 | 0 | 112.9 | E257 N258 V259 | E257-H261 PolarHBondContact O-CD2 3.25Å; E257-H261 PolarHBondContact O-N 3.46Å; N258-H261 PolarHBondContact O-N 3.21Å; V259-H261 PolarHBondContact O-N 2.92Å |
| 262 | M | 81 | Confident | 83.5 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 20% | 0.202 | 29% | 0.288 | C | S | . | . | trans | -87.8 | 116.8 | -178.4 | -65.3 | -173.4 | 87.9 | 0 | 0 | 111.4 | L205 V259 S260 Y264 F265 | L205-M262 HydrophobicContact CD1-CE 4.2Å; V259-M262 PolarHBondContact O-N 3.46Å; V259-M262 VanDerWaalsContact O-N 3.09Å; S260-M262 VanDerWaalsContact C-N 3.35Å; M262-Y264 PolarHBondContact O-N 2.93Å; M262-Y264 VanDerWaalsContact O-N 3.15Å; M262-F265 HydrophobicContact CB-CD2 3.83Å; M262-F265 HydrophobicContact CB-CE2 4.37Å; M262-F265 PolarHBondContact O-N 3.39Å; M262-F265 HydrophobicContact SD-CD2 4.15Å; M262-F265 HydrophobicContact SD-CE2 3.76Å | ||
| 263 | Q | 76.7 | Confident | 82.5 | Confident | 136 Ų | 136 | 65.4 Ų | 65.4 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.2 | -33.7 | -177.5 | -69.3 | -175.8 | -14.6 | 0 | 0 | 114 | F265 R266 S267 | Q263-F265 PolarHBondContact O-N 2.75Å; Q263-R266 PolarHBondContact O-N 3.08Å; Q263-S267 PolarHBondContact O-N 3.48Å |
| 264 | Y | 83.4 | Confident | 81.9 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56 | -52.7 | 180 | 175.9 | -106.5 | 0 | 0 | 0 | 112.1 | Q202 L205 I209 M262 R266 S267 F268 | Q202-Y264 HydrophobicContact CB-CD2 4.33Å; Q202-Y264 HydrophobicContact CB-CE2 3.68Å; Q202-Y264 HydrophobicContact CG-CD2 3.59Å; Q202-Y264 HydrophobicContact CG-CE2 3.44Å; Q202-Y264 VanDerWaalsContact CG-CE2 3.44Å; Q202-Y264 HydrophobicContact CG-CG 4.38Å; Q202-Y264 PolarHBondContact O-OH 2.88Å; L205-Y264 HydrophobicContact CB-CD1 4.29Å; L205-Y264 HydrophobicContact CB-CE1 3.99Å; L205-Y264 HydrophobicContact CD1-CD1 4.32Å; I209-Y264 HydrophobicContact CD1-CE1 4.3Å; M262-Y264 PolarHBondContact O-N 2.93Å; M262-Y264 VanDerWaalsContact O-N 3.15Å; Y264-R266 PolarHBondContact O-N 2.82Å; Y264-S267 PolarHBondContact O-N 3.49Å; Y264-S267 PolarHBondContact O-OG 3.14Å; Y264-F268 AromaticContact CD2-CE2 3.86Å; Y264-F268 HydrophobicContact CD2-CE2 3.86Å; Y264-F268 HydrophobicContact CE1-CD2 4.49Å; Y264-F268 HydrophobicContact CE1-CE2 4.23Å; Y264-F268 HydrophobicContact CE2-CD2 4.41Å; Y264-F268 AromaticContact CE2-CE2 3.45Å; Y264-F268 HydrophobicContact CE2-CE2 3.45Å; Y264-F268 VanDerWaalsContact CE2-CE2 3.45Å; Y264-F268 HydrophobicContact CE2-CZ 4.1Å; Y264-F268 HydrophobicContact CG-CE2 4.42Å; Y264-F268 AromaticContact CZ-CE2 3.65Å; Y264-F268 VanDerWaalsContact O-CD2 3.23Å; Y264-F268 WeakPolarHBondContact O-CD2 3.42Å |
| 265 | F | 85.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.1 | -35.8 | -177.1 | -65.3 | -70.7 | 0 | 0 | 0 | 112.8 | L205 L208 I209 I212 V259 M262 Q263 S267 F268 V269 | L205-F265 HydrophobicContact CB-CZ 4Å; L205-F265 HydrophobicContact CD2-CE2 4.24Å; L205-F265 HydrophobicContact CD2-CZ 3.93Å; L205-F265 HydrophobicContact CG-CZ 4.4Å; L208-F265 HydrophobicContact CB-CE1 3.83Å; L208-F265 HydrophobicContact CB-CZ 3.85Å; L208-F265 HydrophobicContact CD1-CZ 4.11Å; I209-F265 HydrophobicContact CG1-CD1 3.94Å; I209-F265 HydrophobicContact CG1-CE1 3.99Å; I212-F265 HydrophobicContact CD1-CD1 3.79Å; I212-F265 HydrophobicContact CD1-CE1 4.2Å; I212-F265 HydrophobicContact CD1-CG 4.27Å; V259-F265 HydrophobicContact CB-CD2 4.28Å; V259-F265 HydrophobicContact CG1-CB 3.5Å; V259-F265 VanDerWaalsContact CG1-CB 3.5Å; V259-F265 HydrophobicContact CG1-CD1 4.09Å; V259-F265 HydrophobicContact CG1-CD2 3.42Å; V259-F265 VanDerWaalsContact CG1-CD2 3.42Å; V259-F265 HydrophobicContact CG1-CE2 4.11Å; V259-F265 HydrophobicContact CG1-CG 3.39Å; V259-F265 HydrophobicContact CG2-CD2 4.44Å; V259-F265 HydrophobicContact CG2-CE2 4.42Å; M262-F265 HydrophobicContact CB-CD2 3.83Å; M262-F265 HydrophobicContact CB-CE2 4.37Å; M262-F265 PolarHBondContact O-N 3.39Å; M262-F265 HydrophobicContact SD-CD2 4.15Å; M262-F265 HydrophobicContact SD-CE2 3.76Å; Q263-F265 PolarHBondContact O-N 2.75Å; F265-S267 PolarHBondContact O-N 2.82Å; F265-S267 VanDerWaalsContact O-N 3.09Å; F265-F268 PolarHBondContact O-N 3.29Å; F265-V269 HydrophobicContact CB-CG2 4.29Å; F265-V269 VanDerWaalsContact O-CG2 3.3Å; F265-V269 WeakPolarHBondContact O-CG2 3.33Å; F265-V269 PolarHBondContact O-N 3.16Å |
| 266 | R | 78.5 | Confident | 80.5 | Confident | 182 Ų | 182 | 68.1 Ų | 68.1 | 69% | 0.687 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.7 | -25.5 | 177.6 | -163 | -179.1 | -174.5 | 118.5 | -1 | 113.1 | Q263 Y264 N298 | Q263-R266 PolarHBondContact O-N 3.08Å; Y264-R266 PolarHBondContact O-N 2.82Å; R266-N298 PolarHBondContact O-ND2 3.45Å |
| 267 | S | 77.7 | Confident | 79.9 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.1 | -25.8 | 176 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | Q263 Y264 F265 N298 | Q263-S267 PolarHBondContact O-N 3.48Å; Y264-S267 PolarHBondContact O-N 3.49Å; Y264-S267 PolarHBondContact O-OG 3.14Å; F265-S267 PolarHBondContact O-N 2.82Å; F265-S267 VanDerWaalsContact O-N 3.09Å; S267-N298 VanDerWaalsContact C-ND2 3.31Å; S267-N298 WeakPolarHBondContact O-CB 2.81Å; S267-N298 PolarHBondContact O-ND2 3.42Å |
| 268 | F | 81.1 | Confident | 79.7 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 32% | 0.316 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -102.7 | -37.3 | -177.2 | -62.5 | -78.7 | 0 | 0 | 0 | 113.3 | I209 Y264 F265 M297 N298 | I209-F268 HydrophobicContact CD1-CB 4.13Å; I209-F268 HydrophobicContact CD1-CD1 4.36Å; I209-F268 HydrophobicContact CD1-CD2 3.85Å; I209-F268 HydrophobicContact CD1-CE2 4.4Å; I209-F268 HydrophobicContact CD1-CG 3.84Å; Y264-F268 AromaticContact CD2-CE2 3.86Å; Y264-F268 HydrophobicContact CD2-CE2 3.86Å; Y264-F268 HydrophobicContact CE1-CD2 4.49Å; Y264-F268 HydrophobicContact CE1-CE2 4.23Å; Y264-F268 HydrophobicContact CE2-CD2 4.41Å; Y264-F268 AromaticContact CE2-CE2 3.45Å; Y264-F268 HydrophobicContact CE2-CE2 3.45Å; Y264-F268 VanDerWaalsContact CE2-CE2 3.45Å; Y264-F268 HydrophobicContact CE2-CZ 4.1Å; Y264-F268 HydrophobicContact CG-CE2 4.42Å; Y264-F268 AromaticContact CZ-CE2 3.65Å; Y264-F268 VanDerWaalsContact O-CD2 3.23Å; Y264-F268 WeakPolarHBondContact O-CD2 3.42Å; F265-F268 PolarHBondContact O-N 3.29Å; F268-M297 WeakPolarHBondContact O-CA 3.11Å; F268-M297 VanDerWaalsContact O-SD 3.37Å; F268-N298 PolarHBondContact O-N 3.42Å |
| 269 | V | 82.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140.8 | -172.6 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | I209 I212 F265 I271 V295 M297 | I209-V269 HydrophobicContact CG2-CG1 4.11Å; I212-V269 HydrophobicContact CD1-CG2 4.22Å; F265-V269 HydrophobicContact CB-CG2 4.29Å; F265-V269 VanDerWaalsContact O-CG2 3.3Å; F265-V269 WeakPolarHBondContact O-CG2 3.33Å; F265-V269 PolarHBondContact O-N 3.16Å; V269-I271 HydrophobicContact CG2-CD1 4.25Å; V269-I271 HydrophobicContact CG2-CG1 3.97Å; V269-V295 HydrophobicContact CB-CG1 3.73Å; V269-V295 HydrophobicContact CG1-CG1 3.8Å; V269-M297 HydrophobicContact CG1-SD 3.47Å; V269-M297 WeakPolarHBondContact CG1-SD 3.3Å |
| 270 | Q | 78.8 | Confident | 79.5 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.6 | 165.9 | -172.5 | 176.9 | 8.4 | 0 | 0 | 108.6 | P272 T296 | Q270-P272 WeakPolarHBondContact O-CD 3.26Å; Q270-T296 PolarHBondContact N-O 2.83Å; Q270-T296 PolarHBondContact OE1-OG1 2.84Å |
| 271 | I | 78.4 | Confident | 79.6 | Confident | 34 Ų | 34 | 70 Ų | 70 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 119 | -174.4 | -56.7 | 170.4 | 0 | 0 | 0 | 108.7 | I212 F256 V259 V269 | I212-I271 HydrophobicContact CG2-CG1 4.38Å; F256-I271 HydrophobicContact CB-CG2 3.83Å; F256-I271 HydrophobicContact CD2-CG2 3.67Å; F256-I271 HydrophobicContact CE2-CG2 4.41Å; F256-I271 HydrophobicContact CG-CG2 3.79Å; V259-I271 HydrophobicContact CB-CD1 3.98Å; V259-I271 HydrophobicContact CG1-CD1 3.3Å; V269-I271 HydrophobicContact CG2-CD1 4.25Å; V269-I271 HydrophobicContact CG2-CG1 3.97Å |
| 272 | P | 70.4 | Confident | 79.6 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 147.5 | 175.8 | -18.8 | 32.2 | 0 | 0 | 0 | 112.2 | Q270 L293 R294 | Q270-P272 WeakPolarHBondContact O-CD 3.26Å; P272-L293 HydrophobicContact CB-CD2 4Å; P272-R294 WeakPolarHBondContact CG-O 3.44Å |
| 273 | S | 73.3 | Confident | 79.4 | Confident | 111 Ų | 111 | 66 Ų | 66 | 78% | 0.776 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 124.8 | 169.4 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 274 | I | 77.4 | Confident | 79.1 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 11% | 0.108 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 145.5 | 174.8 | -62.6 | 169.8 | 0 | 0 | 0 | 109.3 | V252 F256 L293 | V252-I274 HydrophobicContact CB-CD1 4.38Å; V252-I274 HydrophobicContact CG1-CD1 3.57Å; F256-I274 HydrophobicContact CB-CD1 4.09Å; F256-I274 HydrophobicContact CD2-CD1 3.41Å; F256-I274 VanDerWaalsContact CD2-CD1 3.41Å; F256-I274 HydrophobicContact CD2-CG1 3.91Å; F256-I274 HydrophobicContact CE2-CD1 3.92Å; F256-I274 HydrophobicContact CE2-CG1 4.44Å; F256-I274 HydrophobicContact CG-CD1 3.81Å; I274-L293 HydrophobicContact CD1-CD1 4.19Å; I274-L293 HydrophobicContact CG1-CD1 3.82Å; I274-L293 HydrophobicContact CG1-CD2 3.75Å; I274-L293 HydrophobicContact CG1-CG 4.47Å |
| 275 | S | 78 | Confident | 78.4 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 43% | 0.434 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 151.5 | 174.1 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | H249 N277 | H249-S275 PolarHBondContact CE1-O 3.43Å; H249-S275 PolarHBondContact NE2-O 2.61Å; S275-N277 VanDerWaalsContact C-N 3.3Å; S275-N277 PolarHBondContact O-N 3.09Å; S275-N277 PolarHBondContact OG-O 2.95Å |
| 276 | Q | 74.7 | Confident | 77.8 | Confident | 159 Ų | 159 | 71 Ų | 71 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -66.1 | -35.4 | -179.3 | -74 | -172 | -2 | 0 | 0 | 113.1 | K253 | K253-Q276 PolarHBondContact NZ-O 3.18Š|
| 277 | N | 77.8 | Confident | 77.4 | Confident | 121 Ų | 121 | 64.7 Ų | 64.7 | 65% | 0.647 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -111.7 | 147 | -178.3 | -63.8 | -34.4 | 0 | 0 | 0 | 110.4 | H249 S275 | H249-N277 VanDerWaalsContact NE2-C 3.35Å; S275-N277 VanDerWaalsContact C-N 3.3Å; S275-N277 PolarHBondContact O-N 3.09Å; S275-N277 PolarHBondContact OG-O 2.95Å |
| 278 | P | 84.5 | Confident | 76.4 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 29% | 0.286 | 38% | 0.375 | S | S | . | . | trans | -65.2 | 151.3 | 172.6 | 28.3 | -34.7 | 0 | 0 | 0 | 110.7 | R246 H249 | R246-P278 HydrophobicContact CG-CG 4.33Å; H249-P278 HydrophobicContact CB-CB 4Å | ||
| 279 | P | 83.6 | Confident | 75.2 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 8% | 0.078 | 39% | 0.394 | C | S | . | . | trans | -60.3 | 137.2 | 176.7 | -21.2 | 35.3 | 0 | 0 | 0 | 111.4 | V223 F227 F281 | V223-P279 HydrophobicContact CG2-CG 4.38Å; F227-P279 HydrophobicContact CE2-CB 4.1Å; F227-P279 HydrophobicContact CZ-CB 4.25Å; P279-F281 HydrophobicContact CB-CE1 4.43Å; P279-F281 PolarHBondContact O-N 3.31Å | ||
| 280 | N | 82.8 | Confident | 74 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | trans | -83.1 | 94.1 | 173.3 | -171.4 | -4.4 | 0 | 0 | 0 | 110.1 | C282 V283 E286 | N280-C282 PolarHBondContact O-N 3.11Å; N280-C282 WeakPolarHBondContact OD1-CB 3.45Å; N280-C282 PolarHBondContact OD1-N 3.26Å; N280-V283 PolarHBondContact O-N 2.75Å; N280-E286 WeakPolarHBondContact CA-OE2 3.36Å; N280-E286 VanDerWaalsContact CB-CD 3.47Å; N280-E286 VanDerWaalsContact CB-OE1 3.26Å; N280-E286 WeakPolarHBondContact CB-OE1 3.46Å; N280-E286 WeakPolarHBondContact CB-OE2 3.33Å; N280-E286 PolarHBondContact N-OE2 3.38Å | ||
| 281 | F | 85.4 | Confident | 72.8 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 4% | 0.044 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14.7 | -179.7 | -59.8 | -70.4 | 0 | 0 | 0 | 115.1 | V223 I226 F227 H230 R242 F245 P279 V283 | V223-F281 HydrophobicContact CB-CE1 4.5Å; V223-F281 HydrophobicContact CG1-CE1 4.23Å; I226-F281 HydrophobicContact CB-CD1 4Å; I226-F281 HydrophobicContact CB-CE1 3.79Å; I226-F281 HydrophobicContact CB-CZ 4.11Å; I226-F281 HydrophobicContact CD1-CE2 4.48Å; I226-F281 HydrophobicContact CD1-CZ 4.11Å; I226-F281 HydrophobicContact CG2-CB 4.18Å; I226-F281 HydrophobicContact CG2-CD1 3.51Å; I226-F281 HydrophobicContact CG2-CD2 3.77Å; I226-F281 HydrophobicContact CG2-CE1 3.69Å; I226-F281 HydrophobicContact CG2-CE2 3.92Å; I226-F281 HydrophobicContact CG2-CG 3.54Å; I226-F281 HydrophobicContact CG2-CZ 3.88Å; F227-F281 HydrophobicContact CD1-CD1 4.15Å; F227-F281 AromaticContact CD2-CD1 3.58Å; F227-F281 HydrophobicContact CD2-CD1 3.58Å; F227-F281 AromaticContact CD2-CE1 3.78Å; F227-F281 HydrophobicContact CD2-CE1 3.78Å; F227-F281 HydrophobicContact CE1-CD1 4.19Å; F227-F281 AromaticContact CE2-CD1 3.63Å; F227-F281 HydrophobicContact CE2-CD1 3.63Å; F227-F281 AromaticContact CE2-CE1 3.83Å; F227-F281 HydrophobicContact CE2-CE1 3.83Å; F227-F281 AromaticContact CG-CD1 3.85Å; F227-F281 HydrophobicContact CG-CD1 3.85Å; F227-F281 HydrophobicContact CG-CE1 4.45Å; F227-F281 AromaticContact CZ-CD1 3.95Å; F227-F281 HydrophobicContact CZ-CD1 3.95Å; H230-F281 PolarHBondContact ND1-O 3.01Å; R242-F281 HydrophobicContact CG-CD2 4.13Å; F245-F281 HydrophobicContact CB-CE2 4.22Å; F245-F281 AromaticContact CD1-CE2 3.48Å; F245-F281 HydrophobicContact CD1-CE2 3.48Å; F245-F281 VanDerWaalsContact CD1-CE2 3.48Å; F245-F281 AromaticContact CD1-CZ 3.56Å; F245-F281 HydrophobicContact CD1-CZ 3.56Å; F245-F281 HydrophobicContact CD2-CZ 4.22Å; F245-F281 HydrophobicContact CE1-CE2 4.01Å; F245-F281 AromaticContact CE1-CZ 3.66Å; F245-F281 HydrophobicContact CE1-CZ 3.66Å; F245-F281 HydrophobicContact CE2-CZ 4.29Å; F245-F281 AromaticContact CG-CE2 3.83Å; F245-F281 HydrophobicContact CG-CE2 3.83Å; F245-F281 AromaticContact CG-CZ 3.87Å; F245-F281 HydrophobicContact CG-CZ 3.87Å; F245-F281 HydrophobicContact CZ-CZ 4.03Å; P279-F281 HydrophobicContact CB-CE1 4.43Å; P279-F281 PolarHBondContact O-N 3.31Å; F281-V283 PolarHBondContact O-N 2.95Å |
| 282 | C | 79.6 | Confident | 71.8 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.6 | 173.9 | -62.9 | 0 | 0 | 0 | 0 | 112.9 | N280 | N280-C282 PolarHBondContact O-N 3.11Å; N280-C282 WeakPolarHBondContact OD1-CB 3.45Å; N280-C282 PolarHBondContact OD1-N 3.26Å |
| 283 | V | 77.2 | Confident | 71.4 | Confident | 54 Ų | 54 | 73.1 Ų | 73.1 | 33% | 0.327 | 42% | 0.417 | S | S | . | . | trans | -119.9 | 101.6 | -173.9 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | F227 N280 F281 S285 E286 | F227-V283 WeakPolarHBondContact CE1-O 3.49Å; N280-V283 PolarHBondContact O-N 2.75Å; F281-V283 PolarHBondContact O-N 2.95Å; V283-S285 WeakPolarHBondContact CG1-OG 3.35Å; V283-S285 PolarHBondContact O-N 3.37Å; V283-S285 VanDerWaalsContact O-N 3.16Å; V283-E286 HydrophobicContact CB-CG 4.32Å; V283-E286 HydrophobicContact CG1-CG 4.18Å; V283-E286 PolarHBondContact O-N 2.93Å; V283-E286 VanDerWaalsContact O-N 3.11Å | ||
| 284 | Q | 70 | Confident | 70.7 | Confident | 127 Ų | 127 | 75 Ų | 75 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22 | -173.4 | -157.2 | 169.1 | 14.3 | 0 | 0 | 113.8 | E286 L287 | Q284-E286 VanDerWaalsContact C-N 3.29Å; Q284-E286 PolarHBondContact O-N 3.36Å; Q284-L287 PolarHBondContact O-N 3.13Å |
| 285 | S | 68.6 | Low | 70.1 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -28.5 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 113 | V283 L287 S288 | V283-S285 WeakPolarHBondContact CG1-OG 3.35Å; V283-S285 PolarHBondContact O-N 3.37Å; V283-S285 VanDerWaalsContact O-N 3.16Å; S285-L287 PolarHBondContact O-N 2.89Å; S285-S288 WeakPolarHBondContact O-CB 3.18Å; S285-S288 PolarHBondContact O-N 2.89Å |
| 286 | E | 72.9 | Confident | 69.1 | Low | 60 Ų | 60 | 75.2 Ų | 75.2 | 28% | 0.28 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.2 | -22.3 | 178.9 | -72.7 | -168.5 | -159.3 | 0 | 0 | 113.2 | F227 N280 V283 Q284 S288 E289 H290 | F227-E286 HydrophobicContact CZ-CB 4.27Å; N280-E286 WeakPolarHBondContact CA-OE2 3.36Å; N280-E286 VanDerWaalsContact CB-CD 3.47Å; N280-E286 VanDerWaalsContact CB-OE1 3.26Å; N280-E286 WeakPolarHBondContact CB-OE1 3.46Å; N280-E286 WeakPolarHBondContact CB-OE2 3.33Å; N280-E286 PolarHBondContact N-OE2 3.38Å; V283-E286 HydrophobicContact CB-CG 4.32Å; V283-E286 HydrophobicContact CG1-CG 4.18Å; V283-E286 PolarHBondContact O-N 2.93Å; V283-E286 VanDerWaalsContact O-N 3.11Å; Q284-E286 VanDerWaalsContact C-N 3.29Å; Q284-E286 PolarHBondContact O-N 3.36Å; E286-S288 PolarHBondContact O-N 3.28Å; E286-E289 PolarHBondContact O-N 2.83Å; E286-H290 PolarHBondContact O-N 2.82Å |
| 287 | L | 70.1 | Confident | 68.8 | Low | 49 Ų | 49 | 71.2 Ų | 71.2 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -30.9 | 170.8 | 179.8 | 61 | 0 | 0 | 0 | 111.6 | V223 F227 Q284 S285 | V223-L287 HydrophobicContact CG1-CD1 4.44Å; F227-L287 HydrophobicContact CB-CD2 4.21Å; F227-L287 HydrophobicContact CD1-CB 4.19Å; F227-L287 HydrophobicContact CD2-CB 4.02Å; F227-L287 HydrophobicContact CD2-CD1 3.64Å; F227-L287 HydrophobicContact CD2-CG 4.26Å; F227-L287 HydrophobicContact CE1-CB 4.14Å; F227-L287 HydrophobicContact CE2-CB 3.97Å; F227-L287 HydrophobicContact CE2-CD1 4.04Å; F227-L287 HydrophobicContact CG-CB 4.13Å; F227-L287 HydrophobicContact CG-CD1 4.22Å; F227-L287 HydrophobicContact CG-CD2 4.29Å; F227-L287 HydrophobicContact CG-CG 4.44Å; F227-L287 HydrophobicContact CZ-CB 4.03Å; Q284-L287 PolarHBondContact O-N 3.13Å; S285-L287 PolarHBondContact O-N 2.89Å |
| 288 | S | 56.7 | Low | 68.2 | Low | 110 Ų | 110 | 69 Ų | 69 | 77% | 0.769 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -78.4 | -25.7 | 178.5 | -51 | 0 | 0 | 0 | 0 | 112.3 | S285 E286 | S285-S288 WeakPolarHBondContact O-CB 3.18Å; S285-S288 PolarHBondContact O-N 2.89Å; E286-S288 PolarHBondContact O-N 3.28Å |
| 289 | E | 55.7 | Low | 65.9 | Low | 152 Ų | 152 | 75.5 Ų | 75.5 | 71% | 0.71 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -89.1 | -17 | 177.7 | -65.2 | -179.8 | 179.3 | 0 | 0 | 112.7 | E286 T291 | E286-E289 PolarHBondContact O-N 2.83Å; E289-T291 PolarHBondContact O-N 3.48Å; E289-T291 VanDerWaalsContact O-N 3.09Å |
| 290 | H | 57.6 | Low | 63.5 | Low | 38 Ų | 38 | 79.6 Ų | 79.6 | 18% | 0.176 | 43% | 0.433 | C | S | . | . | trans | -62.9 | 111.5 | -179.5 | -173.6 | -82.4 | 0 | 0 | 0 | 111.5 | Y219 E286 T292 | Y219-H290 AromaticContact CE1-NE2 3.56Å; E286-H290 PolarHBondContact O-N 2.82Å; H290-T292 PolarHBondContact O-N 3.46Å | ||
| 291 | T | 53.4 | Low | 61 | Low | 109 Ų | 109 | 82.3 Ų | 82.3 | 67% | 0.669 | 45% | 0.454 | S | S | * | . | trans | -67.4 | 125 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 109.9 | E289 L293 | E289-T291 PolarHBondContact O-N 3.48Å; E289-T291 VanDerWaalsContact O-N 3.09Å; T291-L293 PolarHBondContact O-N 3.08Å | ||
| 292 | T | 57.3 | Low | 58.1 | Low | 89 Ų | 89 | 87 Ų | 87 | 55% | 0.546 | 49% | 0.488 | S | S | . | . | trans | -62.1 | 120.2 | 173.7 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | E220 H290 R294 | E220-T292 WeakPolarHBondContact OE1-CA 3.43Å; E220-T292 WeakPolarHBondContact OE1-CB 3.41Å; H290-T292 PolarHBondContact O-N 3.46Å; T292-R294 VanDerWaalsContact C-N 3.31Å; T292-R294 PolarHBondContact O-N 3.37Å; T292-R294 VanDerWaalsContact O-N 3.1Å | ||
| 293 | L | 62.5 | Low | 55.5 | Low | 7 Ų | 7 | 92 Ų | 92 | 4% | 0.037 | 51% | 0.51 | C | S | . | . | trans | -78.5 | 75 | 171.2 | -59.3 | 178.1 | 0 | 0 | 0 | 110.1 | Y219 E220 P272 I274 T291 | Y219-L293 HydrophobicContact CD1-CD1 3.38Å; Y219-L293 HydrophobicContact CD1-CG 4.47Å; Y219-L293 HydrophobicContact CE1-CD1 3.62Å; Y219-L293 HydrophobicContact CG-CD1 4.13Å; E220-L293 HydrophobicContact CG-CB 4.19Å; E220-L293 VanDerWaalsContact OE1-C 3.23Å; E220-L293 WeakPolarHBondContact OE1-CA 3.28Å; E220-L293 PolarHBondContact OE1-N 3.42Å; P272-L293 HydrophobicContact CB-CD2 4Å; I274-L293 HydrophobicContact CD1-CD1 4.19Å; I274-L293 HydrophobicContact CG1-CD1 3.82Å; I274-L293 HydrophobicContact CG1-CD2 3.75Å; I274-L293 HydrophobicContact CG1-CG 4.47Å; T291-L293 PolarHBondContact O-N 3.08Å | ||
| 294 | R | 59.1 | Low | 53.1 | Low | 151 Ų | 151 | 94.4 Ų | 94.4 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | trans | -91.7 | 118.5 | 170.1 | -74.8 | -168.3 | 177.8 | -163.6 | -1.5 | 111.4 | P272 T292 T296 | P272-R294 WeakPolarHBondContact CG-O 3.44Å; T292-R294 VanDerWaalsContact C-N 3.31Å; T292-R294 PolarHBondContact O-N 3.37Å; T292-R294 VanDerWaalsContact O-N 3.1Å; R294-T296 PolarHBondContact O-N 3.08Å | ||
| 295 | V | 64.3 | Low | 51 | Low | 14 Ų | 14 | 93.9 Ų | 93.9 | 9% | 0.085 | 53% | 0.534 | C | S | . | . | trans | -86.1 | 101.4 | 174.3 | 180 | 0 | 0 | 0 | 0 | 109 | I212 Q213 A216 V269 | I212-V295 HydrophobicContact CG2-CG1 4.13Å; I212-V295 HydrophobicContact CG2-CG2 4.08Å; Q213-V295 HydrophobicContact CG-CB 4.37Å; Q213-V295 HydrophobicContact CG-CG1 4.05Å; A216-V295 HydrophobicContact CB-CG2 3.64Å; V269-V295 HydrophobicContact CB-CG1 3.73Å; V269-V295 HydrophobicContact CG1-CG1 3.8Å | ||
| 296 | T | 58.1 | Low | 49.1 | Very low | 74 Ų | 74 | 96.2 Ų | 96.2 | 45% | 0.454 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 133 | 174.3 | 29.7 | 0 | 0 | 0 | 0 | 110.8 | Q270 R294 | Q270-T296 PolarHBondContact N-O 2.83Å; Q270-T296 PolarHBondContact OE1-OG1 2.84Å; R294-T296 PolarHBondContact O-N 3.08Å |
| 297 | M | 66.9 | Low | 46.9 | Very low | 74 Ų | 74 | 101.2 Ų | 101.2 | 37% | 0.365 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.6 | 140.7 | 169.3 | -71.2 | -69.5 | -141 | 0 | 0 | 109.5 | I209 Q213 F268 V269 E299 | I209-M297 HydrophobicContact CG2-CE 4.04Å; I209-M297 HydrophobicContact CG2-SD 4.5Å; Q213-M297 VanDerWaalsContact NE2-CE 3.27Å; Q213-M297 PolarHBondContact NE2-SD 3.4Å; F268-M297 WeakPolarHBondContact O-CA 3.11Å; F268-M297 VanDerWaalsContact O-SD 3.37Å; V269-M297 HydrophobicContact CG1-SD 3.47Å; V269-M297 WeakPolarHBondContact CG1-SD 3.3Å; M297-E299 PolarHBondContact O-N 3.43Å |
| 298 | N | 65 | Low | 44.7 | Very low | 76 Ų | 76 | 104.4 Ų | 104.4 | 41% | 0.406 | 60% | 0.597 | S | S | . | * | trans | -71.8 | 115.7 | 169.4 | -66.7 | -17.1 | 0 | 0 | 0 | 108.9 | R266 S267 F268 S300 | R266-N298 PolarHBondContact O-ND2 3.45Å; S267-N298 VanDerWaalsContact C-ND2 3.31Å; S267-N298 WeakPolarHBondContact O-CB 2.81Å; S267-N298 PolarHBondContact O-ND2 3.42Å; F268-N298 PolarHBondContact O-N 3.42Å; N298-S300 PolarHBondContact O-N 3.45Å | ||
| 299 | E | 37.2 | Very low | 43.3 | Very low | 179 Ų | 179 | 106.9 Ų | 106.9 | 84% | 0.836 | 60% | 0.601 | S | S | * | * | trans | -72.3 | 111.1 | 174.5 | -66.4 | -172.9 | 167.6 | 0 | 0 | 109.7 | M297 | M297-E299 PolarHBondContact O-N 3.43Š| ||
| 300 | S | 33.2 | Very low | 41.7 | Very low | 99 Ų | 99 | 104.2 Ų | 104.2 | 69% | 0.692 | 60% | 0.599 | S | S | * | * | trans | -58.1 | 132.1 | 165.7 | 55 | 0 | 0 | 0 | 0 | 109.2 | N298 S302 | N298-S300 PolarHBondContact O-N 3.45Å; S300-S302 PolarHBondContact O-N 3.14Å; S300-S302 VanDerWaalsContact O-N 3.15Å | ||
| 301 | P | 29.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 107.7 Ų | 107.7 | 83% | 0.825 | 63% | 0.627 | S | S | * | * | trans | -51.7 | 122 | -171.7 | 15.6 | -28.4 | 0 | 0 | 0 | 111.6 | L303 | P301-L303 PolarHBondContact O-N 3.45Å; P301-L303 VanDerWaalsContact O-N 3.13Å | ||
| 302 | S | 24.5 | Very low | 38.7 | Very low | 109 Ų | 109 | 110.8 Ų | 110.8 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | trans | -70.5 | 99.2 | -177.6 | 43.7 | 0 | 0 | 0 | 0 | 110.5 | S300 | S300-S302 PolarHBondContact O-N 3.14Å; S300-S302 VanDerWaalsContact O-N 3.15Å | ||
| 303 | L | 26.5 | Very low | 37 | Very low | 163 Ų | 163 | 113.2 Ų | 113.2 | 85% | 0.853 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 130.8 | 151.1 | -85.6 | 139.7 | 0 | 0 | 0 | 107.6 | P301 | P301-L303 PolarHBondContact O-N 3.45Å; P301-L303 VanDerWaalsContact O-N 3.13Å |
| 304 | P | 25.3 | Very low | 35.1 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 146.6 | -176.4 | 24 | -30.8 | 0 | 0 | 0 | 110.4 | ||
| 305 | P | 27.5 | Very low | 33.4 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 134.7 | -175.6 | 25.6 | -31.9 | 0 | 0 | 0 | 109.8 | M307 | P305-M307 PolarHBondContact O-N 3.12Š|
| 306 | P | 27.7 | Very low | 31.4 | Very low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.7 | 175 | -12.6 | 25.4 | 0 | 0 | 0 | 108.6 | ||
| 307 | M | 26.6 | Very low | 29.8 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 142.2 | 169.2 | -76.1 | -117 | -70.9 | 0 | 0 | 110 | P305 L309 | P305-M307 PolarHBondContact O-N 3.12Å; M307-L309 PolarHBondContact O-N 3.2Å |
| 308 | P | 25.1 | Very low | 27.7 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -65.9 | 113.8 | -171.7 | 25.6 | -31.5 | 0 | 0 | 0 | 109.9 | S310 | P308-S310 PolarHBondContact O-N 3.25Š| ||
| 309 | L | 25.3 | Very low | 25.5 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -67.5 | 74.8 | 162.2 | -83 | 130.7 | 0 | 0 | 0 | 108.7 | M307 | M307-L309 PolarHBondContact O-N 3.2Š| ||
| 310 | S | 22.5 | Very low | 24.9 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 142.9 | 152.2 | -82.3 | 0 | 0 | 0 | 0 | 108.1 | P308 | P308-S310 PolarHBondContact O-N 3.25Š| ||
| 311 | S | 24.3 | Very low | 24.4 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 66.5 | 80.8 | 178.1 | 34.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 312 | L | 24.5 | Very low | 24.1 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -165.6 | 64.9 | 134.5 | -96 | 170 | 0 | 0 | 0 | 108.4 | ||||
| 313 | L | 21.8 | Very low | 23.8 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -135.8 | 87.6 | 161.1 | -100 | 163.1 | 0 | 0 | 0 | 106.1 | N18 | N18-L313 VanDerWaalsContact ND2-CD1 3.35Å; N18-L313 WeakPolarHBondContact ND2-CD1 3.46Å | ||
| 314 | S | 22.4 | Very low | 23.6 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -171.9 | 97.2 | 148.2 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 315 | S | 23.2 | Very low | 23.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -173.8 | 94.2 | 137.3 | -79 | 0 | 0 | 0 | 0 | 108.2 | A317 | S315-A317 PolarHBondContact O-N 3.46Š| ||
| 316 | T | 22 | Very low | 24.2 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | trans | -61.9 | 108 | 149.8 | -52.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 317 | A | 24.1 | Very low | 23.8 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | trans | -149.2 | 100.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | S315 | S315-A317 PolarHBondContact O-N 3.46Š| ||
| 318 | V | 23.1 | Very low | 23.6 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | 47.1 | 109.2 | 91.5 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | V320 | V318-V320 PolarHBondContact O-N 3.4Š| |||
| 319 | L | 20.4 | Very low | 23.5 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -33.2 | 115 | 169.3 | -59.3 | 163.2 | 0 | 0 | 0 | 112.4 | ||||
| 320 | V | 24.1 | Very low | 23.3 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -134.5 | 120.3 | 148.9 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | V318 | V318-V320 PolarHBondContact O-N 3.4Š| ||
| 321 | D | 21.8 | Very low | 23.4 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -60.9 | 123.1 | 169.1 | -159.5 | 4.2 | 0 | 0 | 0 | 108.9 | ||||
| 322 | E | 22.5 | Very low | 23.5 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -155.1 | 106.8 | 158.7 | -118.5 | 171.8 | -161.5 | 0 | 0 | 111.6 | ||||
| 323 | R | 19.5 | Very low | 23.4 | Very low | 207 Ų | 207 | 136.3 Ų | 136.3 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -59.5 | 131.5 | 152.8 | -57.9 | 170.1 | -173 | 166.2 | 1.3 | 108.1 | ||||
| 324 | N | 22.5 | Very low | 23.5 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 146.3 | 120.3 | 131.8 | -84 | -24 | 0 | 0 | 0 | 115.1 | ||||
| 325 | I | 25.8 | Very low | 23.4 | Very low | 143 Ų | 143 | 139 Ų | 139 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 79.1 | 144.2 | 130.8 | -60.1 | 168.4 | 0 | 0 | 0 | 117.3 | ||||
| 326 | P | 38.4 | Very low | 23.4 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | cis | -141 | 179.6 | -37.6 | 39.8 | -19.5 | 0 | 0 | 0 | 114.2 | ||||
| 327 | H | 19.9 | Very low | 23.5 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -12.4 | 134.4 | 150.8 | -63.3 | -74.8 | 0 | 0 | 0 | 119.3 | ||||
| 328 | S | 23.1 | Very low | 23.5 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | 170.6 | 139.2 | 113 | 58 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 329 | G | 22.2 | Very low | 23.4 | Very low | 63 Ų | 63 | 140.7 Ų | 140.7 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | 84.3 | 115.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 330 | D | 22.1 | Very low | 23.5 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | cis | 124.3 | 133.1 | 39.1 | -93.7 | -22.7 | 0 | 0 | 0 | 105.5 | ||||
| 331 | E | 22.9 | Very low | 23.4 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | 60.7 | 107.1 | 147.1 | -58.7 | -176.3 | 166.6 | 0 | 0 | 118.5 | ||||
| 332 | D | 27.3 | Very low | 23.5 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 171.4 | 121.1 | 84.3 | -111.5 | -32.3 | 0 | 0 | 0 | 113 | |||||
| 333 | S | 22.4 | Very low | 23.3 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | 38.1 | 98.8 | 126.1 | -46.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 334 | C | 24.2 | Very low | 23.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 95% | 0.946 | 78% | 0.779 | S | S | * | * | trans | -130.4 | 94.5 | 153.9 | -89.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 335 | E | 20.3 | Very low | 23.5 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -117.6 | 148.9 | 170.8 | -151 | -174 | -173.8 | 0 | 0 | 109.8 | ||||
| 336 | L | 23.1 | Very low | 23.2 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | 83.8 | 100.1 | 159 | -75.1 | 130.2 | 0 | 0 | 0 | 121.1 | ||||
| 337 | A | 23 | Very low | 22.3 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | 72.6 | 111.5 | 108.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 338 | I | 25.6 | Very low | 22.6 | Very low | 163 Ų | 163 | 139 Ų | 139 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -137.4 | 113.1 | 140 | -60.2 | -178 | 0 | 0 | 0 | 108.7 | ||||
| 339 | V | 20.2 | Very low | 22.5 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -95 | 122.7 | 169.3 | 173.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 340 | P | 23.5 | Very low | 22.3 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -90.9 | 107.6 | 164.8 | -7.4 | 26.3 | 0 | 0 | 0 | 110.5 | ||||
| 341 | K | 21.2 | Very low | 22.2 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -87.4 | 104.8 | 169.9 | -177.1 | 176.6 | -175.8 | 176.2 | 0 | 108.6 | ||||
| 342 | V | 23.8 | Very low | 22.2 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | -136 | 79.3 | 161.1 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 343 | M | 19 | Very low | 21.9 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -117.6 | 109.7 | 151.6 | -94.2 | -160.7 | -122.6 | 0 | 0 | 105.8 | ||||
| 344 | S | 22.6 | Very low | 21.9 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | 162.9 | 91 | 147.7 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 345 | Q | 23.5 | Very low | 21.8 | Very low | 194 Ų | 194 | 149.6 Ų | 149.6 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -168.6 | 72.2 | 142 | -110.1 | 173 | -1.7 | 0 | 0 | 109.3 | ||||
| 346 | M | 18.6 | Very low | 21.8 | Very low | 194 Ų | 194 | 149.8 Ų | 149.8 | 96% | 0.956 | 81% | 0.812 | S | S | * | * | trans | -86.5 | 116.6 | 146 | -83.6 | 153.7 | 82.6 | 0 | 0 | 106 | ||||
| 347 | C | 20.6 | Very low | 21.8 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -116.2 | 125.5 | 162.4 | -114 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 348 | P | 24.6 | Very low | 21.7 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | trans | -89.1 | 134.9 | -170.7 | 34.1 | -31.7 | 0 | 0 | 0 | 111.1 | K350 | P348-K350 PolarHBondContact O-N 3.06Š| ||
| 349 | T | 21.1 | Very low | 21.7 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 92% | 0.92 | 82% | 0.823 | S | S | * | * | trans | -92.5 | 99.5 | 166.6 | -11.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 350 | K | 18.5 | Very low | 21.8 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | trans | -81.3 | 128.6 | 160.6 | -71.4 | 178.9 | 175.4 | -179.9 | 0 | 108.4 | P348 | P348-K350 PolarHBondContact O-N 3.06Š| ||
| 351 | L | 21.2 | Very low | 21.9 | Very low | 165 Ų | 165 | 157.8 Ų | 157.8 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -167.5 | 97.5 | 145.3 | -129.7 | 74.4 | 0 | 0 | 0 | 106.3 | ||||
| 352 | S | 22 | Very low | 21.9 | Very low | 91 Ų | 91 | 152 Ų | 152 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | 83.8 | 109.4 | 97.6 | 70.9 | 0 | 0 | 0 | 0 | 113.2 | E354 | S352-E354 PolarHBondContact O-N 3.25Š| |||
| 353 | T | 20 | Very low | 21.8 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -15.6 | 119 | 150.3 | 39 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 354 | E | 23.3 | Very low | 22 | Very low | 198 Ų | 198 | 151.2 Ų | 151.2 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -128.8 | 97.8 | 153.8 | -147.2 | 164.1 | -155.8 | 0 | 0 | 108.2 | S352 | S352-E354 PolarHBondContact O-N 3.25Š| ||
| 355 | K | 21.8 | Very low | 22 | Very low | 181 Ų | 181 | 152.9 Ų | 152.9 | 79% | 0.787 | 82% | 0.82 | S | S | * | * | trans | -77.5 | 138.7 | 168 | -82.9 | 178.6 | 172.7 | 177.8 | 0 | 108.5 | ||||
| 356 | Q | 21.6 | Very low | 22.1 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | 60.3 | 106.1 | 146.7 | -68.4 | 173.3 | -5.4 | 0 | 0 | 118.6 | ||||
| 357 | T | 23.1 | Very low | 22.2 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -154.6 | 104.1 | 132.8 | 29.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 358 | L | 20.3 | Very low | 22.5 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | 63.4 | 89 | 83.8 | -160.7 | 83.6 | 0 | 0 | 0 | 112.9 | |||||
| 359 | I | 25.9 | Very low | 22.4 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -129.4 | 95.5 | 144 | -60.1 | -178.2 | 0 | 0 | 0 | 107.2 | L361 | I359-L361 HydrophobicContact CG2-CG 4.46Š| ||
| 360 | K | 21.4 | Very low | 22.4 | Very low | 184 Ų | 184 | 152.7 Ų | 152.7 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -82.8 | 121.8 | 156.8 | -88 | 179.5 | 171.8 | -179.6 | 0 | 107.4 | ||||
| 361 | L | 25.8 | Very low | 22.7 | Very low | 163 Ų | 163 | 153 Ų | 153 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -124.4 | 103.3 | 145 | -68.5 | 166.9 | 0 | 0 | 0 | 102.3 | I359 | I359-L361 HydrophobicContact CG2-CG 4.46Š| ||
| 362 | G | 21.9 | Very low | 22.8 | Very low | 68 Ų | 68 | 151 Ų | 151 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | 69.5 | 76 | 66.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 363 | S | 21.1 | Very low | 23 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 53.2 | 81.7 | 84.6 | -163.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 364 | E | 23.6 | Very low | 23.1 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -127.1 | 108.7 | 145.9 | -83.8 | -173.9 | 163.1 | 0 | 0 | 108.1 | ||||
| 365 | N | 21.6 | Very low | 23 | Very low | 146 Ų | 146 | 154.1 Ų | 154.1 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -68.2 | 133.9 | 158.1 | -72.7 | -32.5 | 0 | 0 | 0 | 107.8 | ||||
| 366 | T | 25.8 | Very low | 23.1 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | -163.8 | 130.7 | 126.3 | 16.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 367 | D | 21.5 | Very low | 23.2 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -45.1 | 142.1 | 174.5 | -55.6 | -66.8 | 0 | 0 | 0 | 112.6 | ||||
| 368 | L | 26 | Very low | 23.2 | Very low | 181 Ų | 181 | 155.7 Ų | 155.7 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | -160.1 | 116.8 | 124.8 | -99.3 | 169.2 | 0 | 0 | 0 | 109.4 | |||||
| 369 | N | 23.1 | Very low | 23.3 | Very low | 138 Ų | 138 | 156.9 Ų | 156.9 | 74% | 0.738 | 83% | 0.828 | S | S | * | * | trans | -74.6 | 151.8 | 176.9 | -142.2 | 7.4 | 0 | 0 | 0 | 110.6 | ||||
| 370 | E | 21.6 | Very low | 23 | Very low | 155 Ų | 155 | 157.9 Ų | 157.9 | 72% | 0.724 | 83% | 0.826 | S | S | * | * | trans | 66.2 | 105.4 | 157.2 | -62.6 | -174.2 | 165.7 | 0 | 0 | 120.4 | ||||
| 371 | K | 24.2 | Very low | 23.2 | Very low | 189 Ų | 189 | 158 Ų | 158 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | 170.8 | 117.1 | 103.3 | -97.5 | 172.7 | -179.5 | 172 | 0 | 112.5 | |||||
| 372 | T | 23.8 | Very low | 23 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | 49.6 | 110.4 | 122.5 | -48.1 | 0 | 0 | 0 | 0 | 120 | |||||
| 373 | V | 25.3 | Very low | 23.4 | Very low | 124 Ų | 124 | 159.6 Ų | 159.6 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | trans | 56.7 | 100.2 | 137.4 | -173.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 374 | M | 22.1 | Very low | 23.7 | Very low | 195 Ų | 195 | 158.9 Ų | 158.9 | 96% | 0.961 | 83% | 0.826 | S | S | * | * | trans | -90.3 | 95 | 156.4 | -73.7 | -84.7 | -98.4 | 0 | 0 | 109.4 | ||||
| 375 | M | 21.2 | Very low | 23.9 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | -122.2 | 110.8 | 143 | -87.4 | -148 | -157.9 | 0 | 0 | 107.1 | ||||
| 376 | S | 24.7 | Very low | 24 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -177.7 | 117.9 | 153.8 | -81.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 377 | K | 24.4 | Very low | 24 | Very low | 208 Ų | 208 | 154 Ų | 154 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -156.7 | 73.8 | 162.6 | -133.4 | -172.5 | -166.5 | -178.8 | 0 | 112.2 | ||||
| 378 | E | 22.3 | Very low | 24.2 | Very low | 195 Ų | 195 | 154 Ų | 154 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -140.3 | 97.4 | 147.2 | -70.6 | -165.2 | 154.9 | 0 | 0 | 107 | ||||
| 379 | M | 22.9 | Very low | 24.1 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | 78.5 | 82.1 | 89.8 | -156.7 | 81.1 | 117.6 | 0 | 0 | 113.6 | |||||
| 380 | K | 19.5 | Very low | 24.2 | Very low | 183 Ų | 183 | 157.9 Ų | 157.9 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | 37.9 | 121 | 134.5 | -70.4 | -178 | 172.9 | -177.2 | 0 | 119.5 | ||||
| 381 | M | 25.7 | Very low | 24.2 | Very low | 188 Ų | 188 | 159 Ų | 159 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | -148.7 | 121.7 | 112.6 | -85 | -55.7 | 178 | 0 | 0 | 110.1 | |||||
| 382 | D | 21.5 | Very low | 24.3 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -70 | 167.4 | 159.5 | -116.7 | -30.1 | 0 | 0 | 0 | 109.1 | ||||
| 383 | P | 29.4 | Very low | 24.4 | Very low | 118 Ų | 118 | 157.4 Ų | 157.4 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | cis | -146 | 176 | 31.1 | 35.7 | -12.7 | 0 | 0 | 0 | 117.2 | ||||
| 384 | S | 26.7 | Very low | 24.3 | Very low | 95 Ų | 95 | 158.1 Ų | 158.1 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | 100.8 | 110.2 | 139.4 | 169.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 385 | V | 29.4 | Very low | 24.3 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 84.3 | 98 | 136.9 | 178.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 386 | N | 22.9 | Very low | 24.4 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 55.4 | 97.1 | 93.5 | -118 | 15.2 | 0 | 0 | 0 | 113.3 | |||||
| 387 | D | 26.1 | Very low | 24.4 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | 169.9 | 109.4 | 118.9 | -91 | -15.9 | 0 | 0 | 0 | 109.2 | |||||
| 388 | K | 24.7 | Very low | 24.4 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 67% | 0.665 | 76% | 0.762 | S | S | * | * | 79.1 | 111.8 | 96.4 | -74.6 | -176.3 | -170 | 110.9 | 0 | 113.6 | |||||
| 389 | H | 23.8 | Very low | 24.8 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | 67 | 105.5 | 129.6 | -68.9 | 55.3 | 0 | 0 | 0 | 117.7 | |||||
| 390 | R | 25.5 | Very low | 24.9 | Very low | 233 Ų | 233 | 145.7 Ų | 145.7 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | 161.8 | 104.4 | 121.5 | -89.2 | 164.6 | 178.4 | -160.8 | -0.7 | 106.2 | |||||
| 391 | H | 23 | Very low | 25.3 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | 41.9 | 138.7 | 75.3 | -78.2 | -62.4 | 0 | 0 | 0 | 114.1 | |||||
| 392 | I | 26.3 | Very low | 25.2 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | trans | 99.1 | 88.2 | -169.3 | -55.9 | 159.4 | 0 | 0 | 0 | 108 | I394 | I392-I394 HydrophobicContact CG2-CD1 4.14Š| ||
| 393 | N | 24.2 | Very low | 25.3 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | cis | 42 | 99.5 | 44.9 | -157.7 | 22.5 | 0 | 0 | 0 | 113.2 | ||||
| 394 | I | 24.5 | Very low | 25.1 | Very low | 139 Ų | 139 | 142 Ų | 142 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -177.7 | 97.8 | 151.5 | -91.3 | 150.8 | 0 | 0 | 0 | 102.9 | I392 | I392-I394 HydrophobicContact CG2-CD1 4.14Š| ||
| 395 | N | 22 | Very low | 25 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | 76.9 | 118.2 | 89 | -84.3 | -6 | 0 | 0 | 0 | 112.3 | |||||
| 396 | N | 22.9 | Very low | 24.7 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | 86.3 | 144.7 | 128.3 | -76.5 | -5 | 0 | 0 | 0 | 120.3 | |||||
| 397 | S | 25.4 | Very low | 24.8 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 86.9 | 95.3 | 150.5 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 398 | N | 24 | Very low | 24.7 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | 42 | 106.3 | 75.3 | -74.7 | 0.4 | 0 | 0 | 0 | 110.7 | |||||
| 399 | I | 30.2 | Very low | 24.7 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -165 | 102.1 | 137.2 | -87.6 | 140.6 | 0 | 0 | 0 | 105.4 | ||||
| 400 | D | 25.5 | Very low | 24.8 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | 37.3 | 144.9 | 123.8 | -56.5 | -28 | 0 | 0 | 0 | 122 | |||||
| 401 | D | 27.3 | Very low | 25.1 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 91 | 100.9 | 146.7 | -75.5 | -37.1 | 0 | 0 | 0 | 120.2 | ||||
| 402 | N | 24.3 | Very low | 25.2 | Very low | 129 Ų | 129 | 145 Ų | 145 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | 53.6 | 128.4 | 109.2 | -83.4 | -40.2 | 0 | 0 | 0 | 119.3 | |||||
| 403 | N | 24.2 | Very low | 25.2 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 75.8 | 112.1 | 148.1 | -68.8 | -31.2 | 0 | 0 | 0 | 118.3 | ||||
| 404 | N | 24.9 | Very low | 25.4 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | 36.4 | 105.8 | 124.4 | -100.7 | -6.5 | 0 | 0 | 0 | 115.9 | |||||
| 405 | S | 23.5 | Very low | 25.5 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 171.9 | 128.3 | 128.6 | -81.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 406 | K | 24.5 | Very low | 25.6 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | 47 | 92.7 | 137.8 | -69.9 | 176.4 | 174.2 | 173 | 0 | 117.1 | N408 | K406-N408 PolarHBondContact O-N 3.33Š| ||
| 407 | M | 24.8 | Very low | 25.8 | Very low | 168 Ų | 168 | 145 Ų | 145 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -95 | 91.8 | 160.2 | -140.4 | 144.7 | 176 | 0 | 0 | 108.7 | W409 | M407-W409 HydrophobicContact CE-CZ2 4.37Å; M407-W409 VanDerWaalsContact CG-NE1 3.33Å | ||
| 408 | N | 23.1 | Very low | 25.9 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -87.6 | 115.3 | 168 | 176.3 | 21.9 | 0 | 0 | 0 | 107.7 | K406 | K406-N408 PolarHBondContact O-N 3.33Š| ||
| 409 | W | 24.9 | Very low | 26 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | trans | -122.4 | 97.6 | 171 | -77.1 | 102.2 | 0 | 0 | 0 | 109.4 | M407 | M407-W409 HydrophobicContact CE-CZ2 4.37Å; M407-W409 VanDerWaalsContact CG-NE1 3.33Å | ||
| 410 | N | 26.5 | Very low | 26 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -99.7 | 118.6 | 161.7 | -115.3 | 4.5 | 0 | 0 | 0 | 107.6 | ||||
| 411 | P | 31.1 | Very low | 26.5 | Very low | 104 Ų | 104 | 147 Ų | 147 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -115.9 | 84.8 | 174.9 | 35.2 | -20.7 | 0 | 0 | 0 | 110.4 | ||||
| 412 | F | 25.2 | Very low | 26.9 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -163.5 | 100.7 | 162.1 | -119.3 | -82.1 | 0 | 0 | 0 | 109.2 | ||||
| 413 | L | 26.9 | Very low | 28 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 165 | 95.8 | 151.6 | -91.8 | 157.6 | 0 | 0 | 0 | 110 | ||||
| 414 | D | 27.6 | Very low | 28.7 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -161.7 | 89.9 | 137 | -127.3 | -2.8 | 0 | 0 | 0 | 107 | ||||
| 415 | N | 25.8 | Very low | 29.9 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | 61.2 | 113.5 | 93.4 | -85.2 | -25.3 | 0 | 0 | 0 | 115.7 | |||||
| 416 | S | 25.2 | Very low | 30.6 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | 99.9 | 144 | 120.6 | 72.7 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 417 | I | 27.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | trans | 99.2 | 88 | 170.3 | -53.6 | 174.3 | 0 | 0 | 0 | 112.5 | ||||
| 418 | Q | 26.5 | Very low | 32.4 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | 73 | 143.7 | 87.7 | -80 | 174.4 | -13.5 | 0 | 0 | 111.3 | |||||
| 419 | L | 26.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | cis | -178.8 | 158.6 | -9.1 | -162.7 | 82.5 | 0 | 0 | 0 | 102.7 | ||||
| 420 | N | 30.5 | Very low | 34.9 | Very low | 125 Ų | 125 | 136 Ų | 136 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | 82.4 | 103.1 | 163.4 | -58.5 | -22.3 | 0 | 0 | 0 | 118.4 | ||||
| 421 | N | 36.1 | Very low | 36.2 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | -178.9 | 106.5 | 89.7 | -94.4 | -31.2 | 0 | 0 | 0 | 111.1 | V423 | N421-V423 PolarHBondContact O-N 2.9Š| |||
| 422 | H | 36 | Very low | 37.5 | Very low | 169 Ų | 169 | 131 Ų | 131 | 78% | 0.782 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 121.2 | 162.5 | -143.2 | -92.7 | 0 | 0 | 0 | 107.9 | ||
| 423 | V | 48.1 | Very low | 39.5 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 78% | 0.782 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169 | -3.4 | 148.3 | 159.4 | 0 | 0 | 0 | 0 | 113.3 | N421 | N421-V423 PolarHBondContact O-N 2.9Š|
| 424 | L | 39 | Very low | 41.8 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 71% | 0.707 | 66% | 0.664 | S | S | * | * | trans | -100.2 | 37.2 | 169.4 | -106.5 | 86.9 | 0 | 0 | 0 | 114.6 | ||||
| 425 | S | 49.2 | Very low | 44.2 | Very low | 78 Ų | 78 | 124 Ų | 124 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | 7.9 | -157.6 | -168.7 | 0 | 0 | 0 | 0 | 118.7 | ||
| 426 | S | 38.9 | Very low | 46.7 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | -24.3 | 178.9 | 69.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 427 | Y | 40.4 | Very low | 49.4 | Very low | 211 Ų | 211 | 125.4 Ų | 125.4 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -12.1 | -179.6 | -81.9 | -81.8 | 0 | 0 | 0 | 113.7 | ||
| 428 | Q | 46.1 | Very low | 52.1 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -99.7 | -17.1 | -178.2 | -147.8 | 137.4 | -0.4 | 0 | 0 | 113.2 | A432 | Q428-A432 VanDerWaalsContact O-CB 3.24Å; Q428-A432 WeakPolarHBondContact O-CB 3.11Å; Q428-A432 PolarHBondContact O-N 2.97Å |
| 429 | T | 47.5 | Very low | 54.9 | Low | 62 Ų | 62 | 119.2 Ų | 119.2 | 38% | 0.38 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66 | -44.8 | 175.7 | 32.8 | 0 | 0 | 0 | 0 | 112.2 | V431 A432 D433 | T429-V431 PolarHBondContact O-N 3.44Å; T429-A432 PolarHBondContact O-N 2.65Å; T429-D433 WeakPolarHBondContact O-CB 3.5Å; T429-D433 VanDerWaalsContact O-CG 3.26Å; T429-D433 PolarHBondContact O-N 2.68Å |
| 430 | H | 52.1 | Low | 57.8 | Low | 141 Ų | 141 | 116.7 Ų | 116.7 | 65% | 0.653 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.4 | -38.4 | 179.3 | -104.6 | -76.1 | 0 | 0 | 0 | 113.8 | E434 | H430-E434 PolarHBondContact O-N 3.37Å |
| 431 | V | 55.1 | Low | 60.6 | Low | 97 Ų | 97 | 116.1 Ų | 116.1 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.7 | -30.9 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | T429 K435 | T429-V431 PolarHBondContact O-N 3.44Å; V431-K435 VanDerWaalsContact O-CB 3.23Å; V431-K435 WeakPolarHBondContact O-CB 3.21Å; V431-K435 PolarHBondContact O-N 3.3Å; V431-K435 VanDerWaalsContact O-N 3.09Å |
| 432 | A | 58.6 | Low | 63.1 | Low | 52 Ų | 52 | 111.6 Ų | 111.6 | 43% | 0.43 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.6 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q428 T429 K435 H436 | Q428-A432 VanDerWaalsContact O-CB 3.24Å; Q428-A432 WeakPolarHBondContact O-CB 3.11Å; Q428-A432 PolarHBondContact O-N 2.97Å; T429-A432 PolarHBondContact O-N 2.65Å; A432-K435 PolarHBondContact O-N 3.09Å; A432-H436 VanDerWaalsContact O-CB 3.25Å; A432-H436 WeakPolarHBondContact O-CB 3.35Å; A432-H436 PolarHBondContact O-N 3.27Å |
| 433 | D | 66.1 | Low | 65.7 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.1 | -45.8 | 177.6 | -71.6 | -17.1 | 0 | 0 | 0 | 111.1 | T429 K435 H436 E437 | T429-D433 WeakPolarHBondContact O-CB 3.5Å; T429-D433 VanDerWaalsContact O-CG 3.26Å; T429-D433 PolarHBondContact O-N 2.68Å; D433-K435 VanDerWaalsContact C-N 3.33Å; D433-K435 PolarHBondContact O-N 2.64Å; D433-H436 PolarHBondContact O-N 3.25Å; D433-H436 VanDerWaalsContact O-N 3.12Å; D433-E437 WeakPolarHBondContact O-CB 3.36Å; D433-E437 PolarHBondContact O-N 3.46Å |
| 434 | E | 74.5 | Confident | 67.8 | Low | 121 Ų | 121 | 107.8 Ų | 107.8 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.6 | -42.4 | 172.9 | -76.4 | 178.3 | -179.9 | 0 | 0 | 111.6 | H430 H436 E437 V438 | H430-E434 PolarHBondContact O-N 3.37Å; E434-H436 VanDerWaalsContact C-N 3.3Å; E434-H436 PolarHBondContact O-N 3.47Å; E434-E437 PolarHBondContact O-N 3.39Å; E434-V438 VanDerWaalsContact O-CG2 3.32Å; E434-V438 WeakPolarHBondContact O-CG2 3.36Å; E434-V438 PolarHBondContact O-N 2.93Å |
| 435 | K | 78.1 | Confident | 70.3 | Confident | 143 Ų | 143 | 106 Ų | 106 | 62% | 0.622 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -36.5 | 175.2 | -175 | -178.2 | 174.5 | -175.8 | 0 | 111.7 | V431 A432 D433 L439 | V431-K435 VanDerWaalsContact O-CB 3.23Å; V431-K435 WeakPolarHBondContact O-CB 3.21Å; V431-K435 PolarHBondContact O-N 3.3Å; V431-K435 VanDerWaalsContact O-N 3.09Å; A432-K435 PolarHBondContact O-N 3.09Å; D433-K435 VanDerWaalsContact C-N 3.33Å; D433-K435 PolarHBondContact O-N 2.64Å; K435-L439 HydrophobicContact CG-CD1 4.17Å; K435-L439 WeakPolarHBondContact O-CB 3.36Å; K435-L439 WeakPolarHBondContact O-CD1 3.36Å; K435-L439 PolarHBondContact O-N 2.89Å |
| 436 | H | 79.5 | Confident | 72.3 | Confident | 115 Ų | 115 | 107.1 Ų | 107.1 | 53% | 0.532 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.5 | -40.6 | 178.8 | -167.8 | 54.7 | 0 | 0 | 0 | 111.6 | A432 D433 E434 L439 I440 | A432-H436 VanDerWaalsContact O-CB 3.25Å; A432-H436 WeakPolarHBondContact O-CB 3.35Å; A432-H436 PolarHBondContact O-N 3.27Å; D433-H436 PolarHBondContact O-N 3.25Å; D433-H436 VanDerWaalsContact O-N 3.12Å; E434-H436 VanDerWaalsContact C-N 3.3Å; E434-H436 PolarHBondContact O-N 3.47Å; H436-L439 WeakPolarHBondContact O-CB 3.46Å; H436-L439 PolarHBondContact O-N 3.03Å; H436-I440 WeakPolarHBondContact O-CG1 3.26Å; H436-I440 PolarHBondContact O-N 2.99Å |
| 437 | E | 81.6 | Confident | 74.9 | Confident | 140 Ų | 140 | 106 Ų | 106 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 173.8 | -174.1 | 172.3 | -170.7 | 0 | 0 | 111.2 | D433 E434 L439 I440 E441 | D433-E437 WeakPolarHBondContact O-CB 3.36Å; D433-E437 PolarHBondContact O-N 3.46Å; E434-E437 PolarHBondContact O-N 3.39Å; E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 3.4Å; E437-I440 PolarHBondContact O-N 2.93Å; E437-E441 PolarHBondContact O-N 3.13Å |
| 438 | V | 84.4 | Confident | 77.4 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 175.2 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | E434 E441 V442 | E434-V438 VanDerWaalsContact O-CG2 3.32Å; E434-V438 WeakPolarHBondContact O-CG2 3.36Å; E434-V438 PolarHBondContact O-N 2.93Å; V438-E441 PolarHBondContact O-N 3.49Å; V438-V442 HydrophobicContact CG1-CG2 4.34Å; V438-V442 WeakPolarHBondContact O-CB 3.29Å; V438-V442 VanDerWaalsContact O-CG2 3.24Å; V438-V442 WeakPolarHBondContact O-CG2 3.46Å; V438-V442 PolarHBondContact O-N 3.2Å |
| 439 | L | 84 | Confident | 79.7 | Confident | 95 Ų | 95 | 98.1 Ų | 98.1 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 175.4 | -96.4 | 154.5 | 0 | 0 | 0 | 112.1 | K435 H436 E437 E443 | K435-L439 HydrophobicContact CG-CD1 4.17Å; K435-L439 WeakPolarHBondContact O-CB 3.36Å; K435-L439 WeakPolarHBondContact O-CD1 3.36Å; K435-L439 PolarHBondContact O-N 2.89Å; H436-L439 WeakPolarHBondContact O-CB 3.46Å; H436-L439 PolarHBondContact O-N 3.03Å; E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 3.4Å; L439-E443 WeakPolarHBondContact O-CB 3.22Å; L439-E443 PolarHBondContact O-N 3.49Å |
| 440 | I | 87.9 | Confident | 81.8 | Confident | 86 Ų | 86 | 101.9 Ų | 101.9 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 175.9 | -67.7 | 168.1 | 0 | 0 | 0 | 110.3 | H436 E437 V442 E443 L444 | H436-I440 WeakPolarHBondContact O-CG1 3.26Å; H436-I440 PolarHBondContact O-N 2.99Å; E437-I440 PolarHBondContact O-N 2.93Å; I440-V442 PolarHBondContact O-N 2.9Å; I440-E443 PolarHBondContact O-N 3.25Å; I440-L444 HydrophobicContact CG2-CD1 4.07Å; I440-L444 HydrophobicContact CG2-CG 4.44Å; I440-L444 WeakPolarHBondContact O-CG 3.38Å; I440-L444 PolarHBondContact O-N 3.16Å |
| 441 | E | 89 | Confident | 83.8 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.9 | -172.5 | 178.4 | -169.7 | 0 | 0 | 111.7 | E437 V438 E443 L444 L445 | E437-E441 PolarHBondContact O-N 3.13Å; V438-E441 PolarHBondContact O-N 3.49Å; E441-E443 VanDerWaalsContact C-N 3.3Å; E441-E443 PolarHBondContact O-N 2.88Å; E441-L444 PolarHBondContact O-N 3Å; E441-L445 HydrophobicContact CG-CD1 4.11Å; E441-L445 WeakPolarHBondContact O-CB 3.42Å; E441-L445 WeakPolarHBondContact O-CG 3.31Å; E441-L445 PolarHBondContact O-N 2.94Å |
| 442 | V | 88.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 99.8 Ų | 99.8 | 38% | 0.376 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 175.3 | 166.2 | 0 | 0 | 0 | 0 | 111.5 | V438 I440 K446 | V438-V442 HydrophobicContact CG1-CG2 4.34Å; V438-V442 WeakPolarHBondContact O-CB 3.29Å; V438-V442 VanDerWaalsContact O-CG2 3.24Å; V438-V442 WeakPolarHBondContact O-CG2 3.46Å; V438-V442 PolarHBondContact O-N 3.2Å; I440-V442 PolarHBondContact O-N 2.9Å; V442-K446 HydrophobicContact CG1-CD 4.29Å; V442-K446 WeakPolarHBondContact O-CB 3.27Å; V442-K446 VanDerWaalsContact O-CG 3.25Å; V442-K446 WeakPolarHBondContact O-CG 3.43Å; V442-K446 PolarHBondContact O-N 3.5Å |
| 443 | E | 90.6 | Very high | 87.2 | Confident | 102 Ų | 102 | 104 Ų | 104 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.1 | -37 | 179.6 | -156.6 | 63.1 | -165.3 | 0 | 0 | 112.6 | L439 I440 E441 K446 S447 | L439-E443 WeakPolarHBondContact O-CB 3.22Å; L439-E443 PolarHBondContact O-N 3.49Å; I440-E443 PolarHBondContact O-N 3.25Å; E441-E443 VanDerWaalsContact C-N 3.3Å; E441-E443 PolarHBondContact O-N 2.88Å; E443-K446 IonicContact OE2-NZ 2.67Å; E443-K446 PolarHBondContact OE2-NZ 3.41Å; E443-S447 WeakPolarHBondContact O-CB 3.42Å; E443-S447 PolarHBondContact O-N 3.45Å; E443-S447 PolarHBondContact O-OG 3.2Å |
| 444 | L | 92 | Very high | 88.4 | Confident | 116 Ų | 116 | 102 Ų | 102 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 171.5 | -72.8 | 172.6 | 0 | 0 | 0 | 111.6 | I440 E441 K446 S447 E448 | I440-L444 HydrophobicContact CG2-CD1 4.07Å; I440-L444 HydrophobicContact CG2-CG 4.44Å; I440-L444 WeakPolarHBondContact O-CG 3.38Å; I440-L444 PolarHBondContact O-N 3.16Å; E441-L444 PolarHBondContact O-N 3Å; L444-K446 PolarHBondContact O-N 2.71Å; L444-S447 PolarHBondContact O-N 3.4Å; L444-E448 WeakPolarHBondContact O-CB 3.35Å; L444-E448 PolarHBondContact O-N 2.67Å |
| 445 | L | 92.3 | Very high | 89.2 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 177.1 | -74.7 | 171 | 0 | 0 | 0 | 112.2 | E441 E448 I449 | E441-L445 HydrophobicContact CG-CD1 4.11Å; E441-L445 WeakPolarHBondContact O-CB 3.42Å; E441-L445 WeakPolarHBondContact O-CG 3.31Å; E441-L445 PolarHBondContact O-N 2.94Å; L445-E448 PolarHBondContact O-N 2.88Å; L445-I449 WeakPolarHBondContact O-CB 3.39Å; L445-I449 VanDerWaalsContact O-CG1 3.25Å; L445-I449 WeakPolarHBondContact O-CG1 3.26Å; L445-I449 PolarHBondContact O-N 2.88Å |
