| 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 | E | 59 | Low | 71.3 | Confident | 216 Ų | 216 | 140.4 Ų | 140.4 | 100% | 1.009 | 65% | 0.652 | S | S | * | * | 0 | -39.6 | 0 | -71 | -177.5 | 109.1 | 0 | 0 | 113.8 | E3 R4 | E1-E3 VanDerWaalsContact C-N 3.34Å; E1-E3 PolarHBondContact O-N 3.08Å; E1-E3 VanDerWaalsContact O-N 3.17Å; E1-R4 VanDerWaalsContact O-CB 3.26Å; E1-R4 WeakPolarHBondContact O-CB 3.45Å; E1-R4 PolarHBondContact O-N 2.8Å | |||
| 2 | E | 62.3 | Low | 72.3 | Confident | 123 Ų | 123 | 136.9 Ų | 136.9 | 58% | 0.575 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -49.5 | -43.2 | -171.1 | -152.3 | -165.9 | 139.9 | 0 | 0 | 115.7 | R4 L5 R6 | E2-R4 PolarHBondContact O-N 3Å; E2-L5 WeakPolarHBondContact O-CB 3.3Å; E2-L5 PolarHBondContact O-N 3.5Å; E2-R6 PolarHBondContact O-N 3.34Å; E2-R6 VanDerWaalsContact O-N 3.15Å; E2-R6 IonicContact OE1-CZ 3.32Å; E2-R6 VanDerWaalsContact OE1-CZ 3.32Å; E2-R6 IonicContact OE1-NE 3.19Å; E2-R6 PolarHBondContact OE1-NE 2.97Å; E2-R6 IonicContact OE1-NH2 2.66Å; E2-R6 PolarHBondContact OE1-NH2 3.43Å |
| 3 | E | 62.8 | Low | 73 | Confident | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -57.6 | -35.2 | 177.6 | -63 | 175.9 | 123.9 | 0 | 0 | 112.9 | E1 L5 R6 M7 | E1-E3 VanDerWaalsContact C-N 3.34Å; E1-E3 PolarHBondContact O-N 3.08Å; E1-E3 VanDerWaalsContact O-N 3.17Å; E3-L5 VanDerWaalsContact C-N 3.25Å; E3-L5 PolarHBondContact O-N 3.42Å; E3-R6 PolarHBondContact O-N 3.11Å; E3-M7 WeakPolarHBondContact O-CB 3.24Å; E3-M7 PolarHBondContact O-N 2.77Å |
| 4 | R | 69.5 | Low | 73.5 | Confident | 209 Ų | 209 | 134.4 Ų | 134.4 | 79% | 0.789 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.5 | -26.8 | 178.9 | -162.7 | -178.6 | -174.2 | -166.9 | 3.6 | 112.1 | E1 E2 R8 | E1-R4 VanDerWaalsContact O-CB 3.26Å; E1-R4 WeakPolarHBondContact O-CB 3.45Å; E1-R4 PolarHBondContact O-N 2.8Å; E2-R4 PolarHBondContact O-N 3Å; R4-R8 WeakPolarHBondContact O-CB 3.45Å; R4-R8 PolarHBondContact O-N 3.33Å |
| 5 | L | 69.6 | Low | 74 | Confident | 115 Ų | 115 | 131.3 Ų | 131.3 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.6 | -45.8 | 172.2 | -69.2 | 170.3 | 0 | 0 | 0 | 111 | E2 E3 M7 R8 I9 | E2-L5 WeakPolarHBondContact O-CB 3.3Å; E2-L5 PolarHBondContact O-N 3.5Å; E3-L5 VanDerWaalsContact C-N 3.25Å; E3-L5 PolarHBondContact O-N 3.42Å; L5-M7 VanDerWaalsContact C-N 3.34Å; L5-M7 PolarHBondContact O-N 3.45Å; L5-R8 PolarHBondContact O-N 3.09Å; L5-R8 VanDerWaalsContact O-N 3.12Å; L5-I9 WeakPolarHBondContact O-CG1 3.5Å; L5-I9 PolarHBondContact O-N 3.24Å |
| 6 | R | 72.8 | Confident | 74.6 | Confident | 160 Ų | 160 | 128.4 Ų | 128.4 | 60% | 0.604 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -57.8 | -45.5 | 176.5 | -61.5 | -176.3 | -172.2 | -173.6 | 2.4 | 111.7 | E2 E3 R8 I9 A10 | E2-R6 PolarHBondContact O-N 3.34Å; E2-R6 VanDerWaalsContact O-N 3.15Å; E2-R6 IonicContact OE1-CZ 3.32Å; E2-R6 VanDerWaalsContact OE1-CZ 3.32Å; E2-R6 IonicContact OE1-NE 3.19Å; E2-R6 PolarHBondContact OE1-NE 2.97Å; E2-R6 IonicContact OE1-NH2 2.66Å; E2-R6 PolarHBondContact OE1-NH2 3.43Å; E3-R6 PolarHBondContact O-N 3.11Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.49Å; R6-I9 PolarHBondContact O-N 3.33Å; R6-A10 PolarHBondContact O-N 3.17Å |
| 7 | M | 75.4 | Confident | 75 | Confident | 145 Ų | 145 | 127.4 Ų | 127.4 | 71% | 0.714 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.7 | -34.6 | 177.2 | -163.3 | 176.3 | -168.6 | 0 | 0 | 112.5 | E3 L5 V11 | E3-M7 WeakPolarHBondContact O-CB 3.24Å; E3-M7 PolarHBondContact O-N 2.77Å; L5-M7 VanDerWaalsContact C-N 3.34Å; L5-M7 PolarHBondContact O-N 3.45Å; M7-V11 WeakPolarHBondContact O-CG2 3.42Å; M7-V11 PolarHBondContact O-N 3.15Å |
| 8 | R | 75.8 | Confident | 75.4 | Confident | 182 Ų | 182 | 124.2 Ų | 124.2 | 69% | 0.687 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.7 | -32.1 | 175.4 | -172.4 | 169.8 | 180 | 161.4 | -0.9 | 112.8 | R4 L5 R6 L12 | R4-R8 WeakPolarHBondContact O-CB 3.45Å; R4-R8 PolarHBondContact O-N 3.33Å; L5-R8 PolarHBondContact O-N 3.09Å; L5-R8 VanDerWaalsContact O-N 3.12Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.49Å; R8-L12 HydrophobicContact CG-CD1 4.46Å; R8-L12 VanDerWaalsContact O-CG 3.29Å; R8-L12 WeakPolarHBondContact O-CG 3.48Å; R8-L12 PolarHBondContact O-N 3.27Å; R8-L12 VanDerWaalsContact O-N 3.13Å |
| 9 | I | 77.1 | Confident | 75.8 | Confident | 96 Ų | 96 | 121.2 Ų | 121.2 | 49% | 0.492 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.1 | -46.1 | 172.4 | -68.3 | 165.5 | 0 | 0 | 0 | 110.2 | L5 R6 V11 L12 E13 | L5-I9 WeakPolarHBondContact O-CG1 3.5Å; L5-I9 PolarHBondContact O-N 3.24Å; R6-I9 PolarHBondContact O-N 3.33Å; I9-V11 PolarHBondContact O-N 3.17Å; I9-L12 WeakPolarHBondContact O-CB 3.49Å; I9-L12 PolarHBondContact O-N 2.8Å; I9-E13 HydrophobicContact CG2-CG 4.49Å; I9-E13 PolarHBondContact O-N 3.29Å |
| 10 | A | 80.1 | Confident | 76.2 | Confident | 54 Ų | 54 | 120.1 Ų | 120.1 | 45% | 0.446 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -56.9 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R6 L12 E13 E14 | R6-A10 PolarHBondContact O-N 3.17Å; A10-L12 VanDerWaalsContact C-N 3.31Å; A10-L12 PolarHBondContact O-N 3.21Å; A10-E13 PolarHBondContact O-N 2.89Å; A10-E14 WeakPolarHBondContact O-CB 3.49Å; A10-E14 PolarHBondContact O-N 3.39Å |
| 11 | V | 80.6 | Confident | 76.6 | Confident | 79 Ų | 79 | 119.9 Ų | 119.9 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.1 | -36.6 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 112.2 | M7 I9 N15 | M7-V11 WeakPolarHBondContact O-CG2 3.42Å; M7-V11 PolarHBondContact O-N 3.15Å; I9-V11 PolarHBondContact O-N 3.17Å; V11-N15 VanDerWaalsContact O-CB 3.31Å; V11-N15 WeakPolarHBondContact O-CB 3.36Å; V11-N15 PolarHBondContact O-N 3.42Å; V11-N15 PolarHBondContact O-ND2 3.26Å |
| 12 | L | 82.3 | Confident | 77.7 | Confident | 99 Ų | 99 | 115.9 Ų | 115.9 | 52% | 0.518 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.8 | -40.5 | 175.7 | -74.8 | 169.5 | 0 | 0 | 0 | 112.3 | R8 I9 A10 N15 V16 | R8-L12 HydrophobicContact CG-CD1 4.46Å; R8-L12 VanDerWaalsContact O-CG 3.29Å; R8-L12 WeakPolarHBondContact O-CG 3.48Å; R8-L12 PolarHBondContact O-N 3.27Å; R8-L12 VanDerWaalsContact O-N 3.13Å; I9-L12 WeakPolarHBondContact O-CB 3.49Å; I9-L12 PolarHBondContact O-N 2.8Å; A10-L12 VanDerWaalsContact C-N 3.31Å; A10-L12 PolarHBondContact O-N 3.21Å; L12-N15 PolarHBondContact O-N 2.9Å; L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.42Å; L12-V16 PolarHBondContact O-N 3.44Å |