| 446 | K | 91.1 | Very high | 89.9 | Confident | 103 Ų | 103 | 99.9 Ų | 99.9 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 173 | -76.6 | 171.9 | -170.4 | 166.1 | 0 | 111.7 | V442 E443 L444 E448 I449 E450 | V442-K446 HydrophobicContact CG1-CD 4.29Å; V442-K446 WeakPolarHBondContact O-CB 3.27Å; V442-K446 VanDerWaalsContact O-CG 3.25Å; V442-K446 WeakPolarHBondContact O-CG 3.43Å; V442-K446 PolarHBondContact O-N 3.5Å; E443-K446 IonicContact OE2-NZ 2.67Å; E443-K446 PolarHBondContact OE2-NZ 3.41Å; L444-K446 PolarHBondContact O-N 2.71Å; K446-E448 VanDerWaalsContact C-N 3.29Å; K446-E448 PolarHBondContact O-N 3.33Å; K446-I449 PolarHBondContact O-N 3.15Å; K446-E450 PolarHBondContact O-N 3.49Å |
| 447 | S | 92.6 | Very high | 90.6 | Very high | 65 Ų | 65 | 100.9 Ų | 100.9 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 177.9 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | E443 L444 E450 R451 | E443-S447 WeakPolarHBondContact O-CB 3.42Å; E443-S447 PolarHBondContact O-N 3.45Å; E443-S447 PolarHBondContact O-OG 3.2Å; L444-S447 PolarHBondContact O-N 3.4Å; S447-E450 PolarHBondContact O-N 3.41Å; S447-R451 WeakPolarHBondContact O-CB 3.35Å; S447-R451 PolarHBondContact O-N 3.46Å |
| 448 | E | 93 | Very high | 91.1 | Very high | 79 Ų | 79 | 101 Ų | 101 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 176.3 | -174.9 | 61.8 | -172.4 | 0 | 0 | 112.3 | L444 L445 K446 E450 R451 L452 | L444-E448 WeakPolarHBondContact O-CB 3.35Å; L444-E448 PolarHBondContact O-N 2.67Å; L445-E448 PolarHBondContact O-N 2.88Å; K446-E448 VanDerWaalsContact C-N 3.29Å; K446-E448 PolarHBondContact O-N 3.33Å; E448-E450 VanDerWaalsContact C-N 3.34Å; E448-E450 PolarHBondContact O-N 2.85Å; E448-R451 PolarHBondContact O-N 2.96Å; E448-R451 IonicContact OE1-CZ 2.88Å; E448-R451 IonicContact OE1-NE 3Å; E448-R451 IonicContact OE1-NH2 3.67Å; E448-R451 PolarHBondContact OE1-NH2 3.02Å; E448-R451 IonicContact OE2-CZ 3.85Å; E448-R451 IonicContact OE2-NE 3.5Å; E448-R451 PolarHBondContact OE2-NE 3.43Å; E448-R451 IonicContact OE2-NH2 2.69Å; E448-L452 HydrophobicContact CG-CD1 4.3Å; E448-L452 WeakPolarHBondContact O-CB 3.37Å; E448-L452 WeakPolarHBondContact O-CG 3.32Å; E448-L452 PolarHBondContact O-N 3.37Å |
| 449 | I | 93.9 | Very high | 91.5 | Very high | 87 Ų | 87 | 102.7 Ų | 102.7 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 173.1 | -72 | 166.5 | 0 | 0 | 0 | 111 | L445 K446 K453 | L445-I449 WeakPolarHBondContact O-CB 3.39Å; L445-I449 VanDerWaalsContact O-CG1 3.25Å; L445-I449 WeakPolarHBondContact O-CG1 3.26Å; L445-I449 PolarHBondContact O-N 2.88Å; K446-I449 PolarHBondContact O-N 3.15Å; I449-K453 HydrophobicContact CG2-CD 4.06Å; I449-K453 HydrophobicContact CG2-CG 4.48Å; I449-K453 WeakPolarHBondContact O-CB 3.3Å; I449-K453 VanDerWaalsContact O-CG 3.23Å; I449-K453 WeakPolarHBondContact O-CG 3.44Å; I449-K453 PolarHBondContact O-N 2.94Å |
| 450 | E | 92.4 | Very high | 91.9 | Very high | 141 Ų | 141 | 100.9 Ų | 100.9 | 66% | 0.659 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 176.6 | -74.6 | -173.3 | 173.2 | 0 | 0 | 112.1 | K446 S447 E448 K453 A454 | K446-E450 PolarHBondContact O-N 3.49Å; S447-E450 PolarHBondContact O-N 3.41Å; E448-E450 VanDerWaalsContact C-N 3.34Å; E448-E450 PolarHBondContact O-N 2.85Å; E450-K453 PolarHBondContact O-N 3.43Å; E450-A454 PolarHBondContact O-N 3.08Å |
| 451 | R | 93.6 | Very high | 92.1 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -50 | 173.7 | -170.2 | -174.2 | 74.1 | 77.4 | 5.4 | 111.3 | S447 E448 K453 A454 E455 | S447-R451 WeakPolarHBondContact O-CB 3.35Å; S447-R451 PolarHBondContact O-N 3.46Å; E448-R451 PolarHBondContact O-N 2.96Å; E448-R451 IonicContact OE1-CZ 2.88Å; E448-R451 IonicContact OE1-NE 3Å; E448-R451 IonicContact OE1-NH2 3.67Å; E448-R451 PolarHBondContact OE1-NH2 3.02Å; E448-R451 IonicContact OE2-CZ 3.85Å; E448-R451 IonicContact OE2-NE 3.5Å; E448-R451 PolarHBondContact OE2-NE 3.43Å; E448-R451 IonicContact OE2-NH2 2.69Å; R451-K453 VanDerWaalsContact C-N 3.34Å; R451-K453 PolarHBondContact O-N 2.82Å; R451-A454 PolarHBondContact O-N 2.78Å; R451-E455 IonicContact CZ-OE1 3.51Å; R451-E455 VanDerWaalsContact NH1-CD 3.26Å; R451-E455 IonicContact NH1-OE1 3.8Å; R451-E455 PolarHBondContact NH1-OE1 2.82Å; R451-E455 IonicContact NH1-OE2 3.01Å; R451-E455 PolarHBondContact NH1-OE2 3.21Å; R451-E455 PolarHBondContact O-N 3.32Å |
| 452 | L | 92.7 | Very high | 92.3 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 178.1 | -74.9 | 171 | 0 | 0 | 0 | 112.2 | E448 E455 H456 | E448-L452 HydrophobicContact CG-CD1 4.3Å; E448-L452 WeakPolarHBondContact O-CB 3.37Å; E448-L452 WeakPolarHBondContact O-CG 3.32Å; E448-L452 PolarHBondContact O-N 3.37Å; L452-E455 PolarHBondContact O-N 3.03Å; L452-H456 WeakPolarHBondContact O-CB 3.43Å; L452-H456 PolarHBondContact O-N 3.44Å |
| 453 | K | 92.8 | Very high | 92.5 | Very high | 140 Ų | 140 | 104 Ų | 104 | 61% | 0.609 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 174.6 | -79.1 | 172.7 | 179.7 | 176.7 | 0 | 112.2 | I449 E450 R451 H456 H457 | I449-K453 HydrophobicContact CG2-CD 4.06Å; I449-K453 HydrophobicContact CG2-CG 4.48Å; I449-K453 WeakPolarHBondContact O-CB 3.3Å; I449-K453 VanDerWaalsContact O-CG 3.23Å; I449-K453 WeakPolarHBondContact O-CG 3.44Å; I449-K453 PolarHBondContact O-N 2.94Å; E450-K453 PolarHBondContact O-N 3.43Å; R451-K453 VanDerWaalsContact C-N 3.34Å; R451-K453 PolarHBondContact O-N 2.82Å; K453-H456 PolarHBondContact O-N 3.01Å; K453-H457 WeakPolarHBondContact O-CB 3.29Å; K453-H457 PolarHBondContact O-N 2.93Å |
| 454 | A | 91.4 | Very high | 92.7 | Very high | 61 Ų | 61 | 104.2 Ų | 104.2 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E450 R451 H456 H457 E458 | E450-A454 PolarHBondContact O-N 3.08Å; R451-A454 PolarHBondContact O-N 2.78Å; A454-H456 VanDerWaalsContact C-N 3.33Å; A454-H456 PolarHBondContact O-N 3.22Å; A454-H457 PolarHBondContact O-N 3.27Å; A454-E458 PolarHBondContact O-N 3.4Å |
| 455 | E | 91.8 | Very high | 92.7 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 38% | 0.379 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 174.9 | -72.8 | -179.3 | 167.8 | 0 | 0 | 111.7 | R451 L452 H457 E458 Q459 | R451-E455 IonicContact CZ-OE1 3.51Å; R451-E455 VanDerWaalsContact NH1-CD 3.26Å; R451-E455 IonicContact NH1-OE1 3.8Å; R451-E455 PolarHBondContact NH1-OE1 2.82Å; R451-E455 IonicContact NH1-OE2 3.01Å; R451-E455 PolarHBondContact NH1-OE2 3.21Å; R451-E455 PolarHBondContact O-N 3.32Å; L452-E455 PolarHBondContact O-N 3.03Å; E455-H457 VanDerWaalsContact C-N 3.32Å; E455-H457 PolarHBondContact O-N 2.94Å; E455-E458 PolarHBondContact O-N 3.48Å; E455-Q459 WeakPolarHBondContact O-CG 3.27Å; E455-Q459 PolarHBondContact O-N 3.33Å |
| 456 | H | 93.3 | Very high | 92.8 | Very high | 138 Ų | 138 | 103.4 Ų | 103.4 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -34 | 177.5 | -135 | -73.2 | 0 | 0 | 0 | 112.3 | L452 K453 A454 S460 | L452-H456 WeakPolarHBondContact O-CB 3.43Å; L452-H456 PolarHBondContact O-N 3.44Å; K453-H456 PolarHBondContact O-N 3.01Å; A454-H456 VanDerWaalsContact C-N 3.33Å; A454-H456 PolarHBondContact O-N 3.22Å; H456-S460 VanDerWaalsContact O-CB 3.25Å; H456-S460 WeakPolarHBondContact O-CB 3.47Å; H456-S460 PolarHBondContact O-N 2.97Å |
| 457 | H | 92.5 | Very high | 92.9 | Very high | 137 Ų | 137 | 102.6 Ų | 102.6 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.5 | -42 | 176.2 | -168.3 | 71 | 0 | 0 | 0 | 111.7 | K453 A454 E455 S460 F461 | K453-H457 WeakPolarHBondContact O-CB 3.29Å; K453-H457 PolarHBondContact O-N 2.93Å; A454-H457 PolarHBondContact O-N 3.27Å; E455-H457 VanDerWaalsContact C-N 3.32Å; E455-H457 PolarHBondContact O-N 2.94Å; H457-S460 PolarHBondContact O-N 3.36Å; H457-F461 WeakPolarHBondContact O-CB 3.4Å; H457-F461 PolarHBondContact O-N 2.98Å |
| 458 | E | 92.6 | Very high | 92.9 | Very high | 142 Ų | 142 | 105.9 Ų | 105.9 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 175.9 | -171.2 | 179.5 | -178.9 | 0 | 0 | 111.7 | A454 E455 S460 F461 S462 | A454-E458 PolarHBondContact O-N 3.4Å; E455-E458 PolarHBondContact O-N 3.48Å; E458-S460 VanDerWaalsContact C-N 3.35Å; E458-S460 PolarHBondContact O-N 2.96Å; E458-F461 PolarHBondContact O-N 3.48Å; E458-S462 WeakPolarHBondContact O-CB 3.19Å; E458-S462 PolarHBondContact O-N 2.84Å |
| 459 | Q | 93 | Very high | 93 | Very high | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 173.7 | -72.2 | 179.6 | 5.6 | 0 | 0 | 111.6 | E455 F461 S462 L463 | E455-Q459 WeakPolarHBondContact O-CG 3.27Å; E455-Q459 PolarHBondContact O-N 3.33Å; Q459-F461 VanDerWaalsContact C-N 3.34Å; Q459-F461 PolarHBondContact O-N 3.19Å; Q459-S462 PolarHBondContact O-N 2.89Å; Q459-L463 WeakPolarHBondContact O-CB 3.35Å; Q459-L463 WeakPolarHBondContact O-CG 3.41Å; Q459-L463 PolarHBondContact O-N 2.87Å |
| 460 | S | 91.5 | Very high | 92.9 | Very high | 57 Ų | 57 | 104.8 Ų | 104.8 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | H456 H457 E458 L463 L464 | H456-S460 VanDerWaalsContact O-CB 3.25Å; H456-S460 WeakPolarHBondContact O-CB 3.47Å; H456-S460 PolarHBondContact O-N 2.97Å; H457-S460 PolarHBondContact O-N 3.36Å; E458-S460 VanDerWaalsContact C-N 3.35Å; E458-S460 PolarHBondContact O-N 2.96Å; S460-L463 PolarHBondContact O-N 2.95Å; S460-L464 WeakPolarHBondContact O-CB 3.4Å; S460-L464 WeakPolarHBondContact O-CG 3.4Å; S460-L464 PolarHBondContact O-N 3.36Å |
| 461 | F | 93.5 | Very high | 92.8 | Very high | 135 Ų | 135 | 103.1 Ų | 103.1 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | 176.9 | -175.7 | -95.9 | 0 | 0 | 0 | 111.6 | H457 E458 Q459 L463 L464 N465 | H457-F461 WeakPolarHBondContact O-CB 3.4Å; H457-F461 PolarHBondContact O-N 2.98Å; E458-F461 PolarHBondContact O-N 3.48Å; Q459-F461 VanDerWaalsContact C-N 3.34Å; Q459-F461 PolarHBondContact O-N 3.19Å; F461-L463 VanDerWaalsContact C-N 3.33Å; F461-L463 PolarHBondContact O-N 3.16Å; F461-L464 PolarHBondContact O-N 2.98Å; F461-N465 WeakPolarHBondContact O-CB 3.37Å; F461-N465 PolarHBondContact O-N 3.21Å |
| 462 | S | 93.3 | Very high | 92.8 | Very high | 77 Ų | 77 | 101.1 Ų | 101.1 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 112 | E458 Q459 R466 | E458-S462 WeakPolarHBondContact O-CB 3.19Å; E458-S462 PolarHBondContact O-N 2.84Å; Q459-S462 PolarHBondContact O-N 2.89Å; S462-R466 PolarHBondContact O-N 3.38Å |
| 463 | L | 93.5 | Very high | 92.7 | Very high | 115 Ų | 115 | 101.7 Ų | 101.7 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.7 | -43.8 | 177.1 | -72.9 | 172.1 | 0 | 0 | 0 | 111.9 | Q459 S460 F461 N465 R466 I467 | Q459-L463 WeakPolarHBondContact O-CB 3.35Å; Q459-L463 WeakPolarHBondContact O-CG 3.41Å; Q459-L463 PolarHBondContact O-N 2.87Å; S460-L463 PolarHBondContact O-N 2.95Å; F461-L463 VanDerWaalsContact C-N 3.33Å; F461-L463 PolarHBondContact O-N 3.16Å; L463-N465 VanDerWaalsContact C-N 3.32Å; L463-N465 PolarHBondContact O-N 3.23Å; L463-R466 PolarHBondContact O-N 3.24Å; L463-I467 WeakPolarHBondContact O-CG1 3.27Å; L463-I467 PolarHBondContact O-N 2.85Å |
| 464 | L | 93.3 | Very high | 92.6 | Very high | 107 Ų | 107 | 99.9 Ų | 99.9 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60 | -42 | 175.5 | -78.7 | 167.6 | 0 | 0 | 0 | 111.9 | S460 F461 R466 I467 R468 | S460-L464 WeakPolarHBondContact O-CB 3.4Å; S460-L464 WeakPolarHBondContact O-CG 3.4Å; S460-L464 PolarHBondContact O-N 3.36Å; F461-L464 PolarHBondContact O-N 2.98Å; L464-R466 VanDerWaalsContact C-N 3.34Å; L464-R466 PolarHBondContact O-N 3.01Å; L464-I467 PolarHBondContact O-N 2.99Å; L464-R468 PolarHBondContact O-N 2.89Å |
| 465 | N | 92.7 | Very high | 92.6 | Very high | 59 Ų | 59 | 103 Ų | 103 | 32% | 0.316 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.2 | -34.7 | 178.4 | -152.8 | 22.4 | 0 | 0 | 0 | 111.8 | F461 L463 R468 I469 | F461-N465 WeakPolarHBondContact O-CB 3.37Å; F461-N465 PolarHBondContact O-N 3.21Å; L463-N465 VanDerWaalsContact C-N 3.32Å; L463-N465 PolarHBondContact O-N 3.23Å; N465-R468 PolarHBondContact O-N 3.19Å; N465-R468 PolarHBondContact OD1-NE 2.95Å; N465-R468 PolarHBondContact OD1-NH2 3.33Å; N465-I469 WeakPolarHBondContact O-CG1 3.3Å; N465-I469 PolarHBondContact O-N 3.22Å; N465-I469 VanDerWaalsContact O-N 3.15Å |
| 466 | R | 95.3 | Very high | 92.4 | Very high | 135 Ų | 135 | 106.1 Ų | 106.1 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 173.2 | -176.7 | 55.4 | 162.9 | 145.9 | -3.9 | 112.2 | S462 L463 L464 R468 I469 L470 | S462-R466 PolarHBondContact O-N 3.38Å; L463-R466 PolarHBondContact O-N 3.24Å; L464-R466 VanDerWaalsContact C-N 3.34Å; L464-R466 PolarHBondContact O-N 3.01Å; R466-R468 VanDerWaalsContact C-N 3.35Å; R466-I469 PolarHBondContact O-N 3.19Å; R466-L470 HydrophobicContact CG-CD1 4.22Å; R466-L470 WeakPolarHBondContact O-CG 3.28Å; R466-L470 PolarHBondContact O-N 3.5Å; R466-L470 VanDerWaalsContact O-N 3.08Å |
| 467 | I | 92.1 | Very high | 92.1 | Very high | 86 Ų | 86 | 105.2 Ų | 105.2 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 174.8 | -70.2 | 166.5 | 0 | 0 | 0 | 109.8 | L463 L464 I469 L470 E471 | L463-I467 WeakPolarHBondContact O-CG1 3.27Å; L463-I467 PolarHBondContact O-N 2.85Å; L464-I467 PolarHBondContact O-N 2.99Å; I467-I469 PolarHBondContact O-N 3.06Å; I467-L470 PolarHBondContact O-N 3.39Å; I467-L470 VanDerWaalsContact O-N 3.15Å; I467-E471 HydrophobicContact CG2-CG 4.21Å; I467-E471 WeakPolarHBondContact O-CG 2.94Å; I467-E471 PolarHBondContact O-N 3.45Å |
| 468 | R | 93.9 | Very high | 92 | Very high | 135 Ų | 135 | 103 Ų | 103 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57 | -45.3 | 177.5 | -174 | 178.2 | 67.1 | 107.2 | -0.8 | 113.1 | L464 N465 R466 L470 E471 D472 | L464-R468 PolarHBondContact O-N 2.89Å; N465-R468 PolarHBondContact O-N 3.19Å; N465-R468 PolarHBondContact OD1-NE 2.95Å; N465-R468 PolarHBondContact OD1-NH2 3.33Å; R466-R468 VanDerWaalsContact C-N 3.35Å; R468-L470 PolarHBondContact O-N 3.08Å; R468-E471 PolarHBondContact O-N 3.41Å; R468-D472 PolarHBondContact O-N 2.9Å; R468-D472 VanDerWaalsContact O-N 3.09Å |
| 469 | I | 93.7 | Very high | 91.7 | Very high | 73 Ų | 73 | 102.5 Ų | 102.5 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.3 | -67 | 166.4 | 0 | 0 | 0 | 110.9 | N465 R466 I467 E471 D472 E473 | N465-I469 WeakPolarHBondContact O-CG1 3.3Å; N465-I469 PolarHBondContact O-N 3.22Å; N465-I469 VanDerWaalsContact O-N 3.15Å; R466-I469 PolarHBondContact O-N 3.19Å; I467-I469 PolarHBondContact O-N 3.06Å; I469-E471 VanDerWaalsContact C-N 3.34Å; I469-E471 PolarHBondContact O-N 3.14Å; I469-D472 PolarHBondContact O-N 3.49Å; I469-E473 PolarHBondContact O-N 3.43Å |
| 470 | L | 91.5 | Very high | 91.5 | Very high | 70 Ų | 70 | 104.9 Ų | 104.9 | 37% | 0.366 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 177.4 | -69.7 | 170.7 | 0 | 0 | 0 | 112.1 | R466 I467 R468 D472 E473 I474 | R466-L470 HydrophobicContact CG-CD1 4.22Å; R466-L470 WeakPolarHBondContact O-CG 3.28Å; R466-L470 PolarHBondContact O-N 3.5Å; R466-L470 VanDerWaalsContact O-N 3.08Å; I467-L470 PolarHBondContact O-N 3.39Å; I467-L470 VanDerWaalsContact O-N 3.15Å; R468-L470 PolarHBondContact O-N 3.08Å; L470-D472 VanDerWaalsContact C-N 3.33Å; L470-E473 PolarHBondContact O-N 3.5Å; L470-I474 WeakPolarHBondContact O-CB 3.41Å; L470-I474 WeakPolarHBondContact O-CD1 3.29Å; L470-I474 WeakPolarHBondContact O-CG1 3.47Å; L470-I474 PolarHBondContact O-N 3.12Å |
| 471 | E | 91.6 | Very high | 91.4 | Very high | 105 Ų | 105 | 108.1 Ų | 108.1 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 174.4 | -74.9 | 174.7 | 168.1 | 0 | 0 | 112 | I467 R468 I469 K475 | I467-E471 HydrophobicContact CG2-CG 4.21Å; I467-E471 WeakPolarHBondContact O-CG 2.94Å; I467-E471 PolarHBondContact O-N 3.45Å; R468-E471 PolarHBondContact O-N 3.41Å; I469-E471 VanDerWaalsContact C-N 3.34Å; I469-E471 PolarHBondContact O-N 3.14Å; E471-K475 WeakPolarHBondContact O-CG 3.45Å; E471-K475 PolarHBondContact O-N 3.42Å; E471-K475 VanDerWaalsContact O-N 3.12Å |
| 472 | D | 92 | Very high | 91.1 | Very high | 69 Ų | 69 | 104.8 Ų | 104.8 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.8 | -41.1 | 176.6 | -69.1 | -24.8 | 0 | 0 | 0 | 112 | R468 I469 L470 I474 K475 E476 | R468-D472 PolarHBondContact O-N 2.9Å; R468-D472 VanDerWaalsContact O-N 3.09Å; I469-D472 PolarHBondContact O-N 3.49Å; L470-D472 VanDerWaalsContact C-N 3.33Å; D472-I474 VanDerWaalsContact C-N 3.31Å; D472-I474 PolarHBondContact O-N 3.35Å; D472-K475 PolarHBondContact O-N 3.11Å; D472-K475 IonicContact OD1-NZ 3.45Å; D472-K475 PolarHBondContact OD1-NZ 3Å; D472-E476 PolarHBondContact O-N 2.87Å; D472-E476 VanDerWaalsContact O-N 3.13Å |
| 473 | E | 92.3 | Very high | 90.7 | Very high | 95 Ų | 95 | 105 Ų | 105 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 171.5 | -75.1 | 176.1 | -173.3 | 0 | 0 | 112 | I469 L470 E476 L477 | I469-E473 PolarHBondContact O-N 3.43Å; L470-E473 PolarHBondContact O-N 3.5Å; E473-E476 PolarHBondContact O-N 3.24Å; E473-L477 WeakPolarHBondContact O-CG 3.3Å; E473-L477 PolarHBondContact O-N 3.38Å |
| 474 | I | 91 | Very high | 90.1 | Very high | 103 Ų | 103 | 104.6 Ų | 104.6 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 176 | -72.8 | 167.1 | 0 | 0 | 0 | 111.1 | L470 D472 L477 V478 | L470-I474 WeakPolarHBondContact O-CB 3.41Å; L470-I474 WeakPolarHBondContact O-CD1 3.29Å; L470-I474 WeakPolarHBondContact O-CG1 3.47Å; L470-I474 PolarHBondContact O-N 3.12Å; D472-I474 VanDerWaalsContact C-N 3.31Å; D472-I474 PolarHBondContact O-N 3.35Å; I474-L477 PolarHBondContact O-N 3.09Å; I474-V478 HydrophobicContact CG2-CG2 4.26Å; I474-V478 WeakPolarHBondContact O-CB 3.4Å; I474-V478 VanDerWaalsContact O-CG2 3.25Å; I474-V478 WeakPolarHBondContact O-CG2 3.22Å; I474-V478 PolarHBondContact O-N 3.39Å |
| 475 | K | 89.4 | Confident | 89.6 | Confident | 127 Ų | 127 | 103.8 Ų | 103.8 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 176.8 | -73.2 | 170.9 | -160 | 153.3 | 0 | 111.7 | E471 D472 V478 Q479 | E471-K475 WeakPolarHBondContact O-CG 3.45Å; E471-K475 PolarHBondContact O-N 3.42Å; E471-K475 VanDerWaalsContact O-N 3.12Å; D472-K475 PolarHBondContact O-N 3.11Å; D472-K475 IonicContact OD1-NZ 3.45Å; D472-K475 PolarHBondContact OD1-NZ 3Å; K475-V478 PolarHBondContact O-N 3.22Å; K475-Q479 PolarHBondContact O-N 3.11Å |
| 476 | E | 87.8 | Confident | 89.1 | Confident | 146 Ų | 146 | 107.6 Ų | 107.6 | 68% | 0.682 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 176.6 | -73.3 | -172.7 | 171.4 | 0 | 0 | 111.9 | D472 E473 V478 Q479 Y480 | D472-E476 PolarHBondContact O-N 2.87Å; D472-E476 VanDerWaalsContact O-N 3.13Å; E473-E476 PolarHBondContact O-N 3.24Å; E476-V478 PolarHBondContact O-N 3.42Å; E476-Q479 PolarHBondContact O-N 3.1Å; E476-Y480 PolarHBondContact O-N 2.81Å |
| 477 | L | 87.8 | Confident | 88.3 | Confident | 118 Ų | 118 | 106.5 Ų | 106.5 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -38.1 | 176.5 | -74.1 | 172.9 | 0 | 0 | 0 | 112.6 | E473 I474 Y480 K481 | E473-L477 WeakPolarHBondContact O-CG 3.3Å; E473-L477 PolarHBondContact O-N 3.38Å; I474-L477 PolarHBondContact O-N 3.09Å; L477-Y480 PolarHBondContact O-N 3.45Å; L477-K481 WeakPolarHBondContact O-CB 3.47Å; L477-K481 PolarHBondContact O-N 3.23Å |
| 478 | V | 90.3 | Very high | 87.6 | Confident | 92 Ų | 92 | 107 Ų | 107 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -41.7 | 174.9 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | I474 K475 E476 K481 S482 | I474-V478 HydrophobicContact CG2-CG2 4.26Å; I474-V478 WeakPolarHBondContact O-CB 3.4Å; I474-V478 VanDerWaalsContact O-CG2 3.25Å; I474-V478 WeakPolarHBondContact O-CG2 3.22Å; I474-V478 PolarHBondContact O-N 3.39Å; K475-V478 PolarHBondContact O-N 3.22Å; E476-V478 PolarHBondContact O-N 3.42Å; V478-K481 PolarHBondContact O-N 2.96Å; V478-S482 WeakPolarHBondContact O-CB 3.48Å; V478-S482 PolarHBondContact O-N 3.49Å |
| 479 | Q | 87.1 | Confident | 87.1 | Confident | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 177.1 | -169.6 | 168.2 | 5 | 0 | 0 | 112.1 | K475 E476 K481 S482 N483 | K475-Q479 PolarHBondContact O-N 3.11Å; E476-Q479 PolarHBondContact O-N 3.1Å; Q479-K481 VanDerWaalsContact C-N 3.34Å; Q479-K481 PolarHBondContact O-N 3.02Å; Q479-S482 PolarHBondContact O-N 3.04Å; Q479-N483 PolarHBondContact O-N 3.41Å |
| 480 | Y | 88.5 | Confident | 86.5 | Confident | 169 Ų | 169 | 105.2 Ų | 105.2 | 66% | 0.663 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | 173.5 | -176.1 | -92.6 | 0 | 0 | 0 | 111.8 | E476 L477 N483 H484 | E476-Y480 PolarHBondContact O-N 2.81Å; L477-Y480 PolarHBondContact O-N 3.45Å; Y480-N483 PolarHBondContact O-N 3.3Å; Y480-H484 PolarHBondContact O-N 2.96Å |
| 481 | K | 88 | Confident | 85.8 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.1 | -167.4 | -179.9 | -174.3 | -100.8 | 0 | 111.9 | L477 V478 Q479 N483 H484 E485 | L477-K481 WeakPolarHBondContact O-CB 3.47Å; L477-K481 PolarHBondContact O-N 3.23Å; V478-K481 PolarHBondContact O-N 2.96Å; Q479-K481 VanDerWaalsContact C-N 3.34Å; Q479-K481 PolarHBondContact O-N 3.02Å; K481-N483 PolarHBondContact O-N 2.92Å; K481-H484 PolarHBondContact O-N 3.18Å; K481-E485 WeakPolarHBondContact CE-OE1 3.46Å; K481-E485 IonicContact NZ-OE1 2.65Å; K481-E485 PolarHBondContact NZ-OE1 3.27Å; K481-E485 WeakPolarHBondContact O-CG 3.35Å; K481-E485 PolarHBondContact O-N 3.4Å |
| 482 | S | 87.3 | Confident | 85 | Confident | 65 Ų | 65 | 109.1 Ų | 109.1 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 176.8 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | V478 Q479 H484 E485 E486 | V478-S482 WeakPolarHBondContact O-CB 3.48Å; V478-S482 PolarHBondContact O-N 3.49Å; Q479-S482 PolarHBondContact O-N 3.04Å; S482-H484 VanDerWaalsContact C-N 3.34Å; S482-H484 PolarHBondContact O-N 3.29Å; S482-E485 PolarHBondContact O-N 2.95Å; S482-E486 PolarHBondContact O-N 2.94Å |
| 483 | N | 84.8 | Confident | 84.5 | Confident | 82 Ų | 82 | 109.1 Ų | 109.1 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 177.8 | -68.6 | -8.7 | 0 | 0 | 0 | 112 | Q479 Y480 K481 Q487 | Q479-N483 PolarHBondContact O-N 3.41Å; Y480-N483 PolarHBondContact O-N 3.3Å; K481-N483 PolarHBondContact O-N 2.92Å; N483-Q487 WeakPolarHBondContact O-CG 3.39Å; N483-Q487 PolarHBondContact O-N 3.38Å; N483-Q487 VanDerWaalsContact O-N 3.11Å |
| 484 | H | 82.4 | Confident | 83.9 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 176.8 | -166.5 | 66 | 0 | 0 | 0 | 112.1 | Y480 K481 S482 Q487 Q488 | Y480-H484 PolarHBondContact O-N 2.96Å; K481-H484 PolarHBondContact O-N 3.18Å; S482-H484 VanDerWaalsContact C-N 3.34Å; S482-H484 PolarHBondContact O-N 3.29Å; H484-Q487 PolarHBondContact O-N 3.22Å; H484-Q488 WeakPolarHBondContact O-CB 3.41Å; H484-Q488 PolarHBondContact O-N 3.45Å |
| 485 | E | 82.1 | Confident | 83.3 | Confident | 90 Ų | 90 | 110.8 Ų | 110.8 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 174.3 | -74.1 | 174.4 | -179.8 | 0 | 0 | 111.4 | K481 S482 Q488 V489 | K481-E485 WeakPolarHBondContact CE-OE1 3.46Å; K481-E485 IonicContact NZ-OE1 2.65Å; K481-E485 PolarHBondContact NZ-OE1 3.27Å; K481-E485 WeakPolarHBondContact O-CG 3.35Å; K481-E485 PolarHBondContact O-N 3.4Å; S482-E485 PolarHBondContact O-N 2.95Å; E485-Q488 PolarHBondContact O-N 3.2Å; E485-V489 WeakPolarHBondContact O-CG2 3.34Å; E485-V489 PolarHBondContact O-N 3.45Å |
| 486 | E | 82.4 | Confident | 82.6 | Confident | 139 Ų | 139 | 106.7 Ų | 106.7 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 176 | -171 | -179.6 | 178.2 | 0 | 0 | 112.3 | S482 V489 N490 | S482-E486 PolarHBondContact O-N 2.94Å; E486-V489 PolarHBondContact O-N 2.96Å; E486-N490 PolarHBondContact O-N 3.02Å; E486-N490 VanDerWaalsContact O-N 3.11Å |
| 487 | Q | 78.7 | Confident | 82.2 | Confident | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 174.1 | -75.6 | -178.9 | 4.9 | 0 | 0 | 111.8 | N483 H484 V489 N490 Y491 | N483-Q487 WeakPolarHBondContact O-CG 3.39Å; N483-Q487 PolarHBondContact O-N 3.38Å; N483-Q487 VanDerWaalsContact O-N 3.11Å; H484-Q487 PolarHBondContact O-N 3.22Å; Q487-V489 PolarHBondContact O-N 3.39Å; Q487-N490 WeakPolarHBondContact O-CB 3.46Å; Q487-N490 PolarHBondContact O-N 3.2Å; Q487-Y491 HydrophobicContact CB-CE2 4.33Å; Q487-Y491 WeakPolarHBondContact O-CD2 3.46Å; Q487-Y491 PolarHBondContact O-N 2.94Å |
| 488 | Q | 78.1 | Confident | 81.8 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 178 | -175 | 178.2 | -14.1 | 0 | 0 | 111.5 | H484 E485 N490 Y491 E492 | H484-Q488 WeakPolarHBondContact O-CB 3.41Å; H484-Q488 PolarHBondContact O-N 3.45Å; E485-Q488 PolarHBondContact O-N 3.2Å; Q488-N490 VanDerWaalsContact C-N 3.29Å; Q488-N490 PolarHBondContact O-N 3.02Å; Q488-Y491 PolarHBondContact O-N 3.49Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.33Å; Q488-E492 PolarHBondContact NE2-OE1 3.01Å; Q488-E492 WeakPolarHBondContact O-CG 3.49Å; Q488-E492 PolarHBondContact O-N 3.08Å |
| 489 | V | 83.3 | Confident | 81.4 | Confident | 83 Ų | 83 | 105.4 Ų | 105.4 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | E485 E486 Q487 E492 T493 | E485-V489 WeakPolarHBondContact O-CG2 3.34Å; E485-V489 PolarHBondContact O-N 3.45Å; E486-V489 PolarHBondContact O-N 2.96Å; Q487-V489 PolarHBondContact O-N 3.39Å; V489-E492 PolarHBondContact O-N 2.96Å; V489-T493 WeakPolarHBondContact O-CB 3.42Å; V489-T493 PolarHBondContact O-N 3.36Å; V489-T493 PolarHBondContact O-OG1 3.32Å |
| 490 | N | 80.1 | Confident | 81 | Confident | 87 Ų | 87 | 101 Ų | 101 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 176.2 | -166.3 | -9.3 | 0 | 0 | 0 | 112 | E486 Q487 Q488 T493 K494 | E486-N490 PolarHBondContact O-N 3.02Å; E486-N490 VanDerWaalsContact O-N 3.11Å; Q487-N490 WeakPolarHBondContact O-CB 3.46Å; Q487-N490 PolarHBondContact O-N 3.2Å; Q488-N490 VanDerWaalsContact C-N 3.29Å; Q488-N490 PolarHBondContact O-N 3.02Å; N490-T493 PolarHBondContact O-N 2.78Å; N490-K494 WeakPolarHBondContact O-CG 3.37Å; N490-K494 PolarHBondContact O-N 3.02Å; N490-K494 WeakPolarHBondContact OD1-CE 3.3Å |
| 491 | Y | 77.7 | Confident | 80.5 | Confident | 161 Ų | 161 | 97.9 Ų | 97.9 | 63% | 0.631 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 174.3 | -71.6 | -63.5 | 0 | 0 | 0 | 112.4 | Q487 Q488 K494 L495 | Q487-Y491 HydrophobicContact CB-CE2 4.33Å; Q487-Y491 WeakPolarHBondContact O-CD2 3.46Å; Q487-Y491 PolarHBondContact O-N 2.94Å; Q488-Y491 PolarHBondContact O-N 3.49Å; Y491-K494 PolarHBondContact O-N 3Å; Y491-L495 WeakPolarHBondContact O-CB 3.34Å; Y491-L495 PolarHBondContact O-N 3.47Å |
| 492 | E | 74.2 | Confident | 80.1 | Confident | 97 Ų | 97 | 94.8 Ų | 94.8 | 45% | 0.453 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 175.3 | -74.9 | 175.2 | -172.6 | 0 | 0 | 111.9 | Q488 V489 L495 T496 | Q488-E492 WeakPolarHBondContact CG-OE1 3.33Å; Q488-E492 PolarHBondContact NE2-OE1 3.01Å; Q488-E492 WeakPolarHBondContact O-CG 3.49Å; Q488-E492 PolarHBondContact O-N 3.08Å; V489-E492 PolarHBondContact O-N 2.96Å; E492-L495 PolarHBondContact O-N 2.68Å; E492-T496 VanDerWaalsContact O-CB 3.3Å; E492-T496 WeakPolarHBondContact O-CB 3.29Å; E492-T496 PolarHBondContact O-N 2.95Å; E492-T496 PolarHBondContact O-OG1 2.63Å |
| 493 | T | 80.5 | Confident | 79.4 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 42% | 0.423 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.6 | -47.9 | 176.5 | -55 | 0 | 0 | 0 | 0 | 111.2 | V489 N490 L495 T496 E497 | V489-T493 WeakPolarHBondContact O-CB 3.42Å; V489-T493 PolarHBondContact O-N 3.36Å; V489-T493 PolarHBondContact O-OG1 3.32Å; N490-T493 PolarHBondContact O-N 2.78Å; T493-L495 VanDerWaalsContact C-N 3.34Å; T493-L495 PolarHBondContact O-N 3.38Å; T493-T496 WeakPolarHBondContact O-CB 3.1Å; T493-T496 PolarHBondContact O-N 3.2Å; T493-E497 PolarHBondContact O-N 3.05Å |
| 494 | K | 80.7 | Confident | 79.1 | Confident | 115 Ų | 115 | 94.3 Ų | 94.3 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.8 | -73.3 | 176.8 | -179.4 | 174.6 | 0 | 112.6 | N490 Y491 K498 | N490-K494 WeakPolarHBondContact O-CG 3.37Å; N490-K494 PolarHBondContact O-N 3.02Å; N490-K494 WeakPolarHBondContact OD1-CE 3.3Å; Y491-K494 PolarHBondContact O-N 3Å; K494-K498 WeakPolarHBondContact O-CG 3.36Å; K494-K498 PolarHBondContact O-N 2.87Å |
| 495 | L | 77.5 | Confident | 79 | Confident | 117 Ų | 117 | 95 Ų | 95 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 175.6 | -173.7 | 67.1 | 0 | 0 | 0 | 110.9 | Y491 E492 T493 K498 V499 | Y491-L495 WeakPolarHBondContact O-CB 3.34Å; Y491-L495 PolarHBondContact O-N 3.47Å; E492-L495 PolarHBondContact O-N 2.68Å; T493-L495 VanDerWaalsContact C-N 3.34Å; T493-L495 PolarHBondContact O-N 3.38Å; L495-K498 PolarHBondContact O-N 3.31Å; L495-V499 VanDerWaalsContact O-CG2 3.32Å; L495-V499 WeakPolarHBondContact O-CG2 3.4Å; L495-V499 PolarHBondContact O-N 2.94Å |
| 496 | T | 76.1 | Confident | 79.1 | Confident | 42 Ų | 42 | 95.9 Ų | 95.9 | 26% | 0.258 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | G191 E492 T493 K498 V499 C500 | G191-T496 WeakPolarHBondContact O-CG2 3.45Å; E492-T496 VanDerWaalsContact O-CB 3.3Å; E492-T496 WeakPolarHBondContact O-CB 3.29Å; E492-T496 PolarHBondContact O-N 2.95Å; E492-T496 PolarHBondContact O-OG1 2.63Å; T493-T496 WeakPolarHBondContact O-CB 3.1Å; T493-T496 PolarHBondContact O-N 3.2Å; T496-K498 PolarHBondContact O-N 3.43Å; T496-V499 PolarHBondContact O-N 3.04Å; T496-C500 WeakPolarHBondContact O-CB 3.41Å; T496-C500 PolarHBondContact O-N 3.35Å |
| 497 | E | 78.5 | Confident | 79.1 | Confident | 132 Ų | 132 | 94.1 Ų | 94.1 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.2 | -43 | 175.6 | -75.1 | -179.7 | 171.4 | 0 | 0 | 112.2 | T493 C500 Q501 | T493-E497 PolarHBondContact O-N 3.05Å; E497-C500 PolarHBondContact O-N 2.89Å; E497-Q501 PolarHBondContact O-N 2.79Å |
| 498 | K | 78.7 | Confident | 79.4 | Confident | 142 Ų | 142 | 95 Ų | 95 | 62% | 0.617 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.5 | -38.2 | 178 | -68.6 | -66.4 | 178.7 | -174.7 | 0 | 112.6 | K494 L495 T496 Q501 A502 | K494-K498 WeakPolarHBondContact O-CG 3.36Å; K494-K498 PolarHBondContact O-N 2.87Å; L495-K498 PolarHBondContact O-N 3.31Å; T496-K498 PolarHBondContact O-N 3.43Å; K498-Q501 PolarHBondContact O-N 3.33Å; K498-A502 PolarHBondContact O-N 3.24Å; K498-A502 VanDerWaalsContact O-N 3.09Å |
| 499 | V | 83.2 | Confident | 79.9 | Confident | 54 Ų | 54 | 97 Ų | 97 | 33% | 0.327 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L495 T496 Q501 A502 Q503 | L495-V499 VanDerWaalsContact O-CG2 3.32Å; L495-V499 WeakPolarHBondContact O-CG2 3.4Å; L495-V499 PolarHBondContact O-N 2.94Å; T496-V499 PolarHBondContact O-N 3.04Å; V499-Q501 VanDerWaalsContact C-N 3.35Å; V499-Q501 PolarHBondContact O-N 3Å; V499-A502 PolarHBondContact O-N 2.9Å; V499-Q503 WeakPolarHBondContact O-CG 3.43Å; V499-Q503 PolarHBondContact O-N 3.06Å |
| 500 | C | 78.6 | Confident | 79.9 | Confident | 38 Ų | 38 | 97.6 Ų | 97.6 | 26% | 0.257 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | Q193 T496 E497 A502 Q503 M504 | Q193-C500 PolarHBondContact OE1-SG 3.43Å; Q193-C500 VanDerWaalsContact OE1-SG 3.37Å; T496-C500 WeakPolarHBondContact O-CB 3.41Å; T496-C500 PolarHBondContact O-N 3.35Å; E497-C500 PolarHBondContact O-N 2.89Å; C500-A502 PolarHBondContact O-N 3.4Å; C500-Q503 PolarHBondContact O-N 3.35Å; C500-M504 WeakPolarHBondContact O-CG 3.48Å; C500-M504 PolarHBondContact O-N 3.12Å |
| 501 | Q | 77.3 | Confident | 80.2 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.9 | -164 | 175.9 | 18 | 0 | 0 | 111.7 | E497 K498 V499 M504 F505 | E497-Q501 PolarHBondContact O-N 2.79Å; K498-Q501 PolarHBondContact O-N 3.33Å; V499-Q501 VanDerWaalsContact C-N 3.35Å; V499-Q501 PolarHBondContact O-N 3Å; Q501-M504 PolarHBondContact O-N 3.36Å; Q501-F505 HydrophobicContact CG-CD2 4.33Å; Q501-F505 HydrophobicContact CG-CE2 4.08Å; Q501-F505 WeakPolarHBondContact O-CD2 3.44Å; Q501-F505 PolarHBondContact O-N 2.99Å |
| 502 | A | 79.2 | Confident | 80.7 | Confident | 61 Ų | 61 | 96.5 Ų | 96.5 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K498 V499 C500 F505 E506 | K498-A502 PolarHBondContact O-N 3.24Å; K498-A502 VanDerWaalsContact O-N 3.09Å; V499-A502 PolarHBondContact O-N 2.9Å; C500-A502 PolarHBondContact O-N 3.4Å; A502-F505 WeakPolarHBondContact O-CB 3.43Å; A502-F505 PolarHBondContact O-N 3.38Å; A502-E506 PolarHBondContact O-N 2.87Å |
| 503 | Q | 74.1 | Confident | 81.4 | Confident | 36 Ų | 36 | 97.6 Ų | 97.6 | 17% | 0.168 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 176.3 | -71.9 | 175.7 | -18 | 0 | 0 | 112.1 | Q193 V499 C500 F505 E506 E507 | Q193-Q503 PolarHBondContact O-NE2 3.32Å; Q193-Q503 PolarHBondContact O-OE1 3.08Å; V499-Q503 WeakPolarHBondContact O-CG 3.43Å; V499-Q503 PolarHBondContact O-N 3.06Å; C500-Q503 PolarHBondContact O-N 3.35Å; Q503-F505 PolarHBondContact O-N 2.82Å; Q503-E506 PolarHBondContact O-N 3.17Å; Q503-E506 VanDerWaalsContact O-N 3.11Å; Q503-E507 PolarHBondContact O-N 2.85Å |
| 504 | M | 78.5 | Confident | 81.7 | Confident | 101 Ų | 101 | 99.2 Ų | 99.2 | 50% | 0.498 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -33.2 | 175.4 | -72.8 | -65.1 | -63.2 | 0 | 0 | 112.2 | C500 Q501 K508 | C500-M504 WeakPolarHBondContact O-CG 3.48Å; C500-M504 PolarHBondContact O-N 3.12Å; Q501-M504 PolarHBondContact O-N 3.36Å; M504-K508 WeakPolarHBondContact O-CG 3.11Å; M504-K508 PolarHBondContact O-N 3.33Å |
| 505 | F | 78.6 | Confident | 82 | Confident | 119 Ų | 119 | 98.1 Ų | 98.1 | 52% | 0.522 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.2 | -41.4 | 172.5 | -84 | -70.2 | 0 | 0 | 0 | 112.6 | Q501 A502 Q503 E507 K508 F509 | Q501-F505 HydrophobicContact CG-CD2 4.33Å; Q501-F505 HydrophobicContact CG-CE2 4.08Å; Q501-F505 WeakPolarHBondContact O-CD2 3.44Å; Q501-F505 PolarHBondContact O-N 2.99Å; A502-F505 WeakPolarHBondContact O-CB 3.43Å; A502-F505 PolarHBondContact O-N 3.38Å; Q503-F505 PolarHBondContact O-N 2.82Å; F505-E507 PolarHBondContact O-N 2.94Å; F505-K508 PolarHBondContact O-N 3.26Å; F505-F509 WeakPolarHBondContact O-CB 3.37Å; F505-F509 PolarHBondContact O-N 3.21Å |
| 506 | E | 84.3 | Confident | 82.5 | Confident | 109 Ų | 109 | 99.9 Ų | 99.9 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 177.9 | -169.3 | 173.7 | -175.6 | 0 | 0 | 112.1 | A502 Q503 F509 L510 | A502-E506 PolarHBondContact O-N 2.87Å; Q503-E506 PolarHBondContact O-N 3.17Å; Q503-E506 VanDerWaalsContact O-N 3.11Å; E506-F509 PolarHBondContact O-N 3.06Å; E506-L510 HydrophobicContact CG-CD1 4.33Å; E506-L510 WeakPolarHBondContact O-CG 3.29Å; E506-L510 PolarHBondContact O-N 3.34Å |
| 507 | E | 82.6 | Confident | 83 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 174.3 | -76.6 | -163.3 | 169.9 | 0 | 0 | 112.8 | Q503 F505 F509 L510 K511 | Q503-E507 PolarHBondContact O-N 2.85Å; F505-E507 PolarHBondContact O-N 2.94Å; E507-F509 VanDerWaalsContact C-N 3.3Å; E507-F509 PolarHBondContact O-N 3.26Å; E507-L510 PolarHBondContact O-N 3Å; E507-K511 WeakPolarHBondContact O-CG 3.37Å; E507-K511 PolarHBondContact O-N 2.97Å |
| 508 | K | 86.5 | Confident | 83.5 | Confident | 131 Ų | 131 | 99.9 Ų | 99.9 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 175.3 | -74.8 | 175.5 | -177.5 | 179.7 | 0 | 110.7 | M504 F505 K511 L512 | M504-K508 WeakPolarHBondContact O-CG 3.11Å; M504-K508 PolarHBondContact O-N 3.33Å; F505-K508 PolarHBondContact O-N 3.26Å; K508-K511 PolarHBondContact O-N 3.4Å; K508-L512 WeakPolarHBondContact O-CB 3.31Å; K508-L512 PolarHBondContact O-N 3.08Å |
| 509 | F | 88.2 | Confident | 84.1 | Confident | 138 Ų | 138 | 98 Ų | 98 | 61% | 0.605 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 176.8 | -175.8 | -96.3 | 0 | 0 | 0 | 112.5 | F505 E506 E507 L512 K513 | F505-F509 WeakPolarHBondContact O-CB 3.37Å; F505-F509 PolarHBondContact O-N 3.21Å; E506-F509 PolarHBondContact O-N 3.06Å; E507-F509 VanDerWaalsContact C-N 3.3Å; E507-F509 PolarHBondContact O-N 3.26Å; F509-L512 PolarHBondContact O-N 3.35Å; F509-K513 WeakPolarHBondContact O-CB 3.46Å; F509-K513 PolarHBondContact O-N 3.24Å |
| 510 | L | 82.5 | Confident | 84.4 | Confident | 95 Ų | 95 | 104.4 Ų | 104.4 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.7 | -78.9 | 166 | 0 | 0 | 0 | 112.2 | E506 E507 L512 K513 E514 | E506-L510 HydrophobicContact CG-CD1 4.33Å; E506-L510 WeakPolarHBondContact O-CG 3.29Å; E506-L510 PolarHBondContact O-N 3.34Å; E507-L510 PolarHBondContact O-N 3Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 3.43Å; L510-K513 PolarHBondContact O-N 3.01Å; L510-E514 PolarHBondContact O-N 3.26Å |
| 511 | K | 87.4 | Confident | 84.9 | Confident | 133 Ų | 133 | 108.4 Ų | 108.4 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -44.2 | 174.1 | -74.8 | 172.2 | -179.3 | 162.6 | 0 | 111.3 | E507 K508 E514 V515 | E507-K511 WeakPolarHBondContact O-CG 3.37Å; E507-K511 PolarHBondContact O-N 2.97Å; K508-K511 PolarHBondContact O-N 3.4Å; K511-E514 PolarHBondContact O-N 2.99Å; K511-V515 WeakPolarHBondContact O-CG2 3.26Å; K511-V515 PolarHBondContact O-N 3.15Å; K511-V515 VanDerWaalsContact O-N 3.1Å |
| 512 | L | 87.7 | Confident | 85.5 | Confident | 92 Ų | 92 | 109.4 Ų | 109.4 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.3 | -173.5 | 60.6 | 0 | 0 | 0 | 111.5 | K508 F509 L510 E514 V515 Y516 | K508-L512 WeakPolarHBondContact O-CB 3.31Å; K508-L512 PolarHBondContact O-N 3.08Å; F509-L512 PolarHBondContact O-N 3.35Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 3.43Å; L512-E514 VanDerWaalsContact C-N 3.33Å; L512-E514 PolarHBondContact O-N 3.25Å; L512-V515 PolarHBondContact O-N 3.39Å; L512-Y516 HydrophobicContact CD1-CD2 3.96Å; L512-Y516 HydrophobicContact CD1-CE2 3.69Å; L512-Y516 HydrophobicContact CD2-CE2 4.21Å; L512-Y516 HydrophobicContact CG-CD2 3.83Å; L512-Y516 HydrophobicContact CG-CE2 3.74Å; L512-Y516 WeakPolarHBondContact O-CD2 3.47Å; L512-Y516 PolarHBondContact O-N 3Å |
| 513 | K | 87.7 | Confident | 86 | Confident | 120 Ų | 120 | 111.9 Ų | 111.9 | 52% | 0.522 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 175.8 | -176.2 | -179.1 | 178.5 | -178.6 | 0 | 112.4 | F509 L510 Y516 T517 | F509-K513 WeakPolarHBondContact O-CB 3.46Å; F509-K513 PolarHBondContact O-N 3.24Å; L510-K513 PolarHBondContact O-N 3.01Å; K513-Y516 PolarHBondContact O-N 3.42Å; K513-T517 WeakPolarHBondContact O-CB 3.07Å; K513-T517 PolarHBondContact O-N 3.08Å; K513-T517 PolarHBondContact O-OG1 3.44Å |
| 514 | E | 87.2 | Confident | 86.7 | Confident | 103 Ų | 103 | 113.2 Ų | 113.2 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.9 | -165.3 | -171.2 | 154.2 | 0 | 0 | 111.2 | L510 K511 L512 T517 K518 | L510-E514 PolarHBondContact O-N 3.26Å; K511-E514 PolarHBondContact O-N 2.99Å; L512-E514 VanDerWaalsContact C-N 3.33Å; L512-E514 PolarHBondContact O-N 3.25Å; E514-T517 PolarHBondContact O-N 3.46Å; E514-K518 PolarHBondContact O-N 2.68Å; E514-K518 WeakPolarHBondContact OE1-CE 3.37Å; E514-K518 IonicContact OE1-NZ 3.72Å; E514-K518 PolarHBondContact OE1-NZ 3.27Å |
| 515 | V | 87.5 | Confident | 87.3 | Confident | 93 Ų | 93 | 112.2 Ų | 112.2 | 56% | 0.564 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 175.7 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | K511 L512 T517 K518 L519 | K511-V515 WeakPolarHBondContact O-CG2 3.26Å; K511-V515 PolarHBondContact O-N 3.15Å; K511-V515 VanDerWaalsContact O-N 3.1Å; L512-V515 PolarHBondContact O-N 3.39Å; V515-T517 VanDerWaalsContact C-N 3.3Å; V515-T517 PolarHBondContact O-N 3.1Å; V515-K518 PolarHBondContact O-N 3.32Å; V515-L519 WeakPolarHBondContact O-CB 3.36Å; V515-L519 PolarHBondContact O-N 3.38Å |
| 516 | Y | 87.4 | Confident | 87.9 | Confident | 153 Ų | 153 | 111.9 Ų | 111.9 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -36.5 | 175 | -90.6 | -73.4 | 0 | 0 | 0 | 112.8 | L512 K513 R520 | L512-Y516 HydrophobicContact CD1-CD2 3.96Å; L512-Y516 HydrophobicContact CD1-CE2 3.69Å; L512-Y516 HydrophobicContact CD2-CE2 4.21Å; L512-Y516 HydrophobicContact CG-CD2 3.83Å; L512-Y516 HydrophobicContact CG-CE2 3.74Å; L512-Y516 WeakPolarHBondContact O-CD2 3.47Å; L512-Y516 PolarHBondContact O-N 3Å; K513-Y516 PolarHBondContact O-N 3.42Å; Y516-R520 VanDerWaalsContact O-CB 3.26Å; Y516-R520 WeakPolarHBondContact O-CB 3.44Å; Y516-R520 PolarHBondContact O-N 3Å |
| 517 | T | 87.9 | Confident | 88.1 | Confident | 64 Ų | 64 | 111.5 Ų | 111.5 | 39% | 0.393 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 178.4 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | K513 E514 V515 R520 E521 | K513-T517 WeakPolarHBondContact O-CB 3.07Å; K513-T517 PolarHBondContact O-N 3.08Å; K513-T517 PolarHBondContact O-OG1 3.44Å; E514-T517 PolarHBondContact O-N 3.46Å; V515-T517 VanDerWaalsContact C-N 3.3Å; V515-T517 PolarHBondContact O-N 3.1Å; T517-R520 WeakPolarHBondContact O-CB 3.48Å; T517-R520 PolarHBondContact O-N 3.26Å; T517-E521 WeakPolarHBondContact O-CG 3.3Å; T517-E521 PolarHBondContact O-N 3.07Å |
| 518 | K | 88.4 | Confident | 88.3 | Confident | 110 Ų | 110 | 113.4 Ų | 113.4 | 48% | 0.478 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174 | -72.9 | 177.9 | -175.2 | 164.2 | 0 | 111.9 | E514 V515 R520 E521 E522 | E514-K518 PolarHBondContact O-N 2.68Å; E514-K518 WeakPolarHBondContact OE1-CE 3.37Å; E514-K518 IonicContact OE1-NZ 3.72Å; E514-K518 PolarHBondContact OE1-NZ 3.27Å; V515-K518 PolarHBondContact O-N 3.32Å; K518-R520 VanDerWaalsContact C-N 3.3Å; K518-R520 PolarHBondContact O-N 3.49Å; K518-E521 PolarHBondContact O-N 2.93Å; K518-E522 WeakPolarHBondContact O-CG 3.15Å; K518-E522 PolarHBondContact O-N 2.82Å |
| 519 | L | 91.3 | Very high | 88.5 | Confident | 102 Ų | 102 | 111 Ų | 111 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 177.6 | -174.2 | 67.6 | 0 | 0 | 0 | 111.8 | V515 E522 H523 | V515-L519 WeakPolarHBondContact O-CB 3.36Å; V515-L519 PolarHBondContact O-N 3.38Å; L519-E522 PolarHBondContact O-N 3.02Å; L519-H523 VanDerWaalsContact O-CB 3.31Å; L519-H523 WeakPolarHBondContact O-CB 3.3Å; L519-H523 PolarHBondContact O-N 3.21Å |
| 520 | R | 89.3 | Confident | 88.5 | Confident | 189 Ų | 189 | 111.3 Ų | 111.3 | 71% | 0.713 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 175.4 | -177.4 | -176.9 | -178.4 | -179.1 | 2 | 111.6 | Y516 T517 K518 H523 V524 | Y516-R520 VanDerWaalsContact O-CB 3.26Å; Y516-R520 WeakPolarHBondContact O-CB 3.44Å; Y516-R520 PolarHBondContact O-N 3Å; T517-R520 WeakPolarHBondContact O-CB 3.48Å; T517-R520 PolarHBondContact O-N 3.26Å; K518-R520 VanDerWaalsContact C-N 3.3Å; K518-R520 PolarHBondContact O-N 3.49Å; R520-H523 PolarHBondContact O-N 3.11Å; R520-V524 VanDerWaalsContact O-CG2 3.26Å; R520-V524 WeakPolarHBondContact O-CG2 3.33Å; R520-V524 PolarHBondContact O-N 3.44Å |
| 521 | E | 89.1 | Confident | 88.8 | Confident | 123 Ų | 123 | 108.1 Ų | 108.1 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -45.9 | 177.1 | -73.7 | 171.8 | -176.1 | 0 | 0 | 111.3 | T517 K518 H523 V524 V525 | T517-E521 WeakPolarHBondContact O-CG 3.3Å; T517-E521 PolarHBondContact O-N 3.07Å; K518-E521 PolarHBondContact O-N 2.93Å; E521-H523 VanDerWaalsContact C-N 3.34Å; E521-H523 PolarHBondContact O-N 3.48Å; E521-V524 PolarHBondContact O-N 3.18Å; E521-V525 WeakPolarHBondContact O-CG2 3.49Å; E521-V525 PolarHBondContact O-N 3.38Å |
| 522 | E | 89.6 | Confident | 88.9 | Confident | 124 Ų | 124 | 106.1 Ų | 106.1 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.1 | -44 | 173.6 | -72.6 | -178.9 | 174.4 | 0 | 0 | 111.7 | K518 L519 V524 V525 L526 | K518-E522 WeakPolarHBondContact O-CG 3.15Å; K518-E522 PolarHBondContact O-N 2.82Å; L519-E522 PolarHBondContact O-N 3.02Å; E522-V524 PolarHBondContact O-N 3.42Å; E522-V525 PolarHBondContact O-N 3.41Å; E522-L526 WeakPolarHBondContact O-CG 3.35Å; E522-L526 PolarHBondContact O-N 3.12Å |
| 523 | H | 90.3 | Very high | 89 | Confident | 113 Ų | 113 | 107.1 Ų | 107.1 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 177.1 | -169 | -86.9 | 0 | 0 | 0 | 112.5 | L519 R520 E521 L526 L527 | L519-H523 VanDerWaalsContact O-CB 3.31Å; L519-H523 WeakPolarHBondContact O-CB 3.3Å; L519-H523 PolarHBondContact O-N 3.21Å; R520-H523 PolarHBondContact O-N 3.11Å; E521-H523 VanDerWaalsContact C-N 3.34Å; E521-H523 PolarHBondContact O-N 3.48Å; H523-L526 PolarHBondContact O-N 3.19Å; H523-L527 WeakPolarHBondContact ND1-CD1 3.48Å; H523-L527 WeakPolarHBondContact O-CG 3.02Å; H523-L527 PolarHBondContact O-N 3.44Å |
| 524 | V | 89.6 | Confident | 89 | Confident | 64 Ų | 64 | 105.6 Ų | 105.6 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 174.9 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | R520 E521 E522 L527 K528 | R520-V524 VanDerWaalsContact O-CG2 3.26Å; R520-V524 WeakPolarHBondContact O-CG2 3.33Å; R520-V524 PolarHBondContact O-N 3.44Å; E521-V524 PolarHBondContact O-N 3.18Å; E522-V524 PolarHBondContact O-N 3.42Å; V524-L527 PolarHBondContact O-N 2.95Å; V524-K528 WeakPolarHBondContact O-CG 3.42Å; V524-K528 PolarHBondContact O-N 3.24Å; V524-K528 VanDerWaalsContact O-N 3.11Å |
| 525 | V | 90.2 | Very high | 89.1 | Confident | 80 Ų | 80 | 106.1 Ų | 106.1 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | E521 E522 L527 K528 N529 | E521-V525 WeakPolarHBondContact O-CG2 3.49Å; E521-V525 PolarHBondContact O-N 3.38Å; E522-V525 PolarHBondContact O-N 3.41Å; V525-L527 VanDerWaalsContact C-N 3.34Å; V525-L527 PolarHBondContact O-N 2.88Å; V525-K528 PolarHBondContact O-N 3.19Å; V525-N529 PolarHBondContact O-N 2.74Å |
| 526 | L | 90.7 | Very high | 89.2 | Confident | 112 Ų | 112 | 106.4 Ų | 106.4 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -40.3 | 176.1 | -74.8 | 169.7 | 0 | 0 | 0 | 112.4 | E522 H523 K528 N529 Y530 | E522-L526 WeakPolarHBondContact O-CG 3.35Å; E522-L526 PolarHBondContact O-N 3.12Å; H523-L526 PolarHBondContact O-N 3.19Å; L526-K528 PolarHBondContact O-N 3.21Å; L526-N529 PolarHBondContact O-N 2.92Å; L526-Y530 WeakPolarHBondContact O-CB 3.42Å; L526-Y530 PolarHBondContact O-N 3.21Å |
| 527 | L | 88.2 | Confident | 89.3 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 175.1 | -77.4 | 168.8 | 0 | 0 | 0 | 112.6 | H523 V524 V525 Y530 G531 | H523-L527 WeakPolarHBondContact ND1-CD1 3.48Å; H523-L527 WeakPolarHBondContact O-CG 3.02Å; H523-L527 PolarHBondContact O-N 3.44Å; V524-L527 PolarHBondContact O-N 2.95Å; V525-L527 VanDerWaalsContact C-N 3.34Å; V525-L527 PolarHBondContact O-N 2.88Å; L527-Y530 PolarHBondContact O-N 3.42Å; L527-G531 PolarHBondContact O-N 3.37Å |
| 528 | K | 88.8 | Confident | 89.2 | Confident | 143 Ų | 143 | 107 Ų | 107 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 174 | -73.3 | -179 | 178.7 | -176.7 | 0 | 111.4 | V524 V525 L526 Y530 G531 N532 | V524-K528 WeakPolarHBondContact O-CG 3.42Å; V524-K528 PolarHBondContact O-N 3.24Å; V524-K528 VanDerWaalsContact O-N 3.11Å; V525-K528 PolarHBondContact O-N 3.19Å; L526-K528 PolarHBondContact O-N 3.21Å; K528-Y530 VanDerWaalsContact C-N 3.34Å; K528-Y530 PolarHBondContact O-N 3.36Å; K528-G531 PolarHBondContact O-N 3.23Å; K528-N532 PolarHBondContact O-N 3.49Å |
| 529 | N | 90.2 | Very high | 89.2 | Confident | 81 Ų | 81 | 107.1 Ų | 107.1 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.3 | -71.2 | -10.2 | 0 | 0 | 0 | 111.6 | V525 L526 N532 I533 | V525-N529 PolarHBondContact O-N 2.74Å; L526-N529 PolarHBondContact O-N 2.92Å; N529-N532 PolarHBondContact O-N 3.2Å; N529-I533 VanDerWaalsContact O-CG1 3.27Å; N529-I533 WeakPolarHBondContact O-CG1 3.34Å; N529-I533 PolarHBondContact O-N 2.89Å |
| 530 | Y | 88.1 | Confident | 89.1 | Confident | 144 Ų | 144 | 106.5 Ų | 106.5 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -45.6 | 174.4 | -179.9 | -95.6 | 0 | 0 | 0 | 111.7 | L526 L527 K528 N532 I533 Q534 | L526-Y530 WeakPolarHBondContact O-CB 3.42Å; L526-Y530 PolarHBondContact O-N 3.21Å; L527-Y530 PolarHBondContact O-N 3.42Å; K528-Y530 VanDerWaalsContact C-N 3.34Å; K528-Y530 PolarHBondContact O-N 3.36Å; Y530-N532 PolarHBondContact O-N 3.11Å; Y530-I533 PolarHBondContact O-N 2.66Å; Y530-Q534 VanDerWaalsContact CE1-OE1 3.29Å; Y530-Q534 WeakPolarHBondContact O-CB 3.43Å; Y530-Q534 PolarHBondContact O-N 2.99Å |
| 531 | G | 88.6 | Confident | 89.1 | Confident | 28 Ų | 28 | 100.7 Ų | 100.7 | 29% | 0.289 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L527 K528 Q534 Q535 | L527-G531 PolarHBondContact O-N 3.37Å; K528-G531 PolarHBondContact O-N 3.23Å; G531-Q534 PolarHBondContact O-N 2.93Å; G531-Q535 PolarHBondContact O-N 3.21Å |
| 532 | N | 89.5 | Confident | 89 | Confident | 91 Ų | 91 | 99 Ų | 99 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 176.1 | -70.7 | -8.6 | 0 | 0 | 0 | 112.1 | K528 N529 Y530 Q534 Q535 N536 | K528-N532 PolarHBondContact O-N 3.49Å; N529-N532 PolarHBondContact O-N 3.2Å; Y530-N532 PolarHBondContact O-N 3.11Å; N532-Q534 VanDerWaalsContact C-N 3.31Å; N532-Q534 PolarHBondContact O-N 3.49Å; N532-Q535 PolarHBondContact O-N 2.85Å; N532-N536 VanDerWaalsContact O-CG 3.29Å; N532-N536 PolarHBondContact O-N 3.27Å |
| 533 | I | 89.7 | Confident | 89 | Confident | 112 Ų | 112 | 98.1 Ų | 98.1 | 57% | 0.574 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 176.6 | -69.6 | 166 | 0 | 0 | 0 | 110.6 | N529 Y530 N536 L537 | N529-I533 VanDerWaalsContact O-CG1 3.27Å; N529-I533 WeakPolarHBondContact O-CG1 3.34Å; N529-I533 PolarHBondContact O-N 2.89Å; Y530-I533 PolarHBondContact O-N 2.66Å; I533-N536 PolarHBondContact O-N 2.88Å; I533-L537 WeakPolarHBondContact O-CB 3.48Å; I533-L537 PolarHBondContact O-N 3.33Å |
| 534 | Q | 88.1 | Confident | 88.8 | Confident | 88 Ų | 88 | 97 Ų | 97 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 179 | -166.9 | 173.2 | 3 | 0 | 0 | 112.1 | Y530 G531 N532 L537 Q538 | Y530-Q534 VanDerWaalsContact CE1-OE1 3.29Å; Y530-Q534 WeakPolarHBondContact O-CB 3.43Å; Y530-Q534 PolarHBondContact O-N 2.99Å; G531-Q534 PolarHBondContact O-N 2.93Å; N532-Q534 VanDerWaalsContact C-N 3.31Å; N532-Q534 PolarHBondContact O-N 3.49Å; Q534-L537 PolarHBondContact O-N 2.97Å; Q534-Q538 WeakPolarHBondContact O-CG 3.41Å; Q534-Q538 PolarHBondContact O-N 3.43Å |
| 535 | Q | 88.9 | Confident | 88.6 | Confident | 115 Ų | 115 | 98.9 Ų | 98.9 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 172.1 | -75.9 | -175.2 | -12.7 | 0 | 0 | 112 | G531 N532 L537 Q538 Q539 | G531-Q535 PolarHBondContact O-N 3.21Å; N532-Q535 PolarHBondContact O-N 2.85Å; Q535-L537 VanDerWaalsContact C-N 3.3Å; Q535-L537 PolarHBondContact O-N 3.2Å; Q535-Q538 PolarHBondContact O-N 2.91Å; Q535-Q539 WeakPolarHBondContact O-CG 3.41Å; Q535-Q539 PolarHBondContact O-N 3.12Å |
| 536 | N | 89.5 | Confident | 88.4 | Confident | 99 Ų | 99 | 98.9 Ų | 98.9 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.4 | -71.4 | -11.6 | 0 | 0 | 0 | 111.7 | N532 I533 Q539 E540 | N532-N536 VanDerWaalsContact O-CG 3.29Å; N532-N536 PolarHBondContact O-N 3.27Å; I533-N536 PolarHBondContact O-N 2.88Å; N536-Q539 PolarHBondContact O-N 3.39Å; N536-E540 PolarHBondContact O-N 2.61Å |
| 537 | L | 89.3 | Confident | 88.2 | Confident | 112 Ų | 112 | 98.4 Ų | 98.4 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 174.9 | -173.3 | 76.8 | 0 | 0 | 0 | 111.1 | I533 Q534 Q535 Q539 E540 T541 | I533-L537 WeakPolarHBondContact O-CB 3.48Å; I533-L537 PolarHBondContact O-N 3.33Å; Q534-L537 PolarHBondContact O-N 2.97Å; Q535-L537 VanDerWaalsContact C-N 3.3Å; Q535-L537 PolarHBondContact O-N 3.2Å; L537-Q539 PolarHBondContact O-N 3.22Å; L537-E540 PolarHBondContact O-N 3.33Å; L537-T541 WeakPolarHBondContact O-CG2 3.42Å; L537-T541 PolarHBondContact O-N 3.01Å; L537-T541 PolarHBondContact O-OG1 2.94Å |
| 538 | Q | 86.4 | Confident | 88 | Confident | 118 Ų | 118 | 97.3 Ų | 97.3 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.3 | -45 | 177.4 | -78.6 | -179.5 | -11.8 | 0 | 0 | 111.9 | Q534 Q535 E540 T541 Q542 | Q534-Q538 WeakPolarHBondContact O-CG 3.41Å; Q534-Q538 PolarHBondContact O-N 3.43Å; Q535-Q538 PolarHBondContact O-N 2.91Å; Q538-E540 VanDerWaalsContact C-N 3.34Å; Q538-E540 PolarHBondContact O-N 2.98Å; Q538-T541 VanDerWaalsContact CA-OG1 3.27Å; Q538-T541 WeakPolarHBondContact CA-OG1 3.37Å; Q538-T541 PolarHBondContact O-N 3.46Å; Q538-T541 PolarHBondContact O-OG1 3.44Å; Q538-Q542 PolarHBondContact O-N 2.98Å |
| 539 | Q | 88.4 | Confident | 87.8 | Confident | 111 Ų | 111 | 95.5 Ų | 95.5 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.6 | -71.5 | -179.5 | 14.8 | 0 | 0 | 111.9 | Q535 N536 L537 Q542 K543 | Q535-Q539 WeakPolarHBondContact O-CG 3.41Å; Q535-Q539 PolarHBondContact O-N 3.12Å; N536-Q539 PolarHBondContact O-N 3.39Å; L537-Q539 PolarHBondContact O-N 3.22Å; Q539-Q542 PolarHBondContact O-N 3.46Å; Q539-K543 WeakPolarHBondContact O-CG 3.32Å; Q539-K543 PolarHBondContact O-N 3.43Å |
| 540 | E | 88.7 | Confident | 87.5 | Confident | 90 Ų | 90 | 97.2 Ų | 97.2 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.7 | -33.5 | 176.3 | -84.2 | -49.8 | 145.3 | 0 | 0 | 113.9 | N536 L537 Q538 Q542 K543 N544 | N536-E540 PolarHBondContact O-N 2.61Å; L537-E540 PolarHBondContact O-N 3.33Å; Q538-E540 VanDerWaalsContact C-N 3.34Å; Q538-E540 PolarHBondContact O-N 2.98Å; E540-Q542 VanDerWaalsContact C-N 3.31Å; E540-Q542 PolarHBondContact O-N 3.19Å; E540-K543 WeakPolarHBondContact OE1-CD 3.44Å; E540-K543 IonicContact OE1-NZ 3.88Å; E540-K543 PolarHBondContact OE1-NZ 3.14Å; E540-N544 WeakPolarHBondContact O-CB 3.37Å; E540-N544 PolarHBondContact O-N 3.28Å; E540-N544 PolarHBondContact O-ND2 3.43Å |
| 541 | T | 88.1 | Confident | 87.1 | Confident | 66 Ų | 66 | 94.7 Ų | 94.7 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 172.4 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | L537 Q538 N544 Q545 | L537-T541 WeakPolarHBondContact O-CG2 3.42Å; L537-T541 PolarHBondContact O-N 3.01Å; L537-T541 PolarHBondContact O-OG1 2.94Å; Q538-T541 VanDerWaalsContact CA-OG1 3.27Å; Q538-T541 WeakPolarHBondContact CA-OG1 3.37Å; Q538-T541 PolarHBondContact O-N 3.46Å; Q538-T541 PolarHBondContact O-OG1 3.44Å; T541-N544 PolarHBondContact O-N 3.12Å; T541-Q545 WeakPolarHBondContact O-CG 3.44Å; T541-Q545 PolarHBondContact O-N 3.15Å |
| 542 | Q | 88.1 | Confident | 86.8 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 176.7 | -173.6 | 59.9 | 42.4 | 0 | 0 | 111.3 | Q538 Q539 E540 N544 Q545 D546 | Q538-Q542 PolarHBondContact O-N 2.98Å; Q539-Q542 PolarHBondContact O-N 3.46Å; E540-Q542 VanDerWaalsContact C-N 3.31Å; E540-Q542 PolarHBondContact O-N 3.19Å; Q542-N544 VanDerWaalsContact C-N 3.28Å; Q542-N544 PolarHBondContact O-N 3.45Å; Q542-Q545 PolarHBondContact O-N 3.09Å; Q542-Q545 VanDerWaalsContact O-N 3.11Å; Q542-D546 PolarHBondContact NE2-OD1 3.29Å; Q542-D546 PolarHBondContact NE2-OD2 2.88Å; Q542-D546 PolarHBondContact O-N 3.34Å |
| 543 | K | 88.8 | Confident | 86.3 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.5 | -41.7 | 174.8 | -70.7 | 178.3 | -163.8 | 167.8 | 0 | 112 | Q539 E540 D546 L547 | Q539-K543 WeakPolarHBondContact O-CG 3.32Å; Q539-K543 PolarHBondContact O-N 3.43Å; E540-K543 WeakPolarHBondContact OE1-CD 3.44Å; E540-K543 IonicContact OE1-NZ 3.88Å; E540-K543 PolarHBondContact OE1-NZ 3.14Å; K543-D546 PolarHBondContact O-N 3.46Å; K543-L547 WeakPolarHBondContact O-CB 3.27Å; K543-L547 WeakPolarHBondContact O-CG 3.42Å; K543-L547 PolarHBondContact O-N 2.69Å |
| 544 | N | 86.6 | Confident | 85.7 | Confident | 90 Ų | 90 | 97.9 Ų | 97.9 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.2 | -87.8 | -47.9 | 0 | 0 | 0 | 112.6 | E540 T541 Q542 D546 L547 V548 | E540-N544 WeakPolarHBondContact O-CB 3.37Å; E540-N544 PolarHBondContact O-N 3.28Å; E540-N544 PolarHBondContact O-ND2 3.43Å; T541-N544 PolarHBondContact O-N 3.12Å; Q542-N544 VanDerWaalsContact C-N 3.28Å; Q542-N544 PolarHBondContact O-N 3.45Å; N544-D546 VanDerWaalsContact C-N 3.33Å; N544-D546 PolarHBondContact O-N 3.29Å; N544-L547 PolarHBondContact O-N 3.28Å; N544-V548 VanDerWaalsContact O-CG2 3.3Å; N544-V548 WeakPolarHBondContact O-CG2 3.33Å; N544-V548 PolarHBondContact O-N 3Å |
| 545 | Q | 85.6 | Confident | 85 | Confident | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 175.4 | -74.2 | 178.8 | 11.5 | 0 | 0 | 112.1 | T541 Q542 V548 K549 | T541-Q545 WeakPolarHBondContact O-CG 3.44Å; T541-Q545 PolarHBondContact O-N 3.15Å; Q542-Q545 PolarHBondContact O-N 3.09Å; Q542-Q545 VanDerWaalsContact O-N 3.11Å; Q545-V548 PolarHBondContact O-N 3.3Å; Q545-K549 WeakPolarHBondContact O-CG 3.49Å; Q545-K549 PolarHBondContact O-N 3.46Å |
| 546 | D | 86.9 | Confident | 84.2 | Confident | 79 Ų | 79 | 102.8 Ų | 102.8 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 178.2 | -65.3 | -25.9 | 0 | 0 | 0 | 111.5 | Q542 K543 N544 K549 M550 | Q542-D546 PolarHBondContact NE2-OD1 3.29Å; Q542-D546 PolarHBondContact NE2-OD2 2.88Å; Q542-D546 PolarHBondContact O-N 3.34Å; K543-D546 PolarHBondContact O-N 3.46Å; N544-D546 VanDerWaalsContact C-N 3.33Å; N544-D546 PolarHBondContact O-N 3.29Å; D546-K549 PolarHBondContact O-N 2.7Å; D546-K549 IonicContact OD1-NZ 2.68Å; D546-M550 WeakPolarHBondContact O-CB 3.46Å; D546-M550 PolarHBondContact O-N 3.23Å |
| 547 | L | 84.6 | Confident | 83 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 170.8 | -77.4 | 169.5 | 0 | 0 | 0 | 112.3 | K543 N544 M550 I551 | K543-L547 WeakPolarHBondContact O-CB 3.27Å; K543-L547 WeakPolarHBondContact O-CG 3.42Å; K543-L547 PolarHBondContact O-N 2.69Å; N544-L547 PolarHBondContact O-N 3.28Å; L547-M550 WeakPolarHBondContact O-CB 3.36Å; L547-M550 PolarHBondContact O-N 3.45Å; L547-I551 VanDerWaalsContact O-CG1 3.3Å; L547-I551 WeakPolarHBondContact O-CG1 3.26Å; L547-I551 PolarHBondContact O-N 2.91Å |
| 548 | V | 85.3 | Confident | 81.7 | Confident | 77 Ų | 77 | 105.3 Ų | 105.3 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 176.2 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | N544 Q545 M550 I551 E552 | N544-V548 VanDerWaalsContact O-CG2 3.3Å; N544-V548 WeakPolarHBondContact O-CG2 3.33Å; N544-V548 PolarHBondContact O-N 3Å; Q545-V548 PolarHBondContact O-N 3.3Å; V548-M550 VanDerWaalsContact C-N 3.33Å; V548-M550 PolarHBondContact O-N 3.4Å; V548-I551 PolarHBondContact O-N 3.49Å; V548-E552 WeakPolarHBondContact O-CG 3.43Å; V548-E552 PolarHBondContact O-N 3.09Å |
| 549 | K | 83.8 | Confident | 80.4 | Confident | 105 Ų | 105 | 104.1 Ų | 104.1 | 46% | 0.457 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 175.6 | -70.3 | 171.4 | -172.1 | 165.1 | 0 | 112.2 | Q545 D546 I551 E552 N553 | Q545-K549 WeakPolarHBondContact O-CG 3.49Å; Q545-K549 PolarHBondContact O-N 3.46Å; D546-K549 PolarHBondContact O-N 2.7Å; D546-K549 IonicContact OD1-NZ 2.68Å; K549-I551 VanDerWaalsContact C-N 3.34Å; K549-E552 PolarHBondContact O-N 3.28Å; K549-N553 WeakPolarHBondContact O-CB 3.26Å; K549-N553 VanDerWaalsContact O-CG 3.23Å; K549-N553 PolarHBondContact O-N 3.49Å; K549-N553 PolarHBondContact O-ND2 2.93Å |
| 550 | M | 84.8 | Confident | 78.8 | Confident | 117 Ų | 117 | 102.9 Ų | 102.9 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 175.9 | -167.6 | 94 | -162.7 | 0 | 0 | 111.3 | D546 L547 V548 N553 L554 | D546-M550 WeakPolarHBondContact O-CB 3.46Å; D546-M550 PolarHBondContact O-N 3.23Å; L547-M550 WeakPolarHBondContact O-CB 3.36Å; L547-M550 PolarHBondContact O-N 3.45Å; V548-M550 VanDerWaalsContact C-N 3.33Å; V548-M550 PolarHBondContact O-N 3.4Å; M550-N553 PolarHBondContact O-N 3.13Å; M550-L554 HydrophobicContact CG-CD1 4.44Å; M550-L554 WeakPolarHBondContact O-CG 3.24Å; M550-L554 PolarHBondContact O-N 2.93Å |
| 551 | I | 80.4 | Confident | 77.2 | Confident | 91 Ų | 91 | 102.7 Ų | 102.7 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 177.3 | -68.5 | 166.1 | 0 | 0 | 0 | 111 | L547 V548 K549 L554 R555 | L547-I551 VanDerWaalsContact O-CG1 3.3Å; L547-I551 WeakPolarHBondContact O-CG1 3.26Å; L547-I551 PolarHBondContact O-N 2.91Å; V548-I551 PolarHBondContact O-N 3.49Å; K549-I551 VanDerWaalsContact C-N 3.34Å; I551-L554 PolarHBondContact O-N 3.31Å; I551-R555 PolarHBondContact O-N 3.32Å |
| 552 | E | 80.9 | Confident | 75.2 | Confident | 107 Ų | 107 | 104 Ų | 104 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 175.3 | -75.8 | 176.9 | 172.2 | 0 | 0 | 111.7 | V548 K549 L554 R555 H556 | V548-E552 WeakPolarHBondContact O-CG 3.43Å; V548-E552 PolarHBondContact O-N 3.09Å; K549-E552 PolarHBondContact O-N 3.28Å; E552-L554 PolarHBondContact O-N 3Å; E552-R555 PolarHBondContact O-N 2.81Å; E552-H556 WeakPolarHBondContact O-CB 3.23Å; E552-H556 PolarHBondContact O-CD2 2.84Å; E552-H556 VanDerWaalsContact O-CD2 3.29Å; E552-H556 PolarHBondContact O-N 3.15Å |
| 553 | N | 78.5 | Confident | 72.9 | Confident | 94 Ų | 94 | 107.6 Ų | 107.6 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.3 | -42.5 | 175.1 | -72.6 | -22.4 | 0 | 0 | 0 | 111.9 | K549 M550 H556 H557 | K549-N553 WeakPolarHBondContact O-CB 3.26Å; K549-N553 VanDerWaalsContact O-CG 3.23Å; K549-N553 PolarHBondContact O-N 3.49Å; K549-N553 PolarHBondContact O-ND2 2.93Å; M550-N553 PolarHBondContact O-N 3.13Å; N553-H556 PolarHBondContact O-N 3.48Å; N553-H557 PolarHBondContact O-CD2 2.97Å; N553-H557 VanDerWaalsContact O-CD2 3.24Å; N553-H557 PolarHBondContact O-N 3.42Å |
| 554 | L | 78 | Confident | 70.3 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -39.3 | 175.4 | -72.8 | 171 | 0 | 0 | 0 | 112 | M550 I551 E552 H557 Q558 | M550-L554 HydrophobicContact CG-CD1 4.44Å; M550-L554 WeakPolarHBondContact O-CG 3.24Å; M550-L554 PolarHBondContact O-N 2.93Å; I551-L554 PolarHBondContact O-N 3.31Å; E552-L554 PolarHBondContact O-N 3Å; L554-H557 PolarHBondContact O-N 3.43Å; L554-Q558 PolarHBondContact O-N 3Å |
| 555 | R | 73.6 | Confident | 67.8 | Low | 177 Ų | 177 | 109.9 Ų | 109.9 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.4 | -40.9 | 172.6 | -82.6 | -173.8 | -178 | -175.5 | -0.2 | 112.4 | I551 E552 H557 Q558 T559 | I551-R555 PolarHBondContact O-N 3.32Å; E552-R555 PolarHBondContact O-N 2.81Å; R555-H557 VanDerWaalsContact C-N 3.33Å; R555-Q558 PolarHBondContact O-N 3.37Å; R555-T559 WeakPolarHBondContact O-CG2 3.43Å; R555-T559 PolarHBondContact O-N 2.76Å; R555-T559 PolarHBondContact O-OG1 3.42Å |
| 556 | H | 71.4 | Confident | 65.2 | Low | 129 Ų | 129 | 110.7 Ų | 110.7 | 60% | 0.597 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.9 | -37.6 | 174.9 | -84.2 | -58.8 | 0 | 0 | 0 | 111.9 | E552 N553 T559 S560 | E552-H556 WeakPolarHBondContact O-CB 3.23Å; E552-H556 PolarHBondContact O-CD2 2.84Å; E552-H556 VanDerWaalsContact O-CD2 3.29Å; E552-H556 PolarHBondContact O-N 3.15Å; N553-H556 PolarHBondContact O-N 3.48Å; H556-T559 VanDerWaalsContact CA-OG1 3.3Å; H556-T559 WeakPolarHBondContact CA-OG1 3.38Å; H556-T559 PolarHBondContact O-OG1 3.37Å; H556-T559 VanDerWaalsContact O-OG1 3.07Å; H556-S560 WeakPolarHBondContact O-CB 3.49Å; H556-S560 PolarHBondContact O-N 2.87Å; H556-S560 PolarHBondContact O-OG 3.4Å |
| 557 | H | 64.2 | Low | 62.3 | Low | 130 Ų | 130 | 115.1 Ų | 115.1 | 60% | 0.602 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.2 | -41.5 | 173.2 | -83.7 | -59.9 | 0 | 0 | 0 | 112.8 | N553 L554 R555 S560 S561 | N553-H557 PolarHBondContact O-CD2 2.97Å; N553-H557 VanDerWaalsContact O-CD2 3.24Å; N553-H557 PolarHBondContact O-N 3.42Å; L554-H557 PolarHBondContact O-N 3.43Å; R555-H557 VanDerWaalsContact C-N 3.33Å; H557-S560 WeakPolarHBondContact CA-OG 3.47Å; H557-S560 PolarHBondContact O-N 3.2Å; H557-S560 PolarHBondContact O-OG 3.03Å; H557-S561 WeakPolarHBondContact O-CB 3.33Å; H557-S561 PolarHBondContact O-N 3.34Å; H557-S561 PolarHBondContact O-OG 3.4Å; H557-S561 VanDerWaalsContact O-OG 3.07Å |
| 558 | Q | 63 | Low | 59.7 | Low | 133 Ų | 133 | 115.5 Ų | 115.5 | 62% | 0.621 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.8 | -40.7 | 175.3 | -75.6 | -179.6 | -17.3 | 0 | 0 | 112.6 | L554 R555 S560 S561 S562 | L554-Q558 PolarHBondContact O-N 3Å; R555-Q558 PolarHBondContact O-N 3.37Å; Q558-S560 VanDerWaalsContact C-N 3.34Å; Q558-S560 PolarHBondContact O-N 3.12Å; Q558-S561 PolarHBondContact O-OG 2.98Å; Q558-S562 WeakPolarHBondContact O-CB 3.29Å; Q558-S562 PolarHBondContact O-N 2.86Å; Q558-S562 PolarHBondContact O-OG 3.45Å |
| 559 | T | 58.6 | Low | 57 | Low | 93 Ų | 93 | 117 Ų | 117 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.2 | -29.3 | 178 | 45 | 0 | 0 | 0 | 0 | 113.2 | R555 H556 | R555-T559 WeakPolarHBondContact O-CG2 3.43Å; R555-T559 PolarHBondContact O-N 2.76Å; R555-T559 PolarHBondContact O-OG1 3.42Å; H556-T559 VanDerWaalsContact CA-OG1 3.3Å; H556-T559 WeakPolarHBondContact CA-OG1 3.38Å; H556-T559 PolarHBondContact O-OG1 3.37Å; H556-T559 VanDerWaalsContact O-OG1 3.07Å |
| 560 | S | 55.6 | Low | 54.4 | Low | 86 Ų | 86 | 116.9 Ų | 116.9 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -85.2 | -26.9 | 175.8 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | H556 H557 Q558 | H556-S560 WeakPolarHBondContact O-CB 3.49Å; H556-S560 PolarHBondContact O-N 2.87Å; H556-S560 PolarHBondContact O-OG 3.4Å; H557-S560 WeakPolarHBondContact CA-OG 3.47Å; H557-S560 PolarHBondContact O-N 3.2Å; H557-S560 PolarHBondContact O-OG 3.03Å; Q558-S560 VanDerWaalsContact C-N 3.34Å; Q558-S560 PolarHBondContact O-N 3.12Å |
| 561 | S | 54 | Low | 52 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.1 | -23.5 | 176.6 | 64 | 0 | 0 | 0 | 0 | 114.2 | H557 Q558 | H557-S561 WeakPolarHBondContact O-CB 3.33Å; H557-S561 PolarHBondContact O-N 3.34Å; H557-S561 PolarHBondContact O-OG 3.4Å; H557-S561 VanDerWaalsContact O-OG 3.07Å; Q558-S561 PolarHBondContact O-OG 2.98Å |
| 562 | S | 45.8 | Very low | 50.3 | Low | 93 Ų | 93 | 119 Ų | 119 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -105.1 | 14.5 | -169.8 | -57.8 | 0 | 0 | 0 | 0 | 114.8 | Q558 | Q558-S562 WeakPolarHBondContact O-CB 3.29Å; Q558-S562 PolarHBondContact O-N 2.86Å; Q558-S562 PolarHBondContact O-OG 3.45Å |
| 563 | L | 41 | Very low | 48.8 | Very low | 164 Ų | 164 | 116.1 Ų | 116.1 | 86% | 0.859 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -95.2 | 10.8 | 175.7 | -136.5 | 82.8 | 0 | 0 | 0 | 114.2 | ||
| 564 | G | 34.6 | Very low | 47.7 | Very low | 57 Ų | 57 | 117.7 Ų | 117.7 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -113.6 | 120.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 565 | E | 33.3 | Very low | 46.6 | Very low | 187 Ų | 187 | 121.1 Ų | 121.1 | 87% | 0.874 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 94.1 | 92.4 | 167.7 | -54.7 | -174.8 | 176 | 0 | 0 | 118.1 | ||
| 566 | V | 31.5 | Very low | 45.9 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | 61 | 104.3 | 125.2 | -175.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 567 | E | 26.1 | Very low | 45.7 | Very low | 172 Ų | 172 | 119.1 Ų | 119.1 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | 39.4 | 133.5 | 124.7 | -54.6 | -177.8 | 152.9 | 0 | 0 | 119.3 | |||||
| 568 | S | 29.6 | Very low | 46 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | 108.5 | 120.6 | 137.4 | 72.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 569 | S | 28 | Very low | 46.4 | Very low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | 93.7 | 106.7 | 150.7 | 69.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 570 | S | 30.1 | Very low | 47.3 | Very low | 103 Ų | 103 | 115 Ų | 115 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | 71.3 | 102.4 | 135.6 | 51.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 571 | T | 34 | Very low | 48.3 | Very low | 134 Ų | 134 | 116 Ų | 116 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | 1.2 | 154.5 | 117.4 | 17 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 572 | P | 45.4 | Very low | 49.5 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | cis | -130.5 | 116.1 | -19.8 | 32.3 | -11.8 | 0 | 0 | 0 | 112.3 | ||||
| 573 | G | 47.5 | Very low | 50.9 | Low | 47 Ų | 47 | 117.8 Ų | 117.8 | 49% | 0.485 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -116.7 | -28.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q575 L576 | G573-Q575 PolarHBondContact O-N 3.18Å; G573-L576 PolarHBondContact O-N 3.05Å |
| 574 | N | 57 | Low | 52.8 | Low | 127 Ų | 127 | 113.6 Ų | 113.6 | 68% | 0.679 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.4 | -25.8 | -162.2 | -61.1 | 8 | 0 | 0 | 0 | 115 | L576 E578 | N574-L576 VanDerWaalsContact C-N 3.33Å; N574-L576 PolarHBondContact O-N 3.46Å; N574-E578 WeakPolarHBondContact O-CB 3.4Å; N574-E578 PolarHBondContact O-N 2.8Å; N574-E578 VanDerWaalsContact O-N 3.13Å |
| 575 | Q | 55.1 | Low | 55 | Low | 169 Ų | 169 | 118.2 Ų | 118.2 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.2 | -29.1 | 178.3 | -73 | -175.8 | -3.1 | 0 | 0 | 112.7 | G573 S579 | G573-Q575 PolarHBondContact O-N 3.18Å; Q575-S579 WeakPolarHBondContact O-CB 3.28Å; Q575-S579 PolarHBondContact O-N 3.18Å |
| 576 | L | 57.9 | Low | 57.3 | Low | 130 Ų | 130 | 113.9 Ų | 113.9 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74 | -43.9 | 177.8 | -162.7 | 76.8 | 0 | 0 | 0 | 110.3 | G573 N574 S579 V580 | G573-L576 PolarHBondContact O-N 3.05Å; N574-L576 VanDerWaalsContact C-N 3.33Å; N574-L576 PolarHBondContact O-N 3.46Å; L576-S579 PolarHBondContact O-N 2.95Å; L576-S579 PolarHBondContact O-OG 3.36Å; L576-V580 VanDerWaalsContact O-CG2 3.28Å; L576-V580 WeakPolarHBondContact O-CG2 3.47Å; L576-V580 PolarHBondContact O-N 2.77Å |
| 577 | E | 67 | Low | 59.7 | Low | 133 Ų | 133 | 113.5 Ų | 113.5 | 62% | 0.621 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.7 | -42.7 | 179.6 | -163.2 | 168.8 | -160 | 0 | 0 | 111.9 | S579 V580 D581 | E577-S579 VanDerWaalsContact C-N 3.33Å; E577-S579 PolarHBondContact O-N 3.02Å; E577-V580 PolarHBondContact O-N 2.85Å; E577-D581 PolarHBondContact O-N 2.84Å |
| 578 | E | 70.8 | Confident | 62.4 | Low | 143 Ų | 143 | 113.5 Ų | 113.5 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.4 | -35.6 | 176 | -154.4 | 170.6 | -152.9 | 0 | 0 | 112 | N574 Q582 | N574-E578 WeakPolarHBondContact O-CB 3.4Å; N574-E578 PolarHBondContact O-N 2.8Å; N574-E578 VanDerWaalsContact O-N 3.13Å; E578-Q582 WeakPolarHBondContact O-CB 3.26Å; E578-Q582 PolarHBondContact O-N 3.45Å; E578-Q582 VanDerWaalsContact O-N 3.1Å |
| 579 | S | 71.4 | Confident | 65 | Low | 54 Ų | 54 | 113.4 Ų | 113.4 | 38% | 0.378 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.4 | -35.3 | 173.4 | 84.1 | 0 | 0 | 0 | 0 | 113 | Q575 L576 E577 Q582 C583 | Q575-S579 WeakPolarHBondContact O-CB 3.28Å; Q575-S579 PolarHBondContact O-N 3.18Å; L576-S579 PolarHBondContact O-N 2.95Å; L576-S579 PolarHBondContact O-OG 3.36Å; E577-S579 VanDerWaalsContact C-N 3.33Å; E577-S579 PolarHBondContact O-N 3.02Å; S579-Q582 PolarHBondContact O-N 2.97Å; S579-C583 WeakPolarHBondContact O-CB 3.35Å; S579-C583 PolarHBondContact O-N 3.35Å |
| 580 | V | 77.3 | Confident | 67.6 | Low | 74 Ų | 74 | 113.3 Ų | 113.3 | 45% | 0.448 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.3 | -42.4 | 177.4 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | L576 E577 Q582 C583 L584 | L576-V580 VanDerWaalsContact O-CG2 3.28Å; L576-V580 WeakPolarHBondContact O-CG2 3.47Å; L576-V580 PolarHBondContact O-N 2.77Å; E577-V580 PolarHBondContact O-N 2.85Å; V580-Q582 VanDerWaalsContact C-N 3.32Å; V580-Q582 PolarHBondContact O-N 2.75Å; V580-C583 PolarHBondContact O-N 2.95Å; V580-L584 HydrophobicContact CG1-CD1 4.09Å; V580-L584 WeakPolarHBondContact O-CG 3.44Å; V580-L584 PolarHBondContact O-N 2.97Å |
| 581 | D | 76.8 | Confident | 70.1 | Confident | 105 Ų | 105 | 112.2 Ų | 112.2 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.8 | -38.5 | 175.2 | -101.3 | 1 | 0 | 0 | 0 | 112.3 | E577 L584 K585 | E577-D581 PolarHBondContact O-N 2.84Å; D581-L584 PolarHBondContact O-N 3.2Å; D581-K585 PolarHBondContact O-N 3.21Å |
| 582 | Q | 79 | Confident | 72.3 | Confident | 134 Ų | 134 | 108.3 Ų | 108.3 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.3 | -39.6 | 176.6 | -154.8 | 166.4 | 22.6 | 0 | 0 | 111.7 | E578 S579 V580 K585 L586 | E578-Q582 WeakPolarHBondContact O-CB 3.26Å; E578-Q582 PolarHBondContact O-N 3.45Å; E578-Q582 VanDerWaalsContact O-N 3.1Å; S579-Q582 PolarHBondContact O-N 2.97Å; V580-Q582 VanDerWaalsContact C-N 3.32Å; V580-Q582 PolarHBondContact O-N 2.75Å; Q582-K585 PolarHBondContact O-N 2.99Å; Q582-L586 WeakPolarHBondContact O-CG 3.25Å; Q582-L586 PolarHBondContact O-N 3.23Å |
| 583 | C | 74.6 | Confident | 74.2 | Confident | 83 Ų | 83 | 110.1 Ų | 110.1 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.8 | -42.6 | 171.8 | -83 | 0 | 0 | 0 | 0 | 112.4 | S579 V580 L586 Q587 | S579-C583 WeakPolarHBondContact O-CB 3.35Å; S579-C583 PolarHBondContact O-N 3.35Å; V580-C583 PolarHBondContact O-N 2.95Å; C583-L586 PolarHBondContact O-N 3.42Å; C583-Q587 WeakPolarHBondContact O-CB 3.3Å; C583-Q587 PolarHBondContact O-N 3.5Å |
| 584 | L | 81.6 | Confident | 76 | Confident | 76 Ų | 76 | 113.7 Ų | 113.7 | 40% | 0.398 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.5 | -43.4 | 176.3 | -76.4 | 168.8 | 0 | 0 | 0 | 111.6 | V580 D581 L586 Q587 Y588 | V580-L584 HydrophobicContact CG1-CD1 4.09Å; V580-L584 WeakPolarHBondContact O-CG 3.44Å; V580-L584 PolarHBondContact O-N 2.97Å; D581-L584 PolarHBondContact O-N 3.2Å; L584-L586 PolarHBondContact O-N 2.79Å; L584-Q587 PolarHBondContact O-N 2.95Å; L584-Y588 VanDerWaalsContact O-CD2 3.26Å; L584-Y588 WeakPolarHBondContact O-CD2 3.5Å; L584-Y588 PolarHBondContact O-N 3.43Å |
| 585 | K | 80 | Confident | 77.2 | Confident | 154 Ų | 154 | 111.3 Ų | 111.3 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.7 | -46 | 174.1 | -94 | 178.1 | 178.3 | 169.4 | 0 | 112.4 | D581 Q582 Q587 Y588 Q589 | D581-K585 PolarHBondContact O-N 3.21Å; Q582-K585 PolarHBondContact O-N 2.99Å; K585-Q587 VanDerWaalsContact C-N 3.32Å; K585-Y588 PolarHBondContact O-N 2.89Å; K585-Q589 WeakPolarHBondContact O-CG 3.25Å; K585-Q589 PolarHBondContact O-N 3.47Å |
| 586 | L | 82.2 | Confident | 78.7 | Confident | 95 Ų | 95 | 109.8 Ų | 109.8 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.9 | -37.8 | 177.5 | -74.8 | 170.9 | 0 | 0 | 0 | 111.6 | Q582 C583 L584 Q589 L590 | Q582-L586 WeakPolarHBondContact O-CG 3.25Å; Q582-L586 PolarHBondContact O-N 3.23Å; C583-L586 PolarHBondContact O-N 3.42Å; L584-L586 PolarHBondContact O-N 2.79Å; L586-Q589 PolarHBondContact O-N 3.03Å; L586-L590 WeakPolarHBondContact O-CB 3.4Å; L586-L590 WeakPolarHBondContact O-CG 3.22Å; L586-L590 PolarHBondContact O-N 2.91Å |
| 587 | Q | 81.6 | Confident | 80.1 | Confident | 113 Ų | 113 | 109.8 Ų | 109.8 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 175.9 | -171.8 | 167 | 4.2 | 0 | 0 | 112.4 | C583 L584 K585 L590 N591 | C583-Q587 WeakPolarHBondContact O-CB 3.3Å; C583-Q587 PolarHBondContact O-N 3.5Å; L584-Q587 PolarHBondContact O-N 2.95Å; K585-Q587 VanDerWaalsContact C-N 3.32Å; Q587-L590 PolarHBondContact O-N 3.47Å; Q587-N591 WeakPolarHBondContact O-CB 3.34Å; Q587-N591 VanDerWaalsContact O-CG 3.27Å; Q587-N591 PolarHBondContact O-N 3.21Å |
| 588 | Y | 83.1 | Confident | 81 | Confident | 173 Ų | 173 | 110 Ų | 110 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 172.7 | -88.6 | -73.1 | 0 | 0 | 0 | 112.3 | L584 K585 A592 | L584-Y588 VanDerWaalsContact O-CD2 3.26Å; L584-Y588 WeakPolarHBondContact O-CD2 3.5Å; L584-Y588 PolarHBondContact O-N 3.43Å; K585-Y588 PolarHBondContact O-N 2.89Å; Y588-A592 WeakPolarHBondContact O-CB 3.26Å; Y588-A592 PolarHBondContact O-N 3.44Å |
| 589 | Q | 83.9 | Confident | 81.6 | Confident | 108 Ų | 108 | 106.4 Ų | 106.4 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 175.2 | -74.8 | -179.7 | -10.3 | 0 | 0 | 111.4 | K585 L586 A592 Y593 | K585-Q589 WeakPolarHBondContact O-CG 3.25Å; K585-Q589 PolarHBondContact O-N 3.47Å; L586-Q589 PolarHBondContact O-N 3.03Å; Q589-A592 PolarHBondContact O-N 3.39Å; Q589-Y593 HydrophobicContact CB-CD2 4.48Å; Q589-Y593 HydrophobicContact CB-CE2 4.39Å; Q589-Y593 WeakPolarHBondContact O-CD2 3.35Å; Q589-Y593 PolarHBondContact O-N 3.4Å |
| 590 | L | 83 | Confident | 82.4 | Confident | 106 Ų | 106 | 108.6 Ų | 108.6 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.1 | -47.8 | 176.1 | -83.5 | 166.8 | 0 | 0 | 0 | 111.7 | L586 Q587 A592 Y593 E594 | L586-L590 WeakPolarHBondContact O-CB 3.4Å; L586-L590 WeakPolarHBondContact O-CG 3.22Å; L586-L590 PolarHBondContact O-N 2.91Å; Q587-L590 PolarHBondContact O-N 3.47Å; L590-A592 VanDerWaalsContact C-N 3.29Å; L590-A592 PolarHBondContact O-N 2.9Å; L590-Y593 PolarHBondContact O-N 3.02Å; L590-Y593 VanDerWaalsContact O-N 3.12Å; L590-E594 PolarHBondContact O-N 3.28Å |
| 591 | N | 82.2 | Confident | 82.7 | Confident | 80 Ų | 80 | 108.5 Ų | 108.5 | 43% | 0.428 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.6 | -70.3 | -8.9 | 0 | 0 | 0 | 112.2 | Q587 E594 S595 | Q587-N591 WeakPolarHBondContact O-CB 3.34Å; Q587-N591 VanDerWaalsContact O-CG 3.27Å; Q587-N591 PolarHBondContact O-N 3.21Å; N591-E594 PolarHBondContact O-N 3.14Å; N591-S595 WeakPolarHBondContact O-CB 3.39Å; N591-S595 PolarHBondContact O-N 2.9Å |
| 592 | A | 81.1 | Confident | 82.9 | Confident | 52 Ų | 52 | 107.5 Ų | 107.5 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y588 Q589 L590 K596 | Y588-A592 WeakPolarHBondContact O-CB 3.26Å; Y588-A592 PolarHBondContact O-N 3.44Å; Q589-A592 PolarHBondContact O-N 3.39Å; L590-A592 VanDerWaalsContact C-N 3.29Å; L590-A592 PolarHBondContact O-N 2.9Å; A592-K596 WeakPolarHBondContact O-CG 3.37Å; A592-K596 PolarHBondContact O-N 3.45Å; A592-K596 VanDerWaalsContact O-N 3.14Å |
| 593 | Y | 85.4 | Confident | 83 | Confident | 156 Ų | 156 | 107.6 Ų | 107.6 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.3 | -40.7 | 173.7 | -77.8 | -63.7 | 0 | 0 | 0 | 112.1 | Q589 L590 K596 F597 | Q589-Y593 HydrophobicContact CB-CD2 4.48Å; Q589-Y593 HydrophobicContact CB-CE2 4.39Å; Q589-Y593 WeakPolarHBondContact O-CD2 3.35Å; Q589-Y593 PolarHBondContact O-N 3.4Å; L590-Y593 PolarHBondContact O-N 3.02Å; L590-Y593 VanDerWaalsContact O-N 3.12Å; Y593-K596 PolarHBondContact O-N 3.24Å; Y593-F597 WeakPolarHBondContact O-CB 3.26Å; Y593-F597 PolarHBondContact O-N 3.45Å |
| 594 | E | 85.7 | Confident | 83.6 | Confident | 122 Ų | 122 | 107.9 Ų | 107.9 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -46.1 | 174.9 | -77.9 | -177.9 | 167.7 | 0 | 0 | 111.4 | L590 N591 K596 F597 E598 | L590-E594 PolarHBondContact O-N 3.28Å; N591-E594 PolarHBondContact O-N 3.14Å; E594-K596 VanDerWaalsContact C-N 3.34Å; E594-K596 PolarHBondContact O-N 3.07Å; E594-F597 WeakPolarHBondContact O-CB 3.46Å; E594-F597 PolarHBondContact O-N 3.37Å; E594-F597 VanDerWaalsContact O-N 3.14Å; E594-E598 WeakPolarHBondContact O-CB 3.34Å; E594-E598 PolarHBondContact O-N 3.25Å |
| 595 | S | 82.3 | Confident | 83.7 | Confident | 78 Ų | 78 | 107.1 Ų | 107.1 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | N591 S599 | N591-S595 WeakPolarHBondContact O-CB 3.39Å; N591-S595 PolarHBondContact O-N 2.9Å; S595-S599 WeakPolarHBondContact O-CB 3.42Å; S595-S599 PolarHBondContact O-N 3.23Å |
| 596 | K | 86.6 | Confident | 84 | Confident | 136 Ų | 136 | 104.2 Ų | 104.2 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 172.8 | -77.4 | 177.7 | -178.9 | 178.7 | 0 | 112 | A592 Y593 E594 S599 I600 | A592-K596 WeakPolarHBondContact O-CG 3.37Å; A592-K596 PolarHBondContact O-N 3.45Å; A592-K596 VanDerWaalsContact O-N 3.14Å; Y593-K596 PolarHBondContact O-N 3.24Å; E594-K596 VanDerWaalsContact C-N 3.34Å; E594-K596 PolarHBondContact O-N 3.07Å; K596-S599 PolarHBondContact O-N 3.41Å; K596-I600 VanDerWaalsContact O-CG1 3.3Å; K596-I600 WeakPolarHBondContact O-CG1 3.25Å; K596-I600 PolarHBondContact O-N 3.01Å |
| 597 | F | 87.1 | Confident | 83.8 | Confident | 131 Ų | 131 | 105.2 Ų | 105.2 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 178.3 | -172.3 | -104.1 | 0 | 0 | 0 | 111.7 | Y593 E594 I600 N601 | Y593-F597 WeakPolarHBondContact O-CB 3.26Å; Y593-F597 PolarHBondContact O-N 3.45Å; E594-F597 WeakPolarHBondContact O-CB 3.46Å; E594-F597 PolarHBondContact O-N 3.37Å; E594-F597 VanDerWaalsContact O-N 3.14Å; F597-I600 PolarHBondContact O-N 2.9Å; F597-N601 VanDerWaalsContact CD1-ND2 3.32Å; F597-N601 WeakPolarHBondContact CD1-ND2 3.49Å; F597-N601 WeakPolarHBondContact CE1-ND2 3.38Å; F597-N601 WeakPolarHBondContact O-CB 3.45Å; F597-N601 PolarHBondContact O-N 3.31Å; F597-N601 PolarHBondContact O-ND2 2.99Å |
| 598 | E | 85.6 | Confident | 83.8 | Confident | 137 Ų | 137 | 104.3 Ų | 104.3 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.9 | -38.5 | 176.2 | -147.4 | 166.6 | -153.2 | 0 | 0 | 111.8 | E594 N601 T602 | E594-E598 WeakPolarHBondContact O-CB 3.34Å; E594-E598 PolarHBondContact O-N 3.25Å; E598-N601 PolarHBondContact O-N 2.96Å; E598-T602 WeakPolarHBondContact O-CG2 3.44Å; E598-T602 PolarHBondContact O-N 3.27Å; E598-T602 PolarHBondContact O-OG1 3.46Å |
| 599 | S | 84 | Confident | 83.9 | Confident | 67 Ų | 67 | 99.4 Ų | 99.4 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 171.7 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | S595 K596 T602 Q603 | S595-S599 WeakPolarHBondContact O-CB 3.42Å; S595-S599 PolarHBondContact O-N 3.23Å; K596-S599 PolarHBondContact O-N 3.41Å; S599-T602 WeakPolarHBondContact CA-OG1 3.41Å; S599-T602 PolarHBondContact O-OG1 3.03Å; S599-Q603 WeakPolarHBondContact O-CB 3.44Å; S599-Q603 PolarHBondContact O-N 3.18Å; S599-Q603 VanDerWaalsContact O-N 3.12Å |
| 600 | I | 88.1 | Confident | 83.7 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.7 | -42.2 | 177.4 | -69.7 | 165.5 | 0 | 0 | 0 | 110.3 | K596 F597 T602 Q603 L604 | K596-I600 VanDerWaalsContact O-CG1 3.3Å; K596-I600 WeakPolarHBondContact O-CG1 3.25Å; K596-I600 PolarHBondContact O-N 3.01Å; F597-I600 PolarHBondContact O-N 2.9Å; I600-T602 PolarHBondContact O-N 2.94Å; I600-Q603 PolarHBondContact O-N 3.22Å; I600-L604 WeakPolarHBondContact O-CB 3.46Å; I600-L604 PolarHBondContact O-N 3.19Å |
| 601 | N | 82.3 | Confident | 83.5 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 178.3 | -79.4 | -23.6 | 0 | 0 | 0 | 112.7 | F597 E598 A605 | F597-N601 VanDerWaalsContact CD1-ND2 3.32Å; F597-N601 WeakPolarHBondContact CD1-ND2 3.49Å; F597-N601 WeakPolarHBondContact CE1-ND2 3.38Å; F597-N601 WeakPolarHBondContact O-CB 3.45Å; F597-N601 PolarHBondContact O-N 3.31Å; F597-N601 PolarHBondContact O-ND2 2.99Å; E598-N601 PolarHBondContact O-N 2.96Å; N601-A605 VanDerWaalsContact O-CB 3.28Å; N601-A605 WeakPolarHBondContact O-CB 3.36Å; N601-A605 PolarHBondContact O-N 2.89Å |
| 602 | T | 81.9 | Confident | 83.4 | Confident | 84 Ų | 84 | 101.9 Ų | 101.9 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 174.2 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | E598 S599 I600 A605 V606 | E598-T602 WeakPolarHBondContact O-CG2 3.44Å; E598-T602 PolarHBondContact O-N 3.27Å; E598-T602 PolarHBondContact O-OG1 3.46Å; S599-T602 WeakPolarHBondContact CA-OG1 3.41Å; S599-T602 PolarHBondContact O-OG1 3.03Å; I600-T602 PolarHBondContact O-N 2.94Å; T602-A605 PolarHBondContact O-N 2.96Å; T602-V606 WeakPolarHBondContact O-CG2 3.3Å; T602-V606 PolarHBondContact O-N 2.95Å |
| 603 | Q | 81.5 | Confident | 83.3 | Confident | 136 Ų | 136 | 105.9 Ų | 105.9 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.6 | -44.8 | 175.5 | -164.6 | 170.9 | 7.2 | 0 | 0 | 112.1 | S599 I600 A605 V606 E607 | S599-Q603 WeakPolarHBondContact O-CB 3.44Å; S599-Q603 PolarHBondContact O-N 3.18Å; S599-Q603 VanDerWaalsContact O-N 3.12Å; I600-Q603 PolarHBondContact O-N 3.22Å; Q603-A605 VanDerWaalsContact C-N 3.33Å; Q603-A605 PolarHBondContact O-N 2.71Å; Q603-V606 PolarHBondContact O-N 3.2Å; Q603-E607 PolarHBondContact O-N 3.43Å |
| 604 | L | 87.5 | Confident | 82.9 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 175.4 | -165.3 | 82.4 | 0 | 0 | 0 | 111.7 | I600 E607 L608 | I600-L604 WeakPolarHBondContact O-CB 3.46Å; I600-L604 PolarHBondContact O-N 3.19Å; L604-E607 PolarHBondContact O-N 2.91Å; L604-L608 HydrophobicContact CD2-CD1 4.44Å; L604-L608 HydrophobicContact CG-CD1 4.28Å; L604-L608 WeakPolarHBondContact O-CB 3.32Å; L604-L608 WeakPolarHBondContact O-CG 3.44Å; L604-L608 PolarHBondContact O-N 3.17Å |
| 605 | A | 83.9 | Confident | 82.5 | Confident | 59 Ų | 59 | 101.6 Ų | 101.6 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N601 T602 Q603 S609 | N601-A605 VanDerWaalsContact O-CB 3.28Å; N601-A605 WeakPolarHBondContact O-CB 3.36Å; N601-A605 PolarHBondContact O-N 2.89Å; T602-A605 PolarHBondContact O-N 2.96Å; Q603-A605 VanDerWaalsContact C-N 3.33Å; Q603-A605 PolarHBondContact O-N 2.71Å; A605-S609 WeakPolarHBondContact O-CB 3.24Å; A605-S609 PolarHBondContact O-N 2.73Å |
| 606 | V | 84.3 | Confident | 82.2 | Confident | 93 Ų | 93 | 101 Ų | 101 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | T602 Q603 S609 L610 | T602-V606 WeakPolarHBondContact O-CG2 3.3Å; T602-V606 PolarHBondContact O-N 2.95Å; Q603-V606 PolarHBondContact O-N 3.2Å; V606-S609 WeakPolarHBondContact O-CB 3.4Å; V606-S609 PolarHBondContact O-N 3.24Å; V606-L610 PolarHBondContact O-N 2.93Å |
| 607 | E | 79.5 | Confident | 81.8 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | -179.4 | -154.3 | 171.8 | -156.4 | 0 | 0 | 111.8 | Q603 L604 S609 L610 I611 | Q603-E607 PolarHBondContact O-N 3.43Å; L604-E607 PolarHBondContact O-N 2.91Å; E607-S609 VanDerWaalsContact C-N 3.33Å; E607-S609 PolarHBondContact O-N 3.24Å; E607-L610 PolarHBondContact O-N 3.42Å; E607-L610 VanDerWaalsContact O-N 3.17Å; E607-I611 HydrophobicContact CG-CD1 4.48Å; E607-I611 VanDerWaalsContact O-CG1 3.31Å; E607-I611 WeakPolarHBondContact O-CG1 3.39Å; E607-I611 PolarHBondContact O-N 3.03Å |
| 608 | L | 80.6 | Confident | 81.1 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 172.8 | -75.1 | 171 | 0 | 0 | 0 | 112.6 | L604 K612 | L604-L608 HydrophobicContact CD2-CD1 4.44Å; L604-L608 HydrophobicContact CG-CD1 4.28Å; L604-L608 WeakPolarHBondContact O-CB 3.32Å; L604-L608 WeakPolarHBondContact O-CG 3.44Å; L604-L608 PolarHBondContact O-N 3.17Å; L608-K612 WeakPolarHBondContact O-CB 3.49Å; L608-K612 WeakPolarHBondContact O-CG 3.31Å; L608-K612 PolarHBondContact O-N 3.06Å |
| 609 | S | 84.8 | Confident | 80.6 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 172.5 | 136.8 | 0 | 0 | 0 | 0 | 111.3 | A605 V606 E607 K612 Q613 | A605-S609 WeakPolarHBondContact O-CB 3.24Å; A605-S609 PolarHBondContact O-N 2.73Å; V606-S609 WeakPolarHBondContact O-CB 3.4Å; V606-S609 PolarHBondContact O-N 3.24Å; E607-S609 VanDerWaalsContact C-N 3.33Å; E607-S609 PolarHBondContact O-N 3.24Å; S609-K612 PolarHBondContact O-N 3.41Å; S609-Q613 PolarHBondContact O-N 3.4Å; S609-Q613 VanDerWaalsContact O-N 3.08Å |
| 610 | L | 80.4 | Confident | 80.4 | Confident | 84 Ų | 84 | 99.9 Ų | 99.9 | 44% | 0.44 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -38.1 | -178.1 | -146.8 | 120.2 | 0 | 0 | 0 | 112.1 | V606 E607 Q613 K614 | V606-L610 PolarHBondContact O-N 2.93Å; E607-L610 PolarHBondContact O-N 3.42Å; E607-L610 VanDerWaalsContact O-N 3.17Å; L610-Q613 PolarHBondContact O-N 3.17Å; L610-K614 WeakPolarHBondContact O-CG 3.44Å; L610-K614 PolarHBondContact O-N 2.8Å |
| 611 | I | 79.1 | Confident | 80 | Confident | 102 Ų | 102 | 101.2 Ų | 101.2 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 174.3 | -68.4 | 166.5 | 0 | 0 | 0 | 110.6 | E607 Q613 K614 S615 | E607-I611 HydrophobicContact CG-CD1 4.48Å; E607-I611 VanDerWaalsContact O-CG1 3.31Å; E607-I611 WeakPolarHBondContact O-CG1 3.39Å; E607-I611 PolarHBondContact O-N 3.03Å; I611-Q613 VanDerWaalsContact C-N 3.33Å; I611-Q613 PolarHBondContact O-N 2.87Å; I611-K614 PolarHBondContact O-N 2.87Å; I611-S615 PolarHBondContact O-N 3.09Å |
| 612 | K | 79.5 | Confident | 79.9 | Confident | 160 Ų | 160 | 102.7 Ų | 102.7 | 70% | 0.696 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 175.6 | -78.4 | 178.8 | 179.2 | -179.9 | 0 | 112.4 | L608 S609 S615 S616 | L608-K612 WeakPolarHBondContact O-CB 3.49Å; L608-K612 WeakPolarHBondContact O-CG 3.31Å; L608-K612 PolarHBondContact O-N 3.06Å; S609-K612 PolarHBondContact O-N 3.41Å; K612-S615 WeakPolarHBondContact O-CB 2.91Å; K612-S615 PolarHBondContact O-N 2.84Å; K612-S616 PolarHBondContact O-N 3.24Å; K612-S616 VanDerWaalsContact O-N 3.12Å |
| 613 | Q | 78.8 | Confident | 80 | Confident | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 176.3 | -170.3 | -178.2 | 10.3 | 0 | 0 | 112.6 | S609 L610 I611 S616 L617 | S609-Q613 PolarHBondContact O-N 3.4Å; S609-Q613 VanDerWaalsContact O-N 3.08Å; L610-Q613 PolarHBondContact O-N 3.17Å; I611-Q613 VanDerWaalsContact C-N 3.33Å; I611-Q613 PolarHBondContact O-N 2.87Å; Q613-S616 PolarHBondContact O-OG 3.26Å; Q613-L617 PolarHBondContact O-N 2.82Å |
| 614 | K | 76.8 | Confident | 80 | Confident | 131 Ų | 131 | 101.7 Ų | 101.7 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.9 | -38.1 | 174.3 | -75.7 | 180 | 178.4 | 176.7 | 0 | 112 | L610 I611 L617 N618 | L610-K614 WeakPolarHBondContact O-CG 3.44Å; L610-K614 PolarHBondContact O-N 2.8Å; I611-K614 PolarHBondContact O-N 2.87Å; K614-L617 PolarHBondContact O-N 3.25Å; K614-N618 PolarHBondContact O-N 3.28Å; K614-N618 VanDerWaalsContact O-N 3.1Å |
| 615 | S | 78.1 | Confident | 79.5 | Confident | 57 Ų | 57 | 100.4 Ų | 100.4 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 175.3 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | I611 K612 L617 N618 E619 | I611-S615 PolarHBondContact O-N 3.09Å; K612-S615 WeakPolarHBondContact O-CB 2.91Å; K612-S615 PolarHBondContact O-N 2.84Å; S615-L617 VanDerWaalsContact C-N 3.34Å; S615-L617 PolarHBondContact O-N 3.04Å; S615-N618 PolarHBondContact O-N 2.91Å; S615-E619 PolarHBondContact O-N 3.44Å |
| 616 | S | 75.5 | Confident | 79.5 | Confident | 66 Ų | 66 | 102.6 Ų | 102.6 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | -179.5 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | K612 Q613 N618 E619 E620 | K612-S616 PolarHBondContact O-N 3.24Å; K612-S616 VanDerWaalsContact O-N 3.12Å; Q613-S616 PolarHBondContact O-OG 3.26Å; S616-N618 VanDerWaalsContact C-N 3.34Å; S616-E619 PolarHBondContact O-N 3.31Å; S616-E620 PolarHBondContact O-N 3.43Å; S616-E620 VanDerWaalsContact O-N 3.16Å |
| 617 | L | 77.8 | Confident | 79.5 | Confident | 90 Ų | 90 | 103.6 Ų | 103.6 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | 176.7 | -170.9 | 69.1 | 0 | 0 | 0 | 112.1 | Q613 K614 S615 K621 | Q613-L617 PolarHBondContact O-N 2.82Å; K614-L617 PolarHBondContact O-N 3.25Å; S615-L617 VanDerWaalsContact C-N 3.34Å; S615-L617 PolarHBondContact O-N 3.04Å; L617-K621 PolarHBondContact O-N 2.96Å |
| 618 | N | 72.1 | Confident | 79.8 | Confident | 105 Ų | 105 | 102.5 Ų | 102.5 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.3 | -36.5 | 176.1 | -77 | -12.3 | 0 | 0 | 0 | 112.2 | K614 S615 S616 E620 K621 L622 | K614-N618 PolarHBondContact O-N 3.28Å; K614-N618 VanDerWaalsContact O-N 3.1Å; S615-N618 PolarHBondContact O-N 2.91Å; S616-N618 VanDerWaalsContact C-N 3.34Å; N618-E620 VanDerWaalsContact C-N 3.34Å; N618-K621 PolarHBondContact O-N 2.92Å; N618-L622 WeakPolarHBondContact O-CB 3.42Å; N618-L622 PolarHBondContact O-N 3.25Å |
| 619 | E | 76.5 | Confident | 80 | Confident | 130 Ų | 130 | 102.2 Ų | 102.2 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -39.4 | 174 | -75.1 | 175.5 | -174.1 | 0 | 0 | 111.9 | S615 S616 L622 S623 | S615-E619 PolarHBondContact O-N 3.44Å; S616-E619 PolarHBondContact O-N 3.31Å; E619-L622 PolarHBondContact O-N 2.93Å; E619-S623 WeakPolarHBondContact O-CB 3.29Å; E619-S623 PolarHBondContact O-N 3.35Å |
| 620 | E | 79.6 | Confident | 80.1 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -46.5 | 175.9 | -166.5 | 172.9 | -162.1 | 0 | 0 | 111.7 | S616 N618 L622 S623 E624 | S616-E620 PolarHBondContact O-N 3.43Å; S616-E620 VanDerWaalsContact O-N 3.16Å; N618-E620 VanDerWaalsContact C-N 3.34Å; E620-L622 PolarHBondContact O-N 3.21Å; E620-S623 WeakPolarHBondContact O-CB 3.44Å; E620-S623 PolarHBondContact O-N 2.9Å; E620-E624 PolarHBondContact O-N 3.5Å |
| 621 | K | 79.3 | Confident | 80.3 | Confident | 128 Ų | 128 | 105.3 Ų | 105.3 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65 | -36.7 | 176.1 | -73.3 | -171.9 | 176.3 | -173.3 | 0 | 113.5 | L617 N618 S623 E624 S625 | L617-K621 PolarHBondContact O-N 2.96Å; N618-K621 PolarHBondContact O-N 2.92Å; K621-S623 VanDerWaalsContact C-N 3.33Å; K621-E624 PolarHBondContact O-N 2.8Å; K621-S625 WeakPolarHBondContact O-CB 3.33Å; K621-S625 PolarHBondContact O-N 3.34Å |
| 622 | L | 81.4 | Confident | 80.6 | Confident | 103 Ų | 103 | 107 Ų | 107 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 176 | -175.8 | 65.2 | 0 | 0 | 0 | 110.6 | N618 E619 E620 S625 Q626 | N618-L622 WeakPolarHBondContact O-CB 3.42Å; N618-L622 PolarHBondContact O-N 3.25Å; E619-L622 PolarHBondContact O-N 2.93Å; E620-L622 PolarHBondContact O-N 3.21Å; L622-S625 PolarHBondContact O-N 3.16Å; L622-Q626 WeakPolarHBondContact O-CB 3.43Å; L622-Q626 VanDerWaalsContact O-CG 3.29Å; L622-Q626 WeakPolarHBondContact O-CG 3.45Å; L622-Q626 PolarHBondContact O-N 3.34Å |
| 623 | S | 82.3 | Confident | 81.1 | Confident | 65 Ų | 65 | 104.8 Ų | 104.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 174.9 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | E619 E620 K621 S625 Q626 Q627 | E619-S623 WeakPolarHBondContact O-CB 3.29Å; E619-S623 PolarHBondContact O-N 3.35Å; E620-S623 WeakPolarHBondContact O-CB 3.44Å; E620-S623 PolarHBondContact O-N 2.9Å; K621-S623 VanDerWaalsContact C-N 3.33Å; S623-S625 VanDerWaalsContact C-N 3.34Å; S623-S625 PolarHBondContact O-N 3.42Å; S623-Q626 PolarHBondContact O-N 2.89Å; S623-Q627 PolarHBondContact O-N 3.04Å |
| 624 | E | 81.9 | Confident | 81.6 | Confident | 133 Ų | 133 | 104.8 Ų | 104.8 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.8 | -44 | 174.6 | -75.2 | -176.4 | 165 | 0 | 0 | 112.2 | E620 K621 Q627 L628 | E620-E624 PolarHBondContact O-N 3.5Å; K621-E624 PolarHBondContact O-N 2.8Å; E624-Q627 WeakPolarHBondContact O-CB 3.46Å; E624-Q627 PolarHBondContact O-N 3.47Å; E624-L628 PolarHBondContact O-N 2.98Å |
| 625 | S | 77.8 | Confident | 82.2 | Confident | 64 Ų | 64 | 105.2 Ų | 105.2 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68 | -39 | 179.4 | -161.6 | 0 | 0 | 0 | 0 | 112.1 | K621 L622 S623 Q627 L628 I629 | K621-S625 WeakPolarHBondContact O-CB 3.33Å; K621-S625 PolarHBondContact O-N 3.34Å; L622-S625 PolarHBondContact O-N 3.16Å; S623-S625 VanDerWaalsContact C-N 3.34Å; S623-S625 PolarHBondContact O-N 3.42Å; S625-Q627 VanDerWaalsContact C-N 3.32Å; S625-Q627 PolarHBondContact O-N 3.25Å; S625-L628 PolarHBondContact O-N 2.9Å; S625-I629 VanDerWaalsContact O-CG1 3.32Å; S625-I629 WeakPolarHBondContact O-CG1 3.31Å; S625-I629 PolarHBondContact O-N 3.44Å |
| 626 | Q | 83 | Confident | 82.6 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 173.8 | -76.2 | 177.5 | -5 | 0 | 0 | 112.6 | L622 S623 K630 | L622-Q626 WeakPolarHBondContact O-CB 3.43Å; L622-Q626 VanDerWaalsContact O-CG 3.29Å; L622-Q626 WeakPolarHBondContact O-CG 3.45Å; L622-Q626 PolarHBondContact O-N 3.34Å; S623-Q626 PolarHBondContact O-N 2.89Å; Q626-K630 WeakPolarHBondContact O-CG 3.28Å; Q626-K630 PolarHBondContact O-N 3.5Å |
| 627 | Q | 84.8 | Confident | 83.2 | Confident | 115 Ų | 115 | 108.1 Ų | 108.1 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 174.4 | -154.2 | 83.5 | -4.4 | 0 | 0 | 111 | S623 E624 S625 I629 K630 D631 | S623-Q627 PolarHBondContact O-N 3.04Å; E624-Q627 WeakPolarHBondContact O-CB 3.46Å; E624-Q627 PolarHBondContact O-N 3.47Å; S625-Q627 VanDerWaalsContact C-N 3.32Å; S625-Q627 PolarHBondContact O-N 3.25Å; Q627-I629 VanDerWaalsContact C-N 3.34Å; Q627-I629 PolarHBondContact O-N 3.04Å; Q627-K630 PolarHBondContact O-N 3.01Å; Q627-D631 PolarHBondContact O-N 3.05Å; Q627-D631 VanDerWaalsContact O-N 3.08Å |
| 628 | L | 85.5 | Confident | 83.8 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 48% | 0.482 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 178.6 | -158.5 | 85.3 | 0 | 0 | 0 | 112.1 | E624 S625 D631 Y632 | E624-L628 PolarHBondContact O-N 2.98Å; S625-L628 PolarHBondContact O-N 2.9Å; L628-D631 PolarHBondContact O-N 3.09Å; L628-Y632 HydrophobicContact CD2-CD2 4.49Å; L628-Y632 HydrophobicContact CD2-CE2 3.74Å; L628-Y632 HydrophobicContact CG-CD2 4.21Å; L628-Y632 HydrophobicContact CG-CE2 3.73Å; L628-Y632 WeakPolarHBondContact O-CD2 3.32Å; L628-Y632 PolarHBondContact O-N 3.41Å; L628-Y632 VanDerWaalsContact O-N 3.12Å |
| 629 | I | 84.8 | Confident | 84.6 | Confident | 88 Ų | 88 | 109.6 Ų | 109.6 | 45% | 0.451 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 175.3 | -70.3 | 166.3 | 0 | 0 | 0 | 110.6 | S625 Q627 D631 Y632 E633 | S625-I629 VanDerWaalsContact O-CG1 3.32Å; S625-I629 WeakPolarHBondContact O-CG1 3.31Å; S625-I629 PolarHBondContact O-N 3.44Å; Q627-I629 VanDerWaalsContact C-N 3.34Å; Q627-I629 PolarHBondContact O-N 3.04Å; I629-D631 VanDerWaalsContact C-N 3.31Å; I629-D631 PolarHBondContact O-N 2.69Å; I629-Y632 PolarHBondContact O-N 3.39Å; I629-Y632 VanDerWaalsContact O-N 3.17Å; I629-E633 HydrophobicContact CG2-CG 4.39Å; I629-E633 WeakPolarHBondContact O-CG 3.36Å; I629-E633 PolarHBondContact O-N 3.44Å |
| 630 | K | 86.6 | Confident | 85.1 | Confident | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 177.1 | -74.5 | 176 | -179.1 | 173.6 | 0 | 112.7 | Q626 Q627 E633 M634 | Q626-K630 WeakPolarHBondContact O-CG 3.28Å; Q626-K630 PolarHBondContact O-N 3.5Å; Q627-K630 PolarHBondContact O-N 3.01Å; K630-E633 PolarHBondContact O-N 3.08Å; K630-M634 WeakPolarHBondContact O-CB 3.4Å; K630-M634 PolarHBondContact O-N 3.08Å |
| 631 | D | 86.2 | Confident | 85.5 | Confident | 97 Ų | 97 | 104 Ų | 104 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 176.5 | -72.6 | -15.3 | 0 | 0 | 0 | 111.6 | Q627 L628 I629 M634 K635 | Q627-D631 PolarHBondContact O-N 3.05Å; Q627-D631 VanDerWaalsContact O-N 3.08Å; L628-D631 PolarHBondContact O-N 3.09Å; I629-D631 VanDerWaalsContact C-N 3.31Å; I629-D631 PolarHBondContact O-N 2.69Å; D631-M634 PolarHBondContact O-N 3.04Å; D631-K635 PolarHBondContact O-N 3.41Å; D631-K635 VanDerWaalsContact O-N 3.07Å |
| 632 | Y | 84.7 | Confident | 85.9 | Confident | 138 Ų | 138 | 102.6 Ų | 102.6 | 54% | 0.541 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 174.4 | -74.4 | -57.1 | 0 | 0 | 0 | 112.8 | L628 I629 M634 K635 I636 | L628-Y632 HydrophobicContact CD2-CD2 4.49Å; L628-Y632 HydrophobicContact CD2-CE2 3.74Å; L628-Y632 HydrophobicContact CG-CD2 4.21Å; L628-Y632 HydrophobicContact CG-CE2 3.73Å; L628-Y632 WeakPolarHBondContact O-CD2 3.32Å; L628-Y632 PolarHBondContact O-N 3.41Å; L628-Y632 VanDerWaalsContact O-N 3.12Å; I629-Y632 PolarHBondContact O-N 3.39Å; I629-Y632 VanDerWaalsContact O-N 3.17Å; Y632-M634 VanDerWaalsContact C-N 3.29Å; Y632-M634 PolarHBondContact O-N 3.32Å; Y632-K635 PolarHBondContact O-N 3.37Å; Y632-K635 VanDerWaalsContact O-N 3.16Å; Y632-I636 WeakPolarHBondContact O-CG1 3.44Å; Y632-I636 PolarHBondContact O-N 3.34Å |
| 633 | E | 89 | Confident | 86 | Confident | 113 Ų | 113 | 103.3 Ų | 103.3 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 174.9 | -73.7 | 176.2 | 165.2 | 0 | 0 | 111.9 | I629 K630 S637 | I629-E633 HydrophobicContact CG2-CG 4.39Å; I629-E633 WeakPolarHBondContact O-CG 3.36Å; I629-E633 PolarHBondContact O-N 3.44Å; K630-E633 PolarHBondContact O-N 3.08Å; E633-S637 WeakPolarHBondContact O-CB 3.17Å; E633-S637 PolarHBondContact O-N 3.32Å; E633-S637 PolarHBondContact O-OG 3.38Å |
| 634 | M | 90.3 | Very high | 86.3 | Confident | 136 Ų | 136 | 106 Ų | 106 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.2 | -38.4 | 175.7 | -160.2 | -178.9 | -62.9 | 0 | 0 | 111.6 | K630 D631 Y632 S637 K638 | K630-M634 WeakPolarHBondContact O-CB 3.4Å; K630-M634 PolarHBondContact O-N 3.08Å; D631-M634 PolarHBondContact O-N 3.04Å; Y632-M634 VanDerWaalsContact C-N 3.29Å; Y632-M634 PolarHBondContact O-N 3.32Å; M634-S637 PolarHBondContact O-N 2.93Å; M634-K638 PolarHBondContact O-N 3.02Å |
| 635 | K | 88.9 | Confident | 86.5 | Confident | 140 Ų | 140 | 104.5 Ų | 104.5 | 61% | 0.609 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.1 | -41 | 176.7 | -165.1 | 172 | -175 | 179.1 | 0 | 112.3 | D631 Y632 K638 L639 | D631-K635 PolarHBondContact O-N 3.41Å; D631-K635 VanDerWaalsContact O-N 3.07Å; Y632-K635 PolarHBondContact O-N 3.37Å; Y632-K635 VanDerWaalsContact O-N 3.16Å; K635-K638 PolarHBondContact O-N 3.37Å; K635-L639 PolarHBondContact O-N 2.88Å; K635-L639 VanDerWaalsContact O-N 3.08Å |
| 636 | I | 86.3 | Confident | 86.8 | Confident | 107 Ų | 107 | 105.8 Ų | 105.8 | 55% | 0.549 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 173.5 | -69.8 | 169.2 | 0 | 0 | 0 | 109.8 | Y632 K638 L639 T640 | Y632-I636 WeakPolarHBondContact O-CG1 3.44Å; Y632-I636 PolarHBondContact O-N 3.34Å; I636-K638 PolarHBondContact O-N 3.38Å; I636-L639 PolarHBondContact O-N 3.15Å; I636-L639 VanDerWaalsContact O-N 3.14Å; I636-T640 PolarHBondContact O-N 3.42Å; I636-T640 PolarHBondContact O-OG1 3.19Å |
| 637 | S | 88.9 | Confident | 86.7 | Confident | 78 Ų | 78 | 104.9 Ų | 104.9 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -37.1 | 178.9 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | E633 M634 S641 | E633-S637 WeakPolarHBondContact O-CB 3.17Å; E633-S637 PolarHBondContact O-N 3.32Å; E633-S637 PolarHBondContact O-OG 3.38Å; M634-S637 PolarHBondContact O-N 2.93Å; S637-S641 PolarHBondContact O-N 3.34Å; S637-S641 VanDerWaalsContact O-N 3.17Å |
| 638 | K | 90.4 | Very high | 86.7 | Confident | 131 Ų | 131 | 103.1 Ų | 103.1 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -43.9 | 175.7 | -170 | -176 | 176.4 | -167.6 | 0 | 112.7 | M634 K635 I636 T640 S641 E642 | M634-K638 PolarHBondContact O-N 3.02Å; K635-K638 PolarHBondContact O-N 3.37Å; I636-K638 PolarHBondContact O-N 3.38Å; K638-T640 VanDerWaalsContact C-N 3.32Å; K638-S641 PolarHBondContact O-N 3.02Å; K638-S641 PolarHBondContact O-OG 3.17Å; K638-E642 VanDerWaalsContact CE-OE1 3.32Å; K638-E642 WeakPolarHBondContact CE-OE1 3.37Å; K638-E642 WeakPolarHBondContact O-CG 3.46Å; K638-E642 PolarHBondContact O-N 3.05Å; K638-E642 VanDerWaalsContact O-N 3.1Å |
| 639 | L | 88.3 | Confident | 86.4 | Confident | 94 Ų | 94 | 103.9 Ų | 103.9 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 177.1 | -74.8 | 166.9 | 0 | 0 | 0 | 111.6 | K635 I636 E642 L643 | K635-L639 PolarHBondContact O-N 2.88Å; K635-L639 VanDerWaalsContact O-N 3.08Å; I636-L639 PolarHBondContact O-N 3.15Å; I636-L639 VanDerWaalsContact O-N 3.14Å; L639-E642 PolarHBondContact O-N 2.94Å; L639-L643 WeakPolarHBondContact O-CG 3.3Å; L639-L643 PolarHBondContact O-N 2.96Å |
| 640 | T | 86.5 | Confident | 86.1 | Confident | 76 Ų | 76 | 103.1 Ų | 103.1 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 176 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | I636 K638 L643 Q644 | I636-T640 PolarHBondContact O-N 3.42Å; I636-T640 PolarHBondContact O-OG1 3.19Å; K638-T640 VanDerWaalsContact C-N 3.32Å; T640-L643 PolarHBondContact O-N 3.37Å; T640-Q644 PolarHBondContact O-N 2.85Å |
| 641 | S | 88.6 | Confident | 85.4 | Confident | 60 Ų | 60 | 100.8 Ų | 100.8 | 42% | 0.42 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 176 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | S637 K638 Q644 I645 | S637-S641 PolarHBondContact O-N 3.34Å; S637-S641 VanDerWaalsContact O-N 3.17Å; K638-S641 PolarHBondContact O-N 3.02Å; K638-S641 PolarHBondContact O-OG 3.17Å; S641-Q644 PolarHBondContact O-N 3.31Å; S641-I645 WeakPolarHBondContact O-CG1 3.5Å; S641-I645 PolarHBondContact O-N 3.42Å; S641-I645 VanDerWaalsContact O-N 3.1Å |
| 642 | E | 88.2 | Confident | 84.8 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.4 | -75.2 | 174.1 | -170.5 | 0 | 0 | 111.8 | K638 L639 Q644 I645 L646 | K638-E642 VanDerWaalsContact CE-OE1 3.32Å; K638-E642 WeakPolarHBondContact CE-OE1 3.37Å; K638-E642 WeakPolarHBondContact O-CG 3.46Å; K638-E642 PolarHBondContact O-N 3.05Å; K638-E642 VanDerWaalsContact O-N 3.1Å; L639-E642 PolarHBondContact O-N 2.94Å; E642-Q644 PolarHBondContact O-N 2.92Å; E642-I645 PolarHBondContact O-N 2.97Å; E642-L646 PolarHBondContact O-N 3.03Å; E642-L646 VanDerWaalsContact O-N 3.12Å |
| 643 | L | 82.9 | Confident | 83.9 | Confident | 119 Ų | 119 | 102 Ų | 102 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.5 | -37.7 | 175 | -75.9 | 179.5 | 0 | 0 | 0 | 112.8 | L639 T640 L646 N647 | L639-L643 WeakPolarHBondContact O-CG 3.3Å; L639-L643 PolarHBondContact O-N 2.96Å; T640-L643 PolarHBondContact O-N 3.37Å; L643-L646 PolarHBondContact O-N 3.33Å; L643-N647 WeakPolarHBondContact O-CB 3.38Å; L643-N647 PolarHBondContact O-N 3.5Å |
| 644 | Q | 88.1 | Confident | 82.9 | Confident | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.9 | -40.6 | 178.6 | -171.5 | 158 | -12.7 | 0 | 0 | 111.9 | T640 S641 E642 L646 N647 D648 | T640-Q644 PolarHBondContact O-N 2.85Å; S641-Q644 PolarHBondContact O-N 3.31Å; E642-Q644 PolarHBondContact O-N 2.92Å; Q644-L646 VanDerWaalsContact C-N 3.35Å; Q644-L646 PolarHBondContact O-N 3.36Å; Q644-N647 PolarHBondContact O-N 3.3Å; Q644-D648 VanDerWaalsContact O-CG 3.31Å; Q644-D648 PolarHBondContact O-N 3.26Å |
| 645 | I | 87.5 | Confident | 81.3 | Confident | 101 Ų | 101 | 101.2 Ų | 101.2 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.1 | -66.8 | 166.5 | 0 | 0 | 0 | 110.9 | S641 E642 N647 D648 Q649 | S641-I645 WeakPolarHBondContact O-CG1 3.5Å; S641-I645 PolarHBondContact O-N 3.42Å; S641-I645 VanDerWaalsContact O-N 3.1Å; E642-I645 PolarHBondContact O-N 2.97Å; I645-N647 VanDerWaalsContact C-N 3.33Å; I645-N647 PolarHBondContact O-N 3.33Å; I645-D648 PolarHBondContact O-N 3.35Å; I645-Q649 WeakPolarHBondContact O-CG 3.43Å; I645-Q649 PolarHBondContact O-N 3.02Å |
| 646 | L | 83 | Confident | 79.6 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 179 | -167.8 | 71.1 | 0 | 0 | 0 | 111.6 | E642 L643 Q644 Q649 I650 | E642-L646 PolarHBondContact O-N 3.03Å; E642-L646 VanDerWaalsContact O-N 3.12Å; L643-L646 PolarHBondContact O-N 3.33Å; Q644-L646 VanDerWaalsContact C-N 3.35Å; Q644-L646 PolarHBondContact O-N 3.36Å; L646-Q649 PolarHBondContact O-N 3.08Å; L646-I650 HydrophobicContact CG-CD1 4.46Å; L646-I650 WeakPolarHBondContact O-CG1 3.28Å; L646-I650 PolarHBondContact O-N 3.17Å |
| 647 | N | 81.9 | Confident | 78.1 | Confident | 85 Ų | 85 | 100.4 Ų | 100.4 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 176.6 | -169.9 | 64.4 | 0 | 0 | 0 | 112.1 | L643 Q644 I645 I650 N651 | L643-N647 WeakPolarHBondContact O-CB 3.38Å; L643-N647 PolarHBondContact O-N 3.5Å; Q644-N647 PolarHBondContact O-N 3.3Å; I645-N647 VanDerWaalsContact C-N 3.33Å; I645-N647 PolarHBondContact O-N 3.33Å; N647-I650 PolarHBondContact O-N 3Å; N647-N651 PolarHBondContact ND2-ND2 2.91Å; N647-N651 VanDerWaalsContact O-CG 3.28Å; N647-N651 PolarHBondContact O-N 2.9Å; N647-N651 PolarHBondContact O-ND2 3.45Å; N647-N651 VanDerWaalsContact O-ND2 3.13Å |
| 648 | D | 84.1 | Confident | 76.3 | Confident | 78 Ų | 78 | 102.2 Ų | 102.2 | 42% | 0.417 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 175.1 | -71 | -18.5 | 0 | 0 | 0 | 111.8 | Q644 I645 N651 Q652 | Q644-D648 VanDerWaalsContact O-CG 3.31Å; Q644-D648 PolarHBondContact O-N 3.26Å; I645-D648 PolarHBondContact O-N 3.35Å; D648-N651 PolarHBondContact O-N 3.4Å; D648-Q652 WeakPolarHBondContact O-CG 3.37Å; D648-Q652 PolarHBondContact O-N 3.41Å |
| 649 | Q | 79.8 | Confident | 73.9 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 173.5 | -74.9 | 177 | -17.9 | 0 | 0 | 112.1 | I645 L646 N651 Q652 E653 | I645-Q649 WeakPolarHBondContact O-CG 3.43Å; I645-Q649 PolarHBondContact O-N 3.02Å; L646-Q649 PolarHBondContact O-N 3.08Å; Q649-N651 VanDerWaalsContact C-N 3.28Å; Q649-N651 PolarHBondContact O-N 3.17Å; Q649-Q652 PolarHBondContact O-N 3.36Å; Q649-E653 PolarHBondContact O-N 2.91Å |
| 650 | I | 77.9 | Confident | 71.6 | Confident | 72 Ų | 72 | 101.7 Ų | 101.7 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177 | -69.4 | 167.5 | 0 | 0 | 0 | 111 | L646 N647 Q652 E653 K654 | L646-I650 HydrophobicContact CG-CD1 4.46Å; L646-I650 WeakPolarHBondContact O-CG1 3.28Å; L646-I650 PolarHBondContact O-N 3.17Å; N647-I650 PolarHBondContact O-N 3Å; I650-Q652 VanDerWaalsContact C-N 3.35Å; I650-E653 PolarHBondContact O-N 3.27Å; I650-K654 WeakPolarHBondContact O-CG 3.48Å; I650-K654 PolarHBondContact O-N 3.33Å |
| 651 | N | 72.6 | Confident | 69.4 | Low | 74 Ų | 74 | 104.8 Ų | 104.8 | 40% | 0.396 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.1 | -33.1 | 178.6 | -71.6 | -31.5 | 0 | 0 | 0 | 112.6 | N647 D648 Q649 L655 | N647-N651 PolarHBondContact ND2-ND2 2.91Å; N647-N651 VanDerWaalsContact O-CG 3.28Å; N647-N651 PolarHBondContact O-N 2.9Å; N647-N651 PolarHBondContact O-ND2 3.45Å; N647-N651 VanDerWaalsContact O-ND2 3.13Å; D648-N651 PolarHBondContact O-N 3.4Å; Q649-N651 VanDerWaalsContact C-N 3.28Å; Q649-N651 PolarHBondContact O-N 3.17Å; N651-L655 PolarHBondContact O-N 3.47Å; N651-L655 VanDerWaalsContact O-N 3.08Å |
| 652 | Q | 72.5 | Confident | 67 | Low | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.6 | -44.4 | 172.2 | -73.5 | -179 | 11.3 | 0 | 0 | 111.5 | D648 Q649 I650 K654 L655 F656 | D648-Q652 WeakPolarHBondContact O-CG 3.37Å; D648-Q652 PolarHBondContact O-N 3.41Å; Q649-Q652 PolarHBondContact O-N 3.36Å; I650-Q652 VanDerWaalsContact C-N 3.35Å; Q652-K654 VanDerWaalsContact C-N 3.32Å; Q652-K654 PolarHBondContact O-N 3.09Å; Q652-L655 PolarHBondContact O-N 3.45Å; Q652-L655 VanDerWaalsContact O-N 3.08Å; Q652-F656 WeakPolarHBondContact O-CD2 3.37Å; Q652-F656 PolarHBondContact O-N 2.99Å |
| 653 | E | 65.7 | Low | 64.3 | Low | 142 Ų | 142 | 110.8 Ų | 110.8 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60 | -41.2 | 176.1 | -74.5 | -176.3 | 164.2 | 0 | 0 | 112.1 | Q649 I650 L655 F656 A657 | Q649-E653 PolarHBondContact O-N 2.91Å; I650-E653 PolarHBondContact O-N 3.27Å; E653-L655 VanDerWaalsContact C-N 3.33Å; E653-L655 PolarHBondContact O-N 3.23Å; E653-F656 PolarHBondContact O-N 3Å; E653-A657 PolarHBondContact O-N 3.39Å |
| 654 | K | 68.3 | Low | 62 | Low | 131 Ų | 131 | 111 Ų | 111 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.1 | -41.4 | 172.6 | -74.1 | 178.4 | -179.4 | 177 | 0 | 112.2 | I650 Q652 A657 V658 | I650-K654 WeakPolarHBondContact O-CG 3.48Å; I650-K654 PolarHBondContact O-N 3.33Å; Q652-K654 VanDerWaalsContact C-N 3.32Å; Q652-K654 PolarHBondContact O-N 3.09Å; K654-A657 PolarHBondContact O-N 3.38Å; K654-V658 WeakPolarHBondContact O-CG2 3.37Å; K654-V658 PolarHBondContact O-N 3.07Å |
| 655 | L | 57.4 | Low | 59.4 | Low | 100 Ų | 100 | 112.4 Ų | 112.4 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.3 | -35.7 | 179.1 | -171 | 68.6 | 0 | 0 | 0 | 112.3 | N651 Q652 E653 V658 K659 | N651-L655 PolarHBondContact O-N 3.47Å; N651-L655 VanDerWaalsContact O-N 3.08Å; Q652-L655 PolarHBondContact O-N 3.45Å; Q652-L655 VanDerWaalsContact O-N 3.08Å; E653-L655 VanDerWaalsContact C-N 3.33Å; E653-L655 PolarHBondContact O-N 3.23Å; L655-V658 PolarHBondContact O-N 3.11Å; L655-K659 PolarHBondContact O-N 3.3Å |
| 656 | F | 52 | Low | 57.3 | Low | 159 Ų | 159 | 115.6 Ų | 115.6 | 70% | 0.697 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.3 | -38.2 | 173.9 | -82.5 | -72.3 | 0 | 0 | 0 | 112 | Q652 E653 V658 K659 | Q652-F656 WeakPolarHBondContact O-CD2 3.37Å; Q652-F656 PolarHBondContact O-N 2.99Å; E653-F656 PolarHBondContact O-N 3Å; F656-V658 PolarHBondContact O-N 3.46Å; F656-K659 PolarHBondContact O-N 2.91Å |
| 657 | A | 54.6 | Low | 55.4 | Low | 71 Ų | 71 | 118.3 Ų | 118.3 | 59% | 0.587 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.4 | -29.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E653 K654 | E653-A657 PolarHBondContact O-N 3.39Å; K654-A657 PolarHBondContact O-N 3.38Å |
| 658 | V | 51.2 | Low | 53.3 | Low | 116 Ų | 116 | 119.8 Ų | 119.8 | 70% | 0.703 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.9 | -29.6 | -178.7 | 174.7 | 0 | 0 | 0 | 0 | 112.8 | K654 L655 F656 | K654-V658 WeakPolarHBondContact O-CG2 3.37Å; K654-V658 PolarHBondContact O-N 3.07Å; L655-V658 PolarHBondContact O-N 3.11Å; F656-V658 PolarHBondContact O-N 3.46Å |
| 659 | K | 41.4 | Very low | 50.6 | Low | 156 Ų | 156 | 121.9 Ų | 121.9 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -88.4 | -10.8 | -175.8 | -72.9 | -173.9 | 177.1 | -178.4 | 0 | 115.2 | L655 F656 | L655-K659 PolarHBondContact O-N 3.3Å; F656-K659 PolarHBondContact O-N 2.91Å |
| 660 | G | 39.8 | Very low | 48.4 | Very low | 58 Ų | 58 | 120.9 Ų | 120.9 | 60% | 0.598 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -82.8 | -5.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 661 | N | 40.3 | Very low | 46.5 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | trans | -115.9 | 13.9 | -165.1 | -78 | -7.3 | 0 | 0 | 0 | 116.2 | T663 | N661-T663 VanDerWaalsContact C-N 3.31Å; N661-T663 PolarHBondContact O-N 3.18Å; N661-T663 VanDerWaalsContact O-N 3.12Å | ||
| 662 | D | 37.6 | Very low | 45 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -83.8 | 73.8 | 166.6 | -74.5 | -22.4 | 0 | 0 | 0 | 110 | ||
| 663 | T | 32.4 | Very low | 43.3 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | 163.6 | 94.6 | 152.5 | 32.1 | 0 | 0 | 0 | 0 | 109.2 | N661 | N661-T663 VanDerWaalsContact C-N 3.31Å; N661-T663 PolarHBondContact O-N 3.18Å; N661-T663 VanDerWaalsContact O-N 3.12Å | ||
| 664 | C | 34.9 | Very low | 42.1 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 84% | 0.838 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 175.4 | 99.3 | 139.9 | -89.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 665 | N | 33.7 | Very low | 41 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 81% | 0.807 | 66% | 0.661 | S | S | * | * | trans | 53.4 | 100.3 | 146 | -61.2 | -10 | 0 | 0 | 0 | 119.5 | N667 | N665-N667 PolarHBondContact O-N 3.18Š| ||
| 666 | E | 42.9 | Very low | 40.5 | Very low | 167 Ų | 167 | 121.7 Ų | 121.7 | 78% | 0.78 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 1.6 | -172.6 | -72.8 | 175.7 | 133.5 | 0 | 0 | 118.4 | ||
| 667 | N | 42 | Very low | 40.1 | Very low | 149 Ų | 149 | 119.1 Ų | 119.1 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -1.6 | -167.4 | -73.7 | 5 | 0 | 0 | 0 | 116.5 | N665 | N665-N667 PolarHBondContact O-N 3.18Š|
| 668 | T | 37.2 | Very low | 39.7 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -7.2 | 174 | -19 | 0 | 0 | 0 | 0 | 113.1 | ||
| 669 | F | 29.2 | Very low | 39.6 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 53% | 0.531 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | -16.4 | -177.9 | -105.1 | -82.6 | 0 | 0 | 0 | 114.3 | H671 I672 I673 | F669-H671 VanDerWaalsContact C-N 3.31Å; F669-H671 PolarHBondContact O-N 3.49Å; F669-I672 HydrophobicContact CD1-CB 4.2Å; F669-I672 HydrophobicContact CD1-CG2 4.36Å; F669-I672 HydrophobicContact CE1-CB 4.49Å; F669-I672 HydrophobicContact CE1-CG2 4.22Å; F669-I672 PolarHBondContact O-N 3.29Å; F669-I672 VanDerWaalsContact O-N 3.09Å; F669-I673 HydrophobicContact CB-CD1 4.47Å; F669-I673 VanDerWaalsContact O-CG1 3.3Å; F669-I673 WeakPolarHBondContact O-CG1 3.31Å; F669-I673 PolarHBondContact O-N 3.27Å |
| 670 | T | 33.2 | Very low | 39.7 | Very low | 86 Ų | 86 | 118 Ų | 118 | 53% | 0.528 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61 | -39.4 | 176.4 | 46.3 | 0 | 0 | 0 | 0 | 112 | I672 I673 D674 | T670-I672 VanDerWaalsContact C-N 3.31Å; T670-I672 PolarHBondContact O-N 2.83Å; T670-I673 PolarHBondContact O-N 2.98Å; T670-D674 PolarHBondContact O-N 3.27Å |
| 671 | H | 38.5 | Very low | 40.3 | Very low | 152 Ų | 152 | 116.9 Ų | 116.9 | 70% | 0.704 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.2 | -19.4 | 175.5 | -96.6 | -63.3 | 0 | 0 | 0 | 114.8 | F669 | F669-H671 VanDerWaalsContact C-N 3.31Å; F669-H671 PolarHBondContact O-N 3.49Å |
| 672 | I | 39.5 | Very low | 41.1 | Very low | 76 Ų | 76 | 116.7 Ų | 116.7 | 39% | 0.39 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -90.7 | -23.7 | 178 | -62.6 | 175.4 | 0 | 0 | 0 | 111 | F669 T670 K676 | F669-I672 HydrophobicContact CD1-CB 4.2Å; F669-I672 HydrophobicContact CD1-CG2 4.36Å; F669-I672 HydrophobicContact CE1-CB 4.49Å; F669-I672 HydrophobicContact CE1-CG2 4.22Å; F669-I672 PolarHBondContact O-N 3.29Å; F669-I672 VanDerWaalsContact O-N 3.09Å; T670-I672 VanDerWaalsContact C-N 3.31Å; T670-I672 PolarHBondContact O-N 2.83Å; I672-K676 HydrophobicContact CG2-CD 4.4Å; I672-K676 WeakPolarHBondContact O-CG 3.4Å; I672-K676 PolarHBondContact O-N 3.43Å |
| 673 | I | 38.3 | Very low | 41.8 | Very low | 84 Ų | 84 | 115.1 Ų | 115.1 | 43% | 0.431 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -75.9 | -40.9 | 177.9 | -68.8 | 167.3 | 0 | 0 | 0 | 110.6 | F669 T670 D675 K676 D677 | F669-I673 HydrophobicContact CB-CD1 4.47Å; F669-I673 VanDerWaalsContact O-CG1 3.3Å; F669-I673 WeakPolarHBondContact O-CG1 3.31Å; F669-I673 PolarHBondContact O-N 3.27Å; T670-I673 PolarHBondContact O-N 2.98Å; I673-D675 PolarHBondContact O-N 3Å; I673-K676 PolarHBondContact O-N 2.94Å; I673-K676 VanDerWaalsContact O-N 3.08Å; I673-D677 PolarHBondContact O-N 3.45Å |
| 674 | D | 39.3 | Very low | 43 | Very low | 115 Ų | 115 | 112.7 Ų | 112.7 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.9 | -34.8 | 175.3 | -70.3 | -14.7 | 0 | 0 | 0 | 112.1 | T670 C678 | T670-D674 PolarHBondContact O-N 3.27Å; D674-C678 PolarHBondContact O-N 2.92Å |
| 675 | D | 44.8 | Very low | 44.4 | Very low | 109 Ų | 109 | 110.7 Ų | 110.7 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.5 | -24.8 | 177.7 | -118.2 | 12.5 | 0 | 0 | 0 | 113.4 | I673 | I673-D675 PolarHBondContact O-N 3Å |
| 676 | K | 47.1 | Very low | 45.9 | Very low | 121 Ų | 121 | 109.6 Ų | 109.6 | 53% | 0.526 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -86.3 | -34.5 | 178.2 | -79.3 | -175.7 | 178.6 | -178.6 | 0 | 112.8 | I672 I673 C678 K679 N680 | I672-K676 HydrophobicContact CG2-CD 4.4Å; I672-K676 WeakPolarHBondContact O-CG 3.4Å; I672-K676 PolarHBondContact O-N 3.43Å; I673-K676 PolarHBondContact O-N 2.94Å; I673-K676 VanDerWaalsContact O-N 3.08Å; K676-C678 VanDerWaalsContact C-N 3.32Å; K676-K679 PolarHBondContact O-N 3.45Å; K676-N680 WeakPolarHBondContact O-CB 3.35Å; K676-N680 PolarHBondContact O-N 3.24Å |
| 677 | D | 43.2 | Very low | 46.9 | Very low | 105 Ų | 105 | 105.8 Ų | 105.8 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.7 | -31.4 | 174.5 | -75 | -21.2 | 0 | 0 | 0 | 111.5 | I673 G681 | I673-D677 PolarHBondContact O-N 3.45Å; D677-G681 PolarHBondContact O-N 3.03Å |
| 678 | C | 46.3 | Very low | 48.1 | Very low | 82 Ų | 82 | 101.9 Ų | 101.9 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -44 | 172.4 | -149.7 | 0 | 0 | 0 | 0 | 112 | D674 K676 G681 E682 | D674-C678 PolarHBondContact O-N 2.92Å; K676-C678 VanDerWaalsContact C-N 3.32Å; C678-G681 PolarHBondContact O-N 3.37Å; C678-E682 PolarHBondContact O-N 3.27Å |
| 679 | K | 49.2 | Very low | 49.7 | Very low | 140 Ų | 140 | 102.7 Ų | 102.7 | 61% | 0.609 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.1 | -35.5 | 177.3 | -75.2 | -179.2 | 179.5 | 174.7 | 0 | 113.7 | K676 L683 | K676-K679 PolarHBondContact O-N 3.45Å; K679-L683 WeakPolarHBondContact O-CB 3.47Å; K679-L683 PolarHBondContact O-N 2.85Å |
| 680 | N | 44.5 | Very low | 51.8 | Low | 97 Ų | 97 | 102.4 Ų | 102.4 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.5 | -32.6 | 174.2 | -76.3 | -14.1 | 0 | 0 | 0 | 112.1 | K676 T684 | K676-N680 WeakPolarHBondContact O-CB 3.35Å; K676-N680 PolarHBondContact O-N 3.24Å; N680-T684 WeakPolarHBondContact O-CB 3.4Å; N680-T684 PolarHBondContact O-N 3.03Å; N680-T684 PolarHBondContact O-OG1 3.23Å |
| 681 | G | 51.8 | Low | 53.5 | Low | 35 Ų | 35 | 99.1 Ų | 99.1 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -48.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D677 C678 L683 T684 V685 | D677-G681 PolarHBondContact O-N 3.03Å; C678-G681 PolarHBondContact O-N 3.37Å; G681-L683 PolarHBondContact O-N 3.16Å; G681-T684 PolarHBondContact O-N 3.14Å; G681-V685 VanDerWaalsContact O-CG2 3.29Å; G681-V685 WeakPolarHBondContact O-CG2 3.4Å; G681-V685 PolarHBondContact O-N 3.29Å |
| 682 | E | 56.9 | Low | 55.2 | Low | 136 Ų | 136 | 96.3 Ų | 96.3 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 174.8 | -79.8 | -174.9 | 159.4 | 0 | 0 | 112.4 | C678 V685 H686 | C678-E682 PolarHBondContact O-N 3.27Å; E682-V685 PolarHBondContact O-N 3.45Å; E682-H686 WeakPolarHBondContact O-CB 3.41Å; E682-H686 PolarHBondContact O-N 3.23Å |
| 683 | L | 53.1 | Low | 56.9 | Low | 120 Ų | 120 | 97.2 Ų | 97.2 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.6 | -40.8 | 179.2 | -164.5 | 72.1 | 0 | 0 | 0 | 111.8 | K679 G681 H686 L687 | K679-L683 WeakPolarHBondContact O-CB 3.47Å; K679-L683 PolarHBondContact O-N 2.85Å; G681-L683 PolarHBondContact O-N 3.16Å; L683-H686 PolarHBondContact O-N 3.45Å; L683-L687 VanDerWaalsContact O-CB 3.28Å; L683-L687 WeakPolarHBondContact O-CB 2.91Å; L683-L687 PolarHBondContact O-N 3.47Å |
| 684 | T | 57.1 | Low | 58.8 | Low | 81 Ų | 81 | 96.6 Ų | 96.6 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.3 | -54.6 | 0 | 0 | 0 | 0 | 111 | N680 G681 H686 L687 D688 | N680-T684 WeakPolarHBondContact O-CB 3.4Å; N680-T684 PolarHBondContact O-N 3.03Å; N680-T684 PolarHBondContact O-OG1 3.23Å; G681-T684 PolarHBondContact O-N 3.14Å; T684-H686 VanDerWaalsContact C-N 3.33Å; T684-H686 PolarHBondContact O-N 2.72Å; T684-L687 PolarHBondContact O-N 3.35Å; T684-D688 PolarHBondContact O-N 3.03Å |
| 685 | V | 65.3 | Low | 60.9 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | G681 E682 D688 K689 | G681-V685 VanDerWaalsContact O-CG2 3.29Å; G681-V685 WeakPolarHBondContact O-CG2 3.4Å; G681-V685 PolarHBondContact O-N 3.29Å; E682-V685 PolarHBondContact O-N 3.45Å; V685-D688 PolarHBondContact O-N 2.94Å; V685-K689 HydrophobicContact CG1-CD 4.49Å; V685-K689 WeakPolarHBondContact O-CB 3.38Å; V685-K689 WeakPolarHBondContact O-CG 3.31Å; V685-K689 PolarHBondContact O-N 2.98Å |
| 686 | H | 64.1 | Low | 62.7 | Low | 127 Ų | 127 | 89.5 Ų | 89.5 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69 | -37.2 | 178.1 | -159.6 | 1.8 | 0 | 0 | 0 | 111.9 | E682 L683 T684 F690 | E682-H686 WeakPolarHBondContact O-CB 3.41Å; E682-H686 PolarHBondContact O-N 3.23Å; L683-H686 PolarHBondContact O-N 3.45Å; T684-H686 VanDerWaalsContact C-N 3.33Å; T684-H686 PolarHBondContact O-N 2.72Å; H686-F690 WeakPolarHBondContact O-CB 3.3Å; H686-F690 PolarHBondContact O-N 3.2Å |
| 687 | L | 65.3 | Low | 64.3 | Low | 87 Ų | 87 | 87.8 Ų | 87.8 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175 | -166.5 | 79.3 | 0 | 0 | 0 | 111 | L683 T684 F690 K691 | L683-L687 VanDerWaalsContact O-CB 3.28Å; L683-L687 WeakPolarHBondContact O-CB 2.91Å; L683-L687 PolarHBondContact O-N 3.47Å; T684-L687 PolarHBondContact O-N 3.35Å; L687-F690 WeakPolarHBondContact O-CB 3.11Å; L687-F690 PolarHBondContact O-N 3.02Å; L687-K691 VanDerWaalsContact O-CG 3.28Å; L687-K691 WeakPolarHBondContact O-CG 3.41Å; L687-K691 PolarHBondContact O-N 3.26Å |
| 688 | D | 65.7 | Low | 66.2 | Low | 67 Ų | 67 | 84.3 Ų | 84.3 | 36% | 0.358 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 177.6 | -73.1 | -17.8 | 0 | 0 | 0 | 112.3 | T684 V685 F690 K691 Q692 | T684-D688 PolarHBondContact O-N 3.03Å; V685-D688 PolarHBondContact O-N 2.94Å; D688-F690 VanDerWaalsContact C-N 3.32Å; D688-F690 PolarHBondContact O-N 3.12Å; D688-K691 PolarHBondContact O-N 3.05Å; D688-K691 IonicContact OD1-NZ 2.86Å; D688-K691 PolarHBondContact OD1-NZ 3.08Å; D688-Q692 WeakPolarHBondContact O-CG 3.37Å; D688-Q692 PolarHBondContact O-N 2.9Å |
| 689 | K | 71.6 | Confident | 68.1 | Low | 134 Ų | 134 | 80.4 Ų | 80.4 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.9 | -42.2 | 169.2 | -77.9 | -178.3 | 178.3 | -178.5 | 0 | 112.1 | V685 Q692 M693 | V685-K689 HydrophobicContact CG1-CD 4.49Å; V685-K689 WeakPolarHBondContact O-CB 3.38Å; V685-K689 WeakPolarHBondContact O-CG 3.31Å; V685-K689 PolarHBondContact O-N 2.98Å; K689-Q692 PolarHBondContact O-N 3.1Å; K689-M693 VanDerWaalsContact O-CB 3.29Å; K689-M693 WeakPolarHBondContact O-CB 3.44Å; K689-M693 PolarHBondContact O-N 3.39Å |
| 690 | F | 72.1 | Confident | 69.9 | Low | 115 Ų | 115 | 77.7 Ų | 77.7 | 50% | 0.504 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 178.4 | -177.4 | -94.2 | 0 | 0 | 0 | 111.7 | H686 L687 D688 M693 L694 | H686-F690 WeakPolarHBondContact O-CB 3.3Å; H686-F690 PolarHBondContact O-N 3.2Å; L687-F690 WeakPolarHBondContact O-CB 3.11Å; L687-F690 PolarHBondContact O-N 3.02Å; D688-F690 VanDerWaalsContact C-N 3.32Å; D688-F690 PolarHBondContact O-N 3.12Å; F690-M693 HydrophobicContact CD2-CE 3.96Å; F690-M693 HydrophobicContact CE2-CE 4.38Å; F690-M693 PolarHBondContact O-N 3.43Å; F690-L694 HydrophobicContact CE1-CD1 4.48Å; F690-L694 PolarHBondContact O-N 3.26Å |
| 691 | K | 70.3 | Confident | 71.8 | Confident | 17 Ų | 17 | 79.3 Ų | 79.3 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 176.6 | -63.2 | 164.7 | -171.8 | 155 | 0 | 111.9 | L687 D688 M693 L694 L695 E756 L759 | L687-K691 VanDerWaalsContact O-CG 3.28Å; L687-K691 WeakPolarHBondContact O-CG 3.41Å; L687-K691 PolarHBondContact O-N 3.26Å; D688-K691 PolarHBondContact O-N 3.05Å; D688-K691 IonicContact OD1-NZ 2.86Å; D688-K691 PolarHBondContact OD1-NZ 3.08Å; K691-M693 VanDerWaalsContact C-N 3.34Å; K691-L694 WeakPolarHBondContact O-CB 3.33Å; K691-L694 PolarHBondContact O-N 2.96Å; K691-L695 PolarHBondContact O-N 3.14Å; K691-L695 VanDerWaalsContact O-N 3.16Å; K691-E756 VanDerWaalsContact NZ-CG 3.33Å; K691-E756 IonicContact NZ-OE1 2.86Å; K691-E756 PolarHBondContact NZ-OE1 2.88Å; K691-L759 HydrophobicContact CB-CD2 3.37Å; K691-L759 HydrophobicContact CB-CG 4.18Å; K691-L759 HydrophobicContact CD-CD2 4.36Å; K691-L759 HydrophobicContact CG-CD2 4.46Å |
| 692 | Q | 72.8 | Confident | 73.4 | Confident | 92 Ų | 92 | 78.2 Ų | 78.2 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 174.8 | -74.1 | 177.2 | -2.2 | 0 | 0 | 111.4 | D688 K689 L694 L695 K696 L759 | D688-Q692 WeakPolarHBondContact O-CG 3.37Å; D688-Q692 PolarHBondContact O-N 2.9Å; K689-Q692 PolarHBondContact O-N 3.1Å; Q692-L694 VanDerWaalsContact C-N 3.3Å; Q692-L694 PolarHBondContact O-N 3.37Å; Q692-L695 PolarHBondContact O-N 3.35Å; Q692-K696 WeakPolarHBondContact O-CB 3.45Å; Q692-K696 PolarHBondContact O-N 2.97Å; Q692-L759 HydrophobicContact CG-CD2 4.48Å |
| 693 | M | 76.9 | Confident | 74.8 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -36 | 174.8 | -172.5 | 168.1 | 65.4 | 0 | 0 | 112.1 | K689 F690 K691 K696 N697 | K689-M693 VanDerWaalsContact O-CB 3.29Å; K689-M693 WeakPolarHBondContact O-CB 3.44Å; K689-M693 PolarHBondContact O-N 3.39Å; F690-M693 HydrophobicContact CD2-CE 3.96Å; F690-M693 HydrophobicContact CE2-CE 4.38Å; F690-M693 PolarHBondContact O-N 3.43Å; K691-M693 VanDerWaalsContact C-N 3.34Å; M693-K696 PolarHBondContact O-N 3.26Å; M693-N697 WeakPolarHBondContact O-CB 3.42Å; M693-N697 PolarHBondContact O-N 2.58Å; M693-N697 PolarHBondContact O-ND2 3.47Å |
| 694 | L | 77.9 | Confident | 76.3 | Confident | 71 Ų | 71 | 70 Ų | 70 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 175.7 | -174.7 | 126.1 | 0 | 0 | 0 | 111.9 | F690 K691 Q692 T698 | F690-L694 HydrophobicContact CE1-CD1 4.48Å; F690-L694 PolarHBondContact O-N 3.26Å; K691-L694 WeakPolarHBondContact O-CB 3.33Å; K691-L694 PolarHBondContact O-N 2.96Å; Q692-L694 VanDerWaalsContact C-N 3.3Å; Q692-L694 PolarHBondContact O-N 3.37Å; L694-T698 WeakPolarHBondContact O-CB 3.47Å; L694-T698 PolarHBondContact O-N 3.08Å; L694-T698 PolarHBondContact O-OG1 3.06Å |
| 695 | L | 82.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.4 | 177.7 | 62.7 | 0 | 0 | 0 | 111.1 | K691 Q692 N697 T698 I699 Y751 L759 T762 S763 I766 N818 | K691-L695 PolarHBondContact O-N 3.14Å; K691-L695 VanDerWaalsContact O-N 3.16Å; Q692-L695 PolarHBondContact O-N 3.35Å; L695-N697 PolarHBondContact O-N 3.43Å; L695-T698 PolarHBondContact O-N 2.87Å; L695-I699 HydrophobicContact CD1-CD1 3.87Å; L695-I699 HydrophobicContact CD1-CG1 4.2Å; L695-I699 HydrophobicContact CG-CD1 3.87Å; L695-I699 WeakPolarHBondContact O-CG1 3.43Å; L695-I699 PolarHBondContact O-N 3.37Å; L695-Y751 HydrophobicContact CD2-CE1 3.97Å; L695-Y751 HydrophobicContact CD2-CE2 4.49Å; L695-L759 HydrophobicContact CB-CD1 3.59Å; L695-L759 HydrophobicContact CD2-CD1 3.39Å; L695-L759 HydrophobicContact CG-CD1 4.04Å; L695-T762 HydrophobicContact CD1-CG2 4.18Å; L695-S763 WeakPolarHBondContact CA-OG 3.49Å; L695-S763 WeakPolarHBondContact CD1-OG 3.44Å; L695-I766 HydrophobicContact CD1-CD1 3.87Å; L695-N818 VanDerWaalsContact CD2-ND2 3.31Å; L695-N818 WeakPolarHBondContact CD2-ND2 3.41Å |
| 696 | K | 82.7 | Confident | 78 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.5 | -52.5 | 178 | 178.9 | 172.2 | 179.3 | 172.1 | 0 | 112.3 | Q692 M693 T698 I699 E700 L815 | Q692-K696 WeakPolarHBondContact O-CB 3.45Å; Q692-K696 PolarHBondContact O-N 2.97Å; M693-K696 PolarHBondContact O-N 3.26Å; K696-T698 VanDerWaalsContact C-N 3.28Å; K696-T698 PolarHBondContact O-N 2.95Å; K696-I699 PolarHBondContact O-N 3.19Å; K696-E700 WeakPolarHBondContact CE-OE1 3.38Å; K696-E700 HydrophobicContact CG-CG 4.49Å; K696-E700 IonicContact NZ-OE1 2.87Å; K696-E700 WeakPolarHBondContact O-CG 3.49Å; K696-E700 PolarHBondContact O-N 3.48Å; K696-L815 HydrophobicContact CG-CD1 3.79Å |
| 697 | N | 81 | Confident | 78.6 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | -179.7 | -71.4 | -12.2 | 0 | 0 | 0 | 111.8 | M693 L695 Q701 | M693-N697 WeakPolarHBondContact O-CB 3.42Å; M693-N697 PolarHBondContact O-N 2.58Å; M693-N697 PolarHBondContact O-ND2 3.47Å; L695-N697 PolarHBondContact O-N 3.43Å; N697-Q701 VanDerWaalsContact O-CB 3.32Å; N697-Q701 WeakPolarHBondContact O-CB 3.45Å; N697-Q701 PolarHBondContact O-N 3.48Å |
| 698 | T | 83.8 | Confident | 78.7 | Confident | 32 Ų | 32 | 63 Ų | 63 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.4 | -56 | 0 | 0 | 0 | 0 | 111 | L694 L695 K696 I702 | L694-T698 WeakPolarHBondContact O-CB 3.47Å; L694-T698 PolarHBondContact O-N 3.08Å; L694-T698 PolarHBondContact O-OG1 3.06Å; L695-T698 PolarHBondContact O-N 2.87Å; K696-T698 VanDerWaalsContact C-N 3.28Å; K696-T698 PolarHBondContact O-N 2.95Å; T698-I702 HydrophobicContact CG2-CD1 3.93Å; T698-I702 WeakPolarHBondContact O-CB 3.31Å; T698-I702 WeakPolarHBondContact O-CG1 3.42Å; T698-I702 PolarHBondContact O-N 2.92Å; T698-I702 VanDerWaalsContact O-N 3.13Å |
| 699 | I | 86.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -50.9 | 176.9 | -68.6 | 170.3 | 0 | 0 | 0 | 110.7 | L695 K696 Q701 I702 L703 I766 L811 L814 L815 | L695-I699 HydrophobicContact CD1-CD1 3.87Å; L695-I699 HydrophobicContact CD1-CG1 4.2Å; L695-I699 HydrophobicContact CG-CD1 3.87Å; L695-I699 WeakPolarHBondContact O-CG1 3.43Å; L695-I699 PolarHBondContact O-N 3.37Å; K696-I699 PolarHBondContact O-N 3.19Å; I699-Q701 VanDerWaalsContact C-N 3.31Å; I699-Q701 PolarHBondContact O-N 3.37Å; I699-I702 PolarHBondContact O-N 3.27Å; I699-I702 VanDerWaalsContact O-N 3.14Å; I699-L703 HydrophobicContact CG2-CD1 3.7Å; I699-L703 HydrophobicContact CG2-CG 4.08Å; I699-L703 WeakPolarHBondContact O-CB 3.32Å; I699-L703 WeakPolarHBondContact O-CG 3.48Å; I699-L703 PolarHBondContact O-N 3.5Å; I699-I766 HydrophobicContact CD1-CD1 4.47Å; I699-I766 HydrophobicContact CG1-CD1 4.11Å; I699-L811 HydrophobicContact CG1-CD2 4.24Å; I699-L811 HydrophobicContact CG2-CB 4.07Å; I699-L814 HydrophobicContact CD1-CB 3.88Å; I699-L815 HydrophobicContact CB-CD1 4.47Å; I699-L815 HydrophobicContact CG2-CB 4.18Å; I699-L815 HydrophobicContact CG2-CD1 4.15Å |
| 700 | E | 86.9 | Confident | 78.1 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | -179.4 | -72.8 | 177.6 | 176.3 | 0 | 0 | 112.2 | K696 I702 S704 L815 | K696-E700 WeakPolarHBondContact CE-OE1 3.38Å; K696-E700 HydrophobicContact CG-CG 4.49Å; K696-E700 IonicContact NZ-OE1 2.87Å; K696-E700 WeakPolarHBondContact O-CG 3.49Å; K696-E700 PolarHBondContact O-N 3.48Å; E700-I702 PolarHBondContact O-N 3.18Å; E700-S704 WeakPolarHBondContact O-CB 3.36Å; E700-S704 PolarHBondContact O-N 2.96Å; E700-L815 HydrophobicContact CG-CD1 3.94Å; E700-L815 HydrophobicContact CG-CD2 4.33Å |
| 701 | Q | 84.7 | Confident | 77.2 | Confident | 131 Ų | 131 | 61.4 Ų | 61.4 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 177 | -172.6 | 176.7 | 9.8 | 0 | 0 | 111.9 | N697 I699 S704 I705 | N697-Q701 VanDerWaalsContact O-CB 3.32Å; N697-Q701 WeakPolarHBondContact O-CB 3.45Å; N697-Q701 PolarHBondContact O-N 3.48Å; I699-Q701 VanDerWaalsContact C-N 3.31Å; I699-Q701 PolarHBondContact O-N 3.37Å; Q701-S704 PolarHBondContact O-N 3.35Å; Q701-I705 HydrophobicContact CG-CD1 4.29Å; Q701-I705 VanDerWaalsContact O-CG1 3.31Å; Q701-I705 WeakPolarHBondContact O-CG1 3.47Å; Q701-I705 PolarHBondContact O-N 3.43Å; Q701-I705 VanDerWaalsContact O-N 3.09Å |
| 702 | I | 85.4 | Confident | 76.2 | Confident | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.8 | -40.9 | -178.7 | -72.2 | 170 | 0 | 0 | 0 | 111.6 | T698 I699 E700 S704 I705 L706 I766 N770 L811 | T698-I702 HydrophobicContact CG2-CD1 3.93Å; T698-I702 WeakPolarHBondContact O-CB 3.31Å; T698-I702 WeakPolarHBondContact O-CG1 3.42Å; T698-I702 PolarHBondContact O-N 2.92Å; T698-I702 VanDerWaalsContact O-N 3.13Å; I699-I702 PolarHBondContact O-N 3.27Å; I699-I702 VanDerWaalsContact O-N 3.14Å; E700-I702 PolarHBondContact O-N 3.18Å; I702-S704 VanDerWaalsContact C-N 3.27Å; I702-S704 PolarHBondContact O-N 3.19Å; I702-I705 PolarHBondContact O-N 3.13Å; I702-L706 HydrophobicContact CG2-CD1 3.84Å; I702-L706 HydrophobicContact CG2-CG 4.45Å; I702-L706 WeakPolarHBondContact O-CB 3.32Å; I702-L706 PolarHBondContact O-N 3.29Å; I702-I766 HydrophobicContact CD1-CG2 3.54Å; I702-N770 HydrophobicContact CG2-CB 3.94Å; I702-L811 HydrophobicContact CG2-CD1 3.78Å |
| 703 | L | 86.1 | Confident | 74.8 | Confident | 12 Ų | 12 | 63 Ų | 63 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 172.3 | -71.2 | 174.2 | 0 | 0 | 0 | 110.9 | I699 L706 Q707 M808 L811 N812 L815 | I699-L703 HydrophobicContact CG2-CD1 3.7Å; I699-L703 HydrophobicContact CG2-CG 4.08Å; I699-L703 WeakPolarHBondContact O-CB 3.32Å; I699-L703 WeakPolarHBondContact O-CG 3.48Å; I699-L703 PolarHBondContact O-N 3.5Å; L703-L706 PolarHBondContact O-N 3.01Å; L703-Q707 WeakPolarHBondContact O-CB 3.5Å; L703-Q707 WeakPolarHBondContact O-CG 3.34Å; L703-Q707 PolarHBondContact O-N 3.15Å; L703-M808 HydrophobicContact CB-CE 4.21Å; L703-M808 HydrophobicContact CD2-CE 3.43Å; L703-M808 VanDerWaalsContact CD2-CE 3.43Å; L703-M808 HydrophobicContact CD2-SD 3.42Å; L703-M808 WeakPolarHBondContact CD2-SD 3.32Å; L703-M808 HydrophobicContact CG-CE 4.43Å; L703-L811 HydrophobicContact CD2-CB 3.74Å; L703-L811 HydrophobicContact CD2-CD1 4.21Å; L703-L811 HydrophobicContact CG-CB 4.27Å; L703-N812 WeakPolarHBondContact CD1-OD1 3.27Å; L703-L815 HydrophobicContact CD1-CD2 4.21Å |
| 704 | S | 84 | Confident | 72.9 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 51% | 0.51 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176 | 177.7 | 0 | 0 | 0 | 0 | 112.5 | E700 Q701 I702 S708 | E700-S704 WeakPolarHBondContact O-CB 3.36Å; E700-S704 PolarHBondContact O-N 2.96Å; Q701-S704 PolarHBondContact O-N 3.35Å; I702-S704 VanDerWaalsContact C-N 3.27Å; I702-S704 PolarHBondContact O-N 3.19Å; S704-S708 PolarHBondContact O-N 3.39Å |
| 705 | I | 79.6 | Confident | 71 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 176.9 | -68.5 | 163.9 | 0 | 0 | 0 | 110.5 | Q701 I702 Q707 S708 N709 | Q701-I705 HydrophobicContact CG-CD1 4.29Å; Q701-I705 VanDerWaalsContact O-CG1 3.31Å; Q701-I705 WeakPolarHBondContact O-CG1 3.47Å; Q701-I705 PolarHBondContact O-N 3.43Å; Q701-I705 VanDerWaalsContact O-N 3.09Å; I702-I705 PolarHBondContact O-N 3.13Å; I705-Q707 PolarHBondContact O-N 3.4Å; I705-S708 PolarHBondContact O-N 3.01Å; I705-S708 PolarHBondContact O-OG 3.45Å; I705-N709 PolarHBondContact O-N 3.13Å |
| 706 | L | 78.1 | Confident | 69.2 | Low | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -40.5 | -178.5 | -76.4 | 169.3 | 0 | 0 | 0 | 112.3 | I702 L703 S708 N709 Q710 N770 F807 M808 | I702-L706 HydrophobicContact CG2-CD1 3.84Å; I702-L706 HydrophobicContact CG2-CG 4.45Å; I702-L706 WeakPolarHBondContact O-CB 3.32Å; I702-L706 PolarHBondContact O-N 3.29Å; L703-L706 PolarHBondContact O-N 3.01Å; L706-S708 VanDerWaalsContact C-N 3.35Å; L706-S708 PolarHBondContact O-N 2.68Å; L706-N709 PolarHBondContact O-N 3.25Å; L706-Q710 PolarHBondContact O-N 3.4Å; L706-N770 VanDerWaalsContact CD2-OD1 3.28Å; L706-N770 WeakPolarHBondContact CD2-OD1 3.44Å; L706-N770 WeakPolarHBondContact CG-OD1 3.46Å; L706-F807 HydrophobicContact CD1-CD1 4.08Å; L706-F807 HydrophobicContact CD1-CE1 4.36Å; L706-M808 HydrophobicContact CB-CE 4.11Å; L706-M808 HydrophobicContact CB-CG 4.15Å; L706-M808 HydrophobicContact CB-SD 3.26Å; L706-M808 WeakPolarHBondContact CB-SD 3.41Å; L706-M808 HydrophobicContact CD1-CG 3.94Å; L706-M808 HydrophobicContact CD1-SD 3.27Å; L706-M808 WeakPolarHBondContact CD1-SD 3.31Å; L706-M808 HydrophobicContact CG-SD 3.86Å |
| 707 | Q | 76.3 | Confident | 67.2 | Low | 111 Ų | 111 | 73.2 Ų | 73.2 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 172.3 | -74.9 | 175.6 | -5.8 | 0 | 0 | 112.2 | L703 I705 N709 Q710 T711 M808 | L703-Q707 WeakPolarHBondContact O-CB 3.5Å; L703-Q707 WeakPolarHBondContact O-CG 3.34Å; L703-Q707 PolarHBondContact O-N 3.15Å; I705-Q707 PolarHBondContact O-N 3.4Å; Q707-N709 PolarHBondContact O-N 2.68Å; Q707-Q710 PolarHBondContact O-N 3.01Å; Q707-T711 PolarHBondContact O-N 2.95Å; Q707-M808 HydrophobicContact CG-CE 3.79Å |
| 708 | S | 68.5 | Low | 65.3 | Low | 46 Ų | 46 | 77.7 Ų | 77.7 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.5 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | S704 I705 L706 Q710 T711 I712 | S704-S708 PolarHBondContact O-N 3.39Å; I705-S708 PolarHBondContact O-N 3.01Å; I705-S708 PolarHBondContact O-OG 3.45Å; L706-S708 VanDerWaalsContact C-N 3.35Å; L706-S708 PolarHBondContact O-N 2.68Å; S708-Q710 VanDerWaalsContact C-N 3.31Å; S708-Q710 PolarHBondContact O-N 3.31Å; S708-T711 PolarHBondContact O-N 3.48Å; S708-T711 VanDerWaalsContact O-N 3.08Å; S708-T711 PolarHBondContact O-OG1 2.95Å; S708-I712 WeakPolarHBondContact O-CG1 3.5Å; S708-I712 PolarHBondContact O-N 3.01Å; S708-I712 VanDerWaalsContact O-N 3.15Å |
| 709 | N | 64.7 | Low | 63.3 | Low | 67 Ų | 67 | 81.7 Ų | 81.7 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 178.4 | -74.5 | -17.6 | 0 | 0 | 0 | 112.6 | I705 L706 Q707 T711 I712 G713 | I705-N709 PolarHBondContact O-N 3.13Å; L706-N709 PolarHBondContact O-N 3.25Å; Q707-N709 PolarHBondContact O-N 2.68Å; N709-T711 VanDerWaalsContact C-N 3.31Å; N709-T711 PolarHBondContact O-N 3.48Å; N709-I712 PolarHBondContact O-N 3.32Å; N709-G713 PolarHBondContact O-N 3.31Å |
| 710 | Q | 59.7 | Low | 61.1 | Low | 112 Ų | 112 | 85.2 Ų | 85.2 | 52% | 0.523 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -32.6 | 173.6 | -71.7 | -176.5 | -8 | 0 | 0 | 112.7 | L706 Q707 S708 | L706-Q710 PolarHBondContact O-N 3.4Å; Q707-Q710 PolarHBondContact O-N 3.01Å; S708-Q710 VanDerWaalsContact C-N 3.31Å; S708-Q710 PolarHBondContact O-N 3.31Å |
| 711 | T | 53.1 | Low | 59.1 | Low | 104 Ų | 104 | 85.2 Ų | 85.2 | 64% | 0.638 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74.6 | -34.6 | 176.2 | 65.7 | 0 | 0 | 0 | 0 | 113 | Q707 S708 N709 | Q707-T711 PolarHBondContact O-N 2.95Å; S708-T711 PolarHBondContact O-N 3.48Å; S708-T711 VanDerWaalsContact O-N 3.08Å; S708-T711 PolarHBondContact O-OG1 2.95Å; N709-T711 VanDerWaalsContact C-N 3.31Å; N709-T711 PolarHBondContact O-N 3.48Å |
| 712 | I | 49 | Very low | 57.5 | Low | 92 Ų | 92 | 85 Ų | 85 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -81.1 | -28.8 | -176.4 | -62.3 | 161.9 | 0 | 0 | 0 | 111.4 | S708 N709 Q714 S715 | S708-I712 WeakPolarHBondContact O-CG1 3.5Å; S708-I712 PolarHBondContact O-N 3.01Å; S708-I712 VanDerWaalsContact O-N 3.15Å; N709-I712 PolarHBondContact O-N 3.32Å; I712-Q714 PolarHBondContact O-N 2.98Å; I712-S715 PolarHBondContact O-N 3.41Å; I712-S715 PolarHBondContact O-OG 2.95Å |
| 713 | G | 44.3 | Very low | 55.9 | Low | 50 Ų | 50 | 87 Ų | 87 | 52% | 0.515 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | N709 | N709-G713 PolarHBondContact O-N 3.31Š|
| 714 | Q | 36.8 | Very low | 54.6 | Low | 171 Ų | 171 | 91.1 Ų | 91.1 | 80% | 0.799 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -6.9 | 176.7 | -67.6 | -169.9 | -4.5 | 0 | 0 | 114.6 | I712 P716 | I712-Q714 PolarHBondContact O-N 2.98Å; Q714-P716 WeakPolarHBondContact O-CD 3.39Å |
| 715 | S | 37 | Very low | 53.7 | Low | 68 Ų | 68 | 88.3 Ų | 88.3 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | trans | -101.9 | 104.2 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | I712 E717 | I712-S715 PolarHBondContact O-N 3.41Å; I712-S715 PolarHBondContact O-OG 2.95Å; S715-E717 PolarHBondContact O-N 3.47Å | ||
| 716 | P | 44.9 | Very low | 53.2 | Low | 77 Ų | 77 | 87.8 Ų | 87.8 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | trans | -75.9 | -15.5 | -174.5 | -13.3 | 30 | 0 | 0 | 0 | 114.9 | Q714 | Q714-P716 WeakPolarHBondContact O-CD 3.39Š| ||
| 717 | E | 40.3 | Very low | 52.7 | Low | 142 Ų | 142 | 88.7 Ų | 88.7 | 66% | 0.664 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -84.9 | -19.8 | -164.8 | -79.1 | 90.1 | -167.1 | 0 | 0 | 118.1 | S715 | S715-E717 PolarHBondContact O-N 3.47Š|
| 718 | F | 42.4 | Very low | 52.4 | Low | 178 Ų | 178 | 87.4 Ų | 87.4 | 78% | 0.781 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -103.8 | -25.2 | -161.8 | -75.4 | -79.7 | 0 | 0 | 0 | 117.4 | ||
| 719 | I | 41 | Very low | 52.8 | Low | 116 Ų | 116 | 90.8 Ų | 90.8 | 60% | 0.595 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -113.2 | -17.3 | -170.8 | -66.6 | 173.3 | 0 | 0 | 0 | 113.3 | V721 L778 | I719-V721 PolarHBondContact O-N 3.41Å; I719-V721 VanDerWaalsContact O-N 3.17Å; I719-L778 HydrophobicContact CG2-CD2 4.34Å |
| 720 | E | 40.5 | Very low | 53.6 | Low | 74 Ų | 74 | 87.7 Ų | 87.7 | 35% | 0.346 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.6 | -174 | -66.6 | -169.9 | 164.2 | 0 | 0 | 114.6 | Y722 Q785 | E720-Y722 PolarHBondContact O-N 2.93Å; E720-Q785 PolarHBondContact O-OE1 2.86Å |
| 721 | V | 45.2 | Very low | 54.6 | Low | 83 Ų | 83 | 83.9 Ų | 83.9 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -17.4 | -163.8 | -178.8 | 0 | 0 | 0 | 0 | 115 | I719 | I719-V721 PolarHBondContact O-N 3.41Å; I719-V721 VanDerWaalsContact O-N 3.17Å |
| 722 | Y | 50.4 | Low | 56 | Low | 128 Ų | 128 | 84.1 Ų | 84.1 | 50% | 0.502 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -128 | -4.3 | -164.3 | -78.5 | -74.5 | 0 | 0 | 0 | 117.8 | E720 V1108 | E720-Y722 PolarHBondContact O-N 2.93Å; Y722-V1108 HydrophobicContact CD1-CG1 3.99Å; Y722-V1108 WeakPolarHBondContact O-CG1 3.4Å |
| 723 | I | 53 | Low | 57.6 | Low | 51 Ų | 51 | 80.7 Ų | 80.7 | 26% | 0.262 | 42% | 0.422 | S | S | . | . | trans | -99.8 | 118.8 | 177.5 | -59 | 176.4 | 0 | 0 | 0 | 107.7 | L778 F779 S782 | I723-L778 HydrophobicContact CD1-CB 4.02Å; I723-L778 HydrophobicContact CD1-CD1 4.16Å; I723-L778 HydrophobicContact CD1-CD2 4.23Å; I723-L778 HydrophobicContact CD1-CG 4.37Å; I723-F779 HydrophobicContact CG2-CD1 3.56Å; I723-F779 HydrophobicContact CG2-CE1 3.67Å; I723-S782 WeakPolarHBondContact O-CB 3.36Å; I723-S782 PolarHBondContact O-OG 3.26Å | ||
| 724 | H | 58.2 | Low | 59.6 | Low | 100 Ų | 100 | 78.3 Ų | 78.3 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | trans | -115.2 | 122 | 171.1 | -66.8 | -52.1 | 0 | 0 | 0 | 109.1 | S782 | H724-S782 WeakPolarHBondContact CA-OG 3.43Š| ||
| 725 | C | 64.4 | Low | 61.9 | Low | 13 Ų | 13 | 72.3 Ų | 72.3 | 9% | 0.088 | 38% | 0.375 | C | S | . | . | trans | -120.8 | 136.1 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | F779 S782 I783 | C725-F779 HydrophobicContact CB-CB 3.91Å; C725-F779 HydrophobicContact CB-CD1 3.73Å; C725-F779 HydrophobicContact CB-CG 4.03Å; C725-S782 PolarHBondContact N-OG 3.45Å; C725-I783 HydrophobicContact CB-CD1 4.13Å; C725-I783 HydrophobicContact CB-CG1 4.26Å; C725-I783 VanDerWaalsContact O-CG1 3.22Å; C725-I783 WeakPolarHBondContact O-CG1 3.46Å | ||
| 726 | S | 68.6 | Low | 64.3 | Low | 55 Ų | 55 | 73.3 Ų | 73.3 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | trans | -79.7 | 148.1 | 170.5 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | T728 Y729 L730 | S726-T728 PolarHBondContact O-N 3.08Å; S726-T728 PolarHBondContact OG-OG1 3.19Å; S726-Y729 PolarHBondContact O-N 2.99Å; S726-Y729 VanDerWaalsContact O-N 3.13Å; S726-Y729 VanDerWaalsContact OG-CB 3.25Å; S726-Y729 WeakPolarHBondContact OG-CB 3.3Å; S726-Y729 PolarHBondContact OG-N 2.99Å; S726-L730 PolarHBondContact O-N 3.15Å | ||
| 727 | P | 67.5 | Low | 66.4 | Low | 24 Ų | 24 | 69.7 Ų | 69.7 | 16% | 0.156 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -53.3 | -35.7 | 174.7 | -31.9 | 38.1 | 0 | 0 | 0 | 114.2 | L731 L859 L863 | P727-L731 WeakPolarHBondContact O-CB 3.39Å; P727-L731 PolarHBondContact O-N 3.37Å; P727-L859 HydrophobicContact CB-CD2 3.98Å; P727-L859 HydrophobicContact CB-CG 4.43Å; P727-L859 HydrophobicContact CG-CD2 4.09Å; P727-L863 HydrophobicContact CG-CD1 4.39Å |
| 728 | T | 70.8 | Confident | 68.8 | Low | 85 Ų | 85 | 64.5 Ų | 64.5 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 178.5 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | S726 L731 N732 | S726-T728 PolarHBondContact O-N 3.08Å; S726-T728 PolarHBondContact OG-OG1 3.19Å; T728-L731 PolarHBondContact O-N 3.12Å; T728-N732 PolarHBondContact O-N 3.49Å; T728-N732 VanDerWaalsContact O-N 3.07Å |
| 729 | Y | 77.5 | Confident | 71.1 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 46% | 0.459 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 173.7 | -175.7 | -94.2 | 0 | 0 | 0 | 111.1 | S726 L731 N732 H733 F779 | S726-Y729 PolarHBondContact O-N 2.99Å; S726-Y729 VanDerWaalsContact O-N 3.13Å; S726-Y729 VanDerWaalsContact OG-CB 3.25Å; S726-Y729 WeakPolarHBondContact OG-CB 3.3Å; S726-Y729 PolarHBondContact OG-N 2.99Å; Y729-L731 PolarHBondContact O-N 3.43Å; Y729-N732 PolarHBondContact O-N 3.33Å; Y729-H733 WeakPolarHBondContact O-CB 3.48Å; Y729-H733 PolarHBondContact O-N 3.05Å; Y729-F779 HydrophobicContact CD1-CE2 4.41Å; Y729-F779 HydrophobicContact CE1-CD2 4.27Å; Y729-F779 HydrophobicContact CE1-CE1 4.49Å; Y729-F779 AromaticContact CE1-CE2 3.63Å; Y729-F779 HydrophobicContact CE1-CE2 3.63Å; Y729-F779 AromaticContact CE1-CZ 3.77Å; Y729-F779 HydrophobicContact CE1-CZ 3.77Å |
| 730 | L | 81.6 | Confident | 73.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 174.6 | -176.1 | 64.5 | 0 | 0 | 0 | 111.3 | S726 H733 L734 L776 F779 I783 L856 | S726-L730 PolarHBondContact O-N 3.15Å; L730-H733 PolarHBondContact O-N 3.36Å; L730-L734 WeakPolarHBondContact O-CB 3.45Å; L730-L734 PolarHBondContact O-N 3.17Å; L730-L776 HydrophobicContact CD1-CD1 3.42Å; L730-L776 VanDerWaalsContact CD1-CD1 3.42Å; L730-L776 HydrophobicContact CG-CD1 4.44Å; L730-F779 HydrophobicContact CD1-CB 3.66Å; L730-I783 HydrophobicContact CB-CD1 3.61Å; L730-I783 HydrophobicContact CD2-CD1 3.37Å; L730-I783 HydrophobicContact CG-CD1 4.01Å; L730-L856 HydrophobicContact CD2-CD1 3.89Å; L730-L856 HydrophobicContact CD2-CD2 3.36Å; L730-L856 HydrophobicContact CD2-CG 4.28Å; L730-L856 HydrophobicContact CG-CD1 3.91Å; L730-L856 HydrophobicContact CG-CD2 4.05Å |
| 731 | L | 80.6 | Confident | 75.7 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 178.3 | -164.8 | 144.3 | 0 | 0 | 0 | 113.1 | P727 T728 Y729 S735 L856 K857 | P727-L731 WeakPolarHBondContact O-CB 3.39Å; P727-L731 PolarHBondContact O-N 3.37Å; T728-L731 PolarHBondContact O-N 3.12Å; Y729-L731 PolarHBondContact O-N 3.43Å; L731-S735 PolarHBondContact O-N 2.84Å; L731-S735 PolarHBondContact O-OG 3.1Å; L731-L856 HydrophobicContact CD1-CB 4.12Å; L731-K857 HydrophobicContact CD1-CB 4.35Å; L731-K857 HydrophobicContact CD1-CG 3.7Å |
| 732 | N | 81.4 | Confident | 77.9 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 173.5 | -75.8 | -14.3 | 0 | 0 | 0 | 111.3 | T728 Y729 S735 Q736 | T728-N732 PolarHBondContact O-N 3.49Å; T728-N732 VanDerWaalsContact O-N 3.07Å; Y729-N732 PolarHBondContact O-N 3.33Å; N732-S735 WeakPolarHBondContact O-CB 3.25Å; N732-S735 PolarHBondContact O-N 3.05Å; N732-Q736 PolarHBondContact O-N 3.38Å |
| 733 | H | 84 | Confident | 79.8 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 9% | 0.093 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 178 | -157 | -68.3 | 0 | 0 | 0 | 111.9 | Y729 L730 S735 Q736 V737 Q772 L775 F779 | Y729-H733 WeakPolarHBondContact O-CB 3.48Å; Y729-H733 PolarHBondContact O-N 3.05Å; L730-H733 PolarHBondContact O-N 3.36Å; H733-S735 VanDerWaalsContact C-N 3.28Å; H733-S735 PolarHBondContact O-N 3.46Å; H733-Q736 WeakPolarHBondContact O-CB 3.43Å; H733-Q736 PolarHBondContact O-N 2.96Å; H733-V737 WeakPolarHBondContact O-CG2 3.41Å; H733-V737 PolarHBondContact O-N 2.85Å; H733-Q772 PolarHBondContact CE1-OE1 2.72Å; H733-Q772 PolarHBondContact NE2-OE1 3.5Å; H733-L775 VanDerWaalsContact NE2-CD2 3.27Å; H733-L775 WeakPolarHBondContact NE2-CD2 3.44Å; H733-F779 AromaticContact CD2-CE2 3.67Å; H733-F779 AromaticContact NE2-CE2 3.88Å |
| 734 | L | 86 | Confident | 81.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 171.2 | 179 | 66.7 | 0 | 0 | 0 | 111.2 | L730 Q736 V737 I738 L776 L849 M852 S853 L856 | L730-L734 WeakPolarHBondContact O-CB 3.45Å; L730-L734 PolarHBondContact O-N 3.17Å; L734-Q736 VanDerWaalsContact C-N 3.27Å; L734-Q736 PolarHBondContact O-N 2.7Å; L734-V737 PolarHBondContact O-N 3.2Å; L734-I738 HydrophobicContact CG-CD1 4.1Å; L734-I738 WeakPolarHBondContact O-CG1 3.43Å; L734-I738 PolarHBondContact O-N 2.97Å; L734-L776 HydrophobicContact CB-CD1 4.39Å; L734-L776 HydrophobicContact CD1-CD2 3.76Å; L734-L849 HydrophobicContact CD1-CD2 3.81Å; L734-M852 HydrophobicContact CD1-CG 4.43Å; L734-M852 HydrophobicContact CD1-SD 3.75Å; L734-M852 HydrophobicContact CD2-CB 4.12Å; L734-M852 HydrophobicContact CD2-CG 4Å; L734-M852 HydrophobicContact CD2-SD 4.32Å; L734-S853 VanDerWaalsContact CD2-CA 3.48Å; L734-L856 HydrophobicContact CB-CD1 4.45Å; L734-L856 HydrophobicContact CD2-CD1 3.72Å |
| 735 | S | 85.6 | Confident | 83.1 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | L731 N732 H733 N739 | L731-S735 PolarHBondContact O-N 2.84Å; L731-S735 PolarHBondContact O-OG 3.1Å; N732-S735 WeakPolarHBondContact O-CB 3.25Å; N732-S735 PolarHBondContact O-N 3.05Å; H733-S735 VanDerWaalsContact C-N 3.28Å; H733-S735 PolarHBondContact O-N 3.46Å; S735-N739 PolarHBondContact O-N 3.32Å; S735-N739 VanDerWaalsContact O-N 3.16Å; S735-N739 PolarHBondContact O-ND2 2.73Å |
| 736 | Q | 86.9 | Confident | 84.2 | Confident | 88 Ų | 88 | 45 Ų | 45 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 172.1 | -173.4 | 63.8 | 27.8 | 0 | 0 | 111.9 | N732 H733 L734 I738 N739 D740 | N732-Q736 PolarHBondContact O-N 3.38Å; H733-Q736 WeakPolarHBondContact O-CB 3.43Å; H733-Q736 PolarHBondContact O-N 2.96Å; L734-Q736 VanDerWaalsContact C-N 3.27Å; L734-Q736 PolarHBondContact O-N 2.7Å; Q736-I738 VanDerWaalsContact C-N 3.28Å; Q736-I738 PolarHBondContact O-N 2.75Å; Q736-N739 PolarHBondContact O-N 2.98Å; Q736-N739 VanDerWaalsContact O-N 3.11Å; Q736-D740 PolarHBondContact NE2-OD1 3.37Å; Q736-D740 PolarHBondContact O-N 3.09Å |
| 737 | V | 89.2 | Confident | 85 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | H733 L734 D740 F741 L769 Q772 L776 L849 | H733-V737 WeakPolarHBondContact O-CG2 3.41Å; H733-V737 PolarHBondContact O-N 2.85Å; L734-V737 PolarHBondContact O-N 3.2Å; V737-D740 PolarHBondContact O-N 3.4Å; V737-F741 VanDerWaalsContact O-CB 3.31Å; V737-F741 WeakPolarHBondContact O-CB 3.33Å; V737-F741 PolarHBondContact O-N 3.08Å; V737-L769 HydrophobicContact CG1-CD1 4.43Å; V737-Q772 HydrophobicContact CG2-CB 3.84Å; V737-L776 HydrophobicContact CB-CD2 4.47Å; V737-L776 HydrophobicContact CG1-CD2 4.35Å; V737-L776 HydrophobicContact CG2-CD2 4.11Å; V737-L849 HydrophobicContact CG1-CD2 3.88Å |
| 738 | I | 90.1 | Very high | 85.9 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.4 | -69.4 | 165.7 | 0 | 0 | 0 | 111.2 | L734 Q736 F741 N742 L849 | L734-I738 HydrophobicContact CG-CD1 4.1Å; L734-I738 WeakPolarHBondContact O-CG1 3.43Å; L734-I738 PolarHBondContact O-N 2.97Å; Q736-I738 VanDerWaalsContact C-N 3.28Å; Q736-I738 PolarHBondContact O-N 2.75Å; I738-F741 PolarHBondContact O-N 3.1Å; I738-N742 PolarHBondContact O-N 2.92Å; I738-N742 PolarHBondContact O-ND2 3.46Å; I738-L849 HydrophobicContact CG1-CB 4.06Å; I738-L849 HydrophobicContact CG1-CD1 4.31Å; I738-L849 HydrophobicContact CG1-CD2 4.39Å |
| 739 | N | 89.8 | Confident | 86.5 | Confident | 86 Ų | 86 | 40.7 Ų | 40.7 | 46% | 0.46 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 177.9 | -70.3 | -21.9 | 0 | 0 | 0 | 112.6 | S735 Q736 F741 N742 S743 | S735-N739 PolarHBondContact O-N 3.32Å; S735-N739 VanDerWaalsContact O-N 3.16Å; S735-N739 PolarHBondContact O-ND2 2.73Å; Q736-N739 PolarHBondContact O-N 2.98Å; Q736-N739 VanDerWaalsContact O-N 3.11Å; N739-F741 VanDerWaalsContact C-N 3.32Å; N739-N742 PolarHBondContact O-N 3.38Å; N739-S743 PolarHBondContact O-N 3.3Å; N739-S743 PolarHBondContact O-OG 2.82Å |
| 740 | D | 88 | Confident | 86.6 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 176.8 | -71.9 | -0.4 | 0 | 0 | 0 | 110.6 | Q736 V737 S743 F744 Q768 L769 Q772 | Q736-D740 PolarHBondContact NE2-OD1 3.37Å; Q736-D740 PolarHBondContact O-N 3.09Å; V737-D740 PolarHBondContact O-N 3.4Å; D740-S743 PolarHBondContact O-N 2.93Å; D740-F744 WeakPolarHBondContact O-CB 3.45Å; D740-F744 PolarHBondContact O-N 3.29Å; D740-Q768 PolarHBondContact OD1-NE2 3.35Å; D740-Q768 PolarHBondContact OD2-NE2 3.14Å; D740-L769 HydrophobicContact CB-CD1 4.43Å; D740-Q772 WeakPolarHBondContact OD2-CG 3.41Å |
| 741 | F | 91.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 173.4 | -175.1 | -99.5 | 0 | 0 | 0 | 112.5 | V737 I738 N739 S743 F744 E745 L769 L842 I845 H846 L849 | V737-F741 VanDerWaalsContact O-CB 3.31Å; V737-F741 WeakPolarHBondContact O-CB 3.33Å; V737-F741 PolarHBondContact O-N 3.08Å; I738-F741 PolarHBondContact O-N 3.1Å; N739-F741 VanDerWaalsContact C-N 3.32Å; F741-S743 VanDerWaalsContact C-N 3.28Å; F741-S743 PolarHBondContact O-N 3.24Å; F741-F744 HydrophobicContact CD2-CD1 4.24Å; F741-F744 HydrophobicContact CE2-CD1 4.2Å; F741-F744 WeakPolarHBondContact O-CB 3.48Å; F741-F744 PolarHBondContact O-N 2.97Å; F741-E745 PolarHBondContact O-N 2.76Å; F741-L769 HydrophobicContact CB-CD1 3.97Å; F741-L769 HydrophobicContact CD2-CD1 4.31Å; F741-L769 HydrophobicContact CD2-CD2 3.79Å; F741-L769 HydrophobicContact CE2-CD2 4.47Å; F741-L842 HydrophobicContact CE1-CD2 4.45Å; F741-L842 HydrophobicContact CE2-CD2 4.18Å; F741-L842 HydrophobicContact CZ-CD2 3.68Å; F741-I845 HydrophobicContact CD2-CG2 3.81Å; F741-I845 HydrophobicContact CE1-CB 4.41Å; F741-I845 HydrophobicContact CE1-CG2 4.11Å; F741-I845 HydrophobicContact CE2-CB 3.85Å; F741-I845 HydrophobicContact CE2-CD1 3.91Å; F741-I845 HydrophobicContact CE2-CG1 4.49Å; F741-I845 HydrophobicContact CE2-CG2 3.32Å; F741-I845 HydrophobicContact CG-CG2 4.39Å; F741-I845 HydrophobicContact CZ-CB 3.63Å; F741-I845 HydrophobicContact CZ-CD1 4.25Å; F741-I845 HydrophobicContact CZ-CG2 3.49Å; F741-I845 VanDerWaalsContact CZ-CG2 3.49Å; F741-H846 HydrophobicContact CE1-CB 4.18Å; F741-H846 AromaticContact CE1-ND1 4Å; F741-L849 HydrophobicContact CB-CD1 4.03Å; F741-L849 HydrophobicContact CD1-CD1 4.06Å; F741-L849 HydrophobicContact CD2-CD1 4.46Å; F741-L849 HydrophobicContact CG-CD1 3.91Å |
| 742 | N | 91.5 | Very high | 86.4 | Confident | 62 Ų | 62 | 40.9 Ų | 40.9 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.1 | -36.3 | 175.4 | -67.2 | -26.5 | 0 | 0 | 0 | 112 | I738 N739 E745 S746 H846 | I738-N742 PolarHBondContact O-N 2.92Å; I738-N742 PolarHBondContact O-ND2 3.46Å; N739-N742 PolarHBondContact O-N 3.38Å; N742-E745 PolarHBondContact O-N 2.95Å; N742-S746 PolarHBondContact O-N 3.48Å; N742-H846 PolarHBondContact OD1-CE1 3.41Å; N742-H846 VanDerWaalsContact OD1-CE1 3.27Å |
| 743 | S | 89.8 | Confident | 86 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.8 | -39.3 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | N739 D740 F741 A747 | N739-S743 PolarHBondContact O-N 3.3Å; N739-S743 PolarHBondContact O-OG 2.82Å; D740-S743 PolarHBondContact O-N 2.93Å; F741-S743 VanDerWaalsContact C-N 3.28Å; F741-S743 PolarHBondContact O-N 3.24Å; S743-A747 WeakPolarHBondContact O-CB 3.37Å; S743-A747 PolarHBondContact O-N 3.48Å |
| 744 | F | 91.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 170.7 | 168.1 | -112.9 | 0 | 0 | 0 | 111.9 | D740 F741 S746 A747 L748 T762 I766 L769 F807 L810 L842 | D740-F744 WeakPolarHBondContact O-CB 3.45Å; D740-F744 PolarHBondContact O-N 3.29Å; F741-F744 HydrophobicContact CD2-CD1 4.24Å; F741-F744 HydrophobicContact CE2-CD1 4.2Å; F741-F744 WeakPolarHBondContact O-CB 3.48Å; F741-F744 PolarHBondContact O-N 2.97Å; F744-S746 PolarHBondContact O-N 3.47Å; F744-A747 PolarHBondContact O-N 2.81Å; F744-L748 HydrophobicContact CE1-CD2 4.43Å; F744-L748 HydrophobicContact CZ-CD2 4.05Å; F744-L748 VanDerWaalsContact O-CB 3.3Å; F744-L748 WeakPolarHBondContact O-CB 3.42Å; F744-L748 PolarHBondContact O-N 2.94Å; F744-T762 HydrophobicContact CE2-CG2 4.11Å; F744-I766 HydrophobicContact CD2-CG1 3.91Å; F744-I766 HydrophobicContact CE2-CD1 4.05Å; F744-I766 HydrophobicContact CE2-CG1 3.33Å; F744-I766 HydrophobicContact CZ-CG1 4.13Å; F744-L769 HydrophobicContact CD1-CD2 4.13Å; F744-L769 HydrophobicContact CG-CD2 4.44Å; F744-F807 HydrophobicContact CE1-CE2 4.29Å; F744-F807 HydrophobicContact CZ-CE2 4.38Å; F744-L810 HydrophobicContact CE1-CD2 3.62Å; F744-L810 HydrophobicContact CZ-CD2 3.89Å; F744-L842 HydrophobicContact CD1-CD2 4.44Å; F744-L842 HydrophobicContact CE1-CD2 4.06Å |
| 745 | E | 89.1 | Confident | 83.9 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.2 | 179.3 | 173.5 | -174 | 0 | 0 | 112.1 | F741 N742 L748 T749 L842 | F741-E745 PolarHBondContact O-N 2.76Å; N742-E745 PolarHBondContact O-N 2.95Å; E745-L748 PolarHBondContact O-N 3.22Å; E745-T749 WeakPolarHBondContact O-CB 3.36Å; E745-T749 PolarHBondContact O-N 3.01Å; E745-T749 PolarHBondContact O-OG1 3.45Å; E745-L842 HydrophobicContact CB-CD2 4.31Å; E745-L842 HydrophobicContact CG-CD1 4.06Å; E745-L842 HydrophobicContact CG-CD2 4.35Å |
| 746 | S | 87.5 | Confident | 82.9 | Confident | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 174.5 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | N742 F744 L748 T749 D750 | N742-S746 PolarHBondContact O-N 3.48Å; F744-S746 PolarHBondContact O-N 3.47Å; S746-L748 VanDerWaalsContact C-N 3.29Å; S746-L748 PolarHBondContact O-N 3.41Å; S746-T749 PolarHBondContact O-N 3.49Å; S746-D750 PolarHBondContact O-N 3.26Å |
| 747 | A | 85.9 | Confident | 82.2 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S743 F744 D750 Y751 Q761 T762 Y765 | S743-A747 WeakPolarHBondContact O-CB 3.37Å; S743-A747 PolarHBondContact O-N 3.48Å; F744-A747 PolarHBondContact O-N 2.81Å; A747-D750 PolarHBondContact O-N 3.08Å; A747-Y751 WeakPolarHBondContact O-CB 3.36Å; A747-Y751 PolarHBondContact O-N 3.24Å; A747-Q761 HydrophobicContact CB-CB 3.74Å; A747-T762 VanDerWaalsContact C-OG1 3.29Å; A747-T762 PolarHBondContact O-OG1 3.27Å; A747-T762 VanDerWaalsContact O-OG1 3.05Å; A747-Y765 HydrophobicContact CB-CD2 3.69Å; A747-Y765 HydrophobicContact CB-CE2 4.15Å |
| 748 | L | 85.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69 | -38.6 | 176.7 | -176.2 | 65 | 0 | 0 | 0 | 111.5 | F744 E745 S746 D750 Y751 L752 T762 L814 I838 L842 | F744-L748 HydrophobicContact CE1-CD2 4.43Å; F744-L748 HydrophobicContact CZ-CD2 4.05Å; F744-L748 VanDerWaalsContact O-CB 3.3Å; F744-L748 WeakPolarHBondContact O-CB 3.42Å; F744-L748 PolarHBondContact O-N 2.94Å; E745-L748 PolarHBondContact O-N 3.22Å; S746-L748 VanDerWaalsContact C-N 3.29Å; S746-L748 PolarHBondContact O-N 3.41Å; L748-D750 VanDerWaalsContact C-N 3.34Å; L748-Y751 HydrophobicContact CD1-CD1 4.02Å; L748-Y751 WeakPolarHBondContact O-CB 3.44Å; L748-Y751 PolarHBondContact O-N 3.11Å; L748-L752 HydrophobicContact CD1-CD1 4.49Å; L748-L752 HydrophobicContact CG-CD1 4.09Å; L748-L752 WeakPolarHBondContact O-CB 3.49Å; L748-L752 VanDerWaalsContact O-CG 3.26Å; L748-L752 WeakPolarHBondContact O-CG 3.44Å; L748-L752 PolarHBondContact O-N 3.28Å; L748-T762 HydrophobicContact CD1-CG2 3.87Å; L748-T762 PolarHBondContact N-OG1 2.9Å; L748-L814 HydrophobicContact CD1-CD1 4.02Å; L748-L814 HydrophobicContact CD1-CD2 3.57Å; L748-L814 HydrophobicContact CD1-CG 4.47Å; L748-L814 HydrophobicContact CD2-CD1 4.48Å; L748-L814 HydrophobicContact CD2-CD2 4.5Å; L748-I838 HydrophobicContact CD2-CG2 3.71Å; L748-L842 HydrophobicContact CD2-CD1 4.22Å; L748-L842 HydrophobicContact CD2-CD2 4.48Å |
| 749 | T | 83.4 | Confident | 80.8 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 44% | 0.436 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 173.7 | -56 | 0 | 0 | 0 | 0 | 111.4 | E745 S746 Y751 L752 S753 | E745-T749 WeakPolarHBondContact O-CB 3.36Å; E745-T749 PolarHBondContact O-N 3.01Å; E745-T749 PolarHBondContact O-OG1 3.45Å; S746-T749 PolarHBondContact O-N 3.49Å; T749-Y751 VanDerWaalsContact C-N 3.32Å; T749-L752 PolarHBondContact O-N 3.48Å; T749-S753 WeakPolarHBondContact O-CB 3.29Å; T749-S753 PolarHBondContact O-N 2.69Å; T749-S753 PolarHBondContact O-OG 3.06Å |
| 750 | D | 81.2 | Confident | 80.2 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 174.1 | -73.9 | -14.8 | 0 | 0 | 0 | 111.7 | S746 A747 L748 S753 S755 | S746-D750 PolarHBondContact O-N 3.26Å; A747-D750 PolarHBondContact O-N 3.08Å; L748-D750 VanDerWaalsContact C-N 3.34Å; D750-S753 WeakPolarHBondContact CA-OG 3.35Å; D750-S753 PolarHBondContact O-OG 2.97Å; D750-S753 VanDerWaalsContact O-OG 3.11Å; D750-S755 VanDerWaalsContact C-OG 3.3Å; D750-S755 VanDerWaalsContact O-CB 3.3Å; D750-S755 WeakPolarHBondContact O-CB 3.08Å; D750-S755 PolarHBondContact O-N 3.44Å; D750-S755 VanDerWaalsContact O-N 3.12Å; D750-S755 PolarHBondContact O-OG 2.92Å |
| 751 | Y | 80.7 | Confident | 79.9 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 14% | 0.141 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.1 | -47.2 | 173.4 | 170.1 | -120.4 | 0 | 0 | 0 | 112 | L695 A747 L748 T749 S753 D754 L759 N818 | L695-Y751 HydrophobicContact CD2-CE1 3.97Å; L695-Y751 HydrophobicContact CD2-CE2 4.49Å; A747-Y751 WeakPolarHBondContact O-CB 3.36Å; A747-Y751 PolarHBondContact O-N 3.24Å; L748-Y751 HydrophobicContact CD1-CD1 4.02Å; L748-Y751 WeakPolarHBondContact O-CB 3.44Å; L748-Y751 PolarHBondContact O-N 3.11Å; T749-Y751 VanDerWaalsContact C-N 3.32Å; Y751-S753 PolarHBondContact O-N 2.94Å; Y751-D754 PolarHBondContact O-N 3.15Å; Y751-L759 HydrophobicContact CD2-CB 3.76Å; Y751-L759 HydrophobicContact CD2-CD1 3.97Å; Y751-L759 HydrophobicContact CD2-CG 4.4Å; Y751-L759 HydrophobicContact CE2-CB 4.06Å; Y751-L759 HydrophobicContact CE2-CD1 3.56Å; Y751-L759 HydrophobicContact CE2-CD2 4.48Å; Y751-L759 HydrophobicContact CE2-CG 4.24Å; Y751-N818 PolarHBondContact OH-OD1 2.84Å; Y751-N818 VanDerWaalsContact OH-OD1 3.06Å |
| 752 | L | 76.1 | Confident | 79.6 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 29% | 0.293 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -21.2 | 179.5 | -67.6 | 167.6 | 0 | 0 | 0 | 113.2 | L748 T749 D754 F835 I838 | L748-L752 HydrophobicContact CD1-CD1 4.49Å; L748-L752 HydrophobicContact CG-CD1 4.09Å; L748-L752 WeakPolarHBondContact O-CB 3.49Å; L748-L752 VanDerWaalsContact O-CG 3.26Å; L748-L752 WeakPolarHBondContact O-CG 3.44Å; L748-L752 PolarHBondContact O-N 3.28Å; T749-L752 PolarHBondContact O-N 3.48Å; L752-D754 PolarHBondContact O-N 3.29Å; L752-F835 HydrophobicContact CB-CD2 4.41Å; L752-F835 HydrophobicContact CB-CE2 4.01Å; L752-F835 HydrophobicContact CD1-CD2 3.83Å; L752-F835 HydrophobicContact CD1-CE2 3.72Å; L752-F835 HydrophobicContact CG-CD2 4.48Å; L752-F835 HydrophobicContact CG-CE2 4.4Å; L752-I838 HydrophobicContact CD1-CD1 4.18Å; L752-I838 HydrophobicContact CD1-CG2 4.19Å; L752-I838 HydrophobicContact CD2-CD1 4.21Å |
| 753 | S | 74.2 | Confident | 79.3 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 14.3 | 171.6 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | T749 D750 Y751 S755 | T749-S753 WeakPolarHBondContact O-CB 3.29Å; T749-S753 PolarHBondContact O-N 2.69Å; T749-S753 PolarHBondContact O-OG 3.06Å; D750-S753 WeakPolarHBondContact CA-OG 3.35Å; D750-S753 PolarHBondContact O-OG 2.97Å; D750-S753 VanDerWaalsContact O-OG 3.11Å; Y751-S753 PolarHBondContact O-N 2.94Å; S753-S755 VanDerWaalsContact C-N 3.35Å; S753-S755 PolarHBondContact O-N 3.37Å |
| 754 | D | 65.8 | Low | 79.1 | Confident | 158 Ų | 158 | 60.7 Ų | 60.7 | 85% | 0.845 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 29.7 | 174 | -143.8 | 13.1 | 0 | 0 | 0 | 114.2 | Y751 L752 | Y751-D754 PolarHBondContact O-N 3.15Å; L752-D754 PolarHBondContact O-N 3.29Å |
| 755 | S | 60.1 | Low | 79 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 30% | 0.301 | 32% | 0.324 | S | S | . | . | trans | -85.5 | 126.8 | 172.1 | 82.2 | 0 | 0 | 0 | 0 | 111.2 | D750 S753 K757 G758 | D750-S755 VanDerWaalsContact C-OG 3.3Å; D750-S755 VanDerWaalsContact O-CB 3.3Å; D750-S755 WeakPolarHBondContact O-CB 3.08Å; D750-S755 PolarHBondContact O-N 3.44Å; D750-S755 VanDerWaalsContact O-N 3.12Å; D750-S755 PolarHBondContact O-OG 2.92Å; S753-S755 VanDerWaalsContact C-N 3.35Å; S753-S755 PolarHBondContact O-N 3.37Å; S755-K757 PolarHBondContact O-N 3.41Å; S755-K757 VanDerWaalsContact O-N 3.11Å; S755-G758 PolarHBondContact O-N 3.09Å; S755-G758 PolarHBondContact OG-N 3.29Å | ||
| 756 | E | 64 | Low | 79 | Confident | 127 Ų | 127 | 60.5 Ų | 60.5 | 59% | 0.593 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56.4 | -30.4 | 178.8 | -163.9 | -175.8 | 179.9 | 0 | 0 | 112.7 | K691 | K691-E756 VanDerWaalsContact NZ-CG 3.33Å; K691-E756 IonicContact NZ-OE1 2.86Å; K691-E756 PolarHBondContact NZ-OE1 2.88Å |
| 757 | K | 71.7 | Confident | 78.9 | Confident | 163 Ų | 163 | 58.7 Ų | 58.7 | 71% | 0.709 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.4 | -32.4 | 177 | -67.9 | -178 | -180 | 177.2 | 0 | 112.7 | S755 L759 Q761 | S755-K757 PolarHBondContact O-N 3.41Å; S755-K757 VanDerWaalsContact O-N 3.11Å; K757-L759 PolarHBondContact O-N 2.87Å; K757-Q761 WeakPolarHBondContact O-CG 3.25Å; K757-Q761 PolarHBondContact O-N 3.49Å |
| 758 | G | 74.8 | Confident | 79 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S755 Q761 T762 | S755-G758 PolarHBondContact O-N 3.09Å; S755-G758 PolarHBondContact OG-N 3.29Å; G758-Q761 PolarHBondContact O-N 2.97Å; G758-T762 VanDerWaalsContact O-CB 3.26Å; G758-T762 WeakPolarHBondContact O-CB 3.41Å; G758-T762 PolarHBondContact O-N 3.36Å; G758-T762 PolarHBondContact O-OG1 2.97Å |
| 759 | L | 74.7 | Confident | 79.2 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | -178.5 | 178.4 | 54.6 | 0 | 0 | 0 | 113 | K691 Q692 L695 Y751 K757 S763 | K691-L759 HydrophobicContact CB-CD2 3.37Å; K691-L759 HydrophobicContact CB-CG 4.18Å; K691-L759 HydrophobicContact CD-CD2 4.36Å; K691-L759 HydrophobicContact CG-CD2 4.46Å; Q692-L759 HydrophobicContact CG-CD2 4.48Å; L695-L759 HydrophobicContact CB-CD1 3.59Å; L695-L759 HydrophobicContact CD2-CD1 3.39Å; L695-L759 HydrophobicContact CG-CD1 4.04Å; Y751-L759 HydrophobicContact CD2-CB 3.76Å; Y751-L759 HydrophobicContact CD2-CD1 3.97Å; Y751-L759 HydrophobicContact CD2-CG 4.4Å; Y751-L759 HydrophobicContact CE2-CB 4.06Å; Y751-L759 HydrophobicContact CE2-CD1 3.56Å; Y751-L759 HydrophobicContact CE2-CD2 4.48Å; Y751-L759 HydrophobicContact CE2-CG 4.24Å; K757-L759 PolarHBondContact O-N 2.87Å; L759-S763 PolarHBondContact O-N 2.99Å; L759-S763 PolarHBondContact O-OG 3.15Å |
| 760 | I | 76.9 | Confident | 79.4 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 179.1 | -61.6 | 174.3 | 0 | 0 | 0 | 110.1 | S763 Y764 | I760-S763 PolarHBondContact O-N 3.07Å; I760-Y764 PolarHBondContact O-N 3.44Å; I760-Y764 VanDerWaalsContact O-N 3.12Å |
| 761 | Q | 83.2 | Confident | 79.6 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 178.6 | -72.4 | 176.8 | -23.8 | 0 | 0 | 111.9 | A747 K757 G758 S763 Y764 Y765 | A747-Q761 HydrophobicContact CB-CB 3.74Å; K757-Q761 WeakPolarHBondContact O-CG 3.25Å; K757-Q761 PolarHBondContact O-N 3.49Å; G758-Q761 PolarHBondContact O-N 2.97Å; Q761-S763 PolarHBondContact O-N 2.98Å; Q761-Y764 PolarHBondContact O-N 3.15Å; Q761-Y765 HydrophobicContact CB-CD2 4.35Å; Q761-Y765 HydrophobicContact CB-CE2 4.33Å; Q761-Y765 WeakPolarHBondContact O-CD2 3.34Å; Q761-Y765 PolarHBondContact O-N 3.42Å |
| 762 | T | 85.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 176.4 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | L695 F744 A747 L748 G758 Y764 Y765 I766 | L695-T762 HydrophobicContact CD1-CG2 4.18Å; F744-T762 HydrophobicContact CE2-CG2 4.11Å; A747-T762 VanDerWaalsContact C-OG1 3.29Å; A747-T762 PolarHBondContact O-OG1 3.27Å; A747-T762 VanDerWaalsContact O-OG1 3.05Å; L748-T762 HydrophobicContact CD1-CG2 3.87Å; L748-T762 PolarHBondContact N-OG1 2.9Å; G758-T762 VanDerWaalsContact O-CB 3.26Å; G758-T762 WeakPolarHBondContact O-CB 3.41Å; G758-T762 PolarHBondContact O-N 3.36Å; G758-T762 PolarHBondContact O-OG1 2.97Å; T762-Y764 VanDerWaalsContact C-N 3.31Å; T762-Y764 PolarHBondContact O-N 3.48Å; T762-Y765 PolarHBondContact O-N 3.33Å; T762-I766 HydrophobicContact CG2-CD1 3.84Å; T762-I766 HydrophobicContact CG2-CG1 4.38Å; T762-I766 VanDerWaalsContact O-CG1 3.23Å; T762-I766 WeakPolarHBondContact O-CG1 3.2Å; T762-I766 PolarHBondContact O-N 3.5Å |
| 763 | S | 83.5 | Confident | 80.4 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | L695 L759 I760 Q761 G767 | L695-S763 WeakPolarHBondContact CA-OG 3.49Å; L695-S763 WeakPolarHBondContact CD1-OG 3.44Å; L759-S763 PolarHBondContact O-N 2.99Å; L759-S763 PolarHBondContact O-OG 3.15Å; I760-S763 PolarHBondContact O-N 3.07Å; Q761-S763 PolarHBondContact O-N 2.98Å; S763-G767 PolarHBondContact O-N 3.33Å |
| 764 | Y | 86.4 | Confident | 80.8 | Confident | 143 Ų | 143 | 54 Ų | 54 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64 | -49.1 | 177.3 | 172.6 | -94.7 | 0 | 0 | 0 | 112.3 | I760 Q761 T762 I766 G767 Q768 | I760-Y764 PolarHBondContact O-N 3.44Å; I760-Y764 VanDerWaalsContact O-N 3.12Å; Q761-Y764 PolarHBondContact O-N 3.15Å; T762-Y764 VanDerWaalsContact C-N 3.31Å; T762-Y764 PolarHBondContact O-N 3.48Å; Y764-I766 PolarHBondContact O-N 3.41Å; Y764-G767 PolarHBondContact O-N 3.07Å; Y764-Q768 VanDerWaalsContact CZ-OE1 3.3Å; Y764-Q768 PolarHBondContact O-N 3.3Å; Y764-Q768 PolarHBondContact OH-OE1 2.96Å |
| 765 | Y | 89.6 | Confident | 81.7 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 23% | 0.231 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.1 | -29.5 | -176.5 | -75 | -63.5 | 0 | 0 | 0 | 113.4 | A747 Q761 T762 G767 Q768 L769 | A747-Y765 HydrophobicContact CB-CD2 3.69Å; A747-Y765 HydrophobicContact CB-CE2 4.15Å; Q761-Y765 HydrophobicContact CB-CD2 4.35Å; Q761-Y765 HydrophobicContact CB-CE2 4.33Å; Q761-Y765 WeakPolarHBondContact O-CD2 3.34Å; Q761-Y765 PolarHBondContact O-N 3.42Å; T762-Y765 PolarHBondContact O-N 3.33Å; Y765-G767 VanDerWaalsContact C-N 3.34Å; Y765-G767 PolarHBondContact O-N 3.03Å; Y765-Q768 PolarHBondContact O-N 3.19Å; Y765-L769 WeakPolarHBondContact O-CB 3.48Å; Y765-L769 PolarHBondContact O-N 2.99Å |
| 766 | I | 88.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 170.9 | -69.2 | 168.6 | 0 | 0 | 0 | 110.2 | L695 I699 I702 F744 T762 Y764 N770 F807 L811 L814 | L695-I766 HydrophobicContact CD1-CD1 3.87Å; I699-I766 HydrophobicContact CD1-CD1 4.47Å; I699-I766 HydrophobicContact CG1-CD1 4.11Å; I702-I766 HydrophobicContact CD1-CG2 3.54Å; F744-I766 HydrophobicContact CD2-CG1 3.91Å; F744-I766 HydrophobicContact CE2-CD1 4.05Å; F744-I766 HydrophobicContact CE2-CG1 3.33Å; F744-I766 HydrophobicContact CZ-CG1 4.13Å; T762-I766 HydrophobicContact CG2-CD1 3.84Å; T762-I766 HydrophobicContact CG2-CG1 4.38Å; T762-I766 VanDerWaalsContact O-CG1 3.23Å; T762-I766 WeakPolarHBondContact O-CG1 3.2Å; T762-I766 PolarHBondContact O-N 3.5Å; Y764-I766 PolarHBondContact O-N 3.41Å; I766-N770 WeakPolarHBondContact O-CB 3.39Å; I766-N770 PolarHBondContact O-N 2.98Å; I766-N770 VanDerWaalsContact O-N 3.08Å; I766-F807 HydrophobicContact CG2-CZ 4.07Å; I766-L811 HydrophobicContact CD1-CD2 3.87Å; I766-L811 HydrophobicContact CG1-CD2 4.08Å; I766-L811 HydrophobicContact CG2-CD1 4.36Å; I766-L811 HydrophobicContact CG2-CD2 3.64Å; I766-L814 HydrophobicContact CD1-CD1 4.49Å |
| 767 | G | 86 | Confident | 83.7 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S763 Y764 Y765 S771 | S763-G767 PolarHBondContact O-N 3.33Å; Y764-G767 PolarHBondContact O-N 3.07Å; Y765-G767 VanDerWaalsContact C-N 3.34Å; Y765-G767 PolarHBondContact O-N 3.03Å; G767-S771 PolarHBondContact O-N 3.3Å |
| 768 | Q | 88 | Confident | 84.1 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -48 | 177 | -175.7 | 171.9 | -23.6 | 0 | 0 | 111.5 | D740 Y764 Y765 N770 S771 Q772 | D740-Q768 PolarHBondContact OD1-NE2 3.35Å; D740-Q768 PolarHBondContact OD2-NE2 3.14Å; Y764-Q768 VanDerWaalsContact CZ-OE1 3.3Å; Y764-Q768 PolarHBondContact O-N 3.3Å; Y764-Q768 PolarHBondContact OH-OE1 2.96Å; Y765-Q768 PolarHBondContact O-N 3.19Å; Q768-N770 PolarHBondContact O-N 3.11Å; Q768-S771 WeakPolarHBondContact O-CB 3.49Å; Q768-S771 PolarHBondContact O-N 3.33Å; Q768-Q772 HydrophobicContact CG-CG 4.48Å; Q768-Q772 WeakPolarHBondContact O-CG 3.32Å; Q768-Q772 PolarHBondContact O-N 3.01Å |
| 769 | L | 89 | Confident | 84.3 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | -178.5 | -172.9 | 71.1 | 0 | 0 | 0 | 112 | V737 D740 F741 F744 Y765 S771 Q772 L773 F807 | V737-L769 HydrophobicContact CG1-CD1 4.43Å; D740-L769 HydrophobicContact CB-CD1 4.43Å; F741-L769 HydrophobicContact CB-CD1 3.97Å; F741-L769 HydrophobicContact CD2-CD1 4.31Å; F741-L769 HydrophobicContact CD2-CD2 3.79Å; F741-L769 HydrophobicContact CE2-CD2 4.47Å; F744-L769 HydrophobicContact CD1-CD2 4.13Å; F744-L769 HydrophobicContact CG-CD2 4.44Å; Y765-L769 WeakPolarHBondContact O-CB 3.48Å; Y765-L769 PolarHBondContact O-N 2.99Å; L769-S771 VanDerWaalsContact C-N 3.33Å; L769-S771 PolarHBondContact O-N 3.37Å; L769-Q772 PolarHBondContact O-N 2.98Å; L769-L773 VanDerWaalsContact O-CB 3.3Å; L769-L773 WeakPolarHBondContact O-CB 3.25Å; L769-L773 PolarHBondContact O-N 3.05Å; L769-F807 HydrophobicContact CB-CZ 4.48Å; L769-F807 HydrophobicContact CD2-CD2 3.95Å; L769-F807 HydrophobicContact CD2-CE2 3.48Å; L769-F807 VanDerWaalsContact CD2-CE2 3.48Å; L769-F807 HydrophobicContact CD2-CZ 3.83Å; L769-F807 HydrophobicContact CG-CZ 4.45Å |
| 770 | N | 87.7 | Confident | 84.4 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.1 | -178.3 | 49.6 | 0 | 0 | 0 | 112.6 | I702 L706 I766 Q768 L773 S774 F807 | I702-N770 HydrophobicContact CG2-CB 3.94Å; L706-N770 VanDerWaalsContact CD2-OD1 3.28Å; L706-N770 WeakPolarHBondContact CD2-OD1 3.44Å; L706-N770 WeakPolarHBondContact CG-OD1 3.46Å; I766-N770 WeakPolarHBondContact O-CB 3.39Å; I766-N770 PolarHBondContact O-N 2.98Å; I766-N770 VanDerWaalsContact O-N 3.08Å; Q768-N770 PolarHBondContact O-N 3.11Å; N770-L773 PolarHBondContact O-N 3.12Å; N770-S774 WeakPolarHBondContact O-CB 3.39Å; N770-S774 PolarHBondContact O-N 3.03Å; N770-S774 PolarHBondContact O-OG 3.27Å; N770-F807 HydrophobicContact CB-CE1 4.26Å |
| 771 | S | 85 | Confident | 84.4 | Confident | 71 Ų | 71 | 36 Ų | 36 | 50% | 0.497 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62 | -47.2 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | G767 Q768 L769 S774 L775 | G767-S771 PolarHBondContact O-N 3.3Å; Q768-S771 WeakPolarHBondContact O-CB 3.49Å; Q768-S771 PolarHBondContact O-N 3.33Å; L769-S771 VanDerWaalsContact C-N 3.33Å; L769-S771 PolarHBondContact O-N 3.37Å; S771-S774 PolarHBondContact O-N 3.43Å; S771-L775 PolarHBondContact O-N 3.23Å; S771-L775 VanDerWaalsContact O-N 3.09Å |
| 772 | Q | 86.8 | Confident | 83.7 | Confident | 41 Ų | 41 | 32.6 Ų | 32.6 | 19% | 0.192 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.1 | -38 | 179.7 | -62.6 | -62.2 | -34.7 | 0 | 0 | 112.5 | H733 V737 D740 Q768 L769 L775 L776 | H733-Q772 PolarHBondContact CE1-OE1 2.72Å; H733-Q772 PolarHBondContact NE2-OE1 3.5Å; V737-Q772 HydrophobicContact CG2-CB 3.84Å; D740-Q772 WeakPolarHBondContact OD2-CG 3.41Å; Q768-Q772 HydrophobicContact CG-CG 4.48Å; Q768-Q772 WeakPolarHBondContact O-CG 3.32Å; Q768-Q772 PolarHBondContact O-N 3.01Å; L769-Q772 PolarHBondContact O-N 2.98Å; Q772-L775 PolarHBondContact O-N 3.08Å; Q772-L776 WeakPolarHBondContact O-CB 3.49Å; Q772-L776 PolarHBondContact O-N 3.49Å |
| 773 | L | 86.6 | Confident | 82.9 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.3 | -37.5 | 177.5 | -170.6 | 65.3 | 0 | 0 | 0 | 112.1 | L769 N770 L776 S777 L800 I803 Q804 F807 | L769-L773 VanDerWaalsContact O-CB 3.3Å; L769-L773 WeakPolarHBondContact O-CB 3.25Å; L769-L773 PolarHBondContact O-N 3.05Å; N770-L773 PolarHBondContact O-N 3.12Å; L773-L776 PolarHBondContact O-N 2.82Å; L773-S777 PolarHBondContact O-N 3.42Å; L773-L800 HydrophobicContact CD1-CD1 3.69Å; L773-L800 HydrophobicContact CD1-CG 4.32Å; L773-I803 HydrophobicContact CD1-CB 4.48Å; L773-I803 HydrophobicContact CD1-CG2 3.7Å; L773-I803 HydrophobicContact CD2-CG2 3.99Å; L773-Q804 HydrophobicContact CD2-CB 4.4Å; L773-Q804 HydrophobicContact CD2-CG 3.51Å; L773-Q804 HydrophobicContact CG-CG 3.87Å; L773-F807 HydrophobicContact CD2-CD1 4.49Å |
| 774 | S | 82.9 | Confident | 82.1 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 174.1 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | N770 S771 S777 L778 | N770-S774 WeakPolarHBondContact O-CB 3.39Å; N770-S774 PolarHBondContact O-N 3.03Å; N770-S774 PolarHBondContact O-OG 3.27Å; S771-S774 PolarHBondContact O-N 3.43Å; S774-S777 WeakPolarHBondContact O-CB 3.45Å; S774-S777 PolarHBondContact O-N 3.27Å; S774-L778 PolarHBondContact O-N 2.93Å |
| 775 | L | 83.8 | Confident | 81 | Confident | 59 Ų | 59 | 36 Ų | 36 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 176.7 | -173 | 58.1 | 0 | 0 | 0 | 112 | H733 S771 Q772 S777 L778 F779 | H733-L775 VanDerWaalsContact NE2-CD2 3.27Å; H733-L775 WeakPolarHBondContact NE2-CD2 3.44Å; S771-L775 PolarHBondContact O-N 3.23Å; S771-L775 VanDerWaalsContact O-N 3.09Å; Q772-L775 PolarHBondContact O-N 3.08Å; L775-S777 VanDerWaalsContact C-N 3.26Å; L775-S777 PolarHBondContact O-N 2.99Å; L775-L778 PolarHBondContact O-N 3.35Å; L775-F779 HydrophobicContact CD1-CD2 4.4Å; L775-F779 HydrophobicContact CD1-CE1 4.14Å; L775-F779 HydrophobicContact CD1-CE2 3.73Å; L775-F779 HydrophobicContact CD1-CZ 3.57Å; L775-F779 HydrophobicContact CD2-CE2 3.88Å; L775-F779 HydrophobicContact CD2-CZ 4.19Å; L775-F779 HydrophobicContact CG-CD2 4.03Å; L775-F779 HydrophobicContact CG-CE2 3.41Å; L775-F779 VanDerWaalsContact CG-CE2 3.41Å; L775-F779 HydrophobicContact CG-CZ 3.8Å; L775-F779 WeakPolarHBondContact O-CD2 3.49Å; L775-F779 WeakPolarHBondContact O-CG 3.4Å; L775-F779 PolarHBondContact O-N 3.48Å |
| 776 | L | 84.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -34.3 | 173.5 | -170.7 | 66.8 | 0 | 0 | 0 | 112.1 | L730 L734 V737 Q772 L773 S780 L800 M852 | L730-L776 HydrophobicContact CD1-CD1 3.42Å; L730-L776 VanDerWaalsContact CD1-CD1 3.42Å; L730-L776 HydrophobicContact CG-CD1 4.44Å; L734-L776 HydrophobicContact CB-CD1 4.39Å; L734-L776 HydrophobicContact CD1-CD2 3.76Å; V737-L776 HydrophobicContact CB-CD2 4.47Å; V737-L776 HydrophobicContact CG1-CD2 4.35Å; V737-L776 HydrophobicContact CG2-CD2 4.11Å; Q772-L776 WeakPolarHBondContact O-CB 3.49Å; Q772-L776 PolarHBondContact O-N 3.49Å; L773-L776 PolarHBondContact O-N 2.82Å; L776-S780 WeakPolarHBondContact O-CB 3.12Å; L776-S780 PolarHBondContact O-N 3.12Å; L776-S780 PolarHBondContact O-OG 3.03Å; L776-L800 HydrophobicContact CB-CD1 4.18Å; L776-L800 HydrophobicContact CD2-CD1 3.41Å; L776-L800 VanDerWaalsContact CD2-CD1 3.41Å; L776-L800 HydrophobicContact CG-CD1 3.69Å; L776-M852 HydrophobicContact CD2-SD 4.16Å |
| 777 | S | 82.5 | Confident | 78.1 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 172.5 | -165.8 | 0 | 0 | 0 | 0 | 113.1 | L773 S774 L775 S780 K781 | L773-S777 PolarHBondContact O-N 3.42Å; S774-S777 WeakPolarHBondContact O-CB 3.45Å; S774-S777 PolarHBondContact O-N 3.27Å; L775-S777 VanDerWaalsContact C-N 3.26Å; L775-S777 PolarHBondContact O-N 2.99Å; S777-S780 WeakPolarHBondContact CA-OG 3.33Å; S777-S780 PolarHBondContact O-OG 3.48Å; S777-K781 WeakPolarHBondContact O-CB 3.47Å; S777-K781 VanDerWaalsContact O-CG 3.28Å; S777-K781 WeakPolarHBondContact O-CG 3.43Å; S777-K781 PolarHBondContact O-N 3.3Å; S777-K781 VanDerWaalsContact O-N 3.11Å |
| 778 | L | 78.8 | Confident | 76.4 | Confident | 67 Ų | 67 | 43.7 Ų | 43.7 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.1 | -71 | 165.5 | 0 | 0 | 0 | 111.8 | I719 I723 S774 L775 S782 | I719-L778 HydrophobicContact CG2-CD2 4.34Å; I723-L778 HydrophobicContact CD1-CB 4.02Å; I723-L778 HydrophobicContact CD1-CD1 4.16Å; I723-L778 HydrophobicContact CD1-CD2 4.23Å; I723-L778 HydrophobicContact CD1-CG 4.37Å; S774-L778 PolarHBondContact O-N 2.93Å; L775-L778 PolarHBondContact O-N 3.35Å; L778-S782 WeakPolarHBondContact O-CB 3.44Å; L778-S782 PolarHBondContact O-N 3.26Å |
| 779 | F | 80.8 | Confident | 74.4 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.7 | -37.8 | 179.5 | -66 | -36.5 | 0 | 0 | 0 | 113.8 | I723 C725 Y729 L730 H733 L775 S782 I783 | I723-F779 HydrophobicContact CG2-CD1 3.56Å; I723-F779 HydrophobicContact CG2-CE1 3.67Å; C725-F779 HydrophobicContact CB-CB 3.91Å; C725-F779 HydrophobicContact CB-CD1 3.73Å; C725-F779 HydrophobicContact CB-CG 4.03Å; Y729-F779 HydrophobicContact CD1-CE2 4.41Å; Y729-F779 HydrophobicContact CE1-CD2 4.27Å; Y729-F779 HydrophobicContact CE1-CE1 4.49Å; Y729-F779 AromaticContact CE1-CE2 3.63Å; Y729-F779 HydrophobicContact CE1-CE2 3.63Å; Y729-F779 AromaticContact CE1-CZ 3.77Å; Y729-F779 HydrophobicContact CE1-CZ 3.77Å; L730-F779 HydrophobicContact CD1-CB 3.66Å; H733-F779 AromaticContact CD2-CE2 3.67Å; H733-F779 AromaticContact NE2-CE2 3.88Å; L775-F779 HydrophobicContact CD1-CD2 4.4Å; L775-F779 HydrophobicContact CD1-CE1 4.14Å; L775-F779 HydrophobicContact CD1-CE2 3.73Å; L775-F779 HydrophobicContact CD1-CZ 3.57Å; L775-F779 HydrophobicContact CD2-CE2 3.88Å; L775-F779 HydrophobicContact CD2-CZ 4.19Å; L775-F779 HydrophobicContact CG-CD2 4.03Å; L775-F779 HydrophobicContact CG-CE2 3.41Å; L775-F779 VanDerWaalsContact CG-CE2 3.41Å; L775-F779 HydrophobicContact CG-CZ 3.8Å; L775-F779 WeakPolarHBondContact O-CD2 3.49Å; L775-F779 WeakPolarHBondContact O-CG 3.4Å; L775-F779 PolarHBondContact O-N 3.48Å; F779-S782 WeakPolarHBondContact O-CB 3.05Å; F779-S782 PolarHBondContact O-N 3.27Å; F779-I783 PolarHBondContact O-N 3.06Å |
| 780 | S | 76.5 | Confident | 72.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 175 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | L776 S777 I783 R784 | L776-S780 WeakPolarHBondContact O-CB 3.12Å; L776-S780 PolarHBondContact O-N 3.12Å; L776-S780 PolarHBondContact O-OG 3.03Å; S777-S780 WeakPolarHBondContact CA-OG 3.33Å; S777-S780 PolarHBondContact O-OG 3.48Å; S780-I783 PolarHBondContact O-N 3.46Å; S780-R784 PolarHBondContact O-N 3.38Å; S780-R784 VanDerWaalsContact O-N 3.11Å |
| 781 | K | 76.3 | Confident | 71.8 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 172.3 | -71.5 | 175.3 | -176.2 | -179.9 | 0 | 112.3 | S777 I783 R784 Q785 L797 | S777-K781 WeakPolarHBondContact O-CB 3.47Å; S777-K781 VanDerWaalsContact O-CG 3.28Å; S777-K781 WeakPolarHBondContact O-CG 3.43Å; S777-K781 PolarHBondContact O-N 3.3Å; S777-K781 VanDerWaalsContact O-N 3.11Å; K781-I783 PolarHBondContact O-N 2.83Å; K781-R784 WeakPolarHBondContact O-CB 3.45Å; K781-R784 PolarHBondContact O-N 2.99Å; K781-Q785 PolarHBondContact O-N 3.49Å; K781-Q785 VanDerWaalsContact O-N 3.16Å; K781-L797 HydrophobicContact CG-CD1 3.85Å; K781-L797 HydrophobicContact CG-CD2 4.41Å |
| 782 | S | 69.4 | Low | 71.1 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 173.8 | 170 | 0 | 0 | 0 | 0 | 112.8 | I723 H724 C725 L778 F779 R784 Q785 S786 | I723-S782 WeakPolarHBondContact O-CB 3.36Å; I723-S782 PolarHBondContact O-OG 3.26Å; H724-S782 WeakPolarHBondContact CA-OG 3.43Å; C725-S782 PolarHBondContact N-OG 3.45Å; L778-S782 WeakPolarHBondContact O-CB 3.44Å; L778-S782 PolarHBondContact O-N 3.26Å; F779-S782 WeakPolarHBondContact O-CB 3.05Å; F779-S782 PolarHBondContact O-N 3.27Å; S782-R784 VanDerWaalsContact C-N 3.34Å; S782-R784 PolarHBondContact O-N 3.45Å; S782-Q785 WeakPolarHBondContact O-CB 3.41Å; S782-Q785 PolarHBondContact O-N 3.17Å; S782-Q785 VanDerWaalsContact O-N 3.15Å; S782-S786 PolarHBondContact O-N 3.41Å; S782-S786 VanDerWaalsContact O-N 3.15Å |
| 783 | I | 68.7 | Low | 70.2 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 179.9 | -77.3 | 163 | 0 | 0 | 0 | 112.1 | C725 L730 F779 S780 K781 Q785 S786 N787 L859 | C725-I783 HydrophobicContact CB-CD1 4.13Å; C725-I783 HydrophobicContact CB-CG1 4.26Å; C725-I783 VanDerWaalsContact O-CG1 3.22Å; C725-I783 WeakPolarHBondContact O-CG1 3.46Å; L730-I783 HydrophobicContact CB-CD1 3.61Å; L730-I783 HydrophobicContact CD2-CD1 3.37Å; L730-I783 HydrophobicContact CG-CD1 4.01Å; F779-I783 PolarHBondContact O-N 3.06Å; S780-I783 PolarHBondContact O-N 3.46Å; K781-I783 PolarHBondContact O-N 2.83Å; I783-Q785 VanDerWaalsContact C-N 3.28Å; I783-Q785 PolarHBondContact O-N 3.28Å; I783-S786 WeakPolarHBondContact CA-OG 3.48Å; I783-S786 PolarHBondContact O-N 2.79Å; I783-S786 PolarHBondContact O-OG 3.34Å; I783-N787 WeakPolarHBondContact O-CB 3.48Å; I783-N787 PolarHBondContact O-N 2.77Å; I783-L859 HydrophobicContact CG2-CD2 4Å |
| 784 | R | 65.5 | Low | 69.5 | Low | 126 Ų | 126 | 52 Ų | 52 | 48% | 0.475 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 172.9 | -173.2 | -178.2 | 176.7 | -130.4 | -2.4 | 111.7 | S780 K781 S782 N787 N794 | S780-R784 PolarHBondContact O-N 3.38Å; S780-R784 VanDerWaalsContact O-N 3.11Å; K781-R784 WeakPolarHBondContact O-CB 3.45Å; K781-R784 PolarHBondContact O-N 2.99Å; S782-R784 VanDerWaalsContact C-N 3.34Å; S782-R784 PolarHBondContact O-N 3.45Å; R784-N787 CarbonylContact O-C 3.55Å; R784-N794 PolarHBondContact NE-OD1 3.15Å |
| 785 | Q | 63.7 | Low | 69.2 | Low | 92 Ų | 92 | 54.4 Ų | 54.4 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.8 | -34.4 | 177.3 | -157.8 | -176 | 43.1 | 0 | 0 | 112.3 | E720 K781 S782 I783 | E720-Q785 PolarHBondContact O-OE1 2.86Å; K781-Q785 PolarHBondContact O-N 3.49Å; K781-Q785 VanDerWaalsContact O-N 3.16Å; S782-Q785 WeakPolarHBondContact O-CB 3.41Å; S782-Q785 PolarHBondContact O-N 3.17Å; S782-Q785 VanDerWaalsContact O-N 3.15Å; I783-Q785 VanDerWaalsContact C-N 3.28Å; I783-Q785 PolarHBondContact O-N 3.28Å |
| 786 | S | 60.9 | Low | 69 | Low | 70 Ų | 70 | 51.8 Ų | 51.8 | 49% | 0.49 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -78.3 | -33 | 176 | 60.2 | 0 | 0 | 0 | 0 | 114 | S782 I783 | S782-S786 PolarHBondContact O-N 3.41Å; S782-S786 VanDerWaalsContact O-N 3.15Å; I783-S786 WeakPolarHBondContact CA-OG 3.48Å; I783-S786 PolarHBondContact O-N 2.79Å; I783-S786 PolarHBondContact O-OG 3.34Å |
| 787 | N | 56 | Low | 68.6 | Low | 45 Ų | 45 | 52.8 Ų | 52.8 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -110.7 | 85.2 | -177.3 | -71.6 | -12.9 | 0 | 0 | 0 | 110.2 | I783 R784 A789 | I783-N787 WeakPolarHBondContact O-CB 3.48Å; I783-N787 PolarHBondContact O-N 2.77Å; R784-N787 CarbonylContact O-C 3.55Å; N787-A789 PolarHBondContact O-N 2.92Å |
| 788 | V | 50 | Low | 68.6 | Low | 135 Ų | 135 | 57.5 Ų | 57.5 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -6.2 | -168.1 | 175.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 789 | A | 46 | Very low | 68.9 | Low | 100 Ų | 100 | 55 Ų | 55 | 83% | 0.826 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.8 | 46 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | N787 | N787-A789 PolarHBondContact O-N 2.92Š|
| 790 | S | 57.9 | Low | 69 | Low | 24 Ų | 24 | 54 Ų | 54 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | trans | -111.8 | 123.3 | 169.2 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | S792 S793 | S790-S792 PolarHBondContact O-N 3.42Å; S790-S792 VanDerWaalsContact O-N 3.17Å; S790-S792 PolarHBondContact OG-OG 2.98Å; S790-S793 PolarHBondContact O-N 3.33Å; S790-S793 PolarHBondContact O-OG 3.24Å; S790-S793 WeakPolarHBondContact OG-CB 3.22Å; S790-S793 PolarHBondContact OG-N 2.88Å; S790-S793 PolarHBondContact OG-OG 3.08Å | ||
| 791 | D | 66 | Low | 69.3 | Low | 131 Ų | 131 | 57.4 Ų | 57.4 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -54.9 | -31.1 | 174.2 | -71.1 | -28.3 | 0 | 0 | 0 | 111.9 | N794 N795 | D791-N794 PolarHBondContact O-N 3.47Å; D791-N795 VanDerWaalsContact O-CG 3.24Å; D791-N795 PolarHBondContact O-N 3.1Å; D791-N795 PolarHBondContact O-OD1 3.47Å |
| 792 | S | 68.6 | Low | 69.8 | Low | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 176.1 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | S790 C796 L859 | S790-S792 PolarHBondContact O-N 3.42Å; S790-S792 VanDerWaalsContact O-N 3.17Å; S790-S792 PolarHBondContact OG-OG 2.98Å; S792-C796 WeakPolarHBondContact O-CB 3.27Å; S792-C796 PolarHBondContact O-N 2.93Å; S792-L859 WeakPolarHBondContact OG-CD1 3.5Å |
| 793 | S | 67.7 | Low | 70.7 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.8 | -36.6 | 176.2 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | S790 C796 L797 | S790-S793 PolarHBondContact O-N 3.33Å; S790-S793 PolarHBondContact O-OG 3.24Å; S790-S793 WeakPolarHBondContact OG-CB 3.22Å; S790-S793 PolarHBondContact OG-N 2.88Å; S790-S793 PolarHBondContact OG-OG 3.08Å; S793-C796 PolarHBondContact O-N 3.47Å; S793-L797 PolarHBondContact O-N 2.99Å |
| 794 | N | 72.5 | Confident | 71.5 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 176.3 | -73.3 | -31 | 0 | 0 | 0 | 111.3 | R784 D791 C796 L797 H798 | R784-N794 PolarHBondContact NE-OD1 3.15Å; D791-N794 PolarHBondContact O-N 3.47Å; N794-C796 VanDerWaalsContact C-N 3.31Å; N794-C796 PolarHBondContact O-N 2.95Å; N794-L797 PolarHBondContact O-N 2.96Å; N794-H798 WeakPolarHBondContact O-CB 3.27Å; N794-H798 PolarHBondContact O-N 3.33Å |
| 795 | N | 77.9 | Confident | 72.4 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 175.2 | -68 | -10.7 | 0 | 0 | 0 | 111.7 | D791 L797 H798 N799 E855 | D791-N795 VanDerWaalsContact O-CG 3.24Å; D791-N795 PolarHBondContact O-N 3.1Å; D791-N795 PolarHBondContact O-OD1 3.47Å; N795-L797 PolarHBondContact O-N 3.41Å; N795-H798 PolarHBondContact O-N 2.97Å; N795-N799 WeakPolarHBondContact O-CB 3.47Å; N795-N799 VanDerWaalsContact O-CG 3.31Å; N795-N799 PolarHBondContact O-N 3.06Å; N795-N799 PolarHBondContact O-ND2 3.28Å; N795-N799 VanDerWaalsContact O-ND2 3.07Å; N795-E855 VanDerWaalsContact CB-CD 3.47Å; N795-E855 WeakPolarHBondContact CB-OE1 3.36Å; N795-E855 WeakPolarHBondContact CB-OE2 3.44Å |
| 796 | C | 78.7 | Confident | 73.7 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175 | -178 | 0 | 0 | 0 | 0 | 112 | S792 S793 N794 L800 M852 E855 | S792-C796 WeakPolarHBondContact O-CB 3.27Å; S792-C796 PolarHBondContact O-N 2.93Å; S793-C796 PolarHBondContact O-N 3.47Å; N794-C796 VanDerWaalsContact C-N 3.31Å; N794-C796 PolarHBondContact O-N 2.95Å; C796-L800 PolarHBondContact O-N 3.17Å; C796-L800 VanDerWaalsContact O-N 3.14Å; C796-M852 HydrophobicContact CB-CG 4.36Å; C796-M852 WeakPolarHBondContact O-CE 3.26Å; C796-M852 WeakPolarHBondContact SG-CG 3.44Å; C796-E855 PolarHBondContact N-OE2 3.45Å; C796-E855 VanDerWaalsContact N-OE2 3.12Å |
| 797 | L | 76.9 | Confident | 75.1 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 177.4 | -171.9 | 63.6 | 0 | 0 | 0 | 111.3 | K781 S793 N794 N795 L800 D801 | K781-L797 HydrophobicContact CG-CD1 3.85Å; K781-L797 HydrophobicContact CG-CD2 4.41Å; S793-L797 PolarHBondContact O-N 2.99Å; N794-L797 PolarHBondContact O-N 2.96Å; N795-L797 PolarHBondContact O-N 3.41Å; L797-L800 WeakPolarHBondContact O-CB 3.26Å; L797-L800 PolarHBondContact O-N 3.4Å; L797-L800 VanDerWaalsContact O-N 3.11Å; L797-D801 PolarHBondContact O-N 2.95Å |
| 798 | H | 81.8 | Confident | 76.5 | Confident | 111 Ų | 111 | 46.3 Ų | 46.3 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.9 | -172.9 | 53.2 | 0 | 0 | 0 | 112.4 | N794 N795 L800 D801 L802 | N794-H798 WeakPolarHBondContact O-CB 3.27Å; N794-H798 PolarHBondContact O-N 3.33Å; N795-H798 PolarHBondContact O-N 2.97Å; H798-L800 PolarHBondContact O-N 2.89Å; H798-D801 PolarHBondContact O-N 3.24Å; H798-L802 WeakPolarHBondContact O-CG 3.28Å; H798-L802 PolarHBondContact O-N 3.4Å |
| 799 | N | 84.3 | Confident | 78.3 | Confident | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.3 | -34.8 | 173.7 | -77.8 | -43 | 0 | 0 | 0 | 111.5 | N795 I803 M852 E855 | N795-N799 WeakPolarHBondContact O-CB 3.47Å; N795-N799 VanDerWaalsContact O-CG 3.31Å; N795-N799 PolarHBondContact O-N 3.06Å; N795-N799 PolarHBondContact O-ND2 3.28Å; N795-N799 VanDerWaalsContact O-ND2 3.07Å; N799-I803 WeakPolarHBondContact O-CD1 3.36Å; N799-I803 WeakPolarHBondContact O-CG1 3.26Å; N799-I803 PolarHBondContact O-N 3.32Å; N799-M852 HydrophobicContact CB-CB 4.47Å; N799-M852 HydrophobicContact CB-CE 3.68Å; N799-E855 PolarHBondContact ND2-OE1 2.93Å; N799-E855 VanDerWaalsContact ND2-OE1 3.12Å; N799-E855 PolarHBondContact ND2-OE2 3.45Å |
| 800 | L | 83.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.7 | -41.2 | 178.4 | -163.2 | 87.5 | 0 | 0 | 0 | 112.7 | L773 L776 C796 L797 H798 L802 I803 Q804 M852 | L773-L800 HydrophobicContact CD1-CD1 3.69Å; L773-L800 HydrophobicContact CD1-CG 4.32Å; L776-L800 HydrophobicContact CB-CD1 4.18Å; L776-L800 HydrophobicContact CD2-CD1 3.41Å; L776-L800 VanDerWaalsContact CD2-CD1 3.41Å; L776-L800 HydrophobicContact CG-CD1 3.69Å; C796-L800 PolarHBondContact O-N 3.17Å; C796-L800 VanDerWaalsContact O-N 3.14Å; L797-L800 WeakPolarHBondContact O-CB 3.26Å; L797-L800 PolarHBondContact O-N 3.4Å; L797-L800 VanDerWaalsContact O-N 3.11Å; H798-L800 PolarHBondContact O-N 2.89Å; L800-L802 VanDerWaalsContact C-N 3.28Å; L800-L802 PolarHBondContact O-N 3.39Å; L800-I803 PolarHBondContact O-N 2.94Å; L800-Q804 PolarHBondContact O-N 3.2Å; L800-M852 HydrophobicContact CB-CE 3.76Å; L800-M852 HydrophobicContact CD1-CE 3.78Å; L800-M852 HydrophobicContact CD1-SD 4.23Å; L800-M852 HydrophobicContact CG-CE 4.39Å |
| 801 | D | 83.6 | Confident | 81.8 | Confident | 74 Ų | 74 | 38.1 Ų | 38.1 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.3 | -68.1 | -23.3 | 0 | 0 | 0 | 110.6 | L797 H798 Q804 S805 | L797-D801 PolarHBondContact O-N 2.95Å; H798-D801 PolarHBondContact O-N 3.24Å; D801-Q804 PolarHBondContact O-N 3.4Å; D801-S805 PolarHBondContact O-N 3.01Å |
| 802 | L | 87.2 | Confident | 82.8 | Confident | 58 Ų | 58 | 34.3 Ų | 34.3 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 172.3 | -68.4 | 173.3 | 0 | 0 | 0 | 111.8 | H798 L800 Q804 S805 E806 | H798-L802 WeakPolarHBondContact O-CG 3.28Å; H798-L802 PolarHBondContact O-N 3.4Å; L800-L802 VanDerWaalsContact C-N 3.28Å; L800-L802 PolarHBondContact O-N 3.39Å; L802-Q804 VanDerWaalsContact C-N 3.33Å; L802-Q804 PolarHBondContact O-N 2.89Å; L802-S805 WeakPolarHBondContact O-CB 3.41Å; L802-S805 PolarHBondContact O-N 3.41Å; L802-S805 VanDerWaalsContact O-N 3.15Å; L802-E806 WeakPolarHBondContact O-CB 3.49Å; L802-E806 VanDerWaalsContact O-CG 3.29Å; L802-E806 WeakPolarHBondContact O-CG 3.23Å; L802-E806 PolarHBondContact O-N 2.88Å |
| 803 | I | 87.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 176.5 | -69.7 | 159.9 | 0 | 0 | 0 | 111.4 | L773 N799 L800 S805 E806 F807 I845 H848 L849 M852 | L773-I803 HydrophobicContact CD1-CB 4.48Å; L773-I803 HydrophobicContact CD1-CG2 3.7Å; L773-I803 HydrophobicContact CD2-CG2 3.99Å; N799-I803 WeakPolarHBondContact O-CD1 3.36Å; N799-I803 WeakPolarHBondContact O-CG1 3.26Å; N799-I803 PolarHBondContact O-N 3.32Å; L800-I803 PolarHBondContact O-N 2.94Å; I803-S805 VanDerWaalsContact C-N 3.34Å; I803-S805 PolarHBondContact O-N 3.41Å; I803-E806 PolarHBondContact O-N 3.16Å; I803-F807 WeakPolarHBondContact O-CB 3.12Å; I803-F807 PolarHBondContact O-N 2.89Å; I803-I845 HydrophobicContact CG2-CG2 4Å; I803-H848 HydrophobicContact CD1-CB 3.84Å; I803-H848 HydrophobicContact CG1-CB 3.49Å; I803-H848 VanDerWaalsContact CG1-CB 3.49Å; I803-L849 HydrophobicContact CD1-CD2 3.73Å; I803-L849 HydrophobicContact CD1-CG 3.9Å; I803-M852 HydrophobicContact CD1-CE 3.67Å |
| 804 | Q | 84.9 | Confident | 84.3 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.8 | -77.1 | -175.4 | 4.7 | 0 | 0 | 111.5 | L773 L800 D801 L802 M808 | L773-Q804 HydrophobicContact CD2-CB 4.4Å; L773-Q804 HydrophobicContact CD2-CG 3.51Å; L773-Q804 HydrophobicContact CG-CG 3.87Å; L800-Q804 PolarHBondContact O-N 3.2Å; D801-Q804 PolarHBondContact O-N 3.4Å; L802-Q804 VanDerWaalsContact C-N 3.33Å; L802-Q804 PolarHBondContact O-N 2.89Å; Q804-M808 WeakPolarHBondContact O-CB 3.39Å; Q804-M808 VanDerWaalsContact O-CG 3.22Å; Q804-M808 WeakPolarHBondContact O-CG 3.28Å; Q804-M808 PolarHBondContact O-N 2.9Å |
| 805 | S | 85.7 | Confident | 84.8 | Confident | 58 Ų | 58 | 31.5 Ų | 31.5 | 41% | 0.406 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65 | -43.4 | 177 | -165.8 | 0 | 0 | 0 | 0 | 112.3 | D801 L802 I803 M808 E809 | D801-S805 PolarHBondContact O-N 3.01Å; L802-S805 WeakPolarHBondContact O-CB 3.41Å; L802-S805 PolarHBondContact O-N 3.41Å; L802-S805 VanDerWaalsContact O-N 3.15Å; I803-S805 VanDerWaalsContact C-N 3.34Å; I803-S805 PolarHBondContact O-N 3.41Å; S805-M808 WeakPolarHBondContact O-CB 3.32Å; S805-M808 PolarHBondContact O-N 3.49Å; S805-E809 PolarHBondContact O-N 2.94Å; S805-E809 VanDerWaalsContact O-N 3.07Å |
| 806 | E | 89.7 | Confident | 84.8 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.8 | -38 | 178.8 | -70.6 | 168.3 | 171.4 | 0 | 0 | 112.1 | L802 I803 M808 E809 L810 M844 I845 H848 | L802-E806 WeakPolarHBondContact O-CB 3.49Å; L802-E806 VanDerWaalsContact O-CG 3.29Å; L802-E806 WeakPolarHBondContact O-CG 3.23Å; L802-E806 PolarHBondContact O-N 2.88Å; I803-E806 PolarHBondContact O-N 3.16Å; E806-M808 VanDerWaalsContact C-N 3.33Å; E806-E809 PolarHBondContact O-N 3.32Å; E806-L810 WeakPolarHBondContact O-CB 3.43Å; E806-L810 PolarHBondContact O-N 2.87Å; E806-M844 HydrophobicContact CG-CE 4.08Å; E806-M844 WeakPolarHBondContact OE1-CE 3.45Å; E806-I845 HydrophobicContact CB-CD1 4.14Å; E806-I845 HydrophobicContact CB-CG1 3.64Å; E806-I845 PolarHBondContact OE2-N 3.47Å; E806-H848 VanDerWaalsContact CD-ND1 3.28Å; E806-H848 IonicContact OE1-CE1 4Å; E806-H848 PolarHBondContact OE1-CE1 3.07Å; E806-H848 IonicContact OE1-ND1 2.89Å; E806-H848 PolarHBondContact OE1-ND1 3.22Å; E806-H848 IonicContact OE2-CE1 2.74Å; E806-H848 IonicContact OE2-CG 3.84Å; E806-H848 IonicContact OE2-ND1 2.65Å; E806-H848 PolarHBondContact OE2-ND1 3.11Å |
| 807 | F | 90.2 | Very high | 84.5 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 174.7 | -174.7 | -121 | 0 | 0 | 0 | 111.3 | L706 F744 I766 L769 N770 L773 I803 L810 L811 I845 | L706-F807 HydrophobicContact CD1-CD1 4.08Å; L706-F807 HydrophobicContact CD1-CE1 4.36Å; F744-F807 HydrophobicContact CE1-CE2 4.29Å; F744-F807 HydrophobicContact CZ-CE2 4.38Å; I766-F807 HydrophobicContact CG2-CZ 4.07Å; L769-F807 HydrophobicContact CB-CZ 4.48Å; L769-F807 HydrophobicContact CD2-CD2 3.95Å; L769-F807 HydrophobicContact CD2-CE2 3.48Å; L769-F807 VanDerWaalsContact CD2-CE2 3.48Å; L769-F807 HydrophobicContact CD2-CZ 3.83Å; L769-F807 HydrophobicContact CG-CZ 4.45Å; N770-F807 HydrophobicContact CB-CE1 4.26Å; L773-F807 HydrophobicContact CD2-CD1 4.49Å; I803-F807 WeakPolarHBondContact O-CB 3.12Å; I803-F807 PolarHBondContact O-N 2.89Å; F807-L810 HydrophobicContact CD2-CD2 4.44Å; F807-L810 PolarHBondContact O-N 3.39Å; F807-L811 HydrophobicContact CD1-CD1 4.07Å; F807-L811 HydrophobicContact CE1-CD1 3.69Å; F807-L811 HydrophobicContact CE1-CG 4.34Å; F807-L811 HydrophobicContact CE2-CD1 4.46Å; F807-L811 HydrophobicContact CE2-CD2 4.23Å; F807-L811 HydrophobicContact CE2-CG 4.25Å; F807-L811 HydrophobicContact CZ-CD1 3.91Å; F807-L811 HydrophobicContact CZ-CD2 4.15Å; F807-L811 HydrophobicContact CZ-CG 4.17Å; F807-L811 VanDerWaalsContact O-CG 3.27Å; F807-L811 WeakPolarHBondContact O-CG 3.39Å; F807-L811 PolarHBondContact O-N 3.41Å; F807-I845 HydrophobicContact CB-CD1 4.21Å; F807-I845 HydrophobicContact CD2-CD1 4.49Å |
| 808 | M | 86.5 | Confident | 84 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -45.7 | 172.6 | -77 | -68.3 | -71.7 | 0 | 0 | 112.4 | L703 L706 Q707 Q804 S805 E806 L811 N812 | L703-M808 HydrophobicContact CB-CE 4.21Å; L703-M808 HydrophobicContact CD2-CE 3.43Å; L703-M808 VanDerWaalsContact CD2-CE 3.43Å; L703-M808 HydrophobicContact CD2-SD 3.42Å; L703-M808 WeakPolarHBondContact CD2-SD 3.32Å; L703-M808 HydrophobicContact CG-CE 4.43Å; L706-M808 HydrophobicContact CB-CE 4.11Å; L706-M808 HydrophobicContact CB-CG 4.15Å; L706-M808 HydrophobicContact CB-SD 3.26Å; L706-M808 WeakPolarHBondContact CB-SD 3.41Å; L706-M808 HydrophobicContact CD1-CG 3.94Å; L706-M808 HydrophobicContact CD1-SD 3.27Å; L706-M808 WeakPolarHBondContact CD1-SD 3.31Å; L706-M808 HydrophobicContact CG-SD 3.86Å; Q707-M808 HydrophobicContact CG-CE 3.79Å; Q804-M808 WeakPolarHBondContact O-CB 3.39Å; Q804-M808 VanDerWaalsContact O-CG 3.22Å; Q804-M808 WeakPolarHBondContact O-CG 3.28Å; Q804-M808 PolarHBondContact O-N 2.9Å; S805-M808 WeakPolarHBondContact O-CB 3.32Å; S805-M808 PolarHBondContact O-N 3.49Å; E806-M808 VanDerWaalsContact C-N 3.33Å; M808-L811 PolarHBondContact O-N 3.26Å; M808-N812 PolarHBondContact O-N 2.93Å; M808-N812 PolarHBondContact O-ND2 3.27Å |
| 809 | E | 87.9 | Confident | 83.1 | Confident | 88 Ų | 88 | 32.3 Ų | 32.3 | 41% | 0.411 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66 | -40 | 177.5 | -69.5 | -64 | 176.3 | 0 | 0 | 112.3 | S805 E806 L811 N812 V813 Y841 | S805-E809 PolarHBondContact O-N 2.94Å; S805-E809 VanDerWaalsContact O-N 3.07Å; E806-E809 PolarHBondContact O-N 3.32Å; E809-L811 VanDerWaalsContact C-N 3.32Å; E809-L811 PolarHBondContact O-N 3.47Å; E809-N812 WeakPolarHBondContact O-CB 3.39Å; E809-N812 PolarHBondContact O-N 3.5Å; E809-V813 WeakPolarHBondContact O-CG2 3.36Å; E809-V813 PolarHBondContact O-N 2.74Å; E809-Y841 HydrophobicContact CB-CD1 4.27Å; E809-Y841 HydrophobicContact CB-CE1 3.67Å; E809-Y841 HydrophobicContact CB-CE2 4.24Å; E809-Y841 HydrophobicContact CG-CE1 4.39Å |
| 810 | L | 89.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 173.4 | 178 | 65.9 | 0 | 0 | 0 | 111.7 | F744 E806 F807 N812 V813 L814 I838 Y841 L842 I845 | F744-L810 HydrophobicContact CE1-CD2 3.62Å; F744-L810 HydrophobicContact CZ-CD2 3.89Å; E806-L810 WeakPolarHBondContact O-CB 3.43Å; E806-L810 PolarHBondContact O-N 2.87Å; F807-L810 HydrophobicContact CD2-CD2 4.44Å; F807-L810 PolarHBondContact O-N 3.39Å; L810-N812 VanDerWaalsContact C-N 3.34Å; L810-N812 PolarHBondContact O-N 2.81Å; L810-V813 PolarHBondContact O-N 3.12Å; L810-L814 HydrophobicContact CG-CD1 4.46Å; L810-L814 WeakPolarHBondContact O-CG 3.13Å; L810-L814 PolarHBondContact O-N 3.36Å; L810-I838 HydrophobicContact CD1-CB 4.21Å; L810-I838 HydrophobicContact CD1-CG1 4.06Å; L810-I838 HydrophobicContact CD1-CG2 4Å; L810-Y841 HydrophobicContact CB-CG 4.47Å; L810-L842 HydrophobicContact CD2-CD2 4.03Å; L810-I845 HydrophobicContact CD2-CD1 4.37Å |
| 811 | L | 88.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 177.2 | -70.9 | -178.7 | 0 | 0 | 0 | 112.2 | I699 I702 L703 I766 F807 M808 E809 L814 L815 | I699-L811 HydrophobicContact CG1-CD2 4.24Å; I699-L811 HydrophobicContact CG2-CB 4.07Å; I702-L811 HydrophobicContact CG2-CD1 3.78Å; L703-L811 HydrophobicContact CD2-CB 3.74Å; L703-L811 HydrophobicContact CD2-CD1 4.21Å; L703-L811 HydrophobicContact CG-CB 4.27Å; I766-L811 HydrophobicContact CD1-CD2 3.87Å; I766-L811 HydrophobicContact CG1-CD2 4.08Å; I766-L811 HydrophobicContact CG2-CD1 4.36Å; I766-L811 HydrophobicContact CG2-CD2 3.64Å; F807-L811 HydrophobicContact CD1-CD1 4.07Å; F807-L811 HydrophobicContact CE1-CD1 3.69Å; F807-L811 HydrophobicContact CE1-CG 4.34Å; F807-L811 HydrophobicContact CE2-CD1 4.46Å; F807-L811 HydrophobicContact CE2-CD2 4.23Å; F807-L811 HydrophobicContact CE2-CG 4.25Å; F807-L811 HydrophobicContact CZ-CD1 3.91Å; F807-L811 HydrophobicContact CZ-CD2 4.15Å; F807-L811 HydrophobicContact CZ-CG 4.17Å; F807-L811 VanDerWaalsContact O-CG 3.27Å; F807-L811 WeakPolarHBondContact O-CG 3.39Å; F807-L811 PolarHBondContact O-N 3.41Å; M808-L811 PolarHBondContact O-N 3.26Å; E809-L811 VanDerWaalsContact C-N 3.32Å; E809-L811 PolarHBondContact O-N 3.47Å; L811-L814 HydrophobicContact CD2-CD1 4.43Å; L811-L814 PolarHBondContact O-N 3.27Å; L811-L815 WeakPolarHBondContact O-CB 3.13Å; L811-L815 PolarHBondContact O-N 2.75Å |
| 812 | N | 85.7 | Confident | 78.3 | Confident | 50 Ų | 50 | 47.1 Ų | 47.1 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 173.7 | -72.9 | -32.6 | 0 | 0 | 0 | 112 | L703 M808 E809 L810 L815 Q816 | L703-N812 WeakPolarHBondContact CD1-OD1 3.27Å; M808-N812 PolarHBondContact O-N 2.93Å; M808-N812 PolarHBondContact O-ND2 3.27Å; E809-N812 WeakPolarHBondContact O-CB 3.39Å; E809-N812 PolarHBondContact O-N 3.5Å; L810-N812 VanDerWaalsContact C-N 3.34Å; L810-N812 PolarHBondContact O-N 2.81Å; N812-L815 WeakPolarHBondContact O-CB 3.26Å; N812-L815 PolarHBondContact O-N 3.48Å; N812-Q816 WeakPolarHBondContact O-CG 3.4Å; N812-Q816 PolarHBondContact O-N 3.37Å |
| 813 | V | 85.7 | Confident | 76.3 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | E809 L810 L815 Q816 I817 Y834 Q837 I838 Y841 | E809-V813 WeakPolarHBondContact O-CG2 3.36Å; E809-V813 PolarHBondContact O-N 2.74Å; L810-V813 PolarHBondContact O-N 3.12Å; V813-L815 VanDerWaalsContact C-N 3.3Å; V813-L815 PolarHBondContact O-N 3.17Å; V813-Q816 WeakPolarHBondContact O-CB 3.44Å; V813-Q816 PolarHBondContact O-N 2.91Å; V813-I817 HydrophobicContact CG1-CD1 4.32Å; V813-I817 PolarHBondContact O-N 2.93Å; V813-I817 VanDerWaalsContact O-N 3.1Å; V813-Y834 HydrophobicContact CG1-CD1 4.11Å; V813-Q837 HydrophobicContact CG1-CB 4.49Å; V813-I838 HydrophobicContact CG1-CD1 4.36Å; V813-I838 HydrophobicContact CG1-CG1 3.85Å; V813-Y841 HydrophobicContact CG2-CD2 4.43Å; V813-Y841 HydrophobicContact CG2-CE2 3.92Å |
| 814 | L | 83.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -35.3 | 175.4 | -68.8 | 173.4 | 0 | 0 | 0 | 112.7 | I699 L748 I766 L810 L811 I817 N818 I838 | I699-L814 HydrophobicContact CD1-CB 3.88Å; L748-L814 HydrophobicContact CD1-CD1 4.02Å; L748-L814 HydrophobicContact CD1-CD2 3.57Å; L748-L814 HydrophobicContact CD1-CG 4.47Å; L748-L814 HydrophobicContact CD2-CD1 4.48Å; L748-L814 HydrophobicContact CD2-CD2 4.5Å; I766-L814 HydrophobicContact CD1-CD1 4.49Å; L810-L814 HydrophobicContact CG-CD1 4.46Å; L810-L814 WeakPolarHBondContact O-CG 3.13Å; L810-L814 PolarHBondContact O-N 3.36Å; L811-L814 HydrophobicContact CD2-CD1 4.43Å; L811-L814 PolarHBondContact O-N 3.27Å; L814-I817 HydrophobicContact CD2-CD1 4.45Å; L814-N818 PolarHBondContact O-N 3.35Å; L814-I838 HydrophobicContact CD2-CD1 3.7Å; L814-I838 HydrophobicContact CD2-CG1 4.39Å |
| 815 | L | 82.7 | Confident | 71.6 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 174.7 | -167.5 | 69 | 0 | 0 | 0 | 111.9 | K696 I699 E700 L703 L811 N812 V813 N818 S819 | K696-L815 HydrophobicContact CG-CD1 3.79Å; I699-L815 HydrophobicContact CB-CD1 4.47Å; I699-L815 HydrophobicContact CG2-CB 4.18Å; I699-L815 HydrophobicContact CG2-CD1 4.15Å; E700-L815 HydrophobicContact CG-CD1 3.94Å; E700-L815 HydrophobicContact CG-CD2 4.33Å; L703-L815 HydrophobicContact CD1-CD2 4.21Å; L811-L815 WeakPolarHBondContact O-CB 3.13Å; L811-L815 PolarHBondContact O-N 2.75Å; N812-L815 WeakPolarHBondContact O-CB 3.26Å; N812-L815 PolarHBondContact O-N 3.48Å; V813-L815 VanDerWaalsContact C-N 3.3Å; V813-L815 PolarHBondContact O-N 3.17Å; L815-N818 PolarHBondContact O-N 2.92Å; L815-S819 PolarHBondContact O-N 3.31Å; L815-S819 PolarHBondContact O-OG 3.49Å |
| 816 | Q | 77 | Confident | 69.3 | Low | 99 Ų | 99 | 70.5 Ų | 70.5 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 176.2 | -73.1 | 177.7 | 2.2 | 0 | 0 | 111.8 | N812 V813 N818 S819 Y834 | N812-Q816 WeakPolarHBondContact O-CG 3.4Å; N812-Q816 PolarHBondContact O-N 3.37Å; V813-Q816 WeakPolarHBondContact O-CB 3.44Å; V813-Q816 PolarHBondContact O-N 2.91Å; Q816-N818 VanDerWaalsContact C-N 3.32Å; Q816-N818 PolarHBondContact O-N 3.27Å; Q816-S819 PolarHBondContact O-N 3.33Å; Q816-Y834 HydrophobicContact CB-CE1 4.44Å |
| 817 | I | 72.4 | Confident | 66.8 | Low | 41 Ų | 41 | 72.5 Ų | 72.5 | 21% | 0.21 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.6 | -69.8 | 158.5 | 0 | 0 | 0 | 111.3 | V813 L814 S819 Y834 I838 | V813-I817 HydrophobicContact CG1-CD1 4.32Å; V813-I817 PolarHBondContact O-N 2.93Å; V813-I817 VanDerWaalsContact O-N 3.1Å; L814-I817 HydrophobicContact CD2-CD1 4.45Å; I817-S819 PolarHBondContact O-N 2.97Å; I817-Y834 HydrophobicContact CG1-CD2 4.39Å; I817-Y834 HydrophobicContact CG1-CG 4.07Å; I817-I838 HydrophobicContact CD1-CD1 3.46Å; I817-I838 VanDerWaalsContact CD1-CD1 3.46Å |
| 818 | N | 66.8 | Low | 64.8 | Low | 31 Ų | 31 | 79.2 Ų | 79.2 | 17% | 0.166 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -11.9 | 177.5 | -83 | -33.9 | 0 | 0 | 0 | 114.3 | L695 Y751 L814 L815 Q816 | L695-N818 VanDerWaalsContact CD2-ND2 3.31Å; L695-N818 WeakPolarHBondContact CD2-ND2 3.41Å; Y751-N818 PolarHBondContact OH-OD1 2.84Å; Y751-N818 VanDerWaalsContact OH-OD1 3.06Å; L814-N818 PolarHBondContact O-N 3.35Å; L815-N818 PolarHBondContact O-N 2.92Å; Q816-N818 VanDerWaalsContact C-N 3.32Å; Q816-N818 PolarHBondContact O-N 3.27Å |
| 819 | S | 62.7 | Low | 62.9 | Low | 61 Ų | 61 | 88.5 Ų | 88.5 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -6.2 | -176.9 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | L815 Q816 I817 D821 | L815-S819 PolarHBondContact O-N 3.31Å; L815-S819 PolarHBondContact O-OG 3.49Å; Q816-S819 PolarHBondContact O-N 3.33Å; I817-S819 PolarHBondContact O-N 2.97Å; S819-D821 PolarHBondContact O-N 3.49Å; S819-D821 VanDerWaalsContact O-N 3.09Å |
| 820 | I | 55.8 | Low | 61.3 | Low | 85 Ų | 85 | 87.5 Ų | 87.5 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -76.7 | 97.5 | 174.9 | -58.9 | 174.1 | 0 | 0 | 0 | 108.1 | Y834 | I820-Y834 HydrophobicContact CD1-CE2 3.87Š|
| 821 | D | 49.6 | Very low | 59.7 | Low | 135 Ų | 135 | 92.2 Ų | 92.2 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | trans | -55.9 | 135.4 | 173.7 | -78.8 | -42.3 | 0 | 0 | 0 | 111.1 | S819 D823 | S819-D821 PolarHBondContact O-N 3.49Å; S819-D821 VanDerWaalsContact O-N 3.09Å; D821-D823 PolarHBondContact O-N 3.26Å | ||
| 822 | Q | 46.5 | Very low | 58.4 | Low | 179 Ų | 179 | 97.4 Ų | 97.4 | 84% | 0.836 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 4.7 | -176.2 | -76.5 | -146.4 | -18.2 | 0 | 0 | 116 | ||
| 823 | D | 44.3 | Very low | 58 | Low | 148 Ų | 148 | 98.9 Ų | 98.9 | 79% | 0.791 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -5.1 | -176.6 | -71.8 | -21.6 | 0 | 0 | 0 | 114.7 | D821 | D821-D823 PolarHBondContact O-N 3.26Š|
| 824 | H | 37.6 | Very low | 57.6 | Low | 170 Ų | 170 | 100.8 Ų | 100.8 | 79% | 0.787 | 51% | 0.512 | S | S | * | . | trans | -113.3 | 80.3 | 176.6 | -80.3 | -53.1 | 0 | 0 | 0 | 113.6 | N826 | H824-N826 PolarHBondContact O-N 2.85Š| ||
| 825 | I | 35.2 | Very low | 57.4 | Low | 162 Ų | 162 | 104.1 Ų | 104.1 | 83% | 0.831 | 53% | 0.527 | S | S | * | . | trans | -73.3 | 52.9 | 176.5 | -58.8 | 164.3 | 0 | 0 | 0 | 112.2 | ||||
| 826 | N | 37.5 | Very low | 57.3 | Low | 156 Ų | 156 | 106.7 Ų | 106.7 | 83% | 0.834 | 54% | 0.541 | S | S | * | . | trans | -148.6 | 55.4 | 177.2 | -141.5 | 21.3 | 0 | 0 | 0 | 116.4 | H824 | H824-N826 PolarHBondContact O-N 2.85Š| ||
| 827 | C | 38.2 | Very low | 57.6 | Low | 58 Ų | 58 | 104.2 Ų | 104.2 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | trans | -166.4 | 78.2 | 159.5 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | Y829 D830 | C827-Y829 PolarHBondContact O-N 3.45Å; C827-D830 HydrophobicContact CB-CB 4.21Å; C827-D830 WeakPolarHBondContact CB-OD2 3.35Å; C827-D830 PolarHBondContact O-N 3.26Å; C827-D830 PolarHBondContact SG-OD2 2.7Å | ||
| 828 | N | 47.7 | Very low | 58.3 | Low | 143 Ų | 143 | 102.3 Ų | 102.3 | 77% | 0.765 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -54.1 | -15.8 | 160.9 | -95.8 | -3.1 | 0 | 0 | 0 | 112.8 | ||
| 829 | Y | 46.3 | Very low | 59.2 | Low | 211 Ų | 211 | 106.2 Ų | 106.2 | 83% | 0.827 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.6 | -27.4 | 175.1 | -103.8 | -89 | 0 | 0 | 0 | 114.4 | C827 | C827-Y829 PolarHBondContact O-N 3.45Å |
| 830 | D | 54.5 | Low | 60.4 | Low | 67 Ų | 67 | 109.4 Ų | 109.4 | 36% | 0.358 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -82.6 | -34.4 | -175.1 | -75.3 | -25.2 | 0 | 0 | 0 | 112.3 | C827 D832 N833 Y834 | C827-D830 HydrophobicContact CB-CB 4.21Å; C827-D830 WeakPolarHBondContact CB-OD2 3.35Å; C827-D830 PolarHBondContact O-N 3.26Å; C827-D830 PolarHBondContact SG-OD2 2.7Å; D830-D832 PolarHBondContact O-N 2.97Å; D830-N833 WeakPolarHBondContact O-CB 3.29Å; D830-N833 PolarHBondContact O-N 3.14Å; D830-N833 VanDerWaalsContact O-N 3.15Å; D830-Y834 HydrophobicContact CB-CE2 4.05Å; D830-Y834 WeakPolarHBondContact O-CD2 3.37Å; D830-Y834 PolarHBondContact O-N 3.27Å; D830-Y834 VanDerWaalsContact O-N 3.15Å |
| 831 | N | 55.2 | Low | 62 | Low | 98 Ų | 98 | 108.1 Ų | 108.1 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 179.4 | -80.3 | -12.7 | 0 | 0 | 0 | 113.2 | N833 F835 | N831-N833 VanDerWaalsContact C-N 3.28Å; N831-N833 PolarHBondContact O-N 3.23Å; N831-F835 WeakPolarHBondContact O-CB 3.47Å; N831-F835 PolarHBondContact O-N 2.91Å; N831-F835 VanDerWaalsContact O-N 3.12Å |
| 832 | D | 62.1 | Low | 63.9 | Low | 110 Ų | 110 | 102.1 Ų | 102.1 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -33.1 | 175.9 | -77.3 | -18.4 | 0 | 0 | 0 | 111.6 | D830 N836 | D830-D832 PolarHBondContact O-N 2.97Å; D832-N836 WeakPolarHBondContact O-CB 3.45Å; D832-N836 PolarHBondContact O-N 3.4Å; D832-N836 VanDerWaalsContact O-N 3.09Å; D832-N836 PolarHBondContact O-ND2 3.22Å |
| 833 | N | 76 | Confident | 65.9 | Low | 81 Ų | 81 | 97.5 Ų | 97.5 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -48.6 | 178.5 | -171.4 | 10.1 | 0 | 0 | 0 | 111.5 | D830 N831 F835 N836 Q837 | D830-N833 WeakPolarHBondContact O-CB 3.29Å; D830-N833 PolarHBondContact O-N 3.14Å; D830-N833 VanDerWaalsContact O-N 3.15Å; N831-N833 VanDerWaalsContact C-N 3.28Å; N831-N833 PolarHBondContact O-N 3.23Å; N833-F835 VanDerWaalsContact C-N 3.34Å; N833-F835 PolarHBondContact O-N 3.1Å; N833-N836 PolarHBondContact O-N 3.42Å; N833-Q837 WeakPolarHBondContact O-CG 3.28Å; N833-Q837 PolarHBondContact O-N 3.32Å; N833-Q837 PolarHBondContact OD1-NE2 3.49Å |
| 834 | Y | 77.6 | Confident | 68.1 | Low | 46 Ų | 46 | 94.3 Ų | 94.3 | 18% | 0.18 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 177.9 | -64.5 | -64.3 | 0 | 0 | 0 | 112.5 | V813 Q816 I817 I820 D830 N836 Q837 I838 | V813-Y834 HydrophobicContact CG1-CD1 4.11Å; Q816-Y834 HydrophobicContact CB-CE1 4.44Å; I817-Y834 HydrophobicContact CG1-CD2 4.39Å; I817-Y834 HydrophobicContact CG1-CG 4.07Å; I820-Y834 HydrophobicContact CD1-CE2 3.87Å; D830-Y834 HydrophobicContact CB-CE2 4.05Å; D830-Y834 WeakPolarHBondContact O-CD2 3.37Å; D830-Y834 PolarHBondContact O-N 3.27Å; D830-Y834 VanDerWaalsContact O-N 3.15Å; Y834-N836 VanDerWaalsContact C-N 3.31Å; Y834-N836 PolarHBondContact O-N 3.45Å; Y834-Q837 PolarHBondContact O-N 2.94Å; Y834-I838 WeakPolarHBondContact O-CG1 3.32Å; Y834-I838 PolarHBondContact O-N 3.49Å |
| 835 | F | 79.7 | Confident | 70.5 | Confident | 72 Ų | 72 | 86.3 Ų | 86.3 | 32% | 0.316 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 177.1 | -170.7 | -108.3 | 0 | 0 | 0 | 112 | L752 N831 N833 K839 | L752-F835 HydrophobicContact CB-CD2 4.41Å; L752-F835 HydrophobicContact CB-CE2 4.01Å; L752-F835 HydrophobicContact CD1-CD2 3.83Å; L752-F835 HydrophobicContact CD1-CE2 3.72Å; L752-F835 HydrophobicContact CG-CD2 4.48Å; L752-F835 HydrophobicContact CG-CE2 4.4Å; N831-F835 WeakPolarHBondContact O-CB 3.47Å; N831-F835 PolarHBondContact O-N 2.91Å; N831-F835 VanDerWaalsContact O-N 3.12Å; N833-F835 VanDerWaalsContact C-N 3.34Å; N833-F835 PolarHBondContact O-N 3.1Å; F835-K839 HydrophobicContact CD1-CD 4.22Å; F835-K839 HydrophobicContact CE1-CD 3.97Å; F835-K839 HydrophobicContact CZ-CD 4.47Å; F835-K839 VanDerWaalsContact CZ-CE 3.41Å; F835-K839 WeakPolarHBondContact O-CG 3.33Å; F835-K839 PolarHBondContact O-N 2.9Å; F835-K839 VanDerWaalsContact O-N 3.15Å |
| 836 | N | 80 | Confident | 73.1 | Confident | 87 Ų | 87 | 82.2 Ų | 82.2 | 47% | 0.465 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 173.4 | -70.8 | -29.7 | 0 | 0 | 0 | 111.8 | D832 N833 Y834 I838 K839 E840 | D832-N836 WeakPolarHBondContact O-CB 3.45Å; D832-N836 PolarHBondContact O-N 3.4Å; D832-N836 VanDerWaalsContact O-N 3.09Å; D832-N836 PolarHBondContact O-ND2 3.22Å; N833-N836 PolarHBondContact O-N 3.42Å; Y834-N836 VanDerWaalsContact C-N 3.31Å; Y834-N836 PolarHBondContact O-N 3.45Å; N836-I838 PolarHBondContact O-N 3.07Å; N836-K839 PolarHBondContact O-N 2.94Å; N836-E840 WeakPolarHBondContact O-CG 3.44Å; N836-E840 PolarHBondContact O-N 3.25Å |
| 837 | Q | 84.2 | Confident | 75.6 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.8 | -71.6 | 173.9 | 18.9 | 0 | 0 | 112.4 | V813 N833 Y834 K839 E840 Y841 | V813-Q837 HydrophobicContact CG1-CB 4.49Å; N833-Q837 WeakPolarHBondContact O-CG 3.28Å; N833-Q837 PolarHBondContact O-N 3.32Å; N833-Q837 PolarHBondContact OD1-NE2 3.49Å; Y834-Q837 PolarHBondContact O-N 2.94Å; Q837-K839 VanDerWaalsContact C-N 3.3Å; Q837-K839 PolarHBondContact O-N 3.27Å; Q837-E840 PolarHBondContact O-N 2.96Å; Q837-Y841 HydrophobicContact CB-CE2 4.44Å; Q837-Y841 WeakPolarHBondContact O-CD2 3.37Å; Q837-Y841 PolarHBondContact O-N 2.73Å |
| 838 | I | 86 | Confident | 78 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 175.3 | -74.1 | 169.1 | 0 | 0 | 0 | 110.4 | L748 L752 L810 V813 L814 I817 Y834 N836 E840 Y841 L842 | L748-I838 HydrophobicContact CD2-CG2 3.71Å; L752-I838 HydrophobicContact CD1-CD1 4.18Å; L752-I838 HydrophobicContact CD1-CG2 4.19Å; L752-I838 HydrophobicContact CD2-CD1 4.21Å; L810-I838 HydrophobicContact CD1-CB 4.21Å; L810-I838 HydrophobicContact CD1-CG1 4.06Å; L810-I838 HydrophobicContact CD1-CG2 4Å; V813-I838 HydrophobicContact CG1-CD1 4.36Å; V813-I838 HydrophobicContact CG1-CG1 3.85Å; L814-I838 HydrophobicContact CD2-CD1 3.7Å; L814-I838 HydrophobicContact CD2-CG1 4.39Å; I817-I838 HydrophobicContact CD1-CD1 3.46Å; I817-I838 VanDerWaalsContact CD1-CD1 3.46Å; Y834-I838 WeakPolarHBondContact O-CG1 3.32Å; Y834-I838 PolarHBondContact O-N 3.49Å; N836-I838 PolarHBondContact O-N 3.07Å; I838-E840 VanDerWaalsContact C-N 3.34Å; I838-E840 PolarHBondContact O-N 3.44Å; I838-Y841 PolarHBondContact O-N 3.12Å; I838-L842 HydrophobicContact CG2-CD1 3.82Å; I838-L842 HydrophobicContact CG2-CG 4.33Å; I838-L842 WeakPolarHBondContact O-CB 3.48Å; I838-L842 VanDerWaalsContact O-CG 3.25Å; I838-L842 WeakPolarHBondContact O-CG 3.34Å; I838-L842 PolarHBondContact O-N 3.4Å |
| 839 | K | 86.1 | Confident | 79.9 | Confident | 113 Ų | 113 | 70.7 Ų | 70.7 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 178.3 | -77.5 | -178.2 | 171.4 | -177.8 | 0 | 112.9 | F835 N836 Q837 S843 | F835-K839 HydrophobicContact CD1-CD 4.22Å; F835-K839 HydrophobicContact CE1-CD 3.97Å; F835-K839 HydrophobicContact CZ-CD 4.47Å; F835-K839 VanDerWaalsContact CZ-CE 3.41Å; F835-K839 WeakPolarHBondContact O-CG 3.33Å; F835-K839 PolarHBondContact O-N 2.9Å; F835-K839 VanDerWaalsContact O-N 3.15Å; N836-K839 PolarHBondContact O-N 2.94Å; Q837-K839 VanDerWaalsContact C-N 3.3Å; Q837-K839 PolarHBondContact O-N 3.27Å; K839-S843 WeakPolarHBondContact O-CB 3.26Å; K839-S843 PolarHBondContact O-N 3.25Å |
| 840 | E | 88 | Confident | 81.9 | Confident | 128 Ų | 128 | 67.2 Ų | 67.2 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.8 | -49.8 | 175.7 | -75.5 | -178.7 | 169.8 | 0 | 0 | 111.2 | N836 Q837 I838 L842 S843 M844 | N836-E840 WeakPolarHBondContact O-CG 3.44Å; N836-E840 PolarHBondContact O-N 3.25Å; Q837-E840 PolarHBondContact O-N 2.96Å; I838-E840 VanDerWaalsContact C-N 3.34Å; I838-E840 PolarHBondContact O-N 3.44Å; E840-L842 PolarHBondContact O-N 3.43Å; E840-S843 WeakPolarHBondContact O-CB 3.37Å; E840-S843 PolarHBondContact O-N 2.98Å; E840-S843 VanDerWaalsContact O-N 3.17Å; E840-M844 WeakPolarHBondContact O-CG 3.48Å; E840-M844 PolarHBondContact O-N 3.09Å |
| 841 | Y | 90.4 | Very high | 83.4 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.6 | -71.7 | -59.2 | 0 | 0 | 0 | 112.8 | E809 L810 V813 Q837 I838 S843 M844 I845 | E809-Y841 HydrophobicContact CB-CD1 4.27Å; E809-Y841 HydrophobicContact CB-CE1 3.67Å; E809-Y841 HydrophobicContact CB-CE2 4.24Å; E809-Y841 HydrophobicContact CG-CE1 4.39Å; L810-Y841 HydrophobicContact CB-CG 4.47Å; V813-Y841 HydrophobicContact CG2-CD2 4.43Å; V813-Y841 HydrophobicContact CG2-CE2 3.92Å; Q837-Y841 HydrophobicContact CB-CE2 4.44Å; Q837-Y841 WeakPolarHBondContact O-CD2 3.37Å; Q837-Y841 PolarHBondContact O-N 2.73Å; I838-Y841 PolarHBondContact O-N 3.12Å; Y841-S843 VanDerWaalsContact C-N 3.3Å; Y841-S843 PolarHBondContact O-N 2.9Å; Y841-M844 PolarHBondContact O-N 3.49Å; Y841-I845 WeakPolarHBondContact O-CG1 3.12Å; Y841-I845 PolarHBondContact O-N 3.21Å |
| 842 | L | 88.8 | Confident | 84.8 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 173.7 | -74 | 171.1 | 0 | 0 | 0 | 111.4 | F741 F744 E745 L748 L810 I838 E840 H846 | F741-L842 HydrophobicContact CE1-CD2 4.45Å; F741-L842 HydrophobicContact CE2-CD2 4.18Å; F741-L842 HydrophobicContact CZ-CD2 3.68Å; F744-L842 HydrophobicContact CD1-CD2 4.44Å; F744-L842 HydrophobicContact CE1-CD2 4.06Å; E745-L842 HydrophobicContact CB-CD2 4.31Å; E745-L842 HydrophobicContact CG-CD1 4.06Å; E745-L842 HydrophobicContact CG-CD2 4.35Å; L748-L842 HydrophobicContact CD2-CD1 4.22Å; L748-L842 HydrophobicContact CD2-CD2 4.48Å; L810-L842 HydrophobicContact CD2-CD2 4.03Å; I838-L842 HydrophobicContact CG2-CD1 3.82Å; I838-L842 HydrophobicContact CG2-CG 4.33Å; I838-L842 WeakPolarHBondContact O-CB 3.48Å; I838-L842 VanDerWaalsContact O-CG 3.25Å; I838-L842 WeakPolarHBondContact O-CG 3.34Å; I838-L842 PolarHBondContact O-N 3.4Å; E840-L842 PolarHBondContact O-N 3.43Å; L842-H846 WeakPolarHBondContact O-CB 3.4Å; L842-H846 PolarHBondContact O-N 2.98Å |
| 843 | S | 88.5 | Confident | 85.9 | Confident | 82 Ų | 82 | 57 Ų | 57 | 57% | 0.573 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 178.2 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | K839 E840 Y841 H846 S847 | K839-S843 WeakPolarHBondContact O-CB 3.26Å; K839-S843 PolarHBondContact O-N 3.25Å; E840-S843 WeakPolarHBondContact O-CB 3.37Å; E840-S843 PolarHBondContact O-N 2.98Å; E840-S843 VanDerWaalsContact O-N 3.17Å; Y841-S843 VanDerWaalsContact C-N 3.3Å; Y841-S843 PolarHBondContact O-N 2.9Å; S843-H846 PolarHBondContact O-N 3.44Å; S843-S847 WeakPolarHBondContact O-CB 3.34Å; S843-S847 PolarHBondContact O-N 3.15Å |
| 844 | M | 90.1 | Very high | 86.2 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 176.4 | -71.7 | 174.7 | 61.6 | 0 | 0 | 111.6 | E806 E840 Y841 H846 S847 H848 | E806-M844 HydrophobicContact CG-CE 4.08Å; E806-M844 WeakPolarHBondContact OE1-CE 3.45Å; E840-M844 WeakPolarHBondContact O-CG 3.48Å; E840-M844 PolarHBondContact O-N 3.09Å; Y841-M844 PolarHBondContact O-N 3.49Å; M844-H846 VanDerWaalsContact C-N 3.32Å; M844-H846 PolarHBondContact O-N 3.49Å; M844-S847 WeakPolarHBondContact O-CB 3.38Å; M844-S847 PolarHBondContact O-N 2.89Å; M844-S847 VanDerWaalsContact O-N 3.1Å; M844-H848 PolarHBondContact O-N 2.92Å; M844-H848 PolarHBondContact O-ND1 2.66Å |
| 845 | I | 88.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 177.9 | -65.3 | 166.1 | 0 | 0 | 0 | 110.7 | F741 I803 E806 F807 L810 Y841 S847 H848 L849 | F741-I845 HydrophobicContact CD2-CG2 3.81Å; F741-I845 HydrophobicContact CE1-CB 4.41Å; F741-I845 HydrophobicContact CE1-CG2 4.11Å; F741-I845 HydrophobicContact CE2-CB 3.85Å; F741-I845 HydrophobicContact CE2-CD1 3.91Å; F741-I845 HydrophobicContact CE2-CG1 4.49Å; F741-I845 HydrophobicContact CE2-CG2 3.32Å; F741-I845 HydrophobicContact CG-CG2 4.39Å; F741-I845 HydrophobicContact CZ-CB 3.63Å; F741-I845 HydrophobicContact CZ-CD1 4.25Å; F741-I845 HydrophobicContact CZ-CG2 3.49Å; F741-I845 VanDerWaalsContact CZ-CG2 3.49Å; I803-I845 HydrophobicContact CG2-CG2 4Å; E806-I845 HydrophobicContact CB-CD1 4.14Å; E806-I845 HydrophobicContact CB-CG1 3.64Å; E806-I845 PolarHBondContact OE2-N 3.47Å; F807-I845 HydrophobicContact CB-CD1 4.21Å; F807-I845 HydrophobicContact CD2-CD1 4.49Å; L810-I845 HydrophobicContact CD2-CD1 4.37Å; Y841-I845 WeakPolarHBondContact O-CG1 3.12Å; Y841-I845 PolarHBondContact O-N 3.21Å; I845-S847 VanDerWaalsContact C-N 3.29Å; I845-S847 PolarHBondContact O-N 3.27Å; I845-H848 PolarHBondContact O-N 2.87Å; I845-L849 HydrophobicContact CG2-CD1 3.89Å; I845-L849 HydrophobicContact CG2-CG 4.26Å; I845-L849 WeakPolarHBondContact O-CB 3.42Å; I845-L849 WeakPolarHBondContact O-CG 3.4Å; I845-L849 PolarHBondContact O-N 2.9Å |
| 846 | H | 89.5 | Confident | 86.1 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 35% | 0.347 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 177.7 | -154.5 | 104.1 | 0 | 0 | 0 | 111.8 | F741 N742 L842 S843 M844 K850 | F741-H846 HydrophobicContact CE1-CB 4.18Å; F741-H846 AromaticContact CE1-ND1 4Å; N742-H846 PolarHBondContact OD1-CE1 3.41Å; N742-H846 VanDerWaalsContact OD1-CE1 3.27Å; L842-H846 WeakPolarHBondContact O-CB 3.4Å; L842-H846 PolarHBondContact O-N 2.98Å; S843-H846 PolarHBondContact O-N 3.44Å; M844-H846 VanDerWaalsContact C-N 3.32Å; M844-H846 PolarHBondContact O-N 3.49Å; H846-K850 VanDerWaalsContact O-CB 3.31Å; H846-K850 WeakPolarHBondContact O-CB 3.5Å; H846-K850 PolarHBondContact O-N 3.39Å; H846-K850 VanDerWaalsContact O-N 3.11Å |
| 847 | S | 89 | Confident | 85.9 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 174.6 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | S843 M844 I845 K850 S851 | S843-S847 WeakPolarHBondContact O-CB 3.34Å; S843-S847 PolarHBondContact O-N 3.15Å; M844-S847 WeakPolarHBondContact O-CB 3.38Å; M844-S847 PolarHBondContact O-N 2.89Å; M844-S847 VanDerWaalsContact O-N 3.1Å; I845-S847 VanDerWaalsContact C-N 3.29Å; I845-S847 PolarHBondContact O-N 3.27Å; S847-K850 PolarHBondContact O-N 2.9Å; S847-S851 PolarHBondContact O-N 3.39Å |
| 848 | H | 89.5 | Confident | 85.1 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 179.1 | -71.2 | 135.5 | 0 | 0 | 0 | 113 | I803 E806 M844 I845 K850 S851 M852 | I803-H848 HydrophobicContact CD1-CB 3.84Å; I803-H848 HydrophobicContact CG1-CB 3.49Å; I803-H848 VanDerWaalsContact CG1-CB 3.49Å; E806-H848 VanDerWaalsContact CD-ND1 3.28Å; E806-H848 IonicContact OE1-CE1 4Å; E806-H848 PolarHBondContact OE1-CE1 3.07Å; E806-H848 IonicContact OE1-ND1 2.89Å; E806-H848 PolarHBondContact OE1-ND1 3.22Å; E806-H848 IonicContact OE2-CE1 2.74Å; E806-H848 IonicContact OE2-CG 3.84Å; E806-H848 IonicContact OE2-ND1 2.65Å; E806-H848 PolarHBondContact OE2-ND1 3.11Å; M844-H848 PolarHBondContact O-N 2.92Å; M844-H848 PolarHBondContact O-ND1 2.66Å; I845-H848 PolarHBondContact O-N 2.87Å; H848-K850 VanDerWaalsContact C-N 3.27Å; H848-K850 PolarHBondContact O-N 3.43Å; H848-S851 PolarHBondContact O-N 3Å; H848-M852 WeakPolarHBondContact O-CB 3.32Å; H848-M852 PolarHBondContact O-N 2.92Å |
| 849 | L | 88.5 | Confident | 84.1 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 173.7 | -75.9 | 173 | 0 | 0 | 0 | 111.8 | L734 V737 I738 F741 I803 I845 S853 | L734-L849 HydrophobicContact CD1-CD2 3.81Å; V737-L849 HydrophobicContact CG1-CD2 3.88Å; I738-L849 HydrophobicContact CG1-CB 4.06Å; I738-L849 HydrophobicContact CG1-CD1 4.31Å; I738-L849 HydrophobicContact CG1-CD2 4.39Å; F741-L849 HydrophobicContact CB-CD1 4.03Å; F741-L849 HydrophobicContact CD1-CD1 4.06Å; F741-L849 HydrophobicContact CD2-CD1 4.46Å; F741-L849 HydrophobicContact CG-CD1 3.91Å; I803-L849 HydrophobicContact CD1-CD2 3.73Å; I803-L849 HydrophobicContact CD1-CG 3.9Å; I845-L849 HydrophobicContact CG2-CD1 3.89Å; I845-L849 HydrophobicContact CG2-CG 4.26Å; I845-L849 WeakPolarHBondContact O-CB 3.42Å; I845-L849 WeakPolarHBondContact O-CG 3.4Å; I845-L849 PolarHBondContact O-N 2.9Å; L849-S853 PolarHBondContact O-N 2.86Å |
| 850 | K | 87.5 | Confident | 82.7 | Confident | 137 Ų | 137 | 54 Ų | 54 | 60% | 0.596 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -70.2 | -40.9 | 177.6 | -168.8 | 175.4 | -178 | 178.7 | 0 | 112.2 | H846 S847 H848 S853 I854 | H846-K850 VanDerWaalsContact O-CB 3.31Å; H846-K850 WeakPolarHBondContact O-CB 3.5Å; H846-K850 PolarHBondContact O-N 3.39Å; H846-K850 VanDerWaalsContact O-N 3.11Å; S847-K850 PolarHBondContact O-N 2.9Å; H848-K850 VanDerWaalsContact C-N 3.27Å; H848-K850 PolarHBondContact O-N 3.43Å; K850-S853 WeakPolarHBondContact O-CB 3.38Å; K850-S853 PolarHBondContact O-N 3.15Å; K850-I854 WeakPolarHBondContact O-CG1 3.42Å; K850-I854 PolarHBondContact O-N 3.01Å; K850-I854 VanDerWaalsContact O-N 3.11Å |
| 851 | S | 86 | Confident | 80.8 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 31% | 0.308 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 173.9 | -164.7 | 0 | 0 | 0 | 0 | 111.1 | S847 H848 S853 I854 E855 | S847-S851 PolarHBondContact O-N 3.39Å; H848-S851 PolarHBondContact O-N 3Å; S851-S853 VanDerWaalsContact C-N 3.29Å; S851-S853 PolarHBondContact O-N 3.5Å; S851-I854 WeakPolarHBondContact O-CB 3.44Å; S851-I854 PolarHBondContact O-N 2.86Å; S851-E855 WeakPolarHBondContact O-CG 3.12Å; S851-E855 PolarHBondContact O-N 3.44Å |
| 852 | M | 84.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 176.7 | -166.1 | -176.2 | -60.6 | 0 | 0 | 112.2 | L734 L776 C796 N799 L800 I803 H848 I854 E855 L856 | L734-M852 HydrophobicContact CD1-CG 4.43Å; L734-M852 HydrophobicContact CD1-SD 3.75Å; L734-M852 HydrophobicContact CD2-CB 4.12Å; L734-M852 HydrophobicContact CD2-CG 4Å; L734-M852 HydrophobicContact CD2-SD 4.32Å; L776-M852 HydrophobicContact CD2-SD 4.16Å; C796-M852 HydrophobicContact CB-CG 4.36Å; C796-M852 WeakPolarHBondContact O-CE 3.26Å; C796-M852 WeakPolarHBondContact SG-CG 3.44Å; N799-M852 HydrophobicContact CB-CB 4.47Å; N799-M852 HydrophobicContact CB-CE 3.68Å; L800-M852 HydrophobicContact CB-CE 3.76Å; L800-M852 HydrophobicContact CD1-CE 3.78Å; L800-M852 HydrophobicContact CD1-SD 4.23Å; L800-M852 HydrophobicContact CG-CE 4.39Å; I803-M852 HydrophobicContact CD1-CE 3.67Å; H848-M852 WeakPolarHBondContact O-CB 3.32Å; H848-M852 PolarHBondContact O-N 2.92Å; M852-I854 VanDerWaalsContact C-N 3.33Å; M852-I854 PolarHBondContact O-N 2.83Å; M852-E855 PolarHBondContact O-N 2.98Å; M852-L856 HydrophobicContact CG-CD1 4.01Å; M852-L856 WeakPolarHBondContact O-CB 3.39Å; M852-L856 WeakPolarHBondContact O-CG 3.44Å; M852-L856 PolarHBondContact O-N 3.41Å |
| 853 | S | 85 | Confident | 76.4 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 175 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | L734 L849 K850 S851 K857 | L734-S853 VanDerWaalsContact CD2-CA 3.48Å; L849-S853 PolarHBondContact O-N 2.86Å; K850-S853 WeakPolarHBondContact O-CB 3.38Å; K850-S853 PolarHBondContact O-N 3.15Å; S851-S853 VanDerWaalsContact C-N 3.29Å; S851-S853 PolarHBondContact O-N 3.5Å; S853-K857 WeakPolarHBondContact O-CB 3.48Å; S853-K857 VanDerWaalsContact O-CG 3.25Å; S853-K857 WeakPolarHBondContact O-CG 3.46Å; S853-K857 PolarHBondContact O-N 3.26Å |
| 854 | I | 82.2 | Confident | 74 | Confident | 96 Ų | 96 | 58.9 Ų | 58.9 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 177.1 | -65.1 | 163.1 | 0 | 0 | 0 | 110.4 | K850 S851 M852 L856 K857 N858 | K850-I854 WeakPolarHBondContact O-CG1 3.42Å; K850-I854 PolarHBondContact O-N 3.01Å; K850-I854 VanDerWaalsContact O-N 3.11Å; S851-I854 WeakPolarHBondContact O-CB 3.44Å; S851-I854 PolarHBondContact O-N 2.86Å; M852-I854 VanDerWaalsContact C-N 3.33Å; M852-I854 PolarHBondContact O-N 2.83Å; I854-L856 PolarHBondContact O-N 2.86Å; I854-K857 PolarHBondContact O-N 3.4Å; I854-N858 PolarHBondContact O-N 3.44Å; I854-N858 PolarHBondContact O-ND2 3.43Å |
| 855 | E | 79.4 | Confident | 71.1 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 177.7 | -71.3 | 169.9 | -171.5 | 0 | 0 | 111.9 | N795 C796 N799 S851 M852 N858 L859 | N795-E855 VanDerWaalsContact CB-CD 3.47Å; N795-E855 WeakPolarHBondContact CB-OE1 3.36Å; N795-E855 WeakPolarHBondContact CB-OE2 3.44Å; C796-E855 PolarHBondContact N-OE2 3.45Å; C796-E855 VanDerWaalsContact N-OE2 3.12Å; N799-E855 PolarHBondContact ND2-OE1 2.93Å; N799-E855 VanDerWaalsContact ND2-OE1 3.12Å; N799-E855 PolarHBondContact ND2-OE2 3.45Å; S851-E855 WeakPolarHBondContact O-CG 3.12Å; S851-E855 PolarHBondContact O-N 3.44Å; M852-E855 PolarHBondContact O-N 2.98Å; E855-N858 PolarHBondContact O-N 3.42Å; E855-L859 PolarHBondContact O-N 2.92Å |
| 856 | L | 74.8 | Confident | 68.3 | Low | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.2 | -30.9 | 178.2 | -77.3 | 168.1 | 0 | 0 | 0 | 113.5 | L730 L731 L734 M852 I854 N858 L859 P860 | L730-L856 HydrophobicContact CD2-CD1 3.89Å; L730-L856 HydrophobicContact CD2-CD2 3.36Å; L730-L856 HydrophobicContact CD2-CG 4.28Å; L730-L856 HydrophobicContact CG-CD1 3.91Å; L730-L856 HydrophobicContact CG-CD2 4.05Å; L731-L856 HydrophobicContact CD1-CB 4.12Å; L734-L856 HydrophobicContact CB-CD1 4.45Å; L734-L856 HydrophobicContact CD2-CD1 3.72Å; M852-L856 HydrophobicContact CG-CD1 4.01Å; M852-L856 WeakPolarHBondContact O-CB 3.39Å; M852-L856 WeakPolarHBondContact O-CG 3.44Å; M852-L856 PolarHBondContact O-N 3.41Å; I854-L856 PolarHBondContact O-N 2.86Å; L856-N858 PolarHBondContact O-N 3.23Å; L856-L859 HydrophobicContact CD2-CD2 4Å; L856-L859 PolarHBondContact O-N 2.89Å; L856-P860 WeakPolarHBondContact O-CD 3.3Å |
| 857 | K | 76.1 | Confident | 65.6 | Low | 120 Ų | 120 | 70.9 Ų | 70.9 | 52% | 0.522 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.2 | -28.9 | 171.6 | -81 | 176.8 | -176.3 | 170.7 | 0 | 112.3 | L731 S853 I854 | L731-K857 HydrophobicContact CD1-CB 4.35Å; L731-K857 HydrophobicContact CD1-CG 3.7Å; S853-K857 WeakPolarHBondContact O-CB 3.48Å; S853-K857 VanDerWaalsContact O-CG 3.25Å; S853-K857 WeakPolarHBondContact O-CG 3.46Å; S853-K857 PolarHBondContact O-N 3.26Å; I854-K857 PolarHBondContact O-N 3.4Å |
| 858 | N | 67.9 | Low | 62.9 | Low | 90 Ų | 90 | 73.6 Ų | 73.6 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -83.1 | -21.2 | 178.3 | -66.6 | -21.4 | 0 | 0 | 0 | 112.9 | I854 E855 L856 N861 C862 | I854-N858 PolarHBondContact O-N 3.44Å; I854-N858 PolarHBondContact O-ND2 3.43Å; E855-N858 PolarHBondContact O-N 3.42Å; L856-N858 PolarHBondContact O-N 3.23Å; N858-N861 PolarHBondContact O-N 3.4Å; N858-N861 VanDerWaalsContact O-N 3.09Å; N858-C862 PolarHBondContact O-N 3.27Å |
| 859 | L | 65.4 | Low | 60.4 | Low | 6 Ų | 6 | 78.8 Ų | 78.8 | 3% | 0.031 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | -177.8 | -163.7 | 70.6 | 0 | 0 | 0 | 113.8 | P727 I783 S792 E855 L856 N861 C862 | P727-L859 HydrophobicContact CB-CD2 3.98Å; P727-L859 HydrophobicContact CB-CG 4.43Å; P727-L859 HydrophobicContact CG-CD2 4.09Å; I783-L859 HydrophobicContact CG2-CD2 4Å; S792-L859 WeakPolarHBondContact OG-CD1 3.5Å; E855-L859 PolarHBondContact O-N 2.92Å; L856-L859 HydrophobicContact CD2-CD2 4Å; L856-L859 PolarHBondContact O-N 2.89Å; L859-N861 VanDerWaalsContact C-N 3.28Å; L859-N861 PolarHBondContact O-N 3.01Å; L859-C862 PolarHBondContact O-N 3.06Å |
| 860 | P | 56.8 | Low | 58.1 | Low | 39 Ų | 39 | 85.8 Ų | 85.8 | 25% | 0.253 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.8 | -28.4 | 170.8 | -22.9 | 31.7 | 0 | 0 | 0 | 114.4 | L856 L863 | L856-P860 WeakPolarHBondContact O-CD 3.3Å; P860-L863 WeakPolarHBondContact O-CB 3.2Å; P860-L863 PolarHBondContact O-N 2.84Å |
| 861 | N | 48.4 | Very low | 55.6 | Low | 101 Ų | 101 | 86.5 Ų | 86.5 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -82.1 | -25.1 | -178 | -73.4 | -12.8 | 0 | 0 | 0 | 112.9 | N858 L859 L863 S864 N865 | N858-N861 PolarHBondContact O-N 3.4Å; N858-N861 VanDerWaalsContact O-N 3.09Å; L859-N861 VanDerWaalsContact C-N 3.28Å; L859-N861 PolarHBondContact O-N 3.01Å; N861-L863 PolarHBondContact O-N 3.18Å; N861-S864 WeakPolarHBondContact CA-OG 3.48Å; N861-S864 PolarHBondContact O-N 3.2Å; N861-S864 PolarHBondContact O-OG 2.86Å; N861-S864 VanDerWaalsContact O-OG 3.13Å; N861-N865 PolarHBondContact O-N 2.99Å |
| 862 | C | 42.6 | Very low | 53.3 | Low | 85 Ų | 85 | 91.3 Ų | 91.3 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.5 | -26.3 | 166.4 | -85.1 | 0 | 0 | 0 | 0 | 112.2 | N858 L859 S864 | N858-C862 PolarHBondContact O-N 3.27Å; L859-C862 PolarHBondContact O-N 3.06Å; C862-S864 VanDerWaalsContact C-N 3.3Å; C862-S864 PolarHBondContact O-N 2.94Å |
| 863 | L | 43.4 | Very low | 51.2 | Low | 122 Ų | 122 | 95.9 Ų | 95.9 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.8 | 175.5 | -73.8 | 157.6 | 0 | 0 | 0 | 113.6 | P727 P860 N861 | P727-L863 HydrophobicContact CG-CD1 4.39Å; P860-L863 WeakPolarHBondContact O-CB 3.2Å; P860-L863 PolarHBondContact O-N 2.84Å; N861-L863 PolarHBondContact O-N 3.18Å |
| 864 | S | 37.4 | Very low | 49.4 | Very low | 70 Ų | 70 | 97 Ų | 97 | 49% | 0.49 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -14 | -174.3 | 53.1 | 0 | 0 | 0 | 0 | 115.4 | N861 C862 | N861-S864 WeakPolarHBondContact CA-OG 3.48Å; N861-S864 PolarHBondContact O-N 3.2Å; N861-S864 PolarHBondContact O-OG 2.86Å; N861-S864 VanDerWaalsContact O-OG 3.13Å; C862-S864 VanDerWaalsContact C-N 3.3Å; C862-S864 PolarHBondContact O-N 2.94Å |
| 865 | N | 30.1 | Very low | 47.9 | Very low | 132 Ų | 132 | 93.6 Ų | 93.6 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -104.3 | -3.2 | -175.9 | -104 | 5.2 | 0 | 0 | 0 | 116.3 | N861 N867 | N861-N865 PolarHBondContact O-N 2.99Å; N865-N867 VanDerWaalsContact C-N 3.28Å; N865-N867 PolarHBondContact O-N 3.11Å |
| 866 | D | 30.3 | Very low | 46.8 | Very low | 141 Ų | 141 | 92.8 Ų | 92.8 | 75% | 0.754 | 51% | 0.505 | S | S | * | . | trans | -85 | 80.2 | 166.8 | -78 | -25.3 | 0 | 0 | 0 | 109.8 | N868 | D866-N868 PolarHBondContact O-N 3.37Š| ||
| 867 | N | 32.9 | Very low | 46.4 | Very low | 137 Ų | 137 | 96.6 Ų | 96.6 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | trans | -66.5 | 34.6 | 172.3 | -96.9 | -29.1 | 0 | 0 | 0 | 113.7 | N865 | N865-N867 VanDerWaalsContact C-N 3.28Å; N865-N867 PolarHBondContact O-N 3.11Å | ||
| 868 | N | 31.5 | Very low | 46 | Very low | 131 Ų | 131 | 93.7 Ų | 93.7 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | trans | -113.9 | 91.1 | 172.2 | -69.9 | -19.3 | 0 | 0 | 0 | 108.5 | D866 D870 | D866-N868 PolarHBondContact O-N 3.37Å; N868-D870 PolarHBondContact O-N 3.28Å | ||
| 869 | N | 38 | Very low | 46 | Very low | 146 Ų | 146 | 89.6 Ų | 89.6 | 78% | 0.781 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 18.2 | 177.9 | -84.5 | -31.4 | 0 | 0 | 0 | 115.2 | ||
| 870 | D | 40.1 | Very low | 46.2 | Very low | 152 Ų | 152 | 91 Ų | 91 | 81% | 0.813 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -4.5 | -175.8 | -70 | -23.8 | 0 | 0 | 0 | 114.6 | N868 | N868-D870 PolarHBondContact O-N 3.28Š|
| 871 | D | 34.2 | Very low | 47.2 | Very low | 153 Ų | 153 | 95.3 Ų | 95.3 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | trans | -110.1 | 24.9 | 179.4 | -81.6 | -25.2 | 0 | 0 | 0 | 114.7 | M873 | D871-M873 PolarHBondContact O-N 3.04Š| ||
| 872 | I | 39 | Very low | 48.6 | Very low | 144 Ų | 144 | 92.3 Ų | 92.3 | 74% | 0.738 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -73.3 | 89 | 152.4 | -57.6 | 175.8 | 0 | 0 | 0 | 105.2 | S874 | I872-S874 PolarHBondContact O-N 3.4Š|
| 873 | M | 40.9 | Very low | 50.4 | Low | 98 Ų | 98 | 88.4 Ų | 88.4 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | trans | -38.9 | 113.6 | 164.8 | -98.1 | -175.8 | 68.9 | 0 | 0 | 107.3 | D871 S875 D877 V878 K881 | D871-M873 PolarHBondContact O-N 3.04Å; M873-S875 PolarHBondContact O-N 2.9Å; M873-D877 HydrophobicContact CE-CB 3.98Å; M873-V878 HydrophobicContact CE-CG2 3.99Å; M873-K881 HydrophobicContact CE-CD 4.4Å | ||
| 874 | S | 46.8 | Very low | 52.2 | Low | 40 Ų | 40 | 86.6 Ų | 86.6 | 28% | 0.28 | 46% | 0.461 | S | S | . | . | trans | -51.2 | 130.5 | 179.8 | 168 | 0 | 0 | 0 | 0 | 107 | I872 T876 D877 | I872-S874 PolarHBondContact O-N 3.4Å; S874-T876 PolarHBondContact O-N 3.38Å; S874-T876 PolarHBondContact OG-OG1 3.09Å; S874-D877 PolarHBondContact N-OD2 3.19Å; S874-D877 WeakPolarHBondContact O-CA 3.2Å; S874-D877 VanDerWaalsContact O-CB 3.29Å; S874-D877 WeakPolarHBondContact O-CB 3.37Å; S874-D877 PolarHBondContact O-N 2.95Å | ||
| 875 | S | 50 | Low | 54.4 | Low | 24 Ų | 24 | 86.3 Ų | 86.3 | 17% | 0.168 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.5 | -12.9 | -175.5 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | M873 I879 Y955 P957 | M873-S875 PolarHBondContact O-N 2.9Å; S875-I879 PolarHBondContact O-N 2.99Å; S875-Y955 WeakPolarHBondContact CB-O 3.43Å; S875-P957 VanDerWaalsContact OG-CD 3.25Å; S875-P957 WeakPolarHBondContact OG-CD 3.37Å; S875-P957 WeakPolarHBondContact OG-CG 3.3Å |
| 876 | T | 56.6 | Low | 56.9 | Low | 14 Ų | 14 | 80.2 Ų | 80.2 | 9% | 0.086 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 162.7 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | S874 V878 I879 Q880 D946 Y955 | S874-T876 PolarHBondContact O-N 3.38Å; S874-T876 PolarHBondContact OG-OG1 3.09Å; T876-V878 VanDerWaalsContact C-N 3.25Å; T876-V878 PolarHBondContact O-N 3.3Å; T876-I879 PolarHBondContact O-N 3.16Å; T876-Q880 WeakPolarHBondContact O-CB 3.44Å; T876-Q880 PolarHBondContact O-N 3.39Å; T876-D946 WeakPolarHBondContact CG2-OD1 3.31Å; T876-Y955 HydrophobicContact CG2-CD2 4.19Å; T876-Y955 HydrophobicContact CG2-CE2 4.14Å; T876-Y955 VanDerWaalsContact OG1-CD2 3.32Å; T876-Y955 WeakPolarHBondContact OG1-CD2 3.41Å |
| 877 | D | 65.3 | Low | 59.5 | Low | 83 Ų | 83 | 76.2 Ų | 76.2 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.8 | -34.5 | -179.2 | -60.4 | -31.8 | 0 | 0 | 0 | 111.2 | M873 S874 K881 | M873-D877 HydrophobicContact CE-CB 3.98Å; S874-D877 PolarHBondContact N-OD2 3.19Å; S874-D877 WeakPolarHBondContact O-CA 3.2Å; S874-D877 VanDerWaalsContact O-CB 3.29Å; S874-D877 WeakPolarHBondContact O-CB 3.37Å; S874-D877 PolarHBondContact O-N 2.95Å; D877-K881 WeakPolarHBondContact O-CB 3.35Å; D877-K881 PolarHBondContact O-N 2.86Å |
| 878 | V | 68.1 | Low | 62 | Low | 59 Ų | 59 | 74.9 Ų | 74.9 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.1 | 178 | 0 | 0 | 0 | 0 | 111.2 | M873 T876 E882 L966 | M873-V878 HydrophobicContact CE-CG2 3.99Å; T876-V878 VanDerWaalsContact C-N 3.25Å; T876-V878 PolarHBondContact O-N 3.3Å; V878-E882 VanDerWaalsContact O-CB 3.27Å; V878-E882 WeakPolarHBondContact O-CB 3.3Å; V878-E882 PolarHBondContact O-N 3.17Å; V878-L966 HydrophobicContact CG1-CD2 4.08Å |
| 879 | I | 68.4 | Low | 64.6 | Low | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.7 | -43.2 | 178.5 | -63.8 | 164.1 | 0 | 0 | 0 | 110.4 | S875 T876 E882 M883 Y955 T962 L965 L966 | S875-I879 PolarHBondContact O-N 2.99Å; T876-I879 PolarHBondContact O-N 3.16Å; I879-E882 PolarHBondContact O-N 2.85Å; I879-M883 HydrophobicContact CG2-CG 4.49Å; I879-M883 WeakPolarHBondContact O-CB 3.48Å; I879-M883 PolarHBondContact O-N 3.42Å; I879-Y955 HydrophobicContact CD1-CD1 2.94Å; I879-Y955 HydrophobicContact CD1-CE1 3.34Å; I879-Y955 HydrophobicContact CD1-CG 3.6Å; I879-Y955 HydrophobicContact CG1-CD1 4.43Å; I879-T962 HydrophobicContact CD1-CG2 3.56Å; I879-T962 HydrophobicContact CG1-CG2 3.96Å; I879-L965 HydrophobicContact CG2-CD2 3.95Å; I879-L966 HydrophobicContact CG1-CD1 3.58Å; I879-L966 HydrophobicContact CG1-CG 4.33Å |
| 880 | Q | 70.3 | Confident | 66.8 | Low | 36 Ų | 36 | 62.8 Ų | 62.8 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 179.9 | -174.6 | 66.7 | -8.5 | 0 | 0 | 110.9 | T876 M883 E884 | T876-Q880 WeakPolarHBondContact O-CB 3.44Å; T876-Q880 PolarHBondContact O-N 3.39Å; Q880-M883 PolarHBondContact O-N 2.79Å; Q880-E884 WeakPolarHBondContact O-CB 3.28Å; Q880-E884 PolarHBondContact O-N 2.81Å |
| 881 | K | 77.1 | Confident | 69 | Low | 130 Ų | 130 | 57.5 Ų | 57.5 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 173.9 | -175.4 | 177.8 | -178.6 | 178.1 | 0 | 111.7 | M873 D877 E884 T885 | M873-K881 HydrophobicContact CE-CD 4.4Å; D877-K881 WeakPolarHBondContact O-CB 3.35Å; D877-K881 PolarHBondContact O-N 2.86Å; K881-E884 PolarHBondContact O-N 2.78Å; K881-T885 WeakPolarHBondContact O-CB 3.48Å; K881-T885 PolarHBondContact O-N 3.47Å; K881-T885 PolarHBondContact O-OG1 2.94Å |
| 882 | E | 77.5 | Confident | 71.5 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 178 | -168 | 73.1 | -136.7 | 0 | 0 | 112.3 | V878 I879 E884 T885 T886 L966 K970 | V878-E882 VanDerWaalsContact O-CB 3.27Å; V878-E882 WeakPolarHBondContact O-CB 3.3Å; V878-E882 PolarHBondContact O-N 3.17Å; I879-E882 PolarHBondContact O-N 2.85Å; E882-E884 VanDerWaalsContact C-N 3.31Å; E882-T885 PolarHBondContact O-N 3.35Å; E882-T886 WeakPolarHBondContact O-CB 3.48Å; E882-T886 PolarHBondContact O-N 3.4Å; E882-T886 PolarHBondContact O-OG1 3.44Å; E882-L966 HydrophobicContact CB-CD2 3.64Å; E882-L966 HydrophobicContact CB-CG 4.34Å; E882-L966 HydrophobicContact CG-CD2 3.64Å; E882-L966 HydrophobicContact CG-CG 4.34Å; E882-K970 HydrophobicContact CG-CG 4.04Å; E882-K970 WeakPolarHBondContact OE1-CE 3.48Å; E882-K970 WeakPolarHBondContact OE1-CG 3.34Å; E882-K970 WeakPolarHBondContact OE2-CE 3.42Å; E882-K970 IonicContact OE2-NZ 3.71Å; E882-K970 PolarHBondContact OE2-NZ 3.21Å |
| 883 | M | 80.7 | Confident | 73.8 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 173.9 | -80.7 | -156.2 | 176.8 | 0 | 0 | 111.5 | I879 Q880 T886 F887 S938 K939 Q942 L965 L1011 | I879-M883 HydrophobicContact CG2-CG 4.49Å; I879-M883 WeakPolarHBondContact O-CB 3.48Å; I879-M883 PolarHBondContact O-N 3.42Å; Q880-M883 PolarHBondContact O-N 2.79Å; M883-T886 PolarHBondContact O-N 2.91Å; M883-F887 VanDerWaalsContact O-CB 3.26Å; M883-F887 WeakPolarHBondContact O-CB 3.4Å; M883-F887 PolarHBondContact O-N 2.91Å; M883-S938 VanDerWaalsContact CE-OG 3.3Å; M883-S938 WeakPolarHBondContact CE-OG 3.36Å; M883-K939 HydrophobicContact SD-CB 4.06Å; M883-Q942 HydrophobicContact CE-CG 3.67Å; M883-Q942 HydrophobicContact SD-CG 3.92Å; M883-L965 HydrophobicContact CE-CD1 3.82Å; M883-L965 HydrophobicContact CE-CD2 4Å; M883-L965 HydrophobicContact CE-CG 3.96Å; M883-L1011 HydrophobicContact CE-CD1 4.36Å |
| 884 | E | 82.1 | Confident | 76 | Confident | 83 Ų | 83 | 42.5 Ų | 42.5 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.9 | -46.5 | 173.2 | -171.1 | 144.7 | -107.8 | 0 | 0 | 111.3 | Q880 K881 E882 T886 F887 E888 K939 | Q880-E884 WeakPolarHBondContact O-CB 3.28Å; Q880-E884 PolarHBondContact O-N 2.81Å; K881-E884 PolarHBondContact O-N 2.78Å; E882-E884 VanDerWaalsContact C-N 3.31Å; E884-T886 VanDerWaalsContact C-N 3.29Å; E884-T886 PolarHBondContact O-N 3.48Å; E884-F887 PolarHBondContact O-N 3.43Å; E884-E888 WeakPolarHBondContact O-CB 3.35Å; E884-E888 WeakPolarHBondContact O-CG 3.42Å; E884-E888 PolarHBondContact O-N 3.35Å; E884-K939 IonicContact OE1-NZ 2.79Å; E884-K939 PolarHBondContact OE1-NZ 3.35Å |
| 885 | T | 82.9 | Confident | 77.9 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 40% | 0.399 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.4 | -41.8 | 173.4 | -54 | 0 | 0 | 0 | 0 | 111.4 | K881 E882 A889 | K881-T885 WeakPolarHBondContact O-CB 3.48Å; K881-T885 PolarHBondContact O-N 3.47Å; K881-T885 PolarHBondContact O-OG1 2.94Å; E882-T885 PolarHBondContact O-N 3.35Å; T885-A889 VanDerWaalsContact O-CB 3.31Å; T885-A889 WeakPolarHBondContact O-CB 3.39Å; T885-A889 PolarHBondContact O-N 3.33Å |
| 886 | T | 82.3 | Confident | 79.6 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | E882 M883 E884 A889 I890 V935 A969 | E882-T886 WeakPolarHBondContact O-CB 3.48Å; E882-T886 PolarHBondContact O-N 3.4Å; E882-T886 PolarHBondContact O-OG1 3.44Å; M883-T886 PolarHBondContact O-N 2.91Å; E884-T886 VanDerWaalsContact C-N 3.29Å; E884-T886 PolarHBondContact O-N 3.48Å; T886-A889 PolarHBondContact O-N 3Å; T886-I890 HydrophobicContact CG2-CD1 3.94Å; T886-I890 WeakPolarHBondContact O-CD1 3.5Å; T886-I890 VanDerWaalsContact O-CG1 3.27Å; T886-I890 WeakPolarHBondContact O-CG1 3.13Å; T886-I890 PolarHBondContact O-N 3.01Å; T886-V935 HydrophobicContact CG2-CG1 4.33Å; T886-V935 HydrophobicContact CG2-CG2 4.45Å; T886-A969 HydrophobicContact CG2-CB 4.45Å; T886-A969 WeakPolarHBondContact CG2-O 3.19Å; T886-A969 PolarHBondContact OG1-O 2.92Å |
| 887 | F | 84 | Confident | 81 | Confident | 57 Ų | 57 | 49.6 Ų | 49.6 | 25% | 0.25 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 177.9 | -177.9 | -96.1 | 0 | 0 | 0 | 111.9 | M883 E884 I890 T891 S932 V935 K936 | M883-F887 VanDerWaalsContact O-CB 3.26Å; M883-F887 WeakPolarHBondContact O-CB 3.4Å; M883-F887 PolarHBondContact O-N 2.91Å; E884-F887 PolarHBondContact O-N 3.43Å; F887-I890 PolarHBondContact O-N 3.49Å; F887-T891 WeakPolarHBondContact O-CB 3.49Å; F887-T891 PolarHBondContact O-N 2.93Å; F887-T891 PolarHBondContact O-OG1 3.09Å; F887-S932 VanDerWaalsContact CE2-OG 3.29Å; F887-S932 WeakPolarHBondContact CE2-OG 3.25Å; F887-V935 HydrophobicContact CB-CG1 4.11Å; F887-V935 HydrophobicContact CD2-CG1 4.32Å; F887-K936 HydrophobicContact CD2-CB 4.4Å; F887-K936 HydrophobicContact CE2-CB 3.95Å |
| 888 | E | 85.7 | Confident | 81.9 | Confident | 110 Ų | 110 | 50.7 Ų | 50.7 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 172.6 | -75.2 | 177 | -175 | 0 | 0 | 111.1 | E884 I890 T891 V892 | E884-E888 WeakPolarHBondContact O-CB 3.35Å; E884-E888 WeakPolarHBondContact O-CG 3.42Å; E884-E888 PolarHBondContact O-N 3.35Å; E888-I890 VanDerWaalsContact C-N 3.33Å; E888-I890 PolarHBondContact O-N 3.27Å; E888-T891 PolarHBondContact O-N 2.81Å; E888-T891 VanDerWaalsContact O-N 3.16Å; E888-V892 WeakPolarHBondContact O-CB 3.23Å; E888-V892 VanDerWaalsContact O-CG2 3.28Å; E888-V892 WeakPolarHBondContact O-CG2 3.32Å; E888-V892 PolarHBondContact O-N 2.97Å |
| 889 | A | 85.8 | Confident | 82.6 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | T885 T886 A893 | T885-A889 VanDerWaalsContact O-CB 3.31Å; T885-A889 WeakPolarHBondContact O-CB 3.39Å; T885-A889 PolarHBondContact O-N 3.33Å; T886-A889 PolarHBondContact O-N 3Å; A889-A893 VanDerWaalsContact O-CB 3.25Å; A889-A893 WeakPolarHBondContact O-CB 3.36Å; A889-A893 PolarHBondContact O-N 3.48Å |
| 890 | I | 85.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 176.2 | -64.1 | 156.5 | 0 | 0 | 0 | 111 | T886 F887 E888 A893 E894 V931 V935 V972 A976 | T886-I890 HydrophobicContact CG2-CD1 3.94Å; T886-I890 WeakPolarHBondContact O-CD1 3.5Å; T886-I890 VanDerWaalsContact O-CG1 3.27Å; T886-I890 WeakPolarHBondContact O-CG1 3.13Å; T886-I890 PolarHBondContact O-N 3.01Å; F887-I890 PolarHBondContact O-N 3.49Å; E888-I890 VanDerWaalsContact C-N 3.33Å; E888-I890 PolarHBondContact O-N 3.27Å; I890-A893 WeakPolarHBondContact O-CB 3.04Å; I890-A893 PolarHBondContact O-N 3Å; I890-E894 WeakPolarHBondContact O-CB 2.89Å; I890-E894 PolarHBondContact O-N 2.9Å; I890-V931 HydrophobicContact CD1-CG1 3.98Å; I890-V931 HydrophobicContact CG1-CG1 4.44Å; I890-V935 HydrophobicContact CD1-CB 4.09Å; I890-V935 HydrophobicContact CD1-CG1 4.41Å; I890-V935 HydrophobicContact CD1-CG2 3.51Å; I890-V972 HydrophobicContact CD1-CG1 4.01Å; I890-A976 HydrophobicContact CG1-CB 4.11Å |
| 891 | T | 85.1 | Confident | 83.8 | Confident | 41 Ų | 41 | 49 Ų | 49 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 178.5 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | F887 E888 A893 E894 Q895 | F887-T891 WeakPolarHBondContact O-CB 3.49Å; F887-T891 PolarHBondContact O-N 2.93Å; F887-T891 PolarHBondContact O-OG1 3.09Å; E888-T891 PolarHBondContact O-N 2.81Å; E888-T891 VanDerWaalsContact O-N 3.16Å; T891-A893 VanDerWaalsContact C-N 3.35Å; T891-E894 PolarHBondContact O-N 2.99Å; T891-Q895 WeakPolarHBondContact O-CG 3.42Å; T891-Q895 PolarHBondContact O-N 3.02Å |
| 892 | V | 88.4 | Confident | 83.9 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 38% | 0.382 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 173 | 169 | 0 | 0 | 0 | 0 | 110.6 | E888 E894 Q895 K896 | E888-V892 WeakPolarHBondContact O-CB 3.23Å; E888-V892 VanDerWaalsContact O-CG2 3.28Å; E888-V892 WeakPolarHBondContact O-CG2 3.32Å; E888-V892 PolarHBondContact O-N 2.97Å; V892-E894 VanDerWaalsContact C-N 3.34Å; V892-Q895 PolarHBondContact O-N 3.48Å; V892-K896 HydrophobicContact CG1-CD 4.34Å; V892-K896 VanDerWaalsContact O-CG 3.3Å; V892-K896 WeakPolarHBondContact O-CG 3.39Å; V892-K896 PolarHBondContact O-N 3.36Å |
| 893 | A | 87.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A889 I890 T891 K896 F897 L928 A976 V980 | A889-A893 VanDerWaalsContact O-CB 3.25Å; A889-A893 WeakPolarHBondContact O-CB 3.36Å; A889-A893 PolarHBondContact O-N 3.48Å; I890-A893 WeakPolarHBondContact O-CB 3.04Å; I890-A893 PolarHBondContact O-N 3Å; T891-A893 VanDerWaalsContact C-N 3.35Å; A893-K896 WeakPolarHBondContact O-CB 3.44Å; A893-K896 PolarHBondContact O-N 3.5Å; A893-F897 WeakPolarHBondContact O-CD2 3.43Å; A893-F897 PolarHBondContact O-N 2.9Å; A893-L928 HydrophobicContact CB-CD1 3.95Å; A893-A976 HydrophobicContact CB-CB 4.22Å; A893-V980 HydrophobicContact CB-CG2 3.49Å; A893-V980 VanDerWaalsContact CB-CG2 3.49Å; A893-V980 WeakPolarHBondContact O-CG2 3.11Å |
| 894 | E | 85.6 | Confident | 83.5 | Confident | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.7 | -165 | -77.7 | 152.8 | 0 | 0 | 111.8 | I890 T891 V892 K896 F897 Q898 L928 L929 | I890-E894 WeakPolarHBondContact O-CB 2.89Å; I890-E894 PolarHBondContact O-N 2.9Å; T891-E894 PolarHBondContact O-N 2.99Å; V892-E894 VanDerWaalsContact C-N 3.34Å; E894-K896 VanDerWaalsContact C-N 3.33Å; E894-K896 PolarHBondContact O-N 2.88Å; E894-F897 WeakPolarHBondContact O-CA 3.26Å; E894-F897 WeakPolarHBondContact O-CB 3.22Å; E894-F897 PolarHBondContact O-N 3.42Å; E894-F897 VanDerWaalsContact O-N 3.08Å; E894-Q898 VanDerWaalsContact CD-NE2 3.3Å; E894-Q898 PolarHBondContact O-N 2.65Å; E894-Q898 WeakPolarHBondContact OE1-CG 3.33Å; E894-Q898 PolarHBondContact OE1-NE2 3.37Å; E894-Q898 PolarHBondContact OE2-NE2 3.08Å; E894-Q898 VanDerWaalsContact OE2-NE2 3.17Å; E894-L928 HydrophobicContact CB-CB 4.48Å; E894-L929 HydrophobicContact CG-CD2 3.81Å; E894-L929 HydrophobicContact CG-CG 4.07Å |
| 895 | Q | 86.9 | Confident | 83 | Confident | 116 Ų | 116 | 50.8 Ų | 50.8 | 54% | 0.542 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.3 | -73.6 | 175.1 | 5.8 | 0 | 0 | 112.3 | T891 V892 F897 Q898 G899 | T891-Q895 WeakPolarHBondContact O-CG 3.42Å; T891-Q895 PolarHBondContact O-N 3.02Å; V892-Q895 PolarHBondContact O-N 3.48Å; Q895-F897 VanDerWaalsContact C-N 3.31Å; Q895-F897 PolarHBondContact O-N 2.98Å; Q895-Q898 PolarHBondContact O-N 3.02Å; Q895-G899 PolarHBondContact O-N 3.21Å |
| 896 | K | 87.3 | Confident | 82.3 | Confident | 111 Ų | 111 | 55.9 Ų | 55.9 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 173.6 | -73.5 | 175.4 | -178.4 | 178.5 | 0 | 110.9 | V892 A893 E894 G899 L900 V980 | V892-K896 HydrophobicContact CG1-CD 4.34Å; V892-K896 VanDerWaalsContact O-CG 3.3Å; V892-K896 WeakPolarHBondContact O-CG 3.39Å; V892-K896 PolarHBondContact O-N 3.36Å; A893-K896 WeakPolarHBondContact O-CB 3.44Å; A893-K896 PolarHBondContact O-N 3.5Å; E894-K896 VanDerWaalsContact C-N 3.33Å; E894-K896 PolarHBondContact O-N 2.88Å; K896-G899 PolarHBondContact O-N 3.22Å; K896-L900 WeakPolarHBondContact O-CG 3.46Å; K896-L900 PolarHBondContact O-N 3.44Å; K896-V980 HydrophobicContact CB-CG1 3.67Å; K896-V980 HydrophobicContact CD-CG1 3.85Å; K896-V980 HydrophobicContact CG-CG1 4.41Å |
| 897 | F | 84.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.2 | -92.9 | -72.8 | 0 | 0 | 0 | 113.1 | A893 E894 Q895 G899 L900 I901 L921 C924 L928 M979 V980 A983 | A893-F897 WeakPolarHBondContact O-CD2 3.43Å; A893-F897 PolarHBondContact O-N 2.9Å; E894-F897 WeakPolarHBondContact O-CA 3.26Å; E894-F897 WeakPolarHBondContact O-CB 3.22Å; E894-F897 PolarHBondContact O-N 3.42Å; E894-F897 VanDerWaalsContact O-N 3.08Å; Q895-F897 VanDerWaalsContact C-N 3.31Å; Q895-F897 PolarHBondContact O-N 2.98Å; F897-G899 PolarHBondContact O-N 2.93Å; F897-L900 HydrophobicContact CD1-CD1 4.47Å; F897-L900 PolarHBondContact O-N 3.43Å; F897-L900 VanDerWaalsContact O-N 3.15Å; F897-I901 VanDerWaalsContact O-CG1 3.28Å; F897-I901 WeakPolarHBondContact O-CG1 3.3Å; F897-I901 PolarHBondContact O-N 3.48Å; F897-L921 HydrophobicContact CD1-CD2 3.97Å; F897-L921 HydrophobicContact CE1-CD2 3.85Å; F897-C924 HydrophobicContact CD1-CB 3.89Å; F897-C924 HydrophobicContact CE1-CB 3.31Å; F897-C924 HydrophobicContact CE2-CB 4.32Å; F897-C924 HydrophobicContact CZ-CB 3.58Å; F897-L928 HydrophobicContact CD2-CD1 3.3Å; F897-L928 HydrophobicContact CD2-CG 4.44Å; F897-L928 HydrophobicContact CE2-CD1 3.51Å; F897-L928 HydrophobicContact CE2-CG 4.43Å; F897-L928 HydrophobicContact CG-CD1 4.42Å; F897-M979 HydrophobicContact CE2-CG 4.29Å; F897-M979 HydrophobicContact CZ-CG 4.08Å; F897-V980 HydrophobicContact CD2-CB 4.47Å; F897-V980 HydrophobicContact CD2-CG2 3.57Å; F897-V980 HydrophobicContact CE2-CB 4.06Å; F897-V980 HydrophobicContact CE2-CG2 3.38Å; F897-V980 HydrophobicContact CZ-CG2 4.38Å; F897-A983 HydrophobicContact CD1-CB 4.35Å; F897-A983 HydrophobicContact CE1-CB 3.23Å; F897-A983 HydrophobicContact CZ-CB 3.42Å; F897-A983 VanDerWaalsContact CZ-CB 3.42Å |
| 898 | Q | 84 | Confident | 80 | Confident | 106 Ų | 106 | 59.7 Ų | 59.7 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 174.4 | -67.8 | -174.2 | 2.7 | 0 | 0 | 111.6 | E894 Q895 I901 A902 | E894-Q898 VanDerWaalsContact CD-NE2 3.3Å; E894-Q898 PolarHBondContact O-N 2.65Å; E894-Q898 WeakPolarHBondContact OE1-CG 3.33Å; E894-Q898 PolarHBondContact OE1-NE2 3.37Å; E894-Q898 PolarHBondContact OE2-NE2 3.08Å; E894-Q898 VanDerWaalsContact OE2-NE2 3.17Å; Q895-Q898 PolarHBondContact O-N 3.02Å; Q898-I901 PolarHBondContact O-N 3.43Å; Q898-A902 WeakPolarHBondContact O-CB 3.32Å; Q898-A902 PolarHBondContact O-N 3.32Å |
| 899 | G | 84.5 | Confident | 78.1 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q895 K896 F897 I901 A902 E903 | Q895-G899 PolarHBondContact O-N 3.21Å; K896-G899 PolarHBondContact O-N 3.22Å; F897-G899 PolarHBondContact O-N 2.93Å; G899-I901 VanDerWaalsContact C-N 3.33Å; G899-I901 PolarHBondContact O-N 3.23Å; G899-A902 PolarHBondContact O-N 3.1Å; G899-E903 WeakPolarHBondContact O-CB 3.44Å; G899-E903 PolarHBondContact O-N 3.48Å |
| 900 | L | 82.3 | Confident | 76.4 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 176.7 | -68.1 | 172.5 | 0 | 0 | 0 | 112.7 | K896 F897 S904 L921 D984 | K896-L900 WeakPolarHBondContact O-CG 3.46Å; K896-L900 PolarHBondContact O-N 3.44Å; F897-L900 HydrophobicContact CD1-CD1 4.47Å; F897-L900 PolarHBondContact O-N 3.43Å; F897-L900 VanDerWaalsContact O-N 3.15Å; L900-S904 VanDerWaalsContact O-CB 3.25Å; L900-S904 WeakPolarHBondContact O-CB 3.49Å; L900-S904 PolarHBondContact O-N 3.42Å; L900-S904 PolarHBondContact O-OG 3.25Å; L900-L921 HydrophobicContact CB-CD1 4.3Å; L900-L921 HydrophobicContact CB-CD2 4.47Å; L900-D984 HydrophobicContact CD1-CB 4.01Å; L900-D984 HydrophobicContact CD2-CB 4.2Å; L900-D984 WeakPolarHBondContact CD2-OD1 3.47Å |
| 901 | I | 80.6 | Confident | 74.8 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 174.8 | -68 | 163.8 | 0 | 0 | 0 | 110.3 | F897 Q898 G899 S904 K905 L921 | F897-I901 VanDerWaalsContact O-CG1 3.28Å; F897-I901 WeakPolarHBondContact O-CG1 3.3Å; F897-I901 PolarHBondContact O-N 3.48Å; Q898-I901 PolarHBondContact O-N 3.43Å; G899-I901 VanDerWaalsContact C-N 3.33Å; G899-I901 PolarHBondContact O-N 3.23Å; I901-S904 WeakPolarHBondContact CA-OG 3.35Å; I901-S904 PolarHBondContact O-OG 2.8Å; I901-K905 HydrophobicContact CG2-CD 3.98Å; I901-K905 WeakPolarHBondContact O-CB 3.39Å; I901-K905 VanDerWaalsContact O-CG 3.26Å; I901-K905 WeakPolarHBondContact O-CG 3.41Å; I901-K905 PolarHBondContact O-N 3.04Å; I901-L921 HydrophobicContact CD1-CB 4.31Å; I901-L921 HydrophobicContact CG1-CB 3.62Å; I901-L921 HydrophobicContact CG1-CD1 4.24Å |
| 902 | A | 80 | Confident | 73.4 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q898 G899 K906 | Q898-A902 WeakPolarHBondContact O-CB 3.32Å; Q898-A902 PolarHBondContact O-N 3.32Å; G899-A902 PolarHBondContact O-N 3.1Å; A902-K906 PolarHBondContact O-N 2.94Å |
| 903 | E | 76.9 | Confident | 71.9 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 50% | 0.495 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 177.9 | -175 | 166.1 | -165 | 0 | 0 | 112.3 | G899 K905 K906 N907 | G899-E903 WeakPolarHBondContact O-CB 3.44Å; G899-E903 PolarHBondContact O-N 3.48Å; E903-K905 PolarHBondContact O-N 3.04Å; E903-K906 WeakPolarHBondContact O-CB 3.32Å; E903-K906 PolarHBondContact O-N 3.16Å; E903-N907 PolarHBondContact O-N 3.26Å; E903-N907 VanDerWaalsContact O-N 3.07Å |
| 904 | S | 72 | Confident | 70.6 | Confident | 3 Ų | 3 | 82.4 Ų | 82.4 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | L900 I901 K906 N907 S908 | L900-S904 VanDerWaalsContact O-CB 3.25Å; L900-S904 WeakPolarHBondContact O-CB 3.49Å; L900-S904 PolarHBondContact O-N 3.42Å; L900-S904 PolarHBondContact O-OG 3.25Å; I901-S904 WeakPolarHBondContact CA-OG 3.35Å; I901-S904 PolarHBondContact O-OG 2.8Å; S904-K906 VanDerWaalsContact C-N 3.33Å; S904-K906 PolarHBondContact O-N 3.38Å; S904-N907 PolarHBondContact O-N 3.33Å; S904-S908 WeakPolarHBondContact O-CB 3.49Å; S904-S908 PolarHBondContact O-N 3.16Å; S904-S908 VanDerWaalsContact O-N 3.1Å |
| 905 | K | 71.3 | Confident | 69.4 | Low | 120 Ų | 120 | 88.1 Ų | 88.1 | 52% | 0.522 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 174.1 | -76.6 | 173.3 | -178.7 | 166.7 | 0 | 112.5 | I901 E903 S908 | I901-K905 HydrophobicContact CG2-CD 3.98Å; I901-K905 WeakPolarHBondContact O-CB 3.39Å; I901-K905 VanDerWaalsContact O-CG 3.26Å; I901-K905 WeakPolarHBondContact O-CG 3.41Å; I901-K905 PolarHBondContact O-N 3.04Å; E903-K905 PolarHBondContact O-N 3.04Å; K905-S908 PolarHBondContact O-N 3.32Å |
| 906 | K | 68.2 | Low | 68.3 | Low | 172 Ų | 172 | 85.2 Ų | 85.2 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.3 | -36.7 | 175.9 | -170.8 | -178.6 | 177.7 | -174.8 | 0 | 112.4 | A902 E903 S904 | A902-K906 PolarHBondContact O-N 2.94Å; E903-K906 WeakPolarHBondContact O-CB 3.32Å; E903-K906 PolarHBondContact O-N 3.16Å; S904-K906 VanDerWaalsContact C-N 3.33Å; S904-K906 PolarHBondContact O-N 3.38Å |
| 907 | N | 65.4 | Low | 67.7 | Low | 96 Ų | 96 | 80.9 Ų | 80.9 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -84.3 | -9.6 | -179.3 | -66.5 | -18.7 | 0 | 0 | 0 | 113.7 | E903 S904 M909 L914 | E903-N907 PolarHBondContact O-N 3.26Å; E903-N907 VanDerWaalsContact O-N 3.07Å; S904-N907 PolarHBondContact O-N 3.33Å; N907-M909 VanDerWaalsContact C-N 3.26Å; N907-M909 PolarHBondContact O-N 3.26Å; N907-M909 VanDerWaalsContact O-N 3.08Å; N907-L914 WeakPolarHBondContact O-CD1 3.46Å |
| 908 | S | 53.7 | Low | 67.5 | Low | 44 Ų | 44 | 82 Ų | 82 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | trans | -72.3 | 4.9 | -168.4 | -157.2 | 0 | 0 | 0 | 0 | 116.8 | S904 K905 N910 | S904-S908 WeakPolarHBondContact O-CB 3.49Å; S904-S908 PolarHBondContact O-N 3.16Å; S904-S908 VanDerWaalsContact O-N 3.1Å; K905-S908 PolarHBondContact O-N 3.32Å; S908-N910 PolarHBondContact O-N 2.86Å | ||
| 909 | M | 45.8 | Very low | 67.5 | Low | 165 Ų | 165 | 81.5 Ų | 81.5 | 81% | 0.813 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -5.3 | -168.9 | -79.2 | -68.1 | 170.2 | 0 | 0 | 116.2 | N907 | N907-M909 VanDerWaalsContact C-N 3.26Å; N907-M909 PolarHBondContact O-N 3.26Å; N907-M909 VanDerWaalsContact O-N 3.08Å |
| 910 | N | 49.4 | Very low | 67.7 | Low | 166 Ų | 166 | 80 Ų | 80 | 89% | 0.888 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.1 | 20.9 | -179.2 | -88.5 | -30.7 | 0 | 0 | 0 | 117.6 | S908 | S908-N910 PolarHBondContact O-N 2.86Š|
| 911 | N | 52.7 | Low | 67.9 | Low | 89 Ų | 89 | 79.6 Ų | 79.6 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | trans | -141.1 | 116.9 | -174.3 | -148.2 | -23.5 | 0 | 0 | 0 | 114.1 | N913 L914 | N911-N913 PolarHBondContact O-N 2.89Å; N911-L914 HydrophobicContact CB-CD1 3.82Å; N911-L914 HydrophobicContact CB-CG 4.06Å; N911-L914 WeakPolarHBondContact O-CB 3.46Å; N911-L914 PolarHBondContact O-N 2.91Å | ||
| 912 | E | 54.8 | Low | 68.3 | Low | 169 Ų | 169 | 82 Ų | 82 | 79% | 0.79 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58 | -32.3 | 178.8 | -66.6 | -177.4 | 165.3 | 0 | 0 | 112.7 | L914 Q915 V916 | E912-L914 PolarHBondContact O-N 3.33Å; E912-Q915 PolarHBondContact O-N 3.06Å; E912-V916 PolarHBondContact O-N 2.75Å |
| 913 | N | 57.2 | Low | 68.8 | Low | 89 Ų | 89 | 80 Ų | 80 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.1 | -30.3 | 174.4 | -76.9 | -43.8 | 0 | 0 | 0 | 112.9 | N911 N917 | N911-N913 PolarHBondContact O-N 2.89Å; N913-N917 VanDerWaalsContact O-CG 3.23Å; N913-N917 PolarHBondContact O-N 3.35Å; N913-N917 PolarHBondContact O-ND2 3.5Å |
| 914 | L | 60 | Low | 69.4 | Low | 35 Ų | 35 | 74.9 Ų | 74.9 | 18% | 0.183 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.7 | -31.2 | 178.2 | -70.2 | 169.3 | 0 | 0 | 0 | 112 | N907 N911 E912 N917 S918 | N907-L914 WeakPolarHBondContact O-CD1 3.46Å; N911-L914 HydrophobicContact CB-CD1 3.82Å; N911-L914 HydrophobicContact CB-CG 4.06Å; N911-L914 WeakPolarHBondContact O-CB 3.46Å; N911-L914 PolarHBondContact O-N 2.91Å; E912-L914 PolarHBondContact O-N 3.33Å; L914-N917 PolarHBondContact O-N 3.36Å; L914-S918 PolarHBondContact O-N 2.93Å |
| 915 | Q | 59.4 | Low | 70.3 | Confident | 137 Ų | 137 | 75.4 Ų | 75.4 | 64% | 0.64 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.9 | -44.4 | 176.6 | -169.9 | 176.7 | 9.1 | 0 | 0 | 111.3 | E912 N917 S918 L919 | E912-Q915 PolarHBondContact O-N 3.06Å; Q915-N917 VanDerWaalsContact C-N 3.29Å; Q915-N917 PolarHBondContact O-N 2.9Å; Q915-S918 PolarHBondContact O-N 3.24Å; Q915-S918 PolarHBondContact O-OG 3.11Å; Q915-L919 PolarHBondContact O-N 3.46Å |
| 916 | V | 65.2 | Low | 71.2 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 33% | 0.333 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 173.7 | 175.9 | 0 | 0 | 0 | 0 | 111 | E912 S918 L919 I920 A1050 | E912-V916 PolarHBondContact O-N 2.75Å; V916-S918 PolarHBondContact O-N 2.97Å; V916-L919 PolarHBondContact O-N 3.23Å; V916-I920 HydrophobicContact CG1-CD1 4.25Å; V916-I920 WeakPolarHBondContact O-CG1 3.26Å; V916-I920 PolarHBondContact O-N 3.18Å; V916-A1050 HydrophobicContact CG1-CB 3.33Å |
| 917 | N | 74.3 | Confident | 72.4 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 176.4 | -71.6 | -9.8 | 0 | 0 | 0 | 112.2 | N913 L914 Q915 L919 I920 L921 | N913-N917 VanDerWaalsContact O-CG 3.23Å; N913-N917 PolarHBondContact O-N 3.35Å; N913-N917 PolarHBondContact O-ND2 3.5Å; L914-N917 PolarHBondContact O-N 3.36Å; Q915-N917 VanDerWaalsContact C-N 3.29Å; Q915-N917 PolarHBondContact O-N 2.9Å; N917-L919 VanDerWaalsContact C-N 3.35Å; N917-L919 PolarHBondContact O-N 3.38Å; N917-I920 PolarHBondContact O-N 2.89Å; N917-L921 WeakPolarHBondContact O-CG 3.4Å; N917-L921 PolarHBondContact O-N 3.48Å |
| 918 | S | 79.5 | Confident | 73.7 | Confident | 22 Ų | 22 | 61 Ų | 61 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 177.3 | 68.5 | 0 | 0 | 0 | 0 | 113 | L914 Q915 V916 I920 L921 D922 | L914-S918 PolarHBondContact O-N 2.93Å; Q915-S918 PolarHBondContact O-N 3.24Å; Q915-S918 PolarHBondContact O-OG 3.11Å; V916-S918 PolarHBondContact O-N 2.97Å; S918-I920 PolarHBondContact O-N 3.47Å; S918-L921 PolarHBondContact O-N 3.44Å; S918-D922 VanDerWaalsContact O-CG 3.31Å; S918-D922 PolarHBondContact O-N 3.42Å |
| 919 | L | 84.3 | Confident | 75.5 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 51% | 0.508 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 176.7 | -174.8 | 68.8 | 0 | 0 | 0 | 111.8 | Q915 V916 N917 D922 C923 C1046 | Q915-L919 PolarHBondContact O-N 3.46Å; V916-L919 PolarHBondContact O-N 3.23Å; N917-L919 VanDerWaalsContact C-N 3.35Å; N917-L919 PolarHBondContact O-N 3.38Å; L919-D922 PolarHBondContact O-N 2.9Å; L919-C923 PolarHBondContact O-N 3.45Å; L919-C923 PolarHBondContact O-SG 2.9Å; L919-C1046 VanDerWaalsContact CD2-SG 3.58Å |
| 920 | I | 87.9 | Confident | 77.7 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.7 | -67.3 | 169.7 | 0 | 0 | 0 | 110.2 | V916 N917 S918 D922 C923 C924 L994 L997 L1043 V1047 A1050 | V916-I920 HydrophobicContact CG1-CD1 4.25Å; V916-I920 WeakPolarHBondContact O-CG1 3.26Å; V916-I920 PolarHBondContact O-N 3.18Å; N917-I920 PolarHBondContact O-N 2.89Å; S918-I920 PolarHBondContact O-N 3.47Å; I920-D922 VanDerWaalsContact C-N 3.33Å; I920-D922 PolarHBondContact O-N 3.17Å; I920-C923 PolarHBondContact O-N 3.23Å; I920-C924 PolarHBondContact O-N 2.97Å; I920-C924 PolarHBondContact O-SG 3.02Å; I920-L994 HydrophobicContact CD1-CD2 4.17Å; I920-L997 HydrophobicContact CG2-CD2 3.23Å; I920-L1043 HydrophobicContact CG2-CD1 4.24Å; I920-V1047 HydrophobicContact CD1-CG2 4.5Å; I920-V1047 HydrophobicContact CG1-CG2 4.38Å; I920-V1047 HydrophobicContact CG2-CG2 4.17Å; I920-A1050 HydrophobicContact CD1-CB 3.8Å |
| 921 | L | 87.6 | Confident | 79.7 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 177.8 | -66.4 | 175.4 | 0 | 0 | 0 | 112.1 | F897 L900 I901 N917 S918 C924 S925 A983 V987 | F897-L921 HydrophobicContact CD1-CD2 3.97Å; F897-L921 HydrophobicContact CE1-CD2 3.85Å; L900-L921 HydrophobicContact CB-CD1 4.3Å; L900-L921 HydrophobicContact CB-CD2 4.47Å; I901-L921 HydrophobicContact CD1-CB 4.31Å; I901-L921 HydrophobicContact CG1-CB 3.62Å; I901-L921 HydrophobicContact CG1-CD1 4.24Å; N917-L921 WeakPolarHBondContact O-CG 3.4Å; N917-L921 PolarHBondContact O-N 3.48Å; S918-L921 PolarHBondContact O-N 3.44Å; L921-C924 WeakPolarHBondContact O-CB 3.26Å; L921-C924 PolarHBondContact O-N 3.3Å; L921-S925 PolarHBondContact O-N 3Å; L921-A983 HydrophobicContact CD2-CB 3.96Å; L921-V987 HydrophobicContact CD1-CG2 3.73Å; L921-V987 HydrophobicContact CD2-CG2 3.9Å; L921-V987 HydrophobicContact CG-CG2 4.17Å |
| 922 | D | 88 | Confident | 81.5 | Confident | 66 Ų | 66 | 44.6 Ų | 44.6 | 35% | 0.353 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -44.5 | 175.1 | -70.9 | -22.9 | 0 | 0 | 0 | 110.7 | S918 L919 I920 C924 S925 E926 | S918-D922 VanDerWaalsContact O-CG 3.31Å; S918-D922 PolarHBondContact O-N 3.42Å; L919-D922 PolarHBondContact O-N 2.9Å; I920-D922 VanDerWaalsContact C-N 3.33Å; I920-D922 PolarHBondContact O-N 3.17Å; D922-C924 VanDerWaalsContact C-N 3.34Å; D922-C924 PolarHBondContact O-N 2.93Å; D922-S925 PolarHBondContact O-N 3.41Å; D922-E926 PolarHBondContact O-N 3.46Å |
| 923 | C | 90.5 | Very high | 83.2 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 12% | 0.122 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -34.9 | 174.1 | -71.2 | 0 | 0 | 0 | 0 | 113.3 | L919 I920 L927 L1043 | L919-C923 PolarHBondContact O-N 3.45Å; L919-C923 PolarHBondContact O-SG 2.9Å; I920-C923 PolarHBondContact O-N 3.23Å; C923-L927 PolarHBondContact O-N 2.86Å; C923-L1043 HydrophobicContact CB-CB 4.13Å; C923-L1043 HydrophobicContact CB-CD1 3.64Å; C923-L1043 HydrophobicContact CB-CG 4.47Å |
| 924 | C | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -43.8 | 175.1 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | F897 I920 L921 D922 L927 L928 M979 | F897-C924 HydrophobicContact CD1-CB 3.89Å; F897-C924 HydrophobicContact CE1-CB 3.31Å; F897-C924 HydrophobicContact CE2-CB 4.32Å; F897-C924 HydrophobicContact CZ-CB 3.58Å; I920-C924 PolarHBondContact O-N 2.97Å; I920-C924 PolarHBondContact O-SG 3.02Å; L921-C924 WeakPolarHBondContact O-CB 3.26Å; L921-C924 PolarHBondContact O-N 3.3Å; D922-C924 VanDerWaalsContact C-N 3.34Å; D922-C924 PolarHBondContact O-N 2.93Å; C924-L927 PolarHBondContact O-N 3.41Å; C924-L928 PolarHBondContact O-N 2.81Å; C924-M979 HydrophobicContact CB-CE 3.54Å; C924-M979 WeakPolarHBondContact SG-CE 3.31Å |
| 925 | S | 90 | Very high | 86.2 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L921 D922 L927 L928 L929 | L921-S925 PolarHBondContact O-N 3Å; D922-S925 PolarHBondContact O-N 3.41Å; S925-L927 VanDerWaalsContact C-N 3.33Å; S925-L927 PolarHBondContact O-N 3.44Å; S925-L928 PolarHBondContact O-N 2.86Å; S925-L929 WeakPolarHBondContact O-CG 3.49Å; S925-L929 PolarHBondContact O-N 2.86Å |
| 926 | E | 91.4 | Very high | 87.6 | Confident | 85 Ų | 85 | 33.1 Ų | 33.1 | 40% | 0.397 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 175.4 | -171.4 | -178.8 | -162.4 | 0 | 0 | 112.1 | D922 L929 C930 | D922-E926 PolarHBondContact O-N 3.46Å; E926-L929 PolarHBondContact O-N 3.39Å; E926-C930 PolarHBondContact O-N 3.36Å; E926-C930 VanDerWaalsContact O-N 3.11Å; E926-C930 PolarHBondContact O-SG 3.02Å |
| 927 | L | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 175.2 | 178.1 | 60 | 0 | 0 | 0 | 111.6 | C923 C924 S925 L929 C930 V931 M979 I1004 V1036 C1039 T1040 L1043 | C923-L927 PolarHBondContact O-N 2.86Å; C924-L927 PolarHBondContact O-N 3.41Å; S925-L927 VanDerWaalsContact C-N 3.33Å; S925-L927 PolarHBondContact O-N 3.44Å; L927-L929 VanDerWaalsContact C-N 3.35Å; L927-L929 PolarHBondContact O-N 3.04Å; L927-C930 PolarHBondContact O-N 3.32Å; L927-V931 HydrophobicContact CD1-CG2 4.23Å; L927-V931 HydrophobicContact CG-CG2 4.42Å; L927-V931 VanDerWaalsContact O-CG2 3.25Å; L927-V931 WeakPolarHBondContact O-CG2 3.49Å; L927-V931 PolarHBondContact O-N 3.11Å; L927-M979 HydrophobicContact CD2-CE 3.92Å; L927-M979 HydrophobicContact CD2-SD 4.24Å; L927-I1004 HydrophobicContact CD2-CD1 4.46Å; L927-I1004 HydrophobicContact CD2-CG2 4.38Å; L927-V1036 HydrophobicContact CD1-CG1 4.03Å; L927-C1039 HydrophobicContact CB-CB 4.28Å; L927-C1039 HydrophobicContact CD1-CB 3.9Å; L927-T1040 WeakPolarHBondContact CD1-OG1 3.39Å; L927-L1043 HydrophobicContact CD2-CD2 3.97Å |
| 928 | L | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.6 | -34.4 | -179.9 | -72.7 | -172.9 | 0 | 0 | 0 | 113.1 | A893 E894 F897 C924 S925 V931 S932 A976 M979 | A893-L928 HydrophobicContact CB-CD1 3.95Å; E894-L928 HydrophobicContact CB-CB 4.48Å; F897-L928 HydrophobicContact CD2-CD1 3.3Å; F897-L928 HydrophobicContact CD2-CG 4.44Å; F897-L928 HydrophobicContact CE2-CD1 3.51Å; F897-L928 HydrophobicContact CE2-CG 4.43Å; F897-L928 HydrophobicContact CG-CD1 4.42Å; C924-L928 PolarHBondContact O-N 2.81Å; S925-L928 PolarHBondContact O-N 2.86Å; L928-V931 PolarHBondContact O-N 3.24Å; L928-S932 WeakPolarHBondContact O-CB 3.42Å; L928-S932 PolarHBondContact O-N 3Å; L928-A976 HydrophobicContact CD2-CB 3.79Å; L928-M979 HydrophobicContact CD2-SD 4.18Å; L928-M979 HydrophobicContact CG-SD 4.39Å |
| 929 | L | 91.7 | Very high | 89.3 | Confident | 84 Ų | 84 | 30.5 Ų | 30.5 | 44% | 0.44 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 172.3 | -72.8 | 170.3 | 0 | 0 | 0 | 110.9 | E894 S925 E926 L927 V931 S932 D933 | E894-L929 HydrophobicContact CG-CD2 3.81Å; E894-L929 HydrophobicContact CG-CG 4.07Å; S925-L929 WeakPolarHBondContact O-CG 3.49Å; S925-L929 PolarHBondContact O-N 2.86Å; E926-L929 PolarHBondContact O-N 3.39Å; L927-L929 VanDerWaalsContact C-N 3.35Å; L927-L929 PolarHBondContact O-N 3.04Å; L929-V931 VanDerWaalsContact C-N 3.34Å; L929-V931 PolarHBondContact O-N 2.98Å; L929-S932 WeakPolarHBondContact O-CB 3.05Å; L929-S932 PolarHBondContact O-N 3.28Å; L929-D933 PolarHBondContact O-N 3.31Å |
| 930 | C | 92 | Very high | 89.2 | Confident | 17 Ų | 17 | 29.3 Ų | 29.3 | 12% | 0.115 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | E926 L927 D933 L934 V1036 C1039 | E926-C930 PolarHBondContact O-N 3.36Å; E926-C930 VanDerWaalsContact O-N 3.11Å; E926-C930 PolarHBondContact O-SG 3.02Å; L927-C930 PolarHBondContact O-N 3.32Å; C930-D933 PolarHBondContact O-N 2.93Å; C930-L934 WeakPolarHBondContact O-CB 3.34Å; C930-L934 PolarHBondContact O-N 2.98Å; C930-V1036 HydrophobicContact CB-CG2 3.82Å; C930-C1039 PolarHBondContact SG-SG 3.32Å |
| 931 | V | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | I890 L927 L928 L929 L934 V935 V972 I1004 T1008 V1036 | I890-V931 HydrophobicContact CD1-CG1 3.98Å; I890-V931 HydrophobicContact CG1-CG1 4.44Å; L927-V931 HydrophobicContact CD1-CG2 4.23Å; L927-V931 HydrophobicContact CG-CG2 4.42Å; L927-V931 VanDerWaalsContact O-CG2 3.25Å; L927-V931 WeakPolarHBondContact O-CG2 3.49Å; L927-V931 PolarHBondContact O-N 3.11Å; L928-V931 PolarHBondContact O-N 3.24Å; L929-V931 VanDerWaalsContact C-N 3.34Å; L929-V931 PolarHBondContact O-N 2.98Å; V931-L934 WeakPolarHBondContact O-CB 3.35Å; V931-L934 PolarHBondContact O-N 3.47Å; V931-V935 WeakPolarHBondContact O-CG2 3.32Å; V931-V935 PolarHBondContact O-N 3.14Å; V931-V972 HydrophobicContact CG1-CG1 3.6Å; V931-I1004 HydrophobicContact CG2-CG2 3.62Å; V931-T1008 HydrophobicContact CG1-CG2 4.07Å; V931-T1008 HydrophobicContact CG2-CG2 4.1Å; V931-V1036 HydrophobicContact CG2-CG1 4.18Å; V931-V1036 HydrophobicContact CG2-CG2 4.24Å |
| 932 | S | 90.5 | Very high | 88.2 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 174.4 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | F887 L928 L929 L934 V935 K936 | F887-S932 VanDerWaalsContact CE2-OG 3.29Å; F887-S932 WeakPolarHBondContact CE2-OG 3.25Å; L928-S932 WeakPolarHBondContact O-CB 3.42Å; L928-S932 PolarHBondContact O-N 3Å; L929-S932 WeakPolarHBondContact O-CB 3.05Å; L929-S932 PolarHBondContact O-N 3.28Å; S932-L934 VanDerWaalsContact C-N 3.3Å; S932-L934 PolarHBondContact O-N 3.39Å; S932-V935 PolarHBondContact O-N 3.33Å; S932-K936 WeakPolarHBondContact O-CB 3.48Å; S932-K936 PolarHBondContact O-N 3Å |
| 933 | D | 90.4 | Very high | 87.4 | Confident | 84 Ų | 84 | 29.8 Ų | 29.8 | 45% | 0.449 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.8 | -39 | 174.9 | -84.4 | -21.1 | 0 | 0 | 0 | 112.1 | L929 C930 K936 Q937 T1032 | L929-D933 PolarHBondContact O-N 3.31Å; C930-D933 PolarHBondContact O-N 2.93Å; D933-K936 PolarHBondContact O-N 2.97Å; D933-Q937 WeakPolarHBondContact O-CG 3.43Å; D933-Q937 PolarHBondContact O-N 3.39Å; D933-T1032 HydrophobicContact CB-CG2 3.92Å |
| 934 | L | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 177.1 | -173.6 | 151.3 | 0 | 0 | 0 | 111.9 | C930 V931 S932 K936 Q937 S938 T1008 L1011 V1012 L1029 T1032 V1036 | C930-L934 WeakPolarHBondContact O-CB 3.34Å; C930-L934 PolarHBondContact O-N 2.98Å; V931-L934 WeakPolarHBondContact O-CB 3.35Å; V931-L934 PolarHBondContact O-N 3.47Å; S932-L934 VanDerWaalsContact C-N 3.3Å; S932-L934 PolarHBondContact O-N 3.39Å; L934-K936 VanDerWaalsContact C-N 3.31Å; L934-K936 PolarHBondContact O-N 3.43Å; L934-Q937 PolarHBondContact O-N 2.87Å; L934-S938 PolarHBondContact O-N 2.92Å; L934-T1008 HydrophobicContact CD1-CG2 4.37Å; L934-T1008 HydrophobicContact CD2-CG2 4.35Å; L934-L1011 HydrophobicContact CD2-CD2 3.82Å; L934-L1011 HydrophobicContact CD2-CG 4.42Å; L934-V1012 HydrophobicContact CD1-CG2 3.97Å; L934-V1012 HydrophobicContact CD2-CG2 4.21Å; L934-V1012 HydrophobicContact CG-CG2 4.34Å; L934-L1029 HydrophobicContact CD2-CD1 4.34Å; L934-L1029 HydrophobicContact CG-CD1 3.99Å; L934-T1032 HydrophobicContact CB-CG2 3.88Å; L934-V1036 HydrophobicContact CB-CG2 4.4Å; L934-V1036 HydrophobicContact CD1-CG2 3.92Å |
| 935 | V | 89.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -39.1 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | T886 F887 I890 V931 S932 S938 K939 V972 L1011 | T886-V935 HydrophobicContact CG2-CG1 4.33Å; T886-V935 HydrophobicContact CG2-CG2 4.45Å; F887-V935 HydrophobicContact CB-CG1 4.11Å; F887-V935 HydrophobicContact CD2-CG1 4.32Å; I890-V935 HydrophobicContact CD1-CB 4.09Å; I890-V935 HydrophobicContact CD1-CG1 4.41Å; I890-V935 HydrophobicContact CD1-CG2 3.51Å; V931-V935 WeakPolarHBondContact O-CG2 3.32Å; V931-V935 PolarHBondContact O-N 3.14Å; S932-V935 PolarHBondContact O-N 3.33Å; V935-S938 WeakPolarHBondContact O-CB 3.38Å; V935-S938 PolarHBondContact O-N 3.06Å; V935-K939 PolarHBondContact O-N 2.85Å; V935-V972 HydrophobicContact CG2-CG1 4.13Å; V935-L1011 HydrophobicContact CG2-CD2 3.92Å |
| 936 | K | 88 | Confident | 83.1 | Confident | 103 Ų | 103 | 39.3 Ų | 39.3 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 172.9 | -174.1 | 177.4 | 180 | 178.2 | 0 | 112.3 | F887 S932 D933 L934 S938 K939 L940 | F887-K936 HydrophobicContact CD2-CB 4.4Å; F887-K936 HydrophobicContact CE2-CB 3.95Å; S932-K936 WeakPolarHBondContact O-CB 3.48Å; S932-K936 PolarHBondContact O-N 3Å; D933-K936 PolarHBondContact O-N 2.97Å; L934-K936 VanDerWaalsContact C-N 3.31Å; L934-K936 PolarHBondContact O-N 3.43Å; K936-S938 VanDerWaalsContact C-N 3.32Å; K936-S938 PolarHBondContact O-N 3.37Å; K936-K939 PolarHBondContact O-N 3.41Å; K936-L940 WeakPolarHBondContact O-CG 3.44Å; K936-L940 PolarHBondContact O-N 3.18Å |
| 937 | Q | 86.6 | Confident | 81.1 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 174.6 | -66.4 | -40.5 | -65.4 | 0 | 0 | 111.7 | D933 L934 L940 I941 K1028 L1029 | D933-Q937 WeakPolarHBondContact O-CG 3.43Å; D933-Q937 PolarHBondContact O-N 3.39Å; L934-Q937 PolarHBondContact O-N 2.87Å; Q937-L940 PolarHBondContact O-N 3.16Å; Q937-I941 WeakPolarHBondContact O-CG1 3.38Å; Q937-I941 PolarHBondContact O-N 2.96Å; Q937-I941 VanDerWaalsContact O-N 3.1Å; Q937-K1028 HydrophobicContact CG-CG 4.42Å; Q937-K1028 VanDerWaalsContact OE1-CD 3.3Å; Q937-L1029 HydrophobicContact CB-CB 4.29Å; Q937-L1029 HydrophobicContact CB-CD1 3.76Å |
| 938 | S | 87.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | M883 L934 V935 K936 I941 Q942 T1015 | M883-S938 VanDerWaalsContact CE-OG 3.3Å; M883-S938 WeakPolarHBondContact CE-OG 3.36Å; L934-S938 PolarHBondContact O-N 2.92Å; V935-S938 WeakPolarHBondContact O-CB 3.38Å; V935-S938 PolarHBondContact O-N 3.06Å; K936-S938 VanDerWaalsContact C-N 3.32Å; K936-S938 PolarHBondContact O-N 3.37Å; S938-I941 PolarHBondContact O-N 3.2Å; S938-Q942 WeakPolarHBondContact O-CG 3.29Å; S938-Q942 PolarHBondContact O-N 2.91Å; S938-Q942 VanDerWaalsContact O-N 3.12Å; S938-T1015 PolarHBondContact OG-OG1 3.12Å |
| 939 | K | 82.4 | Confident | 77 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -46 | 175.3 | -173.6 | 177.5 | -178.5 | 174.8 | 0 | 112.4 | M883 E884 V935 K936 I941 Q942 Q943 | M883-K939 HydrophobicContact SD-CB 4.06Å; E884-K939 IonicContact OE1-NZ 2.79Å; E884-K939 PolarHBondContact OE1-NZ 3.35Å; V935-K939 PolarHBondContact O-N 2.85Å; K936-K939 PolarHBondContact O-N 3.41Å; K939-I941 VanDerWaalsContact C-N 3.3Å; K939-I941 PolarHBondContact O-N 3.11Å; K939-Q942 PolarHBondContact O-N 3.29Å; K939-Q942 VanDerWaalsContact O-N 3.11Å; K939-Q943 PolarHBondContact O-N 3.47Å |
| 940 | L | 82.2 | Confident | 75 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 177.9 | -72 | 172.9 | 0 | 0 | 0 | 112.3 | K936 Q937 Q942 Q943 E944 | K936-L940 WeakPolarHBondContact O-CG 3.44Å; K936-L940 PolarHBondContact O-N 3.18Å; Q937-L940 PolarHBondContact O-N 3.16Å; L940-Q942 VanDerWaalsContact C-N 3.35Å; L940-Q943 PolarHBondContact O-N 2.99Å; L940-E944 PolarHBondContact O-N 3.11Å |
| 941 | I | 79.4 | Confident | 72.9 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 175.2 | -70.7 | 164.2 | 0 | 0 | 0 | 111 | Q937 S938 K939 E944 F945 T1015 T1019 M1025 L1029 | Q937-I941 WeakPolarHBondContact O-CG1 3.38Å; Q937-I941 PolarHBondContact O-N 2.96Å; Q937-I941 VanDerWaalsContact O-N 3.1Å; S938-I941 PolarHBondContact O-N 3.2Å; K939-I941 VanDerWaalsContact C-N 3.3Å; K939-I941 PolarHBondContact O-N 3.11Å; I941-E944 PolarHBondContact O-N 3.35Å; I941-F945 HydrophobicContact CG2-CE2 4.03Å; I941-F945 WeakPolarHBondContact O-CD2 3.35Å; I941-T1015 HydrophobicContact CB-CG2 4.14Å; I941-T1015 HydrophobicContact CD1-CG2 4.04Å; I941-T1015 HydrophobicContact CG2-CG2 3.75Å; I941-T1019 HydrophobicContact CG2-CG2 3.55Å; I941-M1025 HydrophobicContact CD1-CB 4.41Å; I941-M1025 HydrophobicContact CG1-CB 3.86Å; I941-L1029 HydrophobicContact CD1-CB 3.88Å; I941-L1029 HydrophobicContact CD1-CD2 3.76Å; I941-L1029 HydrophobicContact CD1-CG 4.34Å |
| 942 | Q | 73.5 | Confident | 70.9 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 177.2 | -58.9 | -50.8 | -30.8 | 0 | 0 | 112.3 | M883 S938 K939 L940 E944 F945 Y955 L965 | M883-Q942 HydrophobicContact CE-CG 3.67Å; M883-Q942 HydrophobicContact SD-CG 3.92Å; S938-Q942 WeakPolarHBondContact O-CG 3.29Å; S938-Q942 PolarHBondContact O-N 2.91Å; S938-Q942 VanDerWaalsContact O-N 3.12Å; K939-Q942 PolarHBondContact O-N 3.29Å; K939-Q942 VanDerWaalsContact O-N 3.11Å; L940-Q942 VanDerWaalsContact C-N 3.35Å; Q942-E944 VanDerWaalsContact C-N 3.29Å; Q942-E944 PolarHBondContact O-N 3.44Å; Q942-F945 PolarHBondContact O-N 3.45Å; Q942-F945 VanDerWaalsContact O-N 3.13Å; Q942-Y955 PolarHBondContact OE1-OH 2.89Å; Q942-L965 HydrophobicContact CG-CD2 4.41Å |
| 943 | Q | 71.2 | Confident | 69 | Low | 79 Ų | 79 | 61.7 Ų | 61.7 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.1 | -30.8 | 178.3 | -72.3 | 179.1 | -31.4 | 0 | 0 | 113.3 | K939 L940 F945 D946 | K939-Q943 PolarHBondContact O-N 3.47Å; L940-Q943 PolarHBondContact O-N 2.99Å; Q943-F945 PolarHBondContact O-N 3.15Å; Q943-D946 PolarHBondContact O-N 3.18Å; Q943-D946 VanDerWaalsContact O-N 3.16Å |
| 944 | E | 66.8 | Low | 67.2 | Low | 124 Ų | 124 | 59.2 Ų | 59.2 | 58% | 0.579 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.2 | 176.2 | -155.2 | -177.9 | -176.7 | 0 | 0 | 112.3 | L940 I941 Q942 | L940-E944 PolarHBondContact O-N 3.11Å; I941-E944 PolarHBondContact O-N 3.35Å; Q942-E944 VanDerWaalsContact C-N 3.29Å; Q942-E944 PolarHBondContact O-N 3.44Å |
| 945 | F | 62.2 | Low | 65.6 | Low | 49 Ų | 49 | 59.4 Ų | 59.4 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -17.8 | 175.8 | -69.3 | -76.9 | 0 | 0 | 0 | 114 | I941 Q942 Q943 D947 S948 K1018 T1019 | I941-F945 HydrophobicContact CG2-CE2 4.03Å; I941-F945 WeakPolarHBondContact O-CD2 3.35Å; Q942-F945 PolarHBondContact O-N 3.45Å; Q942-F945 VanDerWaalsContact O-N 3.13Å; Q943-F945 PolarHBondContact O-N 3.15Å; F945-D947 VanDerWaalsContact C-N 3.34Å; F945-D947 PolarHBondContact O-N 3.05Å; F945-S948 PolarHBondContact O-N 2.54Å; F945-S948 PolarHBondContact O-OG 2.68Å; F945-K1018 WeakPolarHBondContact CZ-O 3.2Å; F945-T1019 HydrophobicContact CE2-CG2 4.46Å; F945-T1019 HydrophobicContact CZ-CG2 4.49Å |
| 946 | D | 52 | Low | 64 | Low | 58 Ų | 58 | 64.4 Ų | 64.4 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30.2 | -175.9 | -81.4 | -13.8 | 0 | 0 | 0 | 113.2 | T876 Q943 S948 | T876-D946 WeakPolarHBondContact CG2-OD1 3.31Å; Q943-D946 PolarHBondContact O-N 3.18Å; Q943-D946 VanDerWaalsContact O-N 3.16Å; D946-S948 PolarHBondContact O-N 3.25Å; D946-S948 VanDerWaalsContact O-N 3.14Å |
| 947 | D | 50.1 | Low | 62.3 | Low | 161 Ų | 161 | 62.9 Ų | 62.9 | 86% | 0.861 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.9 | 177.9 | -78.3 | -20.8 | 0 | 0 | 0 | 113.5 | F945 | F945-D947 VanDerWaalsContact C-N 3.34Å; F945-D947 PolarHBondContact O-N 3.05Å |
| 948 | S | 50.1 | Low | 60.5 | Low | 43 Ų | 43 | 72 Ų | 72 | 30% | 0.301 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -93.1 | 131.6 | 176.7 | 73.9 | 0 | 0 | 0 | 0 | 111.6 | F945 D946 T950 S951 | F945-S948 PolarHBondContact O-N 2.54Å; F945-S948 PolarHBondContact O-OG 2.68Å; D946-S948 PolarHBondContact O-N 3.25Å; D946-S948 VanDerWaalsContact O-N 3.14Å; S948-T950 PolarHBondContact O-N 3.15Å; S948-S951 VanDerWaalsContact O-CB 3.31Å; S948-S951 WeakPolarHBondContact O-CB 3.41Å; S948-S951 PolarHBondContact O-N 3.4Å; S948-S951 PolarHBondContact O-OG 2.8Å |
| 949 | P | 49.1 | Very low | 59.3 | Low | 132 Ų | 132 | 74.8 Ų | 74.8 | 86% | 0.857 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -3.1 | 177.2 | 24.7 | -33 | 0 | 0 | 0 | 114 | ||
| 950 | T | 48.9 | Very low | 58.4 | Low | 88 Ų | 88 | 81 Ų | 81 | 54% | 0.54 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -3.4 | 175.6 | -39 | 0 | 0 | 0 | 0 | 112.8 | S948 V952 E953 F954 | S948-T950 PolarHBondContact O-N 3.15Å; T950-V952 PolarHBondContact O-N 2.85Å; T950-E953 PolarHBondContact O-N 3.42Å; T950-F954 WeakPolarHBondContact O-CB 3.45Å; T950-F954 PolarHBondContact O-N 3.28Å; T950-F954 VanDerWaalsContact O-N 3.12Å |
| 951 | S | 47.4 | Very low | 57.9 | Low | 15 Ų | 15 | 79.4 Ų | 79.4 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63 | -38 | -176.8 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | S948 E953 F954 Y955 | S948-S951 VanDerWaalsContact O-CB 3.31Å; S948-S951 WeakPolarHBondContact O-CB 3.41Å; S948-S951 PolarHBondContact O-N 3.4Å; S948-S951 PolarHBondContact O-OG 2.8Å; S951-E953 VanDerWaalsContact C-N 3.32Å; S951-E953 PolarHBondContact O-N 2.9Å; S951-F954 VanDerWaalsContact O-CB 3.3Å; S951-F954 WeakPolarHBondContact O-CB 3.45Å; S951-F954 PolarHBondContact O-N 2.74Å; S951-Y955 WeakPolarHBondContact O-CD2 3.27Å; S951-Y955 PolarHBondContact O-N 3.25Å |
| 952 | V | 50.9 | Low | 57.4 | Low | 106 Ų | 106 | 79.5 Ų | 79.5 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.5 | -33.3 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | T950 | T950-V952 PolarHBondContact O-N 2.85Å |
| 953 | E | 50.3 | Low | 57.2 | Low | 131 Ų | 131 | 83.9 Ų | 83.9 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -79.2 | -24.7 | 175.9 | -151.6 | 171.7 | -159.5 | 0 | 0 | 112.3 | T950 S951 K956 | T950-E953 PolarHBondContact O-N 3.42Å; S951-E953 VanDerWaalsContact C-N 3.32Å; S951-E953 PolarHBondContact O-N 2.9Å; E953-K956 IonicContact OE1-NZ 3.87Å |
| 954 | F | 52.2 | Low | 57.5 | Low | 31 Ų | 31 | 81.8 Ų | 81.8 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.7 | -42.7 | -178.6 | -173.1 | -95.2 | 0 | 0 | 0 | 112.9 | T950 S951 W961 K1018 | T950-F954 WeakPolarHBondContact O-CB 3.45Å; T950-F954 PolarHBondContact O-N 3.28Å; T950-F954 VanDerWaalsContact O-N 3.12Å; S951-F954 VanDerWaalsContact O-CB 3.3Å; S951-F954 WeakPolarHBondContact O-CB 3.45Å; S951-F954 PolarHBondContact O-N 2.74Å; F954-W961 HydrophobicContact CD1-CZ3 4.1Å; F954-W961 HydrophobicContact CE1-CE3 4.35Å; F954-W961 AromaticContact CE1-CH2 3.57Å; F954-W961 HydrophobicContact CE1-CH2 3.57Å; F954-W961 AromaticContact CE1-CZ3 3.4Å; F954-W961 HydrophobicContact CE1-CZ3 3.4Å; F954-W961 VanDerWaalsContact CE1-CZ3 3.4Å; F954-W961 AromaticContact CZ-CH2 3.93Å; F954-W961 HydrophobicContact CZ-CH2 3.93Å; F954-W961 AromaticContact CZ-CZ3 3.99Å; F954-W961 HydrophobicContact CZ-CZ3 3.99Å; F954-K1018 HydrophobicContact CD2-CD 4.27Å; F954-K1018 HydrophobicContact CE2-CB 4.13Å; F954-K1018 HydrophobicContact CE2-CD 3.37Å; F954-K1018 HydrophobicContact CE2-CG 4.37Å; F954-K1018 HydrophobicContact CZ-CB 4.16Å; F954-K1018 HydrophobicContact CZ-CD 3.95Å |
| 955 | Y | 57.1 | Low | 58.2 | Low | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 26.3 | -175.3 | -65.1 | -61.1 | 0 | 0 | 0 | 115.1 | S875 T876 I879 Q942 S951 W961 | S875-Y955 WeakPolarHBondContact CB-O 3.43Å; T876-Y955 HydrophobicContact CG2-CD2 4.19Å; T876-Y955 HydrophobicContact CG2-CE2 4.14Å; T876-Y955 VanDerWaalsContact OG1-CD2 3.32Å; T876-Y955 WeakPolarHBondContact OG1-CD2 3.41Å; I879-Y955 HydrophobicContact CD1-CD1 2.94Å; I879-Y955 HydrophobicContact CD1-CE1 3.34Å; I879-Y955 HydrophobicContact CD1-CG 3.6Å; I879-Y955 HydrophobicContact CG1-CD1 4.43Å; Q942-Y955 PolarHBondContact OE1-OH 2.89Å; S951-Y955 WeakPolarHBondContact O-CD2 3.27Å; S951-Y955 PolarHBondContact O-N 3.25Å; Y955-W961 AromaticContact CD1-CZ3 3.98Å; Y955-W961 HydrophobicContact CD1-CZ3 3.98Å; Y955-W961 HydrophobicContact CE1-CH2 4.12Å; Y955-W961 AromaticContact CE1-CZ3 3.72Å; Y955-W961 HydrophobicContact CE1-CZ3 3.72Å |
| 956 | K | 57.2 | Low | 59 | Low | 109 Ų | 109 | 74.9 Ų | 74.9 | 47% | 0.474 | 39% | 0.387 | S | S | . | . | trans | -46.7 | 131.2 | 175.8 | -73.8 | 179.4 | -175.3 | 173 | 0 | 111 | E953 Y958 N959 | E953-K956 IonicContact OE1-NZ 3.87Å; K956-Y958 PolarHBondContact O-N 3.36Å; K956-N959 VanDerWaalsContact O-CB 3.28Å; K956-N959 WeakPolarHBondContact O-CB 3.45Å; K956-N959 PolarHBondContact O-N 3.44Å | ||
| 957 | P | 50.9 | Low | 60.5 | Low | 71 Ų | 71 | 75 Ų | 75 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.9 | -170 | 20.7 | -26 | 0 | 0 | 0 | 112.7 | S875 | S875-P957 VanDerWaalsContact OG-CD 3.25Å; S875-P957 WeakPolarHBondContact OG-CD 3.37Å; S875-P957 WeakPolarHBondContact OG-CG 3.3Å |
| 958 | Y | 49.3 | Very low | 62.1 | Low | 203 Ų | 203 | 67.5 Ų | 67.5 | 80% | 0.796 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.8 | 176.8 | -61.2 | -77.4 | 0 | 0 | 0 | 114.4 | K956 R960 | K956-Y958 PolarHBondContact O-N 3.36Å; Y958-R960 PolarHBondContact O-N 2.8Å |
| 959 | N | 62.6 | Low | 63.8 | Low | 59 Ų | 59 | 65.6 Ų | 65.6 | 32% | 0.316 | 34% | 0.34 | S | S | . | . | trans | -71.8 | 123.4 | 177.2 | -169.7 | -12.5 | 0 | 0 | 0 | 109.9 | K956 W961 T962 K963 | K956-N959 VanDerWaalsContact O-CB 3.28Å; K956-N959 WeakPolarHBondContact O-CB 3.45Å; K956-N959 PolarHBondContact O-N 3.44Å; N959-W961 PolarHBondContact O-N 3.29Å; N959-W961 VanDerWaalsContact O-N 3.1Å; N959-W961 PolarHBondContact OD1-N 3.37Å; N959-T962 WeakPolarHBondContact O-CB 3.35Å; N959-T962 PolarHBondContact O-N 3.12Å; N959-K963 PolarHBondContact O-N 3.04Å; N959-K963 VanDerWaalsContact O-N 3.12Å | ||
| 960 | R | 63.7 | Low | 65.5 | Low | 159 Ų | 159 | 64.5 Ų | 64.5 | 60% | 0.6 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -53.9 | -32.2 | 179.2 | -68 | -171.1 | -177.1 | -137.5 | 3.4 | 112.2 | Y958 G964 E1113 | Y958-R960 PolarHBondContact O-N 2.8Å; R960-G964 PolarHBondContact O-N 3.39Å; R960-E1113 IonicContact CZ-OE1 3.94Å; R960-E1113 IonicContact NH2-OE1 3.62Å; R960-E1113 PolarHBondContact NH2-OE1 2.79Å |
| 961 | W | 72 | Confident | 67.3 | Low | 40 Ų | 40 | 63.9 Ų | 63.9 | 15% | 0.152 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.4 | -47 | 176.4 | 179.8 | 80.7 | 0 | 0 | 0 | 112.5 | F954 Y955 N959 K963 G964 L965 A1014 | F954-W961 HydrophobicContact CD1-CZ3 4.1Å; F954-W961 HydrophobicContact CE1-CE3 4.35Å; F954-W961 AromaticContact CE1-CH2 3.57Å; F954-W961 HydrophobicContact CE1-CH2 3.57Å; F954-W961 AromaticContact CE1-CZ3 3.4Å; F954-W961 HydrophobicContact CE1-CZ3 3.4Å; F954-W961 VanDerWaalsContact CE1-CZ3 3.4Å; F954-W961 AromaticContact CZ-CH2 3.93Å; F954-W961 HydrophobicContact CZ-CH2 3.93Å; F954-W961 AromaticContact CZ-CZ3 3.99Å; F954-W961 HydrophobicContact CZ-CZ3 3.99Å; Y955-W961 AromaticContact CD1-CZ3 3.98Å; Y955-W961 HydrophobicContact CD1-CZ3 3.98Å; Y955-W961 HydrophobicContact CE1-CH2 4.12Å; Y955-W961 AromaticContact CE1-CZ3 3.72Å; Y955-W961 HydrophobicContact CE1-CZ3 3.72Å; N959-W961 PolarHBondContact O-N 3.29Å; N959-W961 VanDerWaalsContact O-N 3.1Å; N959-W961 PolarHBondContact OD1-N 3.37Å; W961-K963 VanDerWaalsContact C-N 3.29Å; W961-K963 PolarHBondContact O-N 3.11Å; W961-G964 PolarHBondContact O-N 3.12Å; W961-G964 VanDerWaalsContact O-N 3.09Å; W961-L965 HydrophobicContact CH2-CD2 3.83Å; W961-L965 HydrophobicContact CZ2-CD2 4.24Å; W961-L965 HydrophobicContact CZ3-CD2 4.29Å; W961-L965 PolarHBondContact O-N 2.9Å; W961-A1014 WeakPolarHBondContact CZ2-O 3.42Å; W961-A1014 PolarHBondContact NE1-O 3.24Å |
| 962 | T | 68.9 | Low | 69.3 | Low | 4 Ų | 4 | 63.2 Ų | 63.2 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.4 | -44.7 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 111 | I879 N959 G964 L965 L966 | I879-T962 HydrophobicContact CD1-CG2 3.56Å; I879-T962 HydrophobicContact CG1-CG2 3.96Å; N959-T962 WeakPolarHBondContact O-CB 3.35Å; N959-T962 PolarHBondContact O-N 3.12Å; T962-G964 PolarHBondContact O-N 3.29Å; T962-L965 PolarHBondContact O-N 3.44Å; T962-L966 HydrophobicContact CG2-CD1 3.72Å; T962-L966 WeakPolarHBondContact O-CD1 3.17Å; T962-L966 PolarHBondContact O-N 3.03Å |
| 963 | K | 69.1 | Low | 71 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.8 | -68.3 | -171.1 | 174.6 | -170.6 | 0 | 112.7 | N959 W961 S967 | N959-K963 PolarHBondContact O-N 3.04Å; N959-K963 VanDerWaalsContact O-N 3.12Å; W961-K963 VanDerWaalsContact C-N 3.29Å; W961-K963 PolarHBondContact O-N 3.11Å; K963-S967 WeakPolarHBondContact O-CB 3.39Å; K963-S967 PolarHBondContact O-N 3.1Å |
| 964 | G | 77.2 | Confident | 72.8 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | R960 W961 T962 A968 | R960-G964 PolarHBondContact O-N 3.39Å; W961-G964 PolarHBondContact O-N 3.12Å; W961-G964 VanDerWaalsContact O-N 3.09Å; T962-G964 PolarHBondContact O-N 3.29Å; G964-A968 VanDerWaalsContact O-CB 3.32Å; G964-A968 WeakPolarHBondContact O-CB 3.35Å; G964-A968 PolarHBondContact O-N 3.32Å |
| 965 | L | 81.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.9 | -48.8 | 177.3 | -174.8 | 67.8 | 0 | 0 | 0 | 112 | I879 M883 Q942 W961 T962 S967 A968 A969 L1011 A1014 | I879-L965 HydrophobicContact CG2-CD2 3.95Å; M883-L965 HydrophobicContact CE-CD1 3.82Å; M883-L965 HydrophobicContact CE-CD2 4Å; M883-L965 HydrophobicContact CE-CG 3.96Å; Q942-L965 HydrophobicContact CG-CD2 4.41Å; W961-L965 HydrophobicContact CH2-CD2 3.83Å; W961-L965 HydrophobicContact CZ2-CD2 4.24Å; W961-L965 HydrophobicContact CZ3-CD2 4.29Å; W961-L965 PolarHBondContact O-N 2.9Å; T962-L965 PolarHBondContact O-N 3.44Å; L965-S967 PolarHBondContact O-N 3.22Å; L965-A968 PolarHBondContact O-N 3.3Å; L965-A969 PolarHBondContact O-N 2.91Å; L965-L1011 HydrophobicContact CD1-CD1 3.88Å; L965-A1014 HydrophobicContact CB-CB 4.35Å; L965-A1014 HydrophobicContact CD1-CB 3.83Å |
| 966 | L | 80.1 | Confident | 76.1 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 175.8 | -96.6 | 124.5 | 0 | 0 | 0 | 111.9 | V878 I879 E882 T962 A969 K970 | V878-L966 HydrophobicContact CG1-CD2 4.08Å; I879-L966 HydrophobicContact CG1-CD1 3.58Å; I879-L966 HydrophobicContact CG1-CG 4.33Å; E882-L966 HydrophobicContact CB-CD2 3.64Å; E882-L966 HydrophobicContact CB-CG 4.34Å; E882-L966 HydrophobicContact CG-CD2 3.64Å; E882-L966 HydrophobicContact CG-CG 4.34Å; T962-L966 HydrophobicContact CG2-CD1 3.72Å; T962-L966 WeakPolarHBondContact O-CD1 3.17Å; T962-L966 PolarHBondContact O-N 3.03Å; L966-A969 PolarHBondContact O-N 3.38Å; L966-K970 WeakPolarHBondContact O-CG 3.27Å; L966-K970 PolarHBondContact O-N 3.44Å |
| 967 | S | 82.1 | Confident | 77.6 | Confident | 60 Ų | 60 | 50.5 Ų | 50.5 | 42% | 0.42 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | K963 L965 A969 K970 F971 | K963-S967 WeakPolarHBondContact O-CB 3.39Å; K963-S967 PolarHBondContact O-N 3.1Å; L965-S967 PolarHBondContact O-N 3.22Å; S967-A969 VanDerWaalsContact C-N 3.32Å; S967-A969 PolarHBondContact O-N 3.46Å; S967-K970 PolarHBondContact O-N 3.44Å; S967-F971 VanDerWaalsContact O-CB 3.26Å; S967-F971 WeakPolarHBondContact O-CB 3.45Å; S967-F971 PolarHBondContact O-N 3.16Å |
| 968 | A | 85 | Confident | 79.5 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G964 L965 F971 V972 Q1010 L1011 | G964-A968 VanDerWaalsContact O-CB 3.32Å; G964-A968 WeakPolarHBondContact O-CB 3.35Å; G964-A968 PolarHBondContact O-N 3.32Å; L965-A968 PolarHBondContact O-N 3.3Å; A968-F971 PolarHBondContact O-N 2.99Å; A968-V972 VanDerWaalsContact O-CG2 3.28Å; A968-V972 WeakPolarHBondContact O-CG2 3.43Å; A968-V972 PolarHBondContact O-N 3.26Å; A968-V972 VanDerWaalsContact O-N 3.1Å; A968-Q1010 HydrophobicContact CB-CB 4.28Å; A968-L1011 HydrophobicContact CB-CB 4.09Å; A968-L1011 HydrophobicContact CB-CD1 4.26Å |
| 969 | A | 85.6 | Confident | 81.5 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -52 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T886 L965 L966 S967 F971 V972 G973 L1011 | T886-A969 HydrophobicContact CG2-CB 4.45Å; T886-A969 WeakPolarHBondContact CG2-O 3.19Å; T886-A969 PolarHBondContact OG1-O 2.92Å; L965-A969 PolarHBondContact O-N 2.91Å; L966-A969 PolarHBondContact O-N 3.38Å; S967-A969 VanDerWaalsContact C-N 3.32Å; S967-A969 PolarHBondContact O-N 3.46Å; A969-F971 VanDerWaalsContact C-N 3.27Å; A969-F971 PolarHBondContact O-N 3.47Å; A969-V972 PolarHBondContact O-N 3Å; A969-V972 VanDerWaalsContact O-N 3.15Å; A969-G973 PolarHBondContact O-N 3.1Å; A969-G973 VanDerWaalsContact O-N 3.08Å; A969-L1011 HydrophobicContact CB-CD1 4.46Å |
| 970 | K | 84.4 | Confident | 82.7 | Confident | 109 Ų | 109 | 37.8 Ų | 37.8 | 47% | 0.474 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -53.4 | -45.5 | 175.8 | -77.8 | -179.1 | 178.6 | -171.4 | 0 | 112.4 | E882 L966 S967 V972 G973 A974 | E882-K970 HydrophobicContact CG-CG 4.04Å; E882-K970 WeakPolarHBondContact OE1-CE 3.48Å; E882-K970 WeakPolarHBondContact OE1-CG 3.34Å; E882-K970 WeakPolarHBondContact OE2-CE 3.42Å; E882-K970 IonicContact OE2-NZ 3.71Å; E882-K970 PolarHBondContact OE2-NZ 3.21Å; L966-K970 WeakPolarHBondContact O-CG 3.27Å; L966-K970 PolarHBondContact O-N 3.44Å; S967-K970 PolarHBondContact O-N 3.44Å; K970-V972 VanDerWaalsContact C-N 3.34Å; K970-V972 PolarHBondContact O-N 3.2Å; K970-G973 PolarHBondContact O-N 3.4Å; K970-A974 WeakPolarHBondContact O-CB 3.14Å; K970-A974 PolarHBondContact O-N 3.44Å |
| 971 | F | 85.6 | Confident | 83.9 | Confident | 75 Ų | 75 | 36 Ų | 36 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.6 | -34.9 | -176.8 | -166.3 | -117.8 | 0 | 0 | 0 | 112.5 | S967 A968 A969 S975 E1003 | S967-F971 VanDerWaalsContact O-CB 3.26Å; S967-F971 WeakPolarHBondContact O-CB 3.45Å; S967-F971 PolarHBondContact O-N 3.16Å; A968-F971 PolarHBondContact O-N 2.99Å; A969-F971 VanDerWaalsContact C-N 3.27Å; A969-F971 PolarHBondContact O-N 3.47Å; F971-S975 VanDerWaalsContact O-CB 3.29Å; F971-S975 WeakPolarHBondContact O-CB 3.33Å; F971-S975 PolarHBondContact O-N 2.94Å; F971-S975 PolarHBondContact O-OG 2.84Å; F971-E1003 HydrophobicContact CE1-CG 3.81Å; F971-E1003 WeakPolarHBondContact CE1-OE1 3.43Å; F971-E1003 HydrophobicContact CZ-CG 3.61Å; F971-E1003 WeakPolarHBondContact CZ-OE1 3.43Å |
| 972 | V | 89.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 171.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | I890 V931 V935 A968 A969 K970 S975 A976 T1008 L1011 | I890-V972 HydrophobicContact CD1-CG1 4.01Å; V931-V972 HydrophobicContact CG1-CG1 3.6Å; V935-V972 HydrophobicContact CG2-CG1 4.13Å; A968-V972 VanDerWaalsContact O-CG2 3.28Å; A968-V972 WeakPolarHBondContact O-CG2 3.43Å; A968-V972 PolarHBondContact O-N 3.26Å; A968-V972 VanDerWaalsContact O-N 3.1Å; A969-V972 PolarHBondContact O-N 3Å; A969-V972 VanDerWaalsContact O-N 3.15Å; K970-V972 VanDerWaalsContact C-N 3.34Å; K970-V972 PolarHBondContact O-N 3.2Å; V972-S975 PolarHBondContact O-N 3.43Å; V972-A976 PolarHBondContact O-N 3.3Å; V972-T1008 HydrophobicContact CG1-CG2 4.21Å; V972-T1008 HydrophobicContact CG2-CG2 4.11Å; V972-L1011 HydrophobicContact CG2-CB 4.46Å; V972-L1011 HydrophobicContact CG2-CD2 4.35Å |
| 973 | G | 87.8 | Confident | 85.4 | Confident | 5 Ų | 5 | 35 Ų | 35 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | A969 K970 A976 N977 | A969-G973 PolarHBondContact O-N 3.1Å; A969-G973 VanDerWaalsContact O-N 3.08Å; K970-G973 PolarHBondContact O-N 3.4Å; G973-A976 PolarHBondContact O-N 3.5Å; G973-N977 PolarHBondContact O-N 3.39Å; G973-N977 VanDerWaalsContact O-N 3.15Å |
| 974 | A | 87 | Confident | 86.2 | Confident | 49 Ų | 49 | 32.9 Ų | 32.9 | 41% | 0.405 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K970 A976 N977 V978 | K970-A974 WeakPolarHBondContact O-CB 3.14Å; K970-A974 PolarHBondContact O-N 3.44Å; A974-A976 VanDerWaalsContact C-N 3.28Å; A974-A976 PolarHBondContact O-N 3.28Å; A974-N977 PolarHBondContact O-N 2.88Å; A974-V978 WeakPolarHBondContact O-CG2 3.43Å; A974-V978 PolarHBondContact O-N 3.01Å |
| 975 | S | 89.2 | Confident | 86.4 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -36.8 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | F971 V972 M979 | F971-S975 VanDerWaalsContact O-CB 3.29Å; F971-S975 WeakPolarHBondContact O-CB 3.33Å; F971-S975 PolarHBondContact O-N 2.94Å; F971-S975 PolarHBondContact O-OG 2.84Å; V972-S975 PolarHBondContact O-N 3.43Å; S975-M979 WeakPolarHBondContact O-CB 3.42Å; S975-M979 PolarHBondContact O-N 3.43Å |
| 976 | A | 89.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I890 A893 L928 V972 G973 A974 M979 V980 | I890-A976 HydrophobicContact CG1-CB 4.11Å; A893-A976 HydrophobicContact CB-CB 4.22Å; L928-A976 HydrophobicContact CD2-CB 3.79Å; V972-A976 PolarHBondContact O-N 3.3Å; G973-A976 PolarHBondContact O-N 3.5Å; A974-A976 VanDerWaalsContact C-N 3.28Å; A974-A976 PolarHBondContact O-N 3.28Å; A976-M979 WeakPolarHBondContact O-CB 3.29Å; A976-M979 PolarHBondContact O-N 3.31Å; A976-V980 WeakPolarHBondContact O-CG2 3.43Å; A976-V980 PolarHBondContact O-N 2.98Å; A976-V980 VanDerWaalsContact O-N 3.17Å |
| 977 | N | 89.4 | Confident | 86.2 | Confident | 54 Ų | 54 | 33.2 Ų | 33.2 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 176.4 | -76.5 | -26.3 | 0 | 0 | 0 | 112.3 | G973 A974 M979 V980 E981 | G973-N977 PolarHBondContact O-N 3.39Å; G973-N977 VanDerWaalsContact O-N 3.15Å; A974-N977 PolarHBondContact O-N 2.88Å; N977-M979 PolarHBondContact O-N 3.27Å; N977-V980 WeakPolarHBondContact O-CB 3.43Å; N977-V980 PolarHBondContact O-N 3.48Å; N977-V980 VanDerWaalsContact O-N 3.08Å; N977-E981 PolarHBondContact O-N 2.96Å |
| 978 | V | 90.5 | Very high | 85.8 | Confident | 57 Ų | 57 | 34.1 Ų | 34.1 | 35% | 0.345 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.7 | -35.9 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | A974 V980 E981 I982 I1000 | A974-V978 WeakPolarHBondContact O-CG2 3.43Å; A974-V978 PolarHBondContact O-N 3.01Å; V978-V980 PolarHBondContact O-N 3.46Å; V978-E981 PolarHBondContact O-N 3.22Å; V978-I982 HydrophobicContact CG1-CD1 3.78Å; V978-I982 HydrophobicContact CG1-CG1 4.37Å; V978-I982 VanDerWaalsContact O-CG1 3.26Å; V978-I982 WeakPolarHBondContact O-CG1 3.35Å; V978-I982 PolarHBondContact O-N 2.99Å; V978-I1000 HydrophobicContact CB-CD1 4.02Å; V978-I1000 HydrophobicContact CG1-CD1 3.78Å; V978-I1000 HydrophobicContact CG1-CG1 4.22Å |
| 979 | M | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 175.3 | -171.8 | -177.6 | -176.7 | 0 | 0 | 112.3 | F897 C924 L927 L928 S975 A976 N977 A983 L997 I1000 I1004 L1043 | F897-M979 HydrophobicContact CE2-CG 4.29Å; F897-M979 HydrophobicContact CZ-CG 4.08Å; C924-M979 HydrophobicContact CB-CE 3.54Å; C924-M979 WeakPolarHBondContact SG-CE 3.31Å; L927-M979 HydrophobicContact CD2-CE 3.92Å; L927-M979 HydrophobicContact CD2-SD 4.24Å; L928-M979 HydrophobicContact CD2-SD 4.18Å; L928-M979 HydrophobicContact CG-SD 4.39Å; S975-M979 WeakPolarHBondContact O-CB 3.42Å; S975-M979 PolarHBondContact O-N 3.43Å; A976-M979 WeakPolarHBondContact O-CB 3.29Å; A976-M979 PolarHBondContact O-N 3.31Å; N977-M979 PolarHBondContact O-N 3.27Å; M979-A983 WeakPolarHBondContact O-CB 3.4Å; M979-A983 PolarHBondContact O-N 3.28Å; M979-L997 HydrophobicContact CE-CD1 4.13Å; M979-L997 HydrophobicContact CG-CD1 4.09Å; M979-I1000 HydrophobicContact CB-CG1 3.98Å; M979-I1000 HydrophobicContact CB-CG2 4.26Å; M979-I1000 HydrophobicContact CG-CG2 4.09Å; M979-I1004 HydrophobicContact CB-CD1 4.03Å; M979-I1004 HydrophobicContact CG-CD1 4.2Å; M979-I1004 HydrophobicContact SD-CD1 3.31Å; M979-I1004 WeakPolarHBondContact SD-CD1 3.44Å; M979-L1043 HydrophobicContact CE-CD2 3.43Å; M979-L1043 VanDerWaalsContact CE-CD2 3.43Å |
| 980 | V | 88.5 | Confident | 84.1 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.3 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | A893 K896 F897 A976 N977 V978 I982 A983 D984 | A893-V980 HydrophobicContact CB-CG2 3.49Å; A893-V980 VanDerWaalsContact CB-CG2 3.49Å; A893-V980 WeakPolarHBondContact O-CG2 3.11Å; K896-V980 HydrophobicContact CB-CG1 3.67Å; K896-V980 HydrophobicContact CD-CG1 3.85Å; K896-V980 HydrophobicContact CG-CG1 4.41Å; F897-V980 HydrophobicContact CD2-CB 4.47Å; F897-V980 HydrophobicContact CD2-CG2 3.57Å; F897-V980 HydrophobicContact CE2-CB 4.06Å; F897-V980 HydrophobicContact CE2-CG2 3.38Å; F897-V980 HydrophobicContact CZ-CG2 4.38Å; A976-V980 WeakPolarHBondContact O-CG2 3.43Å; A976-V980 PolarHBondContact O-N 2.98Å; A976-V980 VanDerWaalsContact O-N 3.17Å; N977-V980 WeakPolarHBondContact O-CB 3.43Å; N977-V980 PolarHBondContact O-N 3.48Å; N977-V980 VanDerWaalsContact O-N 3.08Å; V978-V980 PolarHBondContact O-N 3.46Å; V980-I982 VanDerWaalsContact C-N 3.33Å; V980-I982 PolarHBondContact O-N 3.48Å; V980-A983 PolarHBondContact O-N 2.98Å; V980-D984 VanDerWaalsContact O-CB 3.3Å; V980-D984 WeakPolarHBondContact O-CB 3.4Å; V980-D984 PolarHBondContact O-N 3.38Å |
| 981 | E | 87.8 | Confident | 83.3 | Confident | 121 Ų | 121 | 45.5 Ų | 45.5 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 179.9 | -70.1 | 174.8 | -176.1 | 0 | 0 | 112.5 | N977 V978 S985 | N977-E981 PolarHBondContact O-N 2.96Å; V978-E981 PolarHBondContact O-N 3.22Å; E981-S985 VanDerWaalsContact O-CB 3.25Å; E981-S985 WeakPolarHBondContact O-CB 3.32Å; E981-S985 PolarHBondContact O-N 3.11Å; E981-S985 PolarHBondContact O-OG 3.37Å |
| 982 | I | 87.8 | Confident | 82.8 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 174.7 | -69.7 | 165.6 | 0 | 0 | 0 | 109.8 | V978 V980 S985 I986 R996 L997 I1000 | V978-I982 HydrophobicContact CG1-CD1 3.78Å; V978-I982 HydrophobicContact CG1-CG1 4.37Å; V978-I982 VanDerWaalsContact O-CG1 3.26Å; V978-I982 WeakPolarHBondContact O-CG1 3.35Å; V978-I982 PolarHBondContact O-N 2.99Å; V980-I982 VanDerWaalsContact C-N 3.33Å; V980-I982 PolarHBondContact O-N 3.48Å; I982-S985 PolarHBondContact O-N 2.91Å; I982-I986 HydrophobicContact CG2-CD1 3.71Å; I982-I986 WeakPolarHBondContact O-CD1 3.5Å; I982-I986 WeakPolarHBondContact O-CG1 3.48Å; I982-I986 PolarHBondContact O-N 3.27Å; I982-R996 HydrophobicContact CD1-CB 4.23Å; I982-R996 HydrophobicContact CG2-CB 4.13Å; I982-L997 HydrophobicContact CG2-CB 4.36Å; I982-L997 HydrophobicContact CG2-CD1 4.3Å; I982-I1000 HydrophobicContact CD1-CB 3.96Å; I982-I1000 HydrophobicContact CD1-CG1 4.35Å; I982-I1000 HydrophobicContact CD1-CG2 3.93Å |
| 983 | A | 86 | Confident | 82.5 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F897 L921 M979 V980 S985 I986 V987 | F897-A983 HydrophobicContact CD1-CB 4.35Å; F897-A983 HydrophobicContact CE1-CB 3.23Å; F897-A983 HydrophobicContact CZ-CB 3.42Å; F897-A983 VanDerWaalsContact CZ-CB 3.42Å; L921-A983 HydrophobicContact CD2-CB 3.96Å; M979-A983 WeakPolarHBondContact O-CB 3.4Å; M979-A983 PolarHBondContact O-N 3.28Å; V980-A983 PolarHBondContact O-N 2.98Å; A983-S985 VanDerWaalsContact C-N 3.32Å; A983-S985 PolarHBondContact O-N 2.91Å; A983-I986 PolarHBondContact O-N 3.27Å; A983-V987 VanDerWaalsContact O-CG2 3.3Å; A983-V987 WeakPolarHBondContact O-CG2 3.31Å; A983-V987 PolarHBondContact O-N 2.84Å |
| 984 | D | 84.5 | Confident | 82.3 | Confident | 52 Ų | 52 | 50.4 Ų | 50.4 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 173.5 | 178.4 | 45.6 | 0 | 0 | 0 | 110.9 | L900 V980 I986 V987 C988 | L900-D984 HydrophobicContact CD1-CB 4.01Å; L900-D984 HydrophobicContact CD2-CB 4.2Å; L900-D984 WeakPolarHBondContact CD2-OD1 3.47Å; V980-D984 VanDerWaalsContact O-CB 3.3Å; V980-D984 WeakPolarHBondContact O-CB 3.4Å; V980-D984 PolarHBondContact O-N 3.38Å; D984-I986 VanDerWaalsContact C-N 3.32Å; D984-I986 PolarHBondContact O-N 3.1Å; D984-V987 PolarHBondContact O-N 3.47Å; D984-C988 VanDerWaalsContact O-CB 3.26Å; D984-C988 WeakPolarHBondContact O-CB 3.39Å; D984-C988 PolarHBondContact O-N 3.07Å; D984-C988 PolarHBondContact O-SG 3.07Å; D984-C988 VanDerWaalsContact O-SG 3.4Å; D984-C988 PolarHBondContact OD1-SG 3.37Å; D984-C988 VanDerWaalsContact OD1-SG 3.34Å |
| 985 | S | 82.6 | Confident | 82.3 | Confident | 22 Ų | 22 | 52 Ų | 52 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 177.7 | -62.2 | 0 | 0 | 0 | 0 | 113 | E981 I982 A983 G989 K990 | E981-S985 VanDerWaalsContact O-CB 3.25Å; E981-S985 WeakPolarHBondContact O-CB 3.32Å; E981-S985 PolarHBondContact O-N 3.11Å; E981-S985 PolarHBondContact O-OG 3.37Å; I982-S985 PolarHBondContact O-N 2.91Å; A983-S985 VanDerWaalsContact C-N 3.32Å; A983-S985 PolarHBondContact O-N 2.91Å; S985-G989 PolarHBondContact O-N 3.01Å; S985-K990 WeakPolarHBondContact O-CB 3.45Å; S985-K990 PolarHBondContact O-N 3.22Å |
| 986 | I | 80.1 | Confident | 82.4 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 175.2 | -69.3 | 160.7 | 0 | 0 | 0 | 110.8 | I982 A983 D984 G989 V992 L994 L997 | I982-I986 HydrophobicContact CG2-CD1 3.71Å; I982-I986 WeakPolarHBondContact O-CD1 3.5Å; I982-I986 WeakPolarHBondContact O-CG1 3.48Å; I982-I986 PolarHBondContact O-N 3.27Å; A983-I986 PolarHBondContact O-N 3.27Å; D984-I986 VanDerWaalsContact C-N 3.32Å; D984-I986 PolarHBondContact O-N 3.1Å; I986-G989 PolarHBondContact O-N 3.28Å; I986-V992 HydrophobicContact CG1-CB 4.48Å; I986-V992 HydrophobicContact CG1-CG1 4.36Å; I986-L994 HydrophobicContact CD1-CD2 4.1Å; I986-L994 HydrophobicContact CG1-CD2 4.45Å; I986-L994 HydrophobicContact CG2-CD2 3.86Å; I986-L997 HydrophobicContact CD1-CB 4.48Å |
| 987 | V | 76.3 | Confident | 82.4 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 179.3 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | L921 A983 D984 G989 | L921-V987 HydrophobicContact CD1-CG2 3.73Å; L921-V987 HydrophobicContact CD2-CG2 3.9Å; L921-V987 HydrophobicContact CG-CG2 4.17Å; A983-V987 VanDerWaalsContact O-CG2 3.3Å; A983-V987 WeakPolarHBondContact O-CG2 3.31Å; A983-V987 PolarHBondContact O-N 2.84Å; D984-V987 PolarHBondContact O-N 3.47Å; V987-G989 PolarHBondContact O-N 2.92Å; V987-G989 VanDerWaalsContact O-N 3.15Å |
| 988 | C | 73.1 | Confident | 82.5 | Confident | 78 Ų | 78 | 57.4 Ų | 57.4 | 53% | 0.527 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -5.6 | 175.7 | -75.1 | 0 | 0 | 0 | 0 | 113.6 | D984 K990 | D984-C988 VanDerWaalsContact O-CB 3.26Å; D984-C988 WeakPolarHBondContact O-CB 3.39Å; D984-C988 PolarHBondContact O-N 3.07Å; D984-C988 PolarHBondContact O-SG 3.07Å; D984-C988 VanDerWaalsContact O-SG 3.4Å; D984-C988 PolarHBondContact OD1-SG 3.37Å; D984-C988 VanDerWaalsContact OD1-SG 3.34Å; C988-K990 VanDerWaalsContact C-N 3.28Å; C988-K990 HydrophobicContact CB-CG 4.45Å; C988-K990 PolarHBondContact O-N 3.12Å |
| 989 | G | 66.7 | Low | 82.5 | Confident | 66 Ų | 66 | 59 Ų | 59 | 68% | 0.68 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 21.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S985 I986 V987 | S985-G989 PolarHBondContact O-N 3.01Å; I986-G989 PolarHBondContact O-N 3.28Å; V987-G989 PolarHBondContact O-N 2.92Å; V987-G989 VanDerWaalsContact O-N 3.15Å |
| 990 | K | 69.3 | Low | 82.5 | Confident | 119 Ų | 119 | 59.8 Ų | 59.8 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | trans | -64.7 | 149.6 | 166.7 | -65.5 | 175.5 | -177 | 165.4 | 0 | 108.1 | S985 C988 V992 | S985-K990 WeakPolarHBondContact O-CB 3.45Å; S985-K990 PolarHBondContact O-N 3.22Å; C988-K990 VanDerWaalsContact C-N 3.28Å; C988-K990 HydrophobicContact CB-CG 4.45Å; C988-K990 PolarHBondContact O-N 3.12Å; K990-V992 HydrophobicContact CB-CG2 4.17Å; K990-V992 PolarHBondContact O-N 3.21Å | ||
| 991 | D | 67.1 | Low | 82.7 | Confident | 170 Ų | 170 | 59.4 Ų | 59.4 | 91% | 0.909 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -71 | 64.2 | -176.8 | -164.1 | 14.3 | 0 | 0 | 0 | 112.1 | ||
| 992 | V | 75.1 | Confident | 82.9 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | trans | -113.1 | 123.3 | -177.7 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | I986 K990 | I986-V992 HydrophobicContact CG1-CB 4.48Å; I986-V992 HydrophobicContact CG1-CG1 4.36Å; K990-V992 HydrophobicContact CB-CG2 4.17Å; K990-V992 PolarHBondContact O-N 3.21Å | ||
| 993 | K | 83 | Confident | 83.1 | Confident | 143 Ų | 143 | 61.3 Ų | 61.3 | 62% | 0.622 | 32% | 0.323 | S | S | * | . | trans | -66.7 | 134.8 | 178.9 | -71.4 | -171.2 | -178.2 | -174.9 | 0 | 111.9 | E995 R996 | K993-E995 WeakPolarHBondContact CB-OE2 3.4Å; K993-E995 PolarHBondContact O-N 3.29Å; K993-R996 WeakPolarHBondContact O-CB 3.44Å; K993-R996 PolarHBondContact O-N 3.12Å; K993-R996 VanDerWaalsContact O-N 3.12Å | ||
| 994 | L | 84.2 | Confident | 83.3 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.4 | 176.7 | -75.4 | 174.5 | 0 | 0 | 0 | 112 | I920 I986 R996 L997 V1047 A1050 I1051 K1054 | I920-L994 HydrophobicContact CD1-CD2 4.17Å; I986-L994 HydrophobicContact CD1-CD2 4.1Å; I986-L994 HydrophobicContact CG1-CD2 4.45Å; I986-L994 HydrophobicContact CG2-CD2 3.86Å; L994-R996 PolarHBondContact O-N 3.04Å; L994-L997 VanDerWaalsContact O-CB 3.27Å; L994-L997 WeakPolarHBondContact O-CB 3.34Å; L994-L997 PolarHBondContact O-N 3.38Å; L994-V1047 HydrophobicContact CB-CG1 4.06Å; L994-V1047 WeakPolarHBondContact O-CG1 3.25Å; L994-A1050 HydrophobicContact CD1-CB 4.15Å; L994-I1051 HydrophobicContact CB-CD1 4Å; L994-I1051 HydrophobicContact CB-CG1 3.73Å; L994-I1051 HydrophobicContact CD1-CG1 3.89Å; L994-I1051 HydrophobicContact CG-CG1 4.47Å; L994-K1054 HydrophobicContact CD1-CD 4.17Å |
| 995 | E | 87.7 | Confident | 83.6 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.7 | -26.4 | 177.6 | -63.9 | 90.7 | 144.3 | 0 | 0 | 112.8 | K993 L997 I998 V999 I1051 | K993-E995 WeakPolarHBondContact CB-OE2 3.4Å; K993-E995 PolarHBondContact O-N 3.29Å; E995-L997 PolarHBondContact O-N 3.19Å; E995-I998 WeakPolarHBondContact O-CB 3.35Å; E995-I998 PolarHBondContact O-N 3.46Å; E995-I998 VanDerWaalsContact O-N 3.11Å; E995-V999 PolarHBondContact O-N 3.47Å; E995-I1051 HydrophobicContact CG-CD1 3.89Å |
| 996 | R | 90.1 | Very high | 83.9 | Confident | 147 Ų | 147 | 60.5 Ų | 60.5 | 56% | 0.555 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.2 | -33.1 | 174.2 | -67 | -164.2 | -174.3 | -169.6 | -0.8 | 111.8 | I982 K993 L994 I998 V999 I1000 | I982-R996 HydrophobicContact CD1-CB 4.23Å; I982-R996 HydrophobicContact CG2-CB 4.13Å; K993-R996 WeakPolarHBondContact O-CB 3.44Å; K993-R996 PolarHBondContact O-N 3.12Å; K993-R996 VanDerWaalsContact O-N 3.12Å; L994-R996 PolarHBondContact O-N 3.04Å; R996-I998 VanDerWaalsContact C-N 3.29Å; R996-I998 PolarHBondContact O-N 3.43Å; R996-V999 PolarHBondContact O-N 3.16Å; R996-I1000 PolarHBondContact O-N 2.74Å |
| 997 | L | 90.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.9 | -32.1 | 177.1 | -165.1 | 60.5 | 0 | 0 | 0 | 111.7 | I920 M979 I982 I986 L994 E995 I1000 S1001 L1043 V1047 | I920-L997 HydrophobicContact CG2-CD2 3.23Å; M979-L997 HydrophobicContact CE-CD1 4.13Å; M979-L997 HydrophobicContact CG-CD1 4.09Å; I982-L997 HydrophobicContact CG2-CB 4.36Å; I982-L997 HydrophobicContact CG2-CD1 4.3Å; I986-L997 HydrophobicContact CD1-CB 4.48Å; L994-L997 VanDerWaalsContact O-CB 3.27Å; L994-L997 WeakPolarHBondContact O-CB 3.34Å; L994-L997 PolarHBondContact O-N 3.38Å; E995-L997 PolarHBondContact O-N 3.19Å; L997-I1000 HydrophobicContact CD1-CG2 3.97Å; L997-I1000 WeakPolarHBondContact O-CG2 3.33Å; L997-S1001 VanDerWaalsContact O-CB 3.25Å; L997-S1001 WeakPolarHBondContact O-CB 3.41Å; L997-S1001 PolarHBondContact O-N 3.07Å; L997-S1001 VanDerWaalsContact O-N 3.07Å; L997-S1001 PolarHBondContact O-OG 2.99Å; L997-L1043 HydrophobicContact CD2-CD1 4.22Å; L997-V1047 HydrophobicContact CB-CG2 4.39Å; L997-V1047 HydrophobicContact CD2-CG2 3.69Å; L997-V1047 HydrophobicContact CG-CG2 4.2Å |
| 998 | I | 90.3 | Very high | 85.1 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 172.4 | -59.4 | 177 | 0 | 0 | 0 | 109.8 | E995 R996 S1001 Q1002 I1044 V1047 K1048 I1051 | E995-I998 WeakPolarHBondContact O-CB 3.35Å; E995-I998 PolarHBondContact O-N 3.46Å; E995-I998 VanDerWaalsContact O-N 3.11Å; R996-I998 VanDerWaalsContact C-N 3.29Å; R996-I998 PolarHBondContact O-N 3.43Å; I998-S1001 PolarHBondContact O-N 3.19Å; I998-S1001 PolarHBondContact O-OG 3.31Å; I998-Q1002 WeakPolarHBondContact O-CG 3.36Å; I998-Q1002 PolarHBondContact O-N 3.06Å; I998-I1044 HydrophobicContact CG2-CG1 4.22Å; I998-I1044 HydrophobicContact CG2-CG2 4.22Å; I998-V1047 HydrophobicContact CD1-CG1 4.01Å; I998-V1047 HydrophobicContact CG1-CB 4.11Å; I998-V1047 HydrophobicContact CG1-CG1 3.69Å; I998-K1048 HydrophobicContact CD1-CG 4.04Å; I998-I1051 HydrophobicContact CD1-CD1 4.04Å |
| 999 | V | 91.4 | Very high | 85.8 | Confident | 91 Ų | 91 | 56.7 Ų | 56.7 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.5 | -50.3 | -178.7 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | E995 R996 S1001 Q1002 E1003 | E995-V999 PolarHBondContact O-N 3.47Å; R996-V999 PolarHBondContact O-N 3.16Å; V999-S1001 VanDerWaalsContact C-N 3.31Å; V999-S1001 PolarHBondContact O-N 3.36Å; V999-Q1002 PolarHBondContact O-N 3.39Å; V999-E1003 PolarHBondContact O-N 3.16Å |
| 1000 | I | 91.6 | Very high | 86.7 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -34.7 | -179.4 | -165.5 | 61.7 | 0 | 0 | 0 | 112.2 | V978 M979 I982 R996 L997 Q1002 E1003 I1004 | V978-I1000 HydrophobicContact CB-CD1 4.02Å; V978-I1000 HydrophobicContact CG1-CD1 3.78Å; V978-I1000 HydrophobicContact CG1-CG1 4.22Å; M979-I1000 HydrophobicContact CB-CG1 3.98Å; M979-I1000 HydrophobicContact CB-CG2 4.26Å; M979-I1000 HydrophobicContact CG-CG2 4.09Å; I982-I1000 HydrophobicContact CD1-CB 3.96Å; I982-I1000 HydrophobicContact CD1-CG1 4.35Å; I982-I1000 HydrophobicContact CD1-CG2 3.93Å; R996-I1000 PolarHBondContact O-N 2.74Å; L997-I1000 HydrophobicContact CD1-CG2 3.97Å; L997-I1000 WeakPolarHBondContact O-CG2 3.33Å; I1000-Q1002 VanDerWaalsContact C-N 3.3Å; I1000-Q1002 PolarHBondContact O-N 2.96Å; I1000-E1003 HydrophobicContact CD1-CB 4.34Å; I1000-E1003 WeakPolarHBondContact O-CB 3.46Å; I1000-E1003 PolarHBondContact O-N 3.45Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.37Å; I1000-I1004 PolarHBondContact O-N 2.82Å |
| 1001 | S | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 176.2 | 73 | 0 | 0 | 0 | 0 | 112.6 | L997 I998 V999 A1005 T1040 I1044 | L997-S1001 VanDerWaalsContact O-CB 3.25Å; L997-S1001 WeakPolarHBondContact O-CB 3.41Å; L997-S1001 PolarHBondContact O-N 3.07Å; L997-S1001 VanDerWaalsContact O-N 3.07Å; L997-S1001 PolarHBondContact O-OG 2.99Å; I998-S1001 PolarHBondContact O-N 3.19Å; I998-S1001 PolarHBondContact O-OG 3.31Å; V999-S1001 VanDerWaalsContact C-N 3.31Å; V999-S1001 PolarHBondContact O-N 3.36Å; S1001-A1005 PolarHBondContact O-N 2.93Å; S1001-T1040 VanDerWaalsContact O-CG2 3.3Å; S1001-T1040 WeakPolarHBondContact O-CG2 3.37Å; S1001-I1044 VanDerWaalsContact OG-CG1 3.31Å; S1001-I1044 WeakPolarHBondContact OG-CG1 3.22Å |
| 1002 | Q | 91.3 | Very high | 88.7 | Confident | 107 Ų | 107 | 45.4 Ų | 45.4 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71 | -37 | 174.1 | -69.4 | 176.2 | -11.6 | 0 | 0 | 111.5 | I998 V999 I1000 A1005 A1006 I1044 | I998-Q1002 WeakPolarHBondContact O-CG 3.36Å; I998-Q1002 PolarHBondContact O-N 3.06Å; V999-Q1002 PolarHBondContact O-N 3.39Å; I1000-Q1002 VanDerWaalsContact C-N 3.3Å; I1000-Q1002 PolarHBondContact O-N 2.96Å; Q1002-A1005 PolarHBondContact O-N 3.2Å; Q1002-A1006 PolarHBondContact O-N 3.36Å; Q1002-I1044 HydrophobicContact CG-CD1 3.85Å |
| 1003 | E | 91.4 | Very high | 89 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 175.7 | -157.4 | 62.5 | -138.4 | 0 | 0 | 111.9 | F971 V999 I1000 A1005 A1006 S1007 | F971-E1003 HydrophobicContact CE1-CG 3.81Å; F971-E1003 WeakPolarHBondContact CE1-OE1 3.43Å; F971-E1003 HydrophobicContact CZ-CG 3.61Å; F971-E1003 WeakPolarHBondContact CZ-OE1 3.43Å; V999-E1003 PolarHBondContact O-N 3.16Å; I1000-E1003 HydrophobicContact CD1-CB 4.34Å; I1000-E1003 WeakPolarHBondContact O-CB 3.46Å; I1000-E1003 PolarHBondContact O-N 3.45Å; E1003-A1005 PolarHBondContact O-N 2.96Å; E1003-A1006 PolarHBondContact O-N 3.05Å; E1003-S1007 WeakPolarHBondContact O-CB 3.41Å; E1003-S1007 PolarHBondContact O-N 3.18Å; E1003-S1007 PolarHBondContact O-OG 3.02Å |
| 1004 | I | 91.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 172.3 | -71.2 | 172.1 | 0 | 0 | 0 | 111.1 | L927 V931 M979 I1000 A1006 S1007 T1008 | L927-I1004 HydrophobicContact CD2-CD1 4.46Å; L927-I1004 HydrophobicContact CD2-CG2 4.38Å; V931-I1004 HydrophobicContact CG2-CG2 3.62Å; M979-I1004 HydrophobicContact CB-CD1 4.03Å; M979-I1004 HydrophobicContact CG-CD1 4.2Å; M979-I1004 HydrophobicContact SD-CD1 3.31Å; M979-I1004 WeakPolarHBondContact SD-CD1 3.44Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.37Å; I1000-I1004 PolarHBondContact O-N 2.82Å; I1004-A1006 VanDerWaalsContact C-N 3.34Å; I1004-A1006 PolarHBondContact O-N 2.88Å; I1004-S1007 VanDerWaalsContact CA-OG 3.31Å; I1004-S1007 WeakPolarHBondContact CA-OG 3.22Å; I1004-S1007 PolarHBondContact O-N 2.83Å; I1004-S1007 PolarHBondContact O-OG 3.13Å; I1004-T1008 HydrophobicContact CG2-CG2 4.44Å; I1004-T1008 WeakPolarHBondContact O-CB 3.25Å; I1004-T1008 WeakPolarHBondContact O-CG2 3.02Å; I1004-T1008 PolarHBondContact O-N 2.88Å; I1004-T1008 PolarHBondContact O-OG1 3.27Å |
| 1005 | A | 90.8 | Very high | 88.7 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1001 Q1002 E1003 T1008 T1009 T1040 | S1001-A1005 PolarHBondContact O-N 2.93Å; Q1002-A1005 PolarHBondContact O-N 3.2Å; E1003-A1005 PolarHBondContact O-N 2.96Å; A1005-T1008 WeakPolarHBondContact CA-OG1 3.46Å; A1005-T1008 PolarHBondContact O-OG1 3.19Å; A1005-T1008 VanDerWaalsContact O-OG1 3.08Å; A1005-T1009 VanDerWaalsContact O-CB 3.25Å; A1005-T1009 WeakPolarHBondContact O-CB 3.28Å; A1005-T1009 PolarHBondContact O-N 2.81Å; A1005-T1009 PolarHBondContact O-OG1 3.19Å; A1005-T1040 HydrophobicContact CB-CG2 4.12Å |
| 1006 | A | 89.4 | Confident | 88.1 | Confident | 40 Ų | 40 | 47 Ų | 47 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.4 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1002 E1003 I1004 T1009 Q1010 | Q1002-A1006 PolarHBondContact O-N 3.36Å; E1003-A1006 PolarHBondContact O-N 3.05Å; I1004-A1006 VanDerWaalsContact C-N 3.34Å; I1004-A1006 PolarHBondContact O-N 2.88Å; A1006-T1009 WeakPolarHBondContact O-CB 3.02Å; A1006-T1009 PolarHBondContact O-N 3.31Å; A1006-Q1010 WeakPolarHBondContact O-CG 3.41Å; A1006-Q1010 PolarHBondContact O-N 3.49Å |
| 1007 | S | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -43.3 | -179.6 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | E1003 I1004 T1009 Q1010 L1011 | E1003-S1007 WeakPolarHBondContact O-CB 3.41Å; E1003-S1007 PolarHBondContact O-N 3.18Å; E1003-S1007 PolarHBondContact O-OG 3.02Å; I1004-S1007 VanDerWaalsContact CA-OG 3.31Å; I1004-S1007 WeakPolarHBondContact CA-OG 3.22Å; I1004-S1007 PolarHBondContact O-N 2.83Å; I1004-S1007 PolarHBondContact O-OG 3.13Å; S1007-T1009 VanDerWaalsContact C-N 3.32Å; S1007-T1009 PolarHBondContact O-N 2.93Å; S1007-Q1010 WeakPolarHBondContact O-CB 3.42Å; S1007-Q1010 PolarHBondContact O-N 2.75Å; S1007-L1011 PolarHBondContact O-N 3.35Å |
| 1008 | T | 90.5 | Very high | 85 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 173.2 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | V931 L934 V972 I1004 A1005 L1011 V1012 V1036 | V931-T1008 HydrophobicContact CG1-CG2 4.07Å; V931-T1008 HydrophobicContact CG2-CG2 4.1Å; L934-T1008 HydrophobicContact CD1-CG2 4.37Å; L934-T1008 HydrophobicContact CD2-CG2 4.35Å; V972-T1008 HydrophobicContact CG1-CG2 4.21Å; V972-T1008 HydrophobicContact CG2-CG2 4.11Å; I1004-T1008 HydrophobicContact CG2-CG2 4.44Å; I1004-T1008 WeakPolarHBondContact O-CB 3.25Å; I1004-T1008 WeakPolarHBondContact O-CG2 3.02Å; I1004-T1008 PolarHBondContact O-N 2.88Å; I1004-T1008 PolarHBondContact O-OG1 3.27Å; A1005-T1008 WeakPolarHBondContact CA-OG1 3.46Å; A1005-T1008 PolarHBondContact O-OG1 3.19Å; A1005-T1008 VanDerWaalsContact O-OG1 3.08Å; T1008-L1011 PolarHBondContact O-N 3.18Å; T1008-V1012 VanDerWaalsContact O-CG2 3.26Å; T1008-V1012 WeakPolarHBondContact O-CG2 2.85Å; T1008-V1012 PolarHBondContact O-N 3.38Å; T1008-V1036 HydrophobicContact CG2-CG1 4.38Å |
| 1009 | T | 88.6 | Confident | 83.5 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.7 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | A1005 A1006 S1007 L1011 V1012 Y1013 | A1005-T1009 VanDerWaalsContact O-CB 3.25Å; A1005-T1009 WeakPolarHBondContact O-CB 3.28Å; A1005-T1009 PolarHBondContact O-N 2.81Å; A1005-T1009 PolarHBondContact O-OG1 3.19Å; A1006-T1009 WeakPolarHBondContact O-CB 3.02Å; A1006-T1009 PolarHBondContact O-N 3.31Å; S1007-T1009 VanDerWaalsContact C-N 3.32Å; S1007-T1009 PolarHBondContact O-N 2.93Å; T1009-L1011 VanDerWaalsContact C-N 3.35Å; T1009-L1011 PolarHBondContact O-N 3.41Å; T1009-V1012 PolarHBondContact O-N 3.16Å; T1009-Y1013 HydrophobicContact CG2-CD2 3.6Å; T1009-Y1013 HydrophobicContact CG2-CE2 3.33Å; T1009-Y1013 WeakPolarHBondContact O-CD2 3.44Å; T1009-Y1013 PolarHBondContact O-N 2.91Å |
| 1010 | Q | 86 | Confident | 81.8 | Confident | 102 Ų | 102 | 50.7 Ų | 50.7 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 173.5 | -71.4 | 175.6 | 6.5 | 0 | 0 | 111.8 | A968 A1006 S1007 V1012 Y1013 A1014 | A968-Q1010 HydrophobicContact CB-CB 4.28Å; A1006-Q1010 WeakPolarHBondContact O-CG 3.41Å; A1006-Q1010 PolarHBondContact O-N 3.49Å; S1007-Q1010 WeakPolarHBondContact O-CB 3.42Å; S1007-Q1010 PolarHBondContact O-N 2.75Å; Q1010-V1012 PolarHBondContact O-N 3.43Å; Q1010-Y1013 PolarHBondContact O-N 2.91Å; Q1010-A1014 WeakPolarHBondContact O-CB 3.32Å; Q1010-A1014 PolarHBondContact O-N 3.05Å |
| 1011 | L | 88.5 | Confident | 80.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.6 | -179.5 | 60.8 | 0 | 0 | 0 | 112.1 | M883 L934 V935 L965 A968 A969 V972 S1007 T1008 T1009 A1014 T1015 | M883-L1011 HydrophobicContact CE-CD1 4.36Å; L934-L1011 HydrophobicContact CD2-CD2 3.82Å; L934-L1011 HydrophobicContact CD2-CG 4.42Å; V935-L1011 HydrophobicContact CG2-CD2 3.92Å; L965-L1011 HydrophobicContact CD1-CD1 3.88Å; A968-L1011 HydrophobicContact CB-CB 4.09Å; A968-L1011 HydrophobicContact CB-CD1 4.26Å; A969-L1011 HydrophobicContact CB-CD1 4.46Å; V972-L1011 HydrophobicContact CG2-CB 4.46Å; V972-L1011 HydrophobicContact CG2-CD2 4.35Å; S1007-L1011 PolarHBondContact O-N 3.35Å; T1008-L1011 PolarHBondContact O-N 3.18Å; T1009-L1011 VanDerWaalsContact C-N 3.35Å; T1009-L1011 PolarHBondContact O-N 3.41Å; L1011-A1014 PolarHBondContact O-N 3.22Å; L1011-T1015 WeakPolarHBondContact O-CB 3.41Å; L1011-T1015 PolarHBondContact O-N 3.24Å; L1011-T1015 PolarHBondContact O-OG1 3.13Å |
| 1012 | V | 88.2 | Confident | 78.5 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 175.5 | 173.5 | 0 | 0 | 0 | 0 | 111 | L934 T1008 T1009 Q1010 T1015 R1016 F1026 L1029 | L934-V1012 HydrophobicContact CD1-CG2 3.97Å; L934-V1012 HydrophobicContact CD2-CG2 4.21Å; L934-V1012 HydrophobicContact CG-CG2 4.34Å; T1008-V1012 VanDerWaalsContact O-CG2 3.26Å; T1008-V1012 WeakPolarHBondContact O-CG2 2.85Å; T1008-V1012 PolarHBondContact O-N 3.38Å; T1009-V1012 PolarHBondContact O-N 3.16Å; Q1010-V1012 PolarHBondContact O-N 3.43Å; V1012-T1015 PolarHBondContact O-N 3.01Å; V1012-R1016 WeakPolarHBondContact O-CB 3.42Å; V1012-R1016 PolarHBondContact O-N 3.36Å; V1012-F1026 HydrophobicContact CG1-CZ 4.5Å; V1012-L1029 HydrophobicContact CG1-CD2 4.3Å; V1012-L1029 HydrophobicContact CG2-CD1 4.34Å; V1012-L1029 HydrophobicContact CG2-CD2 4.39Å; V1012-L1029 HydrophobicContact CG2-CG 4.21Å |
| 1013 | Y | 82.6 | Confident | 77.5 | Confident | 146 Ų | 146 | 60 Ų | 60 | 57% | 0.573 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 175 | -81.4 | -62.8 | 0 | 0 | 0 | 111.8 | T1009 Q1010 T1015 R1016 V1017 | T1009-Y1013 HydrophobicContact CG2-CD2 3.6Å; T1009-Y1013 HydrophobicContact CG2-CE2 3.33Å; T1009-Y1013 WeakPolarHBondContact O-CD2 3.44Å; T1009-Y1013 PolarHBondContact O-N 2.91Å; Q1010-Y1013 PolarHBondContact O-N 2.91Å; Y1013-T1015 VanDerWaalsContact C-N 3.33Å; Y1013-T1015 PolarHBondContact O-N 3.06Å; Y1013-R1016 PolarHBondContact O-N 3.42Å; Y1013-V1017 WeakPolarHBondContact O-CG2 3.27Å |
| 1014 | A | 80.8 | Confident | 76.9 | Confident | 14 Ų | 14 | 64 Ų | 64 | 12% | 0.116 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | W961 L965 Q1010 L1011 R1016 | W961-A1014 WeakPolarHBondContact CZ2-O 3.42Å; W961-A1014 PolarHBondContact NE1-O 3.24Å; L965-A1014 HydrophobicContact CB-CB 4.35Å; L965-A1014 HydrophobicContact CD1-CB 3.83Å; Q1010-A1014 WeakPolarHBondContact O-CB 3.32Å; Q1010-A1014 PolarHBondContact O-N 3.05Å; L1011-A1014 PolarHBondContact O-N 3.22Å; A1014-R1016 VanDerWaalsContact C-N 3.34Å; A1014-R1016 PolarHBondContact O-N 2.92Å |
| 1015 | T | 80.5 | Confident | 76.1 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.2 | -32.9 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | S938 I941 L1011 V1012 Y1013 V1017 L1029 | S938-T1015 PolarHBondContact OG-OG1 3.12Å; I941-T1015 HydrophobicContact CB-CG2 4.14Å; I941-T1015 HydrophobicContact CD1-CG2 4.04Å; I941-T1015 HydrophobicContact CG2-CG2 3.75Å; L1011-T1015 WeakPolarHBondContact O-CB 3.41Å; L1011-T1015 PolarHBondContact O-N 3.24Å; L1011-T1015 PolarHBondContact O-OG1 3.13Å; V1012-T1015 PolarHBondContact O-N 3.01Å; Y1013-T1015 VanDerWaalsContact C-N 3.33Å; Y1013-T1015 PolarHBondContact O-N 3.06Å; T1015-V1017 PolarHBondContact O-N 2.96Å; T1015-L1029 HydrophobicContact CG2-CD2 3.79Å |
| 1016 | R | 74.6 | Confident | 75.7 | Confident | 136 Ų | 136 | 67.3 Ų | 67.3 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | -175.2 | -175.5 | 177.8 | 179 | -179.6 | -1.1 | 114.8 | V1012 Y1013 A1014 K1018 T1019 F1026 | V1012-R1016 WeakPolarHBondContact O-CB 3.42Å; V1012-R1016 PolarHBondContact O-N 3.36Å; Y1013-R1016 PolarHBondContact O-N 3.42Å; A1014-R1016 VanDerWaalsContact C-N 3.34Å; A1014-R1016 PolarHBondContact O-N 2.92Å; R1016-K1018 PolarHBondContact O-N 3.44Å; R1016-T1019 PolarHBondContact O-N 3.17Å; R1016-T1019 PolarHBondContact O-OG1 3.08Å; R1016-F1026 HydrophobicContact CB-CD2 4.49Å; R1016-F1026 HydrophobicContact CB-CE2 3.49Å; R1016-F1026 VanDerWaalsContact CB-CE2 3.49Å; R1016-F1026 HydrophobicContact CB-CZ 3.69Å; R1016-F1026 HydrophobicContact CG-CE1 4.18Å; R1016-F1026 HydrophobicContact CG-CE2 3.68Å; R1016-F1026 HydrophobicContact CG-CZ 3.46Å; R1016-F1026 VanDerWaalsContact CG-CZ 3.46Å |
| 1017 | V | 59 | Low | 75.5 | Confident | 99 Ų | 99 | 69.3 Ų | 69.3 | 60% | 0.6 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.1 | -159.2 | 179.1 | 0 | 0 | 0 | 0 | 113.9 | Y1013 T1015 | Y1013-V1017 WeakPolarHBondContact O-CG2 3.27Å; T1015-V1017 PolarHBondContact O-N 2.96Å |
| 1018 | K | 55.5 | Low | 75.3 | Confident | 116 Ų | 116 | 74.3 Ų | 74.3 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.4 | 13.5 | 177 | -66.3 | -168.6 | 174.5 | -175.9 | 0 | 116.4 | F945 F954 R1016 | F945-K1018 WeakPolarHBondContact CZ-O 3.2Å; F954-K1018 HydrophobicContact CD2-CD 4.27Å; F954-K1018 HydrophobicContact CE2-CB 4.13Å; F954-K1018 HydrophobicContact CE2-CD 3.37Å; F954-K1018 HydrophobicContact CE2-CG 4.37Å; F954-K1018 HydrophobicContact CZ-CB 4.16Å; F954-K1018 HydrophobicContact CZ-CD 3.95Å; R1016-K1018 PolarHBondContact O-N 3.44Å |
| 1019 | T | 59 | Low | 75.2 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -70.9 | 139.3 | 165.6 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | I941 F945 R1016 S1021 F1026 | I941-T1019 HydrophobicContact CG2-CG2 3.55Å; F945-T1019 HydrophobicContact CE2-CG2 4.46Å; F945-T1019 HydrophobicContact CZ-CG2 4.49Å; R1016-T1019 PolarHBondContact O-N 3.17Å; R1016-T1019 PolarHBondContact O-OG1 3.08Å; T1019-S1021 PolarHBondContact O-N 2.98Å; T1019-F1026 HydrophobicContact CG2-CD2 4.22Å |
| 1020 | T | 56.6 | Low | 75.1 | Confident | 107 Ų | 107 | 76.1 Ų | 76.1 | 66% | 0.656 | 38% | 0.379 | S | S | * | . | trans | -55.3 | 137.7 | 172.1 | 54 | 0 | 0 | 0 | 0 | 109 | Q1022 S1023 | T1020-Q1022 PolarHBondContact O-N 3.33Å; T1020-S1023 PolarHBondContact O-N 2.88Å | ||
| 1021 | S | 57.8 | Low | 75.3 | Confident | 125 Ų | 125 | 76.7 Ų | 76.7 | 87% | 0.874 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -2.8 | -169.1 | -171.9 | 0 | 0 | 0 | 0 | 115.2 | T1019 | T1019-S1021 PolarHBondContact O-N 2.98Š|
| 1022 | Q | 56.1 | Low | 75.4 | Confident | 177 Ų | 177 | 77.7 Ų | 77.7 | 83% | 0.827 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | 18.3 | -178.1 | -62.7 | -176 | -5.5 | 0 | 0 | 113.6 | T1020 E1024 | T1020-Q1022 PolarHBondContact O-N 3.33Å; Q1022-E1024 PolarHBondContact O-N 3.46Å |
| 1023 | S | 70.8 | Confident | 75.5 | Confident | 18 Ų | 18 | 77.8 Ų | 77.8 | 13% | 0.126 | 39% | 0.392 | C | S | . | . | trans | -62.9 | 127.2 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | T1020 M1025 F1026 N1027 | T1020-S1023 PolarHBondContact O-N 2.88Å; S1023-M1025 PolarHBondContact O-N 3.02Å; S1023-M1025 PolarHBondContact OG-N 3.25Å; S1023-F1026 PolarHBondContact O-N 2.93Å; S1023-F1026 VanDerWaalsContact O-N 3.16Å; S1023-N1027 PolarHBondContact O-N 2.95Å; S1023-N1027 VanDerWaalsContact O-N 3.14Å | ||
| 1024 | E | 79.1 | Confident | 76 | Confident | 157 Ų | 157 | 77 Ų | 77 | 73% | 0.734 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.5 | -34.5 | 173.7 | -170 | 179.7 | 172.7 | 0 | 0 | 111.6 | Q1022 N1027 K1028 | Q1022-E1024 PolarHBondContact O-N 3.46Å; E1024-N1027 WeakPolarHBondContact O-CB 3.38Å; E1024-N1027 PolarHBondContact O-N 3.22Å; E1024-K1028 PolarHBondContact O-N 3.43Å |
| 1025 | M | 74 | Confident | 76.5 | Confident | 69 Ų | 69 | 79.5 Ų | 79.5 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 176.7 | -63.5 | -60.4 | 140.8 | 0 | 0 | 111.9 | I941 S1023 K1028 L1029 | I941-M1025 HydrophobicContact CD1-CB 4.41Å; I941-M1025 HydrophobicContact CG1-CB 3.86Å; S1023-M1025 PolarHBondContact O-N 3.02Å; S1023-M1025 PolarHBondContact OG-N 3.25Å; M1025-K1028 WeakPolarHBondContact O-CB 3.42Å; M1025-K1028 PolarHBondContact O-N 3.37Å; M1025-L1029 PolarHBondContact O-N 2.98Å |
| 1026 | F | 82.1 | Confident | 77.1 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 9% | 0.092 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 174.7 | -173.3 | -97.2 | 0 | 0 | 0 | 111.9 | V1012 R1016 T1019 S1023 K1028 L1029 Q1030 | V1012-F1026 HydrophobicContact CG1-CZ 4.5Å; R1016-F1026 HydrophobicContact CB-CD2 4.49Å; R1016-F1026 HydrophobicContact CB-CE2 3.49Å; R1016-F1026 VanDerWaalsContact CB-CE2 3.49Å; R1016-F1026 HydrophobicContact CB-CZ 3.69Å; R1016-F1026 HydrophobicContact CG-CE1 4.18Å; R1016-F1026 HydrophobicContact CG-CE2 3.68Å; R1016-F1026 HydrophobicContact CG-CZ 3.46Å; R1016-F1026 VanDerWaalsContact CG-CZ 3.46Å; T1019-F1026 HydrophobicContact CG2-CD2 4.22Å; S1023-F1026 PolarHBondContact O-N 2.93Å; S1023-F1026 VanDerWaalsContact O-N 3.16Å; F1026-K1028 VanDerWaalsContact C-N 3.3Å; F1026-K1028 PolarHBondContact O-N 2.96Å; F1026-L1029 HydrophobicContact CD2-CD2 4.15Å; F1026-L1029 HydrophobicContact CE2-CD2 4.12Å; F1026-L1029 WeakPolarHBondContact O-CB 3.21Å; F1026-L1029 PolarHBondContact O-N 2.87Å; F1026-Q1030 WeakPolarHBondContact O-CB 3.48Å; F1026-Q1030 PolarHBondContact O-N 3.49Å |
| 1027 | N | 84.8 | Confident | 77.9 | Confident | 82 Ų | 82 | 75.9 Ų | 75.9 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.1 | -71.5 | -35.1 | 0 | 0 | 0 | 111.3 | S1023 E1024 Q1030 L1031 | S1023-N1027 PolarHBondContact O-N 2.95Å; S1023-N1027 VanDerWaalsContact O-N 3.14Å; E1024-N1027 WeakPolarHBondContact O-CB 3.38Å; E1024-N1027 PolarHBondContact O-N 3.22Å; N1027-Q1030 PolarHBondContact O-N 2.96Å; N1027-L1031 WeakPolarHBondContact O-CG 3.37Å; N1027-L1031 PolarHBondContact O-N 3.06Å |
| 1028 | K | 86.4 | Confident | 79.5 | Confident | 104 Ų | 104 | 76.5 Ų | 76.5 | 45% | 0.452 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.8 | -168.4 | 172.8 | 175.9 | -174.4 | 0 | 112.3 | Q937 E1024 M1025 F1026 Q1030 L1031 T1032 | Q937-K1028 HydrophobicContact CG-CG 4.42Å; Q937-K1028 VanDerWaalsContact OE1-CD 3.3Å; E1024-K1028 PolarHBondContact O-N 3.43Å; M1025-K1028 WeakPolarHBondContact O-CB 3.42Å; M1025-K1028 PolarHBondContact O-N 3.37Å; F1026-K1028 VanDerWaalsContact C-N 3.3Å; F1026-K1028 PolarHBondContact O-N 2.96Å; K1028-Q1030 VanDerWaalsContact C-N 3.34Å; K1028-Q1030 PolarHBondContact O-N 3.43Å; K1028-L1031 PolarHBondContact O-N 3.35Å; K1028-T1032 PolarHBondContact O-N 3.28Å; K1028-T1032 PolarHBondContact O-OG1 3.43Å |
| 1029 | L | 88.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 171.9 | -179.6 | 69.5 | 0 | 0 | 0 | 111.4 | L934 Q937 I941 V1012 T1015 M1025 F1026 T1032 S1033 | L934-L1029 HydrophobicContact CD2-CD1 4.34Å; L934-L1029 HydrophobicContact CG-CD1 3.99Å; Q937-L1029 HydrophobicContact CB-CB 4.29Å; Q937-L1029 HydrophobicContact CB-CD1 3.76Å; I941-L1029 HydrophobicContact CD1-CB 3.88Å; I941-L1029 HydrophobicContact CD1-CD2 3.76Å; I941-L1029 HydrophobicContact CD1-CG 4.34Å; V1012-L1029 HydrophobicContact CG1-CD2 4.3Å; V1012-L1029 HydrophobicContact CG2-CD1 4.34Å; V1012-L1029 HydrophobicContact CG2-CD2 4.39Å; V1012-L1029 HydrophobicContact CG2-CG 4.21Å; T1015-L1029 HydrophobicContact CG2-CD2 3.79Å; M1025-L1029 PolarHBondContact O-N 2.98Å; F1026-L1029 HydrophobicContact CD2-CD2 4.15Å; F1026-L1029 HydrophobicContact CE2-CD2 4.12Å; F1026-L1029 WeakPolarHBondContact O-CB 3.21Å; F1026-L1029 PolarHBondContact O-N 2.87Å; L1029-T1032 PolarHBondContact O-N 3.17Å; L1029-S1033 WeakPolarHBondContact O-CB 3.46Å; L1029-S1033 PolarHBondContact O-N 3.05Å |
| 1030 | Q | 86.7 | Confident | 82.9 | Confident | 85 Ų | 85 | 70.4 Ų | 70.4 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 179.2 | -167.8 | 179.3 | 12.7 | 0 | 0 | 112.5 | F1026 N1027 K1028 S1033 K1034 | F1026-Q1030 WeakPolarHBondContact O-CB 3.48Å; F1026-Q1030 PolarHBondContact O-N 3.49Å; N1027-Q1030 PolarHBondContact O-N 2.96Å; K1028-Q1030 VanDerWaalsContact C-N 3.34Å; K1028-Q1030 PolarHBondContact O-N 3.43Å; Q1030-S1033 PolarHBondContact O-N 2.92Å; Q1030-K1034 WeakPolarHBondContact O-CG 3.45Å; Q1030-K1034 PolarHBondContact O-N 3.49Å; Q1030-K1034 VanDerWaalsContact O-N 3.09Å |
| 1031 | L | 89.9 | Confident | 84.5 | Confident | 114 Ų | 114 | 67 Ų | 67 | 60% | 0.597 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 172.6 | -72.4 | 174.6 | 0 | 0 | 0 | 111.1 | N1027 K1028 S1033 K1034 E1035 | N1027-L1031 WeakPolarHBondContact O-CG 3.37Å; N1027-L1031 PolarHBondContact O-N 3.06Å; K1028-L1031 PolarHBondContact O-N 3.35Å; L1031-S1033 VanDerWaalsContact C-N 3.33Å; L1031-S1033 PolarHBondContact O-N 3.33Å; L1031-K1034 WeakPolarHBondContact O-CB 3.5Å; L1031-K1034 PolarHBondContact O-N 3.11Å; L1031-K1034 VanDerWaalsContact O-N 3.15Å; L1031-E1035 PolarHBondContact O-N 3.22Å |
| 1032 | T | 89.5 | Confident | 86.2 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 177.4 | -46.2 | 0 | 0 | 0 | 0 | 111.2 | D933 L934 K1028 L1029 K1034 E1035 V1036 | D933-T1032 HydrophobicContact CB-CG2 3.92Å; L934-T1032 HydrophobicContact CB-CG2 3.88Å; K1028-T1032 PolarHBondContact O-N 3.28Å; K1028-T1032 PolarHBondContact O-OG1 3.43Å; L1029-T1032 PolarHBondContact O-N 3.17Å; T1032-K1034 VanDerWaalsContact C-N 3.33Å; T1032-K1034 PolarHBondContact O-N 3.24Å; T1032-E1035 PolarHBondContact O-N 3.43Å; T1032-E1035 VanDerWaalsContact O-N 3.12Å; T1032-V1036 WeakPolarHBondContact O-CG2 3.25Å; T1032-V1036 PolarHBondContact O-N 3.38Å |
| 1033 | S | 91.6 | Very high | 87.9 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 12% | 0.119 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 173.6 | 177.8 | 0 | 0 | 0 | 0 | 113.4 | L1029 Q1030 L1031 E1035 V1036 C1037 | L1029-S1033 WeakPolarHBondContact O-CB 3.46Å; L1029-S1033 PolarHBondContact O-N 3.05Å; Q1030-S1033 PolarHBondContact O-N 2.92Å; L1031-S1033 VanDerWaalsContact C-N 3.33Å; L1031-S1033 PolarHBondContact O-N 3.33Å; S1033-E1035 VanDerWaalsContact C-N 3.35Å; S1033-V1036 PolarHBondContact O-N 3.31Å; S1033-C1037 PolarHBondContact O-N 3.42Å; S1033-C1037 VanDerWaalsContact O-N 3.14Å |
| 1034 | K | 91.6 | Very high | 88.9 | Confident | 129 Ų | 129 | 56.4 Ų | 56.4 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 173 | -72.9 | 176.8 | -179.8 | 178.3 | 0 | 111.9 | Q1030 L1031 T1032 C1037 K1038 | Q1030-K1034 WeakPolarHBondContact O-CG 3.45Å; Q1030-K1034 PolarHBondContact O-N 3.49Å; Q1030-K1034 VanDerWaalsContact O-N 3.09Å; L1031-K1034 WeakPolarHBondContact O-CB 3.5Å; L1031-K1034 PolarHBondContact O-N 3.11Å; L1031-K1034 VanDerWaalsContact O-N 3.15Å; T1032-K1034 VanDerWaalsContact C-N 3.33Å; T1032-K1034 PolarHBondContact O-N 3.24Å; K1034-C1037 PolarHBondContact O-N 2.91Å; K1034-K1038 PolarHBondContact O-N 3.19Å |
| 1035 | E | 92.9 | Very high | 89.4 | Confident | 67 Ų | 67 | 51.1 Ų | 51.1 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.3 | -38.2 | 176.7 | -162.7 | 60 | -147.9 | 0 | 0 | 111.7 | L1031 T1032 S1033 C1037 K1038 C1039 | L1031-E1035 PolarHBondContact O-N 3.22Å; T1032-E1035 PolarHBondContact O-N 3.43Å; T1032-E1035 VanDerWaalsContact O-N 3.12Å; S1033-E1035 VanDerWaalsContact C-N 3.35Å; E1035-C1037 PolarHBondContact O-N 3.47Å; E1035-K1038 WeakPolarHBondContact O-CB 3.35Å; E1035-K1038 PolarHBondContact O-N 3.04Å; E1035-K1038 VanDerWaalsContact O-N 3.16Å; E1035-K1038 IonicContact OE1-NZ 2.75Å; E1035-K1038 PolarHBondContact OE1-NZ 2.95Å; E1035-K1038 IonicContact OE2-NZ 2.87Å; E1035-K1038 PolarHBondContact OE2-NZ 3.38Å; E1035-C1039 PolarHBondContact O-N 2.96Å; E1035-C1039 PolarHBondContact O-SG 3.47Å |
| 1036 | V | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.7 | -50 | 170.9 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | L927 C930 V931 L934 T1008 T1032 S1033 K1038 C1039 T1040 | L927-V1036 HydrophobicContact CD1-CG1 4.03Å; C930-V1036 HydrophobicContact CB-CG2 3.82Å; V931-V1036 HydrophobicContact CG2-CG1 4.18Å; V931-V1036 HydrophobicContact CG2-CG2 4.24Å; L934-V1036 HydrophobicContact CB-CG2 4.4Å; L934-V1036 HydrophobicContact CD1-CG2 3.92Å; T1008-V1036 HydrophobicContact CG2-CG1 4.38Å; T1032-V1036 WeakPolarHBondContact O-CG2 3.25Å; T1032-V1036 PolarHBondContact O-N 3.38Å; S1033-V1036 PolarHBondContact O-N 3.31Å; V1036-K1038 VanDerWaalsContact C-N 3.27Å; V1036-K1038 PolarHBondContact O-N 3.38Å; V1036-C1039 PolarHBondContact O-N 3.42Å; V1036-T1040 PolarHBondContact O-N 3.18Å; V1036-T1040 PolarHBondContact O-OG1 3.44Å |
| 1037 | C | 91.2 | Very high | 90.5 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 43% | 0.432 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 176.8 | -73.3 | 0 | 0 | 0 | 0 | 113.1 | S1033 K1034 E1035 G1041 | S1033-C1037 PolarHBondContact O-N 3.42Å; S1033-C1037 VanDerWaalsContact O-N 3.14Å; K1034-C1037 PolarHBondContact O-N 2.91Å; E1035-C1037 PolarHBondContact O-N 3.47Å; C1037-G1041 PolarHBondContact O-N 2.81Å |
| 1038 | K | 92.4 | Very high | 90.7 | Very high | 111 Ų | 111 | 49 Ų | 49 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | 176.6 | 177.5 | 174.3 | 156 | -123 | 0 | 111.6 | K1034 E1035 V1036 G1041 N1042 | K1034-K1038 PolarHBondContact O-N 3.19Å; E1035-K1038 WeakPolarHBondContact O-CB 3.35Å; E1035-K1038 PolarHBondContact O-N 3.04Å; E1035-K1038 VanDerWaalsContact O-N 3.16Å; E1035-K1038 IonicContact OE1-NZ 2.75Å; E1035-K1038 PolarHBondContact OE1-NZ 2.95Å; E1035-K1038 IonicContact OE2-NZ 2.87Å; E1035-K1038 PolarHBondContact OE2-NZ 3.38Å; V1036-K1038 VanDerWaalsContact C-N 3.27Å; V1036-K1038 PolarHBondContact O-N 3.38Å; K1038-G1041 PolarHBondContact O-N 2.9Å; K1038-N1042 PolarHBondContact O-N 3.14Å |
| 1039 | C | 92.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.8 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | L927 C930 E1035 V1036 G1041 N1042 L1043 | L927-C1039 HydrophobicContact CB-CB 4.28Å; L927-C1039 HydrophobicContact CD1-CB 3.9Å; C930-C1039 PolarHBondContact SG-SG 3.32Å; E1035-C1039 PolarHBondContact O-N 2.96Å; E1035-C1039 PolarHBondContact O-SG 3.47Å; V1036-C1039 PolarHBondContact O-N 3.42Å; C1039-G1041 VanDerWaalsContact C-N 3.32Å; C1039-G1041 PolarHBondContact O-N 3.02Å; C1039-N1042 PolarHBondContact O-N 3.27Å; C1039-L1043 WeakPolarHBondContact O-CB 3.43Å; C1039-L1043 PolarHBondContact O-N 3.37Å |
| 1040 | T | 92.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -45 | 172.3 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | L927 S1001 A1005 V1036 L1043 I1044 | L927-T1040 WeakPolarHBondContact CD1-OG1 3.39Å; S1001-T1040 VanDerWaalsContact O-CG2 3.3Å; S1001-T1040 WeakPolarHBondContact O-CG2 3.37Å; A1005-T1040 HydrophobicContact CB-CG2 4.12Å; V1036-T1040 PolarHBondContact O-N 3.18Å; V1036-T1040 PolarHBondContact O-OG1 3.44Å; T1040-L1043 PolarHBondContact O-N 3.04Å; T1040-I1044 HydrophobicContact CG2-CD1 3.81Å; T1040-I1044 HydrophobicContact CG2-CG1 4.45Å; T1040-I1044 VanDerWaalsContact O-CG1 3.24Å; T1040-I1044 WeakPolarHBondContact O-CG1 2.98Å; T1040-I1044 PolarHBondContact O-N 3.35Å |
| 1041 | G | 91.7 | Very high | 90.2 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1037 K1038 C1039 I1044 A1045 | C1037-G1041 PolarHBondContact O-N 2.81Å; K1038-G1041 PolarHBondContact O-N 2.9Å; C1039-G1041 VanDerWaalsContact C-N 3.32Å; C1039-G1041 PolarHBondContact O-N 3.02Å; G1041-I1044 PolarHBondContact O-N 3.01Å; G1041-A1045 WeakPolarHBondContact O-CB 3.45Å; G1041-A1045 PolarHBondContact O-N 3.44Å |
| 1042 | N | 92.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.2 | -71.3 | -12.1 | 0 | 0 | 0 | 111.7 | K1038 C1039 A1045 C1046 | K1038-N1042 PolarHBondContact O-N 3.14Å; C1039-N1042 PolarHBondContact O-N 3.27Å; N1042-A1045 PolarHBondContact O-N 3.12Å; N1042-C1046 PolarHBondContact O-N 3.04Å |
| 1043 | L | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 176.8 | 175.7 | 60.6 | 0 | 0 | 0 | 111.4 | I920 C923 L927 M979 L997 C1039 T1040 A1045 C1046 V1047 | I920-L1043 HydrophobicContact CG2-CD1 4.24Å; C923-L1043 HydrophobicContact CB-CB 4.13Å; C923-L1043 HydrophobicContact CB-CD1 3.64Å; C923-L1043 HydrophobicContact CB-CG 4.47Å; L927-L1043 HydrophobicContact CD2-CD2 3.97Å; M979-L1043 HydrophobicContact CE-CD2 3.43Å; M979-L1043 VanDerWaalsContact CE-CD2 3.43Å; L997-L1043 HydrophobicContact CD2-CD1 4.22Å; C1039-L1043 WeakPolarHBondContact O-CB 3.43Å; C1039-L1043 PolarHBondContact O-N 3.37Å; T1040-L1043 PolarHBondContact O-N 3.04Å; L1043-A1045 VanDerWaalsContact C-N 3.27Å; L1043-A1045 PolarHBondContact O-N 3.25Å; L1043-C1046 WeakPolarHBondContact O-CB 3.29Å; L1043-C1046 PolarHBondContact O-N 2.91Å; L1043-C1046 VanDerWaalsContact O-N 3.12Å; L1043-V1047 HydrophobicContact CD1-CG2 3.93Å; L1043-V1047 HydrophobicContact CG-CG2 4.38Å; L1043-V1047 WeakPolarHBondContact O-CG2 3.49Å; L1043-V1047 PolarHBondContact O-N 3.06Å |
| 1044 | I | 91.9 | Very high | 87.7 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 178.1 | -68.1 | 169.8 | 0 | 0 | 0 | 110.9 | I998 S1001 Q1002 T1040 G1041 K1048 | I998-I1044 HydrophobicContact CG2-CG1 4.22Å; I998-I1044 HydrophobicContact CG2-CG2 4.22Å; S1001-I1044 VanDerWaalsContact OG-CG1 3.31Å; S1001-I1044 WeakPolarHBondContact OG-CG1 3.22Å; Q1002-I1044 HydrophobicContact CG-CD1 3.85Å; T1040-I1044 HydrophobicContact CG2-CD1 3.81Å; T1040-I1044 HydrophobicContact CG2-CG1 4.45Å; T1040-I1044 VanDerWaalsContact O-CG1 3.24Å; T1040-I1044 WeakPolarHBondContact O-CG1 2.98Å; T1040-I1044 PolarHBondContact O-N 3.35Å; G1041-I1044 PolarHBondContact O-N 3.01Å; I1044-K1048 HydrophobicContact CG2-CD 4.11Å; I1044-K1048 HydrophobicContact CG2-CG 4.46Å; I1044-K1048 WeakPolarHBondContact O-CB 3.3Å; I1044-K1048 VanDerWaalsContact O-CG 3.29Å; I1044-K1048 WeakPolarHBondContact O-CG 3.31Å; I1044-K1048 PolarHBondContact O-N 2.75Å |
| 1045 | A | 89.3 | Confident | 86.3 | Confident | 46 Ų | 46 | 56.9 Ų | 56.9 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | G1041 N1042 L1043 K1049 | G1041-A1045 WeakPolarHBondContact O-CB 3.45Å; G1041-A1045 PolarHBondContact O-N 3.44Å; N1042-A1045 PolarHBondContact O-N 3.12Å; L1043-A1045 VanDerWaalsContact C-N 3.27Å; L1043-A1045 PolarHBondContact O-N 3.25Å; A1045-K1049 WeakPolarHBondContact O-CG 3.31Å; A1045-K1049 PolarHBondContact O-N 3.17Å; A1045-K1049 VanDerWaalsContact O-N 3.08Å |
| 1046 | C | 88.9 | Confident | 84.3 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 11% | 0.108 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.6 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | L919 N1042 L1043 K1048 K1049 A1050 | L919-C1046 VanDerWaalsContact CD2-SG 3.58Å; N1042-C1046 PolarHBondContact O-N 3.04Å; L1043-C1046 WeakPolarHBondContact O-CB 3.29Å; L1043-C1046 PolarHBondContact O-N 2.91Å; L1043-C1046 VanDerWaalsContact O-N 3.12Å; C1046-K1048 PolarHBondContact O-N 3.45Å; C1046-K1049 PolarHBondContact O-N 3.27Å; C1046-A1050 PolarHBondContact O-N 3.27Å |
| 1047 | V | 89.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 179.8 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | I920 L994 L997 I998 L1043 A1050 I1051 | I920-V1047 HydrophobicContact CD1-CG2 4.5Å; I920-V1047 HydrophobicContact CG1-CG2 4.38Å; I920-V1047 HydrophobicContact CG2-CG2 4.17Å; L994-V1047 HydrophobicContact CB-CG1 4.06Å; L994-V1047 WeakPolarHBondContact O-CG1 3.25Å; L997-V1047 HydrophobicContact CB-CG2 4.39Å; L997-V1047 HydrophobicContact CD2-CG2 3.69Å; L997-V1047 HydrophobicContact CG-CG2 4.2Å; I998-V1047 HydrophobicContact CD1-CG1 4.01Å; I998-V1047 HydrophobicContact CG1-CB 4.11Å; I998-V1047 HydrophobicContact CG1-CG1 3.69Å; L1043-V1047 HydrophobicContact CD1-CG2 3.93Å; L1043-V1047 HydrophobicContact CG-CG2 4.38Å; L1043-V1047 WeakPolarHBondContact O-CG2 3.49Å; L1043-V1047 PolarHBondContact O-N 3.06Å; V1047-A1050 WeakPolarHBondContact O-CB 3.37Å; V1047-A1050 PolarHBondContact O-N 3.45Å; V1047-I1051 HydrophobicContact CG1-CD1 3.88Å; V1047-I1051 HydrophobicContact CG1-CG1 4.45Å; V1047-I1051 VanDerWaalsContact O-CG1 3.3Å; V1047-I1051 WeakPolarHBondContact O-CG1 3.49Å; V1047-I1051 PolarHBondContact O-N 3.44Å |
| 1048 | K | 88.5 | Confident | 80.2 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 48% | 0.478 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.1 | -77.3 | 179.4 | 177 | -174.9 | 0 | 112.4 | I998 I1044 C1046 A1050 I1051 E1052 | I998-K1048 HydrophobicContact CD1-CG 4.04Å; I1044-K1048 HydrophobicContact CG2-CD 4.11Å; I1044-K1048 HydrophobicContact CG2-CG 4.46Å; I1044-K1048 WeakPolarHBondContact O-CB 3.3Å; I1044-K1048 VanDerWaalsContact O-CG 3.29Å; I1044-K1048 WeakPolarHBondContact O-CG 3.31Å; I1044-K1048 PolarHBondContact O-N 2.75Å; C1046-K1048 PolarHBondContact O-N 3.45Å; K1048-A1050 VanDerWaalsContact C-N 3.28Å; K1048-A1050 PolarHBondContact O-N 3.48Å; K1048-I1051 PolarHBondContact O-N 2.82Å; K1048-E1052 WeakPolarHBondContact O-CG 3.43Å; K1048-E1052 PolarHBondContact O-N 3.25Å |
| 1049 | K | 85.1 | Confident | 78.7 | Confident | 149 Ų | 149 | 73.9 Ų | 73.9 | 65% | 0.648 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.1 | -39.1 | 174.6 | -74.2 | 177.5 | -179.6 | -179.2 | 0 | 112 | A1045 C1046 E1052 A1053 | A1045-K1049 WeakPolarHBondContact O-CG 3.31Å; A1045-K1049 PolarHBondContact O-N 3.17Å; A1045-K1049 VanDerWaalsContact O-N 3.08Å; C1046-K1049 PolarHBondContact O-N 3.27Å; K1049-E1052 PolarHBondContact O-N 2.93Å; K1049-A1053 WeakPolarHBondContact O-CB 3.38Å; K1049-A1053 PolarHBondContact O-N 3.23Å |
| 1050 | A | 82.8 | Confident | 77.3 | Confident | 6 Ų | 6 | 78.4 Ų | 78.4 | 5% | 0.05 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V916 I920 L994 C1046 V1047 K1048 A1053 K1054 | V916-A1050 HydrophobicContact CG1-CB 3.33Å; I920-A1050 HydrophobicContact CD1-CB 3.8Å; L994-A1050 HydrophobicContact CD1-CB 4.15Å; C1046-A1050 PolarHBondContact O-N 3.27Å; V1047-A1050 WeakPolarHBondContact O-CB 3.37Å; V1047-A1050 PolarHBondContact O-N 3.45Å; K1048-A1050 VanDerWaalsContact C-N 3.28Å; K1048-A1050 PolarHBondContact O-N 3.48Å; A1050-A1053 PolarHBondContact O-N 3.45Å; A1050-K1054 PolarHBondContact O-N 3.5Å; A1050-K1054 VanDerWaalsContact O-N 3.13Å |
| 1051 | I | 83.3 | Confident | 76.2 | Confident | 29 Ų | 29 | 83.3 Ų | 83.3 | 15% | 0.149 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66 | -46.1 | 175 | -67.4 | 162.9 | 0 | 0 | 0 | 110.5 | L994 E995 I998 V1047 K1048 A1053 K1054 H1055 | L994-I1051 HydrophobicContact CB-CD1 4Å; L994-I1051 HydrophobicContact CB-CG1 3.73Å; L994-I1051 HydrophobicContact CD1-CG1 3.89Å; L994-I1051 HydrophobicContact CG-CG1 4.47Å; E995-I1051 HydrophobicContact CG-CD1 3.89Å; I998-I1051 HydrophobicContact CD1-CD1 4.04Å; V1047-I1051 HydrophobicContact CG1-CD1 3.88Å; V1047-I1051 HydrophobicContact CG1-CG1 4.45Å; V1047-I1051 VanDerWaalsContact O-CG1 3.3Å; V1047-I1051 WeakPolarHBondContact O-CG1 3.49Å; V1047-I1051 PolarHBondContact O-N 3.44Å; K1048-I1051 PolarHBondContact O-N 2.82Å; I1051-A1053 VanDerWaalsContact C-N 3.3Å; I1051-A1053 PolarHBondContact O-N 3.03Å; I1051-K1054 PolarHBondContact O-N 3.37Å; I1051-H1055 PolarHBondContact O-CD2 3.28Å; I1051-H1055 PolarHBondContact O-N 3Å; I1051-H1055 VanDerWaalsContact O-N 3.16Å |
| 1052 | E | 77.9 | Confident | 75.4 | Confident | 130 Ų | 130 | 86.4 Ų | 86.4 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.6 | -40.9 | 176.6 | -73.6 | 170.2 | -170.5 | 0 | 0 | 111.4 | K1048 K1049 K1054 H1055 | K1048-E1052 WeakPolarHBondContact O-CG 3.43Å; K1048-E1052 PolarHBondContact O-N 3.25Å; K1049-E1052 PolarHBondContact O-N 2.93Å; E1052-K1054 PolarHBondContact O-N 2.79Å; E1052-H1055 PolarHBondContact O-N 3.42Å |
| 1053 | A | 72.8 | Confident | 74.5 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 49% | 0.488 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1049 A1050 I1051 H1055 | K1049-A1053 WeakPolarHBondContact O-CB 3.38Å; K1049-A1053 PolarHBondContact O-N 3.23Å; A1050-A1053 PolarHBondContact O-N 3.45Å; I1051-A1053 VanDerWaalsContact C-N 3.3Å; I1051-A1053 PolarHBondContact O-N 3.03Å; A1053-H1055 VanDerWaalsContact C-N 3.32Å |
| 1054 | K | 69.1 | Low | 73.8 | Confident | 124 Ų | 124 | 89.6 Ų | 89.6 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.2 | -27 | 174.5 | -80.1 | -172.3 | 177.1 | -176.7 | 0 | 113.4 | L994 A1050 I1051 E1052 | L994-K1054 HydrophobicContact CD1-CD 4.17Å; A1050-K1054 PolarHBondContact O-N 3.5Å; A1050-K1054 VanDerWaalsContact O-N 3.13Å; I1051-K1054 PolarHBondContact O-N 3.37Å; E1052-K1054 PolarHBondContact O-N 2.79Å |
| 1055 | H | 60.8 | Low | 73.4 | Confident | 141 Ų | 141 | 92.3 Ų | 92.3 | 65% | 0.653 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 13.8 | -175.6 | -84.6 | -60 | 0 | 0 | 0 | 114.6 | I1051 E1052 A1053 E1057 | I1051-H1055 PolarHBondContact O-CD2 3.28Å; I1051-H1055 PolarHBondContact O-N 3Å; I1051-H1055 VanDerWaalsContact O-N 3.16Å; E1052-H1055 PolarHBondContact O-N 3.42Å; A1053-H1055 VanDerWaalsContact C-N 3.32Å; H1055-E1057 PolarHBondContact O-N 3.33Å |
| 1056 | I | 52 | Low | 73 | Confident | 126 Ų | 126 | 96.2 Ų | 96.2 | 65% | 0.646 | 50% | 0.496 | S | S | * | . | trans | -78.4 | 69.3 | 166.9 | -47.4 | 177 | 0 | 0 | 0 | 108.3 | E1058 | I1056-E1058 HydrophobicContact CG2-CG 4.48Å; I1056-E1058 PolarHBondContact O-N 3.47Å | ||
| 1057 | E | 51 | Low | 72.7 | Confident | 162 Ų | 162 | 100.9 Ų | 100.9 | 76% | 0.757 | 52% | 0.524 | S | S | * | . | trans | -69 | 112.5 | 147.8 | -76.5 | -178.3 | 175 | 0 | 0 | 105 | H1055 L1059 | H1055-E1057 PolarHBondContact O-N 3.33Å; E1057-L1059 PolarHBondContact O-N 3.19Å | ||
| 1058 | E | 47.5 | Very low | 72.4 | Confident | 178 Ų | 178 | 105.6 Ų | 105.6 | 83% | 0.832 | 55% | 0.546 | S | S | * | . | trans | -55.8 | 107.4 | 170.4 | -77.8 | -174 | 157.6 | 0 | 0 | 107.8 | I1056 D1060 | I1056-E1058 HydrophobicContact CG2-CG 4.48Å; I1056-E1058 PolarHBondContact O-N 3.47Å; E1058-D1060 PolarHBondContact O-N 3.09Å | ||
| 1059 | L | 60.4 | Low | 72.1 | Confident | 133 Ų | 133 | 102.2 Ų | 102.2 | 70% | 0.696 | 54% | 0.539 | S | S | * | . | trans | -72.2 | 72.9 | 178.3 | -69.9 | 161.4 | 0 | 0 | 0 | 108.7 | E1057 F1061 | E1057-L1059 PolarHBondContact O-N 3.19Å; L1059-F1061 HydrophobicContact CB-CD2 4.29Å; L1059-F1061 HydrophobicContact CB-CE2 3.66Å; L1059-F1061 HydrophobicContact CB-CZ 4.02Å; L1059-F1061 HydrophobicContact CD2-CE2 4.26Å; L1059-F1061 HydrophobicContact CD2-CZ 3.78Å; L1059-F1061 HydrophobicContact CG-CE2 4.4Å; L1059-F1061 HydrophobicContact CG-CZ 4.4Å; L1059-F1061 PolarHBondContact O-N 3.45Å | ||
| 1060 | D | 62.3 | Low | 72 | Confident | 97 Ų | 97 | 101.2 Ų | 101.2 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | trans | -82.9 | 91.2 | 176.2 | -174.7 | 18 | 0 | 0 | 0 | 110.8 | E1058 S1062 | E1058-D1060 PolarHBondContact O-N 3.09Å; D1060-S1062 VanDerWaalsContact C-N 3.29Å; D1060-S1062 WeakPolarHBondContact OD1-CB 3.33Å; D1060-S1062 PolarHBondContact OD1-N 3.36Å; D1060-S1062 PolarHBondContact OD1-OG 3.49Å; D1060-S1062 PolarHBondContact OD2-OG 3.38Å | ||
| 1061 | F | 70.8 | Confident | 72.1 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 48% | 0.482 | 57% | 0.565 | S | S | . | * | trans | -85 | 1 | 172.3 | -56.5 | -68.1 | 0 | 0 | 0 | 113.2 | L1059 S1063 L1064 M1072 | L1059-F1061 HydrophobicContact CB-CD2 4.29Å; L1059-F1061 HydrophobicContact CB-CE2 3.66Å; L1059-F1061 HydrophobicContact CB-CZ 4.02Å; L1059-F1061 HydrophobicContact CD2-CE2 4.26Å; L1059-F1061 HydrophobicContact CD2-CZ 3.78Å; L1059-F1061 HydrophobicContact CG-CE2 4.4Å; L1059-F1061 HydrophobicContact CG-CZ 4.4Å; L1059-F1061 PolarHBondContact O-N 3.45Å; F1061-S1063 VanDerWaalsContact C-N 3.3Å; F1061-S1063 PolarHBondContact O-N 2.99Å; F1061-L1064 HydrophobicContact CB-CD1 4.41Å; F1061-L1064 HydrophobicContact CD1-CD1 3.97Å; F1061-L1064 PolarHBondContact O-N 2.9Å; F1061-M1072 HydrophobicContact CD1-SD 4.25Å; F1061-M1072 HydrophobicContact CE1-SD 4.1Å | ||
| 1062 | S | 74.7 | Confident | 72.2 | Confident | 102 Ų | 102 | 111.2 Ų | 111.2 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -24.9 | -170.6 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | D1060 | D1060-S1062 VanDerWaalsContact C-N 3.29Å; D1060-S1062 WeakPolarHBondContact OD1-CB 3.33Å; D1060-S1062 PolarHBondContact OD1-N 3.36Å; D1060-S1062 PolarHBondContact OD1-OG 3.49Å; D1060-S1062 PolarHBondContact OD2-OG 3.38Å |
| 1063 | S | 72 | Confident | 72.6 | Confident | 91 Ų | 91 | 110.2 Ų | 110.2 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 0.4 | -178.5 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | F1061 | F1061-S1063 VanDerWaalsContact C-N 3.3Å; F1061-S1063 PolarHBondContact O-N 2.99Å |
| 1064 | L | 79.2 | Confident | 73.2 | Confident | 49 Ų | 49 | 111.4 Ų | 111.4 | 26% | 0.257 | 57% | 0.57 | S | S | . | * | trans | -89.3 | 131.4 | -174.7 | -61.8 | 174.9 | 0 | 0 | 0 | 112.7 | F1061 Q1068 A1069 M1072 | F1061-L1064 HydrophobicContact CB-CD1 4.41Å; F1061-L1064 HydrophobicContact CD1-CD1 3.97Å; F1061-L1064 PolarHBondContact O-N 2.9Å; L1064-Q1068 HydrophobicContact CB-CB 4.44Å; L1064-Q1068 HydrophobicContact CD2-CB 4.21Å; L1064-A1069 HydrophobicContact CB-CB 4.34Å; L1064-M1072 HydrophobicContact CD1-CE 3.68Å; L1064-M1072 HydrophobicContact CD1-SD 3.6Å; L1064-M1072 HydrophobicContact CD2-CE 3.93Å; L1064-M1072 HydrophobicContact CG-CE 4.48Å | ||
| 1065 | T | 83 | Confident | 74.1 | Confident | 80 Ų | 80 | 110.8 Ų | 110.8 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | trans | -67.9 | 154 | 166.6 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | T1067 Q1068 A1069 | T1065-T1067 PolarHBondContact O-N 3.28Å; T1065-T1067 VanDerWaalsContact O-N 3.07Å; T1065-Q1068 WeakPolarHBondContact O-CB 3.41Å; T1065-Q1068 PolarHBondContact O-N 2.96Å; T1065-Q1068 VanDerWaalsContact OG1-CG 3.27Å; T1065-Q1068 WeakPolarHBondContact OG1-CG 3.42Å; T1065-Q1068 PolarHBondContact OG1-N 2.9Å; T1065-Q1068 PolarHBondContact OG1-OE1 2.92Å; T1065-A1069 PolarHBondContact O-N 3.42Å | ||
| 1066 | L | 81.4 | Confident | 75.3 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -51 | -38.3 | -179.1 | 179 | 63.3 | 0 | 0 | 0 | 113.3 | K1070 | L1066-K1070 WeakPolarHBondContact O-CG 3.38Å; L1066-K1070 PolarHBondContact O-N 2.87Å |
| 1067 | T | 82.8 | Confident | 76.9 | Confident | 114 Ų | 114 | 107 Ų | 107 | 70% | 0.699 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.6 | -41.1 | 178.4 | -45.8 | 0 | 0 | 0 | 0 | 111.9 | T1065 K1070 R1071 | T1065-T1067 PolarHBondContact O-N 3.28Å; T1065-T1067 VanDerWaalsContact O-N 3.07Å; T1067-K1070 PolarHBondContact O-N 3.48Å; T1067-R1071 WeakPolarHBondContact O-CB 3.27Å; T1067-R1071 PolarHBondContact O-N 3.34Å |
| 1068 | Q | 83.2 | Confident | 78.6 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 174.4 | -73 | 165.5 | -33.1 | 0 | 0 | 111.2 | L1064 T1065 R1071 M1072 | L1064-Q1068 HydrophobicContact CB-CB 4.44Å; L1064-Q1068 HydrophobicContact CD2-CB 4.21Å; T1065-Q1068 WeakPolarHBondContact O-CB 3.41Å; T1065-Q1068 PolarHBondContact O-N 2.96Å; T1065-Q1068 VanDerWaalsContact OG1-CG 3.27Å; T1065-Q1068 WeakPolarHBondContact OG1-CG 3.42Å; T1065-Q1068 PolarHBondContact OG1-N 2.9Å; T1065-Q1068 PolarHBondContact OG1-OE1 2.92Å; Q1068-R1071 PolarHBondContact O-N 3.12Å; Q1068-M1072 VanDerWaalsContact O-CB 3.32Å; Q1068-M1072 WeakPolarHBondContact O-CB 3.4Å; Q1068-M1072 PolarHBondContact O-N 3.37Å |
| 1069 | A | 81.6 | Confident | 80.6 | Confident | 40 Ų | 40 | 99.2 Ų | 99.2 | 33% | 0.331 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1064 T1065 M1072 E1073 | L1064-A1069 HydrophobicContact CB-CB 4.34Å; T1065-A1069 PolarHBondContact O-N 3.42Å; A1069-M1072 PolarHBondContact O-N 2.94Å; A1069-E1073 WeakPolarHBondContact O-CB 3.39Å; A1069-E1073 PolarHBondContact O-N 2.99Å |
| 1070 | K | 83.5 | Confident | 81.9 | Confident | 127 Ų | 127 | 97 Ų | 97 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -40.4 | 175.3 | -76.8 | -176.6 | 176.3 | -174.5 | 0 | 113.1 | L1066 T1067 E1073 V1074 | L1066-K1070 WeakPolarHBondContact O-CG 3.38Å; L1066-K1070 PolarHBondContact O-N 2.87Å; T1067-K1070 PolarHBondContact O-N 3.48Å; K1070-E1073 PolarHBondContact O-N 3.02Å; K1070-V1074 WeakPolarHBondContact O-CG2 3.45Å; K1070-V1074 PolarHBondContact O-N 2.94Å; K1070-V1074 VanDerWaalsContact O-N 3.13Å |
| 1071 | R | 85.6 | Confident | 83 | Confident | 179 Ų | 179 | 97.3 Ų | 97.3 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -46.9 | 176.5 | -170.4 | -176.4 | -165.7 | 156.9 | 10.3 | 110.7 | T1067 Q1068 E1073 V1074 E1075 | T1067-R1071 WeakPolarHBondContact O-CB 3.27Å; T1067-R1071 PolarHBondContact O-N 3.34Å; Q1068-R1071 PolarHBondContact O-N 3.12Å; R1071-E1073 VanDerWaalsContact C-N 3.33Å; R1071-E1073 PolarHBondContact O-N 3.33Å; R1071-V1074 PolarHBondContact O-N 3.49Å; R1071-E1075 WeakPolarHBondContact CG-OE1 3.33Å; R1071-E1075 IonicContact NE-OE1 3.53Å; R1071-E1075 PolarHBondContact NE-OE1 2.94Å; R1071-E1075 WeakPolarHBondContact O-CG 3.28Å; R1071-E1075 PolarHBondContact O-N 3.37Å |
| 1072 | M | 84.4 | Confident | 83.8 | Confident | 66 Ų | 66 | 96.9 Ų | 96.9 | 33% | 0.325 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 176.8 | -170.7 | 180 | -71.7 | 0 | 0 | 111.8 | F1061 L1064 Q1068 A1069 V1074 E1075 L1076 | F1061-M1072 HydrophobicContact CD1-SD 4.25Å; F1061-M1072 HydrophobicContact CE1-SD 4.1Å; L1064-M1072 HydrophobicContact CD1-CE 3.68Å; L1064-M1072 HydrophobicContact CD1-SD 3.6Å; L1064-M1072 HydrophobicContact CD2-CE 3.93Å; L1064-M1072 HydrophobicContact CG-CE 4.48Å; Q1068-M1072 VanDerWaalsContact O-CB 3.32Å; Q1068-M1072 WeakPolarHBondContact O-CB 3.4Å; Q1068-M1072 PolarHBondContact O-N 3.37Å; A1069-M1072 PolarHBondContact O-N 2.94Å; M1072-V1074 PolarHBondContact O-N 2.96Å; M1072-E1075 PolarHBondContact O-N 3.41Å; M1072-L1076 HydrophobicContact CG-CD1 4.2Å; M1072-L1076 HydrophobicContact CG-CG 4.39Å; M1072-L1076 WeakPolarHBondContact O-CB 3.37Å; M1072-L1076 VanDerWaalsContact O-CG 3.26Å; M1072-L1076 WeakPolarHBondContact O-CG 3.39Å; M1072-L1076 PolarHBondContact O-N 3.21Å |
| 1073 | E | 85.8 | Confident | 84.6 | Confident | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 173.8 | -175.1 | -172.8 | 170.4 | 0 | 0 | 111.4 | A1069 K1070 R1071 L1076 Q1077 | A1069-E1073 WeakPolarHBondContact O-CB 3.39Å; A1069-E1073 PolarHBondContact O-N 2.99Å; K1070-E1073 PolarHBondContact O-N 3.02Å; R1071-E1073 VanDerWaalsContact C-N 3.33Å; R1071-E1073 PolarHBondContact O-N 3.33Å; E1073-L1076 PolarHBondContact O-N 2.94Å; E1073-Q1077 WeakPolarHBondContact O-CB 3.4Å; E1073-Q1077 VanDerWaalsContact O-CG 3.31Å; E1073-Q1077 WeakPolarHBondContact O-CG 3.3Å; E1073-Q1077 PolarHBondContact O-N 2.95Å; E1073-Q1077 PolarHBondContact OE1-NE2 3.11Å |
| 1074 | V | 86.8 | Confident | 85.2 | Confident | 85 Ų | 85 | 96.1 Ų | 96.1 | 52% | 0.515 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | K1070 R1071 M1072 L1076 Q1077 V1078 | K1070-V1074 WeakPolarHBondContact O-CG2 3.45Å; K1070-V1074 PolarHBondContact O-N 2.94Å; K1070-V1074 VanDerWaalsContact O-N 3.13Å; R1071-V1074 PolarHBondContact O-N 3.49Å; M1072-V1074 PolarHBondContact O-N 2.96Å; V1074-L1076 PolarHBondContact O-N 3.43Å; V1074-Q1077 PolarHBondContact O-N 3.4Å; V1074-V1078 WeakPolarHBondContact O-CG2 3.39Å; V1074-V1078 PolarHBondContact O-N 3.34Å |
| 1075 | E | 87.8 | Confident | 85.5 | Confident | 110 Ų | 110 | 97.1 Ų | 97.1 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 177 | -73.4 | 169.5 | -174 | 0 | 0 | 112 | R1071 M1072 V1078 K1079 | R1071-E1075 WeakPolarHBondContact CG-OE1 3.33Å; R1071-E1075 IonicContact NE-OE1 3.53Å; R1071-E1075 PolarHBondContact NE-OE1 2.94Å; R1071-E1075 WeakPolarHBondContact O-CG 3.28Å; R1071-E1075 PolarHBondContact O-N 3.37Å; M1072-E1075 PolarHBondContact O-N 3.41Å; E1075-V1078 PolarHBondContact O-N 2.98Å; E1075-K1079 WeakPolarHBondContact O-CB 3.42Å; E1075-K1079 PolarHBondContact O-N 2.87Å |
| 1076 | L | 85.4 | Confident | 85.7 | Confident | 91 Ų | 91 | 96.3 Ų | 96.3 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 174.5 | -72 | 173.1 | 0 | 0 | 0 | 112 | M1072 E1073 V1074 K1079 I1080 | M1072-L1076 HydrophobicContact CG-CD1 4.2Å; M1072-L1076 HydrophobicContact CG-CG 4.39Å; M1072-L1076 WeakPolarHBondContact O-CB 3.37Å; M1072-L1076 VanDerWaalsContact O-CG 3.26Å; M1072-L1076 WeakPolarHBondContact O-CG 3.39Å; M1072-L1076 PolarHBondContact O-N 3.21Å; E1073-L1076 PolarHBondContact O-N 2.94Å; V1074-L1076 PolarHBondContact O-N 3.43Å; L1076-K1079 PolarHBondContact O-N 3.46Å; L1076-I1080 VanDerWaalsContact O-CG1 3.27Å; L1076-I1080 WeakPolarHBondContact O-CG1 3.47Å; L1076-I1080 PolarHBondContact O-N 2.98Å |
| 1077 | Q | 85.1 | Confident | 86 | Confident | 97 Ų | 97 | 94.4 Ų | 94.4 | 45% | 0.453 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.1 | -75.4 | 177.8 | 14.3 | 0 | 0 | 111.9 | E1073 V1074 K1079 I1080 I1081 | E1073-Q1077 WeakPolarHBondContact O-CB 3.4Å; E1073-Q1077 VanDerWaalsContact O-CG 3.31Å; E1073-Q1077 WeakPolarHBondContact O-CG 3.3Å; E1073-Q1077 PolarHBondContact O-N 2.95Å; E1073-Q1077 PolarHBondContact OE1-NE2 3.11Å; V1074-Q1077 PolarHBondContact O-N 3.4Å; Q1077-K1079 VanDerWaalsContact C-N 3.3Å; Q1077-K1079 PolarHBondContact O-N 3.37Å; Q1077-I1080 PolarHBondContact O-N 2.86Å; Q1077-I1081 WeakPolarHBondContact O-CG1 3.34Å; Q1077-I1081 PolarHBondContact O-N 3.29Å; Q1077-I1081 VanDerWaalsContact O-N 3.1Å |
| 1078 | V | 88.1 | Confident | 85.9 | Confident | 72 Ų | 72 | 92.3 Ų | 92.3 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 172.8 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | V1074 E1075 I1080 I1081 E1082 | V1074-V1078 WeakPolarHBondContact O-CG2 3.39Å; V1074-V1078 PolarHBondContact O-N 3.34Å; E1075-V1078 PolarHBondContact O-N 2.98Å; V1078-I1080 VanDerWaalsContact C-N 3.32Å; V1078-I1080 PolarHBondContact O-N 2.85Å; V1078-I1081 PolarHBondContact O-N 3.13Å; V1078-I1081 VanDerWaalsContact O-N 3.15Å; V1078-E1082 HydrophobicContact CG1-CG 4.48Å; V1078-E1082 WeakPolarHBondContact O-CG 3.48Å; V1078-E1082 PolarHBondContact O-N 2.84Å |
| 1079 | K | 88.8 | Confident | 86.1 | Confident | 104 Ų | 104 | 91.1 Ų | 91.1 | 45% | 0.452 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 179.3 | -165.5 | 56.8 | 174.3 | -179.1 | 0 | 113.1 | E1075 L1076 Q1077 E1082 L1083 | E1075-K1079 WeakPolarHBondContact O-CB 3.42Å; E1075-K1079 PolarHBondContact O-N 2.87Å; L1076-K1079 PolarHBondContact O-N 3.46Å; Q1077-K1079 VanDerWaalsContact C-N 3.3Å; Q1077-K1079 PolarHBondContact O-N 3.37Å; K1079-E1082 VanDerWaalsContact CD-OE2 3.29Å; K1079-E1082 WeakPolarHBondContact CD-OE2 3.48Å; K1079-E1082 IonicContact NZ-OE2 2.86Å; K1079-E1082 PolarHBondContact NZ-OE2 3.4Å; K1079-E1082 PolarHBondContact O-N 3.35Å; K1079-L1083 HydrophobicContact CG-CD1 4.23Å; K1079-L1083 WeakPolarHBondContact O-CB 3.45Å; K1079-L1083 VanDerWaalsContact O-CG 3.27Å; K1079-L1083 WeakPolarHBondContact O-CG 3.43Å; K1079-L1083 PolarHBondContact O-N 3.14Å |
| 1080 | I | 88.4 | Confident | 86.4 | Confident | 88 Ų | 88 | 93.7 Ų | 93.7 | 45% | 0.451 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 173.4 | -71.8 | 164.1 | 0 | 0 | 0 | 110.3 | L1076 Q1077 V1078 E1082 L1083 E1084 | L1076-I1080 VanDerWaalsContact O-CG1 3.27Å; L1076-I1080 WeakPolarHBondContact O-CG1 3.47Å; L1076-I1080 PolarHBondContact O-N 2.98Å; Q1077-I1080 PolarHBondContact O-N 2.86Å; V1078-I1080 VanDerWaalsContact C-N 3.32Å; V1078-I1080 PolarHBondContact O-N 2.85Å; I1080-E1082 PolarHBondContact O-N 3.33Å; I1080-L1083 PolarHBondContact O-N 2.94Å; I1080-E1084 HydrophobicContact CG2-CG 4.27Å; I1080-E1084 WeakPolarHBondContact O-CB 3.5Å; I1080-E1084 WeakPolarHBondContact O-CG 2.99Å; I1080-E1084 PolarHBondContact O-N 3.42Å |
| 1081 | I | 83.7 | Confident | 86.5 | Confident | 102 Ų | 102 | 95.6 Ų | 95.6 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 179.8 | -65.9 | 166.3 | 0 | 0 | 0 | 111.3 | Q1077 V1078 E1084 T1085 | Q1077-I1081 WeakPolarHBondContact O-CG1 3.34Å; Q1077-I1081 PolarHBondContact O-N 3.29Å; Q1077-I1081 VanDerWaalsContact O-N 3.1Å; V1078-I1081 PolarHBondContact O-N 3.13Å; V1078-I1081 VanDerWaalsContact O-N 3.15Å; I1081-E1084 PolarHBondContact O-N 3.14Å; I1081-T1085 WeakPolarHBondContact O-CB 3.38Å; I1081-T1085 PolarHBondContact O-N 2.92Å; I1081-T1085 PolarHBondContact O-OG1 3.37Å |
| 1082 | E | 87.9 | Confident | 86.3 | Confident | 101 Ų | 101 | 93.3 Ų | 93.3 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 174 | -73.8 | 179.3 | -179.1 | 0 | 0 | 111.7 | V1078 K1079 I1080 T1085 S1086 | V1078-E1082 HydrophobicContact CG1-CG 4.48Å; V1078-E1082 WeakPolarHBondContact O-CG 3.48Å; V1078-E1082 PolarHBondContact O-N 2.84Å; K1079-E1082 VanDerWaalsContact CD-OE2 3.29Å; K1079-E1082 WeakPolarHBondContact CD-OE2 3.48Å; K1079-E1082 IonicContact NZ-OE2 2.86Å; K1079-E1082 PolarHBondContact NZ-OE2 3.4Å; K1079-E1082 PolarHBondContact O-N 3.35Å; I1080-E1082 PolarHBondContact O-N 3.33Å; E1082-T1085 PolarHBondContact O-N 3.2Å; E1082-S1086 WeakPolarHBondContact O-CB 3.43Å; E1082-S1086 PolarHBondContact O-N 3.38Å |
| 1083 | L | 91.2 | Very high | 86.4 | Confident | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.5 | -38.8 | 179.8 | -72.3 | 172.4 | 0 | 0 | 0 | 112.2 | K1079 I1080 S1086 L1087 | K1079-L1083 HydrophobicContact CG-CD1 4.23Å; K1079-L1083 WeakPolarHBondContact O-CB 3.45Å; K1079-L1083 VanDerWaalsContact O-CG 3.27Å; K1079-L1083 WeakPolarHBondContact O-CG 3.43Å; K1079-L1083 PolarHBondContact O-N 3.14Å; I1080-L1083 PolarHBondContact O-N 2.94Å; L1083-S1086 PolarHBondContact O-N 2.85Å; L1083-L1087 VanDerWaalsContact O-CB 3.29Å; L1083-L1087 WeakPolarHBondContact O-CB 3.3Å; L1083-L1087 PolarHBondContact O-N 2.82Å |
| 1084 | E | 84.7 | Confident | 86.3 | Confident | 71 Ų | 71 | 96.8 Ų | 96.8 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.4 | -75.7 | -179.6 | 168.6 | 0 | 0 | 111.3 | L3 I1080 I1081 L1087 T1088 | L3-E1084 WeakPolarHBondContact CD1-OE1 3.32Å; I1080-E1084 HydrophobicContact CG2-CG 4.27Å; I1080-E1084 WeakPolarHBondContact O-CB 3.5Å; I1080-E1084 WeakPolarHBondContact O-CG 2.99Å; I1080-E1084 PolarHBondContact O-N 3.42Å; I1081-E1084 PolarHBondContact O-N 3.14Å; E1084-L1087 PolarHBondContact O-N 3.5Å; E1084-T1088 WeakPolarHBondContact O-CG2 3.35Å; E1084-T1088 PolarHBondContact O-N 3.25Å; E1084-T1088 PolarHBondContact O-OG1 3.37Å |
| 1085 | T | 85.6 | Confident | 85.9 | Confident | 71 Ų | 71 | 95 Ų | 95 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 176.7 | -54 | 0 | 0 | 0 | 0 | 110.9 | I1081 E1082 L1087 T1088 N1089 | I1081-T1085 WeakPolarHBondContact O-CB 3.38Å; I1081-T1085 PolarHBondContact O-N 2.92Å; I1081-T1085 PolarHBondContact O-OG1 3.37Å; E1082-T1085 PolarHBondContact O-N 3.2Å; T1085-L1087 VanDerWaalsContact C-N 3.33Å; T1085-L1087 PolarHBondContact O-N 2.92Å; T1085-T1088 WeakPolarHBondContact CA-OG1 3.37Å; T1085-T1088 PolarHBondContact O-N 2.91Å; T1085-T1088 PolarHBondContact O-OG1 2.94Å; T1085-N1089 PolarHBondContact O-N 3.07Å |
| 1086 | S | 88.7 | Confident | 85.7 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 175.2 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | E1082 L1083 T1088 N1089 E1090 | E1082-S1086 WeakPolarHBondContact O-CB 3.43Å; E1082-S1086 PolarHBondContact O-N 3.38Å; L1083-S1086 PolarHBondContact O-N 2.85Å; S1086-T1088 PolarHBondContact O-N 3.22Å; S1086-N1089 PolarHBondContact O-N 2.9Å; S1086-E1090 WeakPolarHBondContact O-CG 3.4Å; S1086-E1090 PolarHBondContact O-N 3.29Å |
| 1087 | L | 86.4 | Confident | 85.6 | Confident | 89 Ų | 89 | 93.5 Ų | 93.5 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 176.1 | 178.8 | 64.2 | 0 | 0 | 0 | 112.3 | L1083 E1084 T1085 R1091 | L1083-L1087 VanDerWaalsContact O-CB 3.29Å; L1083-L1087 WeakPolarHBondContact O-CB 3.3Å; L1083-L1087 PolarHBondContact O-N 2.82Å; E1084-L1087 PolarHBondContact O-N 3.5Å; T1085-L1087 VanDerWaalsContact C-N 3.33Å; T1085-L1087 PolarHBondContact O-N 2.92Å; L1087-R1091 WeakPolarHBondContact O-CG 3.43Å; L1087-R1091 PolarHBondContact O-N 3.12Å |
| 1088 | T | 81.7 | Confident | 85.4 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 42% | 0.423 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 176.5 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | E1084 T1085 S1086 R1091 Q1092 | E1084-T1088 WeakPolarHBondContact O-CG2 3.35Å; E1084-T1088 PolarHBondContact O-N 3.25Å; E1084-T1088 PolarHBondContact O-OG1 3.37Å; T1085-T1088 WeakPolarHBondContact CA-OG1 3.37Å; T1085-T1088 PolarHBondContact O-N 2.91Å; T1085-T1088 PolarHBondContact O-OG1 2.94Å; S1086-T1088 PolarHBondContact O-N 3.22Å; T1088-R1091 PolarHBondContact O-N 3.35Å; T1088-Q1092 WeakPolarHBondContact O-CG 3.46Å; T1088-Q1092 PolarHBondContact O-N 3.34Å |
| 1089 | N | 86.8 | Confident | 84.8 | Confident | 75 Ų | 75 | 98.6 Ų | 98.6 | 40% | 0.401 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 177.3 | -69.9 | -15.7 | 0 | 0 | 0 | 111.5 | T1085 S1086 R1091 Q1092 R1093 | T1085-N1089 PolarHBondContact O-N 3.07Å; S1086-N1089 PolarHBondContact O-N 2.9Å; N1089-R1091 VanDerWaalsContact C-N 3.33Å; N1089-R1091 PolarHBondContact O-N 2.97Å; N1089-Q1092 PolarHBondContact O-N 3.01Å; N1089-R1093 WeakPolarHBondContact O-CG 3.34Å; N1089-R1093 PolarHBondContact O-N 2.94Å |
| 1090 | E | 88.9 | Confident | 84.2 | Confident | 94 Ų | 94 | 96.4 Ų | 96.4 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | 177.2 | -71 | -54.5 | 131.4 | 0 | 0 | 112.2 | S1086 R1093 L1094 | S1086-E1090 WeakPolarHBondContact O-CG 3.4Å; S1086-E1090 PolarHBondContact O-N 3.29Å; E1090-R1093 PolarHBondContact O-N 3.39Å; E1090-R1093 IonicContact OE1-CZ 2.76Å; E1090-R1093 IonicContact OE1-NH1 3.4Å; E1090-R1093 PolarHBondContact OE1-NH1 3.34Å; E1090-L1094 WeakPolarHBondContact O-CB 3.37Å; E1090-L1094 PolarHBondContact O-N 2.89Å |
| 1091 | R | 85.3 | Confident | 83.3 | Confident | 166 Ų | 166 | 96.1 Ų | 96.1 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 172.3 | -76.3 | 176.5 | 176.4 | 177.8 | 1.1 | 112.6 | L1087 T1088 N1089 A1095 | L1087-R1091 WeakPolarHBondContact O-CG 3.43Å; L1087-R1091 PolarHBondContact O-N 3.12Å; T1088-R1091 PolarHBondContact O-N 3.35Å; N1089-R1091 VanDerWaalsContact C-N 3.33Å; N1089-R1091 PolarHBondContact O-N 2.97Å; R1091-A1095 WeakPolarHBondContact O-CB 3.44Å; R1091-A1095 PolarHBondContact O-N 2.85Å |
| 1092 | Q | 81.7 | Confident | 82.6 | Confident | 132 Ų | 132 | 99.4 Ų | 99.4 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.5 | -44.4 | 175.9 | -75.6 | 179.9 | -9 | 0 | 0 | 111.5 | T1088 N1089 L1094 A1095 Q1096 | T1088-Q1092 WeakPolarHBondContact O-CG 3.46Å; T1088-Q1092 PolarHBondContact O-N 3.34Å; N1089-Q1092 PolarHBondContact O-N 3.01Å; Q1092-L1094 PolarHBondContact O-N 3.31Å; Q1092-A1095 PolarHBondContact O-N 3.26Å; Q1092-Q1096 WeakPolarHBondContact O-CB 3.3Å; Q1092-Q1096 PolarHBondContact O-N 3.49Å |
| 1093 | R | 86.4 | Confident | 81.5 | Confident | 165 Ų | 165 | 100.3 Ų | 100.3 | 62% | 0.623 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.2 | -47.1 | 174.6 | -75 | 176.4 | 172.6 | 177.1 | -7.8 | 111.8 | N1089 E1090 A1095 Q1096 L1097 | N1089-R1093 WeakPolarHBondContact O-CG 3.34Å; N1089-R1093 PolarHBondContact O-N 2.94Å; E1090-R1093 PolarHBondContact O-N 3.39Å; E1090-R1093 IonicContact OE1-CZ 2.76Å; E1090-R1093 IonicContact OE1-NH1 3.4Å; E1090-R1093 PolarHBondContact OE1-NH1 3.34Å; R1093-A1095 VanDerWaalsContact C-N 3.33Å; R1093-A1095 PolarHBondContact O-N 2.88Å; R1093-Q1096 PolarHBondContact O-N 3.31Å; R1093-L1097 WeakPolarHBondContact O-CB 3.3Å; R1093-L1097 PolarHBondContact O-N 3.24Å |
| 1094 | L | 82.2 | Confident | 80.2 | Confident | 83 Ų | 83 | 100 Ų | 100 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.8 | 179.8 | 62.1 | 0 | 0 | 0 | 112.2 | E1090 Q1092 R1098 | E1090-L1094 WeakPolarHBondContact O-CB 3.37Å; E1090-L1094 PolarHBondContact O-N 2.89Å; Q1092-L1094 PolarHBondContact O-N 3.31Å; L1094-R1098 WeakPolarHBondContact O-CB 3.03Å; L1094-R1098 WeakPolarHBondContact O-CG 3.5Å; L1094-R1098 PolarHBondContact O-N 2.95Å |
| 1095 | A | 79.1 | Confident | 78.9 | Confident | 46 Ų | 46 | 98.9 Ų | 98.9 | 38% | 0.38 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -33.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1091 Q1092 R1093 R1099 | R1091-A1095 WeakPolarHBondContact O-CB 3.44Å; R1091-A1095 PolarHBondContact O-N 2.85Å; Q1092-A1095 PolarHBondContact O-N 3.26Å; R1093-A1095 VanDerWaalsContact C-N 3.33Å; R1093-A1095 PolarHBondContact O-N 2.88Å; A1095-R1099 WeakPolarHBondContact O-CG 3.49Å; A1095-R1099 PolarHBondContact O-N 3.04Å; A1095-R1099 PolarHBondContact O-NE 3.35Å |
| 1096 | Q | 83.7 | Confident | 77.2 | Confident | 77 Ų | 77 | 97.7 Ų | 97.7 | 36% | 0.36 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -52 | 172.6 | -175 | 63.9 | 40.3 | 0 | 0 | 110.5 | Q1092 R1093 R1098 R1099 D1100 | Q1092-Q1096 WeakPolarHBondContact O-CB 3.3Å; Q1092-Q1096 PolarHBondContact O-N 3.49Å; R1093-Q1096 PolarHBondContact O-N 3.31Å; Q1096-R1098 VanDerWaalsContact C-N 3.26Å; Q1096-R1098 PolarHBondContact O-N 3.47Å; Q1096-R1099 WeakPolarHBondContact O-CA 3.5Å; Q1096-R1099 WeakPolarHBondContact O-CB 3.46Å; Q1096-R1099 PolarHBondContact O-N 3.39Å; Q1096-D1100 PolarHBondContact NE2-OD1 2.97Å; Q1096-D1100 PolarHBondContact NE2-OD2 2.89Å; Q1096-D1100 VanDerWaalsContact O-CG 3.28Å; Q1096-D1100 PolarHBondContact O-N 3.44Å |
| 1097 | L | 82.6 | Confident | 75.5 | Confident | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -54.8 | -42.2 | 177.8 | -179.1 | 66.1 | 0 | 0 | 0 | 112.2 | R1093 D1100 N1101 | R1093-L1097 WeakPolarHBondContact O-CB 3.3Å; R1093-L1097 PolarHBondContact O-N 3.24Å; L1097-D1100 PolarHBondContact O-N 2.65Å; L1097-N1101 WeakPolarHBondContact O-CB 3.47Å; L1097-N1101 VanDerWaalsContact O-CG 3.24Å; L1097-N1101 PolarHBondContact O-N 3.22Å |
| 1098 | R | 80.6 | Confident | 73.8 | Confident | 146 Ų | 146 | 96.9 Ų | 96.9 | 55% | 0.551 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63 | -43 | 175 | -76.2 | 177.5 | 176.4 | 177.7 | -1.3 | 112.1 | L1094 Q1096 N1101 Y1102 | L1094-R1098 WeakPolarHBondContact O-CB 3.03Å; L1094-R1098 WeakPolarHBondContact O-CG 3.5Å; L1094-R1098 PolarHBondContact O-N 2.95Å; Q1096-R1098 VanDerWaalsContact C-N 3.26Å; Q1096-R1098 PolarHBondContact O-N 3.47Å; R1098-N1101 PolarHBondContact O-N 2.99Å; R1098-Y1102 HydrophobicContact CB-CE2 4.25Å; R1098-Y1102 WeakPolarHBondContact O-CD2 3.43Å; R1098-Y1102 PolarHBondContact O-N 3.24Å |
| 1099 | R | 76.4 | Confident | 72 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.4 | -81.8 | -177.8 | -78 | 138.7 | -0.9 | 111.3 | A1095 Q1096 Y1102 Q1103 | A1095-R1099 WeakPolarHBondContact O-CG 3.49Å; A1095-R1099 PolarHBondContact O-N 3.04Å; A1095-R1099 PolarHBondContact O-NE 3.35Å; Q1096-R1099 WeakPolarHBondContact O-CA 3.5Å; Q1096-R1099 WeakPolarHBondContact O-CB 3.46Å; Q1096-R1099 PolarHBondContact O-N 3.39Å; R1099-Y1102 PolarHBondContact O-N 2.88Å; R1099-Q1103 WeakPolarHBondContact O-CG 3.37Å; R1099-Q1103 PolarHBondContact O-N 3.44Å |
| 1100 | D | 75.8 | Confident | 70 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 31% | 0.305 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 179.4 | -58.5 | -17.8 | 0 | 0 | 0 | 110.6 | Q1096 L1097 Y1102 Q1103 L1104 | Q1096-D1100 PolarHBondContact NE2-OD1 2.97Å; Q1096-D1100 PolarHBondContact NE2-OD2 2.89Å; Q1096-D1100 VanDerWaalsContact O-CG 3.28Å; Q1096-D1100 PolarHBondContact O-N 3.44Å; L1097-D1100 PolarHBondContact O-N 2.65Å; D1100-Y1102 PolarHBondContact O-N 3.07Å; D1100-Q1103 PolarHBondContact O-N 2.81Å; D1100-L1104 WeakPolarHBondContact O-CB 3.38Å; D1100-L1104 WeakPolarHBondContact O-CG 3.36Å; D1100-L1104 PolarHBondContact O-N 3.25Å |
| 1101 | N | 69.9 | Low | 68 | Low | 83 Ų | 83 | 100.1 Ų | 100.1 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 175.5 | -73.2 | -8.8 | 0 | 0 | 0 | 112.8 | L1097 R1098 S1105 | L1097-N1101 WeakPolarHBondContact O-CB 3.47Å; L1097-N1101 VanDerWaalsContact O-CG 3.24Å; L1097-N1101 PolarHBondContact O-N 3.22Å; R1098-N1101 PolarHBondContact O-N 2.99Å; N1101-S1105 WeakPolarHBondContact O-CB 3.26Å; N1101-S1105 PolarHBondContact O-N 3.43Å; N1101-S1105 PolarHBondContact O-OG 3.49Å |
| 1102 | Y | 68.1 | Low | 65.6 | Low | 171 Ų | 171 | 95.7 Ų | 95.7 | 67% | 0.671 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.3 | -36.4 | 175.4 | -72.6 | -57.4 | 0 | 0 | 0 | 112.4 | R1098 R1099 D1100 A1106 | R1098-Y1102 HydrophobicContact CB-CE2 4.25Å; R1098-Y1102 WeakPolarHBondContact O-CD2 3.43Å; R1098-Y1102 PolarHBondContact O-N 3.24Å; R1099-Y1102 PolarHBondContact O-N 2.88Å; D1100-Y1102 PolarHBondContact O-N 3.07Å; Y1102-A1106 WeakPolarHBondContact O-CB 3.49Å; Y1102-A1106 PolarHBondContact O-N 3.07Å |
| 1103 | Q | 65.1 | Low | 63.4 | Low | 119 Ų | 119 | 95.3 Ų | 95.3 | 56% | 0.556 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.9 | -48.6 | 174.6 | -76.5 | 178.5 | -7.8 | 0 | 0 | 111.4 | R1099 D1100 S1105 A1106 E1107 | R1099-Q1103 WeakPolarHBondContact O-CG 3.37Å; R1099-Q1103 PolarHBondContact O-N 3.44Å; D1100-Q1103 PolarHBondContact O-N 2.81Å; Q1103-S1105 VanDerWaalsContact C-N 3.3Å; Q1103-S1105 PolarHBondContact O-N 2.93Å; Q1103-A1106 PolarHBondContact O-N 3.19Å; Q1103-A1106 VanDerWaalsContact O-N 3.09Å; Q1103-E1107 WeakPolarHBondContact O-CG 3.42Å; Q1103-E1107 PolarHBondContact O-N 3.27Å |
| 1104 | L | 64.9 | Low | 61 | Low | 99 Ų | 99 | 100.4 Ų | 100.4 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 175.2 | -72.6 | 168 | 0 | 0 | 0 | 111.4 | D1100 A1106 E1107 V1108 | D1100-L1104 WeakPolarHBondContact O-CB 3.38Å; D1100-L1104 WeakPolarHBondContact O-CG 3.36Å; D1100-L1104 PolarHBondContact O-N 3.25Å; L1104-A1106 VanDerWaalsContact C-N 3.34Å; L1104-A1106 PolarHBondContact O-N 2.97Å; L1104-E1107 PolarHBondContact O-N 3.36Å; L1104-V1108 WeakPolarHBondContact O-CB 3.4Å; L1104-V1108 WeakPolarHBondContact O-CG2 3.44Å; L1104-V1108 PolarHBondContact O-N 3.44Å |
| 1105 | S | 56.3 | Low | 59.9 | Low | 48 Ų | 48 | 101.3 Ų | 101.3 | 34% | 0.336 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 112 | N1101 Q1103 V1108 E1109 | N1101-S1105 WeakPolarHBondContact O-CB 3.26Å; N1101-S1105 PolarHBondContact O-N 3.43Å; N1101-S1105 PolarHBondContact O-OG 3.49Å; Q1103-S1105 VanDerWaalsContact C-N 3.3Å; Q1103-S1105 PolarHBondContact O-N 2.93Å; S1105-V1108 PolarHBondContact O-N 3.1Å; S1105-E1109 WeakPolarHBondContact O-CG 3.45Å; S1105-E1109 PolarHBondContact O-N 2.92Å |
| 1106 | A | 50.6 | Low | 58.9 | Low | 46 Ų | 46 | 104.2 Ų | 104.2 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.3 | -37.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1102 Q1103 L1104 E1109 L1110 | Y1102-A1106 WeakPolarHBondContact O-CB 3.49Å; Y1102-A1106 PolarHBondContact O-N 3.07Å; Q1103-A1106 PolarHBondContact O-N 3.19Å; Q1103-A1106 VanDerWaalsContact O-N 3.09Å; L1104-A1106 VanDerWaalsContact C-N 3.34Å; L1104-A1106 PolarHBondContact O-N 2.97Å; A1106-E1109 PolarHBondContact O-N 3.28Å; A1106-L1110 WeakPolarHBondContact O-CG 3.46Å; A1106-L1110 PolarHBondContact O-N 3.46Å |
| 1107 | E | 53.5 | Low | 57.5 | Low | 110 Ų | 110 | 105.7 Ų | 105.7 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 173.6 | -74.7 | 178.3 | 179.5 | 0 | 0 | 111 | Q1103 L1104 E1109 L1110 I1111 | Q1103-E1107 WeakPolarHBondContact O-CG 3.42Å; Q1103-E1107 PolarHBondContact O-N 3.27Å; L1104-E1107 PolarHBondContact O-N 3.36Å; E1107-E1109 VanDerWaalsContact C-N 3.34Å; E1107-E1109 PolarHBondContact O-N 2.94Å; E1107-L1110 PolarHBondContact O-N 3.25Å; E1107-I1111 WeakPolarHBondContact O-CD1 3.28Å; E1107-I1111 VanDerWaalsContact O-CG1 3.23Å; E1107-I1111 WeakPolarHBondContact O-CG1 3.47Å; E1107-I1111 PolarHBondContact O-N 3.13Å |
| 1108 | V | 50.5 | Low | 56.1 | Low | 24 Ų | 24 | 106.4 Ų | 106.4 | 15% | 0.145 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | Y722 L1104 S1105 I1111 N1112 | Y722-V1108 HydrophobicContact CD1-CG1 3.99Å; Y722-V1108 WeakPolarHBondContact O-CG1 3.4Å; L1104-V1108 WeakPolarHBondContact O-CB 3.4Å; L1104-V1108 WeakPolarHBondContact O-CG2 3.44Å; L1104-V1108 PolarHBondContact O-N 3.44Å; S1105-V1108 PolarHBondContact O-N 3.1Å; V1108-I1111 PolarHBondContact O-N 3.43Å; V1108-N1112 PolarHBondContact O-N 3.19Å; V1108-N1112 PolarHBondContact O-ND2 2.93Å |
| 1109 | E | 43.5 | Very low | 54.5 | Low | 112 Ų | 112 | 103.9 Ų | 103.9 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 172.9 | -78 | -174.3 | 174.1 | 0 | 0 | 112 | S1105 A1106 E1107 I1111 N1112 E1113 | S1105-E1109 WeakPolarHBondContact O-CG 3.45Å; S1105-E1109 PolarHBondContact O-N 2.92Å; A1106-E1109 PolarHBondContact O-N 3.28Å; E1107-E1109 VanDerWaalsContact C-N 3.34Å; E1107-E1109 PolarHBondContact O-N 2.94Å; E1109-I1111 VanDerWaalsContact C-N 3.3Å; E1109-I1111 PolarHBondContact O-N 3.49Å; E1109-N1112 PolarHBondContact O-N 3.36Å; E1109-E1113 PolarHBondContact O-N 2.85Å |
| 1110 | L | 44.3 | Very low | 53.1 | Low | 93 Ų | 93 | 102.1 Ų | 102.1 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -32.4 | 176.7 | -76 | 168.9 | 0 | 0 | 0 | 112.9 | A1106 E1107 R1114 | A1106-L1110 WeakPolarHBondContact O-CG 3.46Å; A1106-L1110 PolarHBondContact O-N 3.46Å; E1107-L1110 PolarHBondContact O-N 3.25Å; L1110-R1114 WeakPolarHBondContact O-CG 3.43Å; L1110-R1114 PolarHBondContact O-N 3.25Å |
| 1111 | I | 46.5 | Very low | 51.4 | Low | 102 Ų | 102 | 105.4 Ų | 105.4 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.7 | -39.7 | 174.4 | -68.5 | 163.4 | 0 | 0 | 0 | 110.7 | E1107 V1108 E1109 E1113 R1114 | E1107-I1111 WeakPolarHBondContact O-CD1 3.28Å; E1107-I1111 VanDerWaalsContact O-CG1 3.23Å; E1107-I1111 WeakPolarHBondContact O-CG1 3.47Å; E1107-I1111 PolarHBondContact O-N 3.13Å; V1108-I1111 PolarHBondContact O-N 3.43Å; E1109-I1111 VanDerWaalsContact C-N 3.3Å; E1109-I1111 PolarHBondContact O-N 3.49Å; I1111-E1113 VanDerWaalsContact C-N 3.33Å; I1111-R1114 PolarHBondContact O-N 3.36Å |
| 1112 | N | 36.4 | Very low | 50 | Low | 73 Ų | 73 | 107.1 Ų | 107.1 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.6 | -23.4 | 177.4 | -76.5 | -56.4 | 0 | 0 | 0 | 113.8 | V1108 E1109 | V1108-N1112 PolarHBondContact O-N 3.19Å; V1108-N1112 PolarHBondContact O-ND2 2.93Å; E1109-N1112 PolarHBondContact O-N 3.36Å |
| 1113 | E | 35.8 | Very low | 48.5 | Very low | 124 Ų | 124 | 101.8 Ų | 101.8 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -80.4 | -20.7 | 173.2 | -76.9 | -176 | 176.8 | 0 | 0 | 113.3 | R960 E1109 I1111 | R960-E1113 IonicContact CZ-OE1 3.94Å; R960-E1113 IonicContact NH2-OE1 3.62Å; R960-E1113 PolarHBondContact NH2-OE1 2.79Å; E1109-E1113 PolarHBondContact O-N 2.85Å; I1111-E1113 VanDerWaalsContact C-N 3.33Å |
| 1114 | R | 34.7 | Very low | 47 | Very low | 271 Ų | 271 | 100.2 Ų | 100.2 | 100% | 1.023 | 49% | 0.493 | S | S | * | . | trans | -87.4 | 0 | 172.7 | -77 | -178.2 | 179.5 | -171.4 | 1.6 | 110.9 | L1110 I1111 | L1110-R1114 WeakPolarHBondContact O-CG 3.43Å; L1110-R1114 PolarHBondContact O-N 3.25Å; I1111-R1114 PolarHBondContact O-N 3.36Å |
Retrieved 1,114 of 1,114 residues in 344 ms
(Link to these results)