| 13 | E | 81.3 | Confident | 78.7 | Confident | 98 Ų | 98 | 113.5 Ų | 113.5 | 46% | 0.458 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -41 | 173.6 | -74.7 | -172.1 | -154.9 | 0 | 0 | 112.6 | I9 A10 V16 K17 | I9-E13 HydrophobicContact CG2-CG 4.49Å; I9-E13 PolarHBondContact O-N 3.29Å; A10-E13 PolarHBondContact O-N 2.89Å; E13-V16 PolarHBondContact O-N 2.62Å; E13-K17 WeakPolarHBondContact O-CB 3.23Å; E13-K17 WeakPolarHBondContact O-CD 3.25Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.15Å; E13-K17 IonicContact OE2-NZ 2.83Å; E13-K17 PolarHBondContact OE2-NZ 2.98Å |
| 14 | E | 80.4 | Confident | 79.8 | Confident | 140 Ų | 140 | 110.1 Ų | 110.1 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.4 | -37.7 | 179.4 | -167.2 | 155.9 | -153.3 | 0 | 0 | 111.5 | A10 K17 S18 | A10-E14 WeakPolarHBondContact O-CB 3.49Å; A10-E14 PolarHBondContact O-N 3.39Å; E14-K17 PolarHBondContact O-N 2.89Å; E14-S18 WeakPolarHBondContact O-CB 3.45Å; E14-S18 PolarHBondContact O-N 3.18Å |
| 15 | N | 81.1 | Confident | 80.4 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 168.2 | -74.1 | -22.8 | 0 | 0 | 0 | 112.2 | V11 L12 S18 C19 | V11-N15 VanDerWaalsContact O-CB 3.31Å; V11-N15 WeakPolarHBondContact O-CB 3.36Å; V11-N15 PolarHBondContact O-N 3.42Å; V11-N15 PolarHBondContact O-ND2 3.26Å; L12-N15 PolarHBondContact O-N 2.9Å; N15-S18 WeakPolarHBondContact O-CB 3.4Å; N15-S18 PolarHBondContact O-N 2.94Å; N15-C19 WeakPolarHBondContact O-CB 3.47Å; N15-C19 PolarHBondContact O-N 3.44Å; N15-C19 PolarHBondContact O-SG 3.34Å; N15-C19 VanDerWaalsContact O-SG 3.38Å |
| 16 | V | 83.1 | Confident | 81 | Confident | 85 Ų | 85 | 100.7 Ų | 100.7 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.8 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | L12 E13 S18 C19 E20 | L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.42Å; L12-V16 PolarHBondContact O-N 3.44Å; E13-V16 PolarHBondContact O-N 2.62Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 2.91Å; V16-C19 PolarHBondContact O-N 3.47Å; V16-E20 PolarHBondContact O-N 2.94Å |
| 17 | K | 82.6 | Confident | 81.8 | Confident | 112 Ų | 112 | 100.8 Ų | 100.8 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 175.4 | -69.4 | 158 | -164.6 | 161.2 | 0 | 111.4 | E13 E14 E20 L21 | E13-K17 WeakPolarHBondContact O-CB 3.23Å; E13-K17 WeakPolarHBondContact O-CD 3.25Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.15Å; E13-K17 IonicContact OE2-NZ 2.83Å; E13-K17 PolarHBondContact OE2-NZ 2.98Å; E14-K17 PolarHBondContact O-N 2.89Å; K17-E20 PolarHBondContact O-N 3.05Å; K17-L21 WeakPolarHBondContact O-CG 3.5Å; K17-L21 PolarHBondContact O-N 3.21Å; K17-L21 VanDerWaalsContact O-N 3.09Å |
| 18 | S | 81.7 | Confident | 82.3 | Confident | 70 Ų | 70 | 99.1 Ų | 99.1 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -51.9 | 174.1 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | E14 N15 V16 E20 L21 E22 | E14-S18 WeakPolarHBondContact O-CB 3.45Å; E14-S18 PolarHBondContact O-N 3.18Å; N15-S18 WeakPolarHBondContact O-CB 3.4Å; N15-S18 PolarHBondContact O-N 2.94Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 2.91Å; S18-E20 VanDerWaalsContact C-N 3.29Å; S18-E20 PolarHBondContact O-N 3.35Å; S18-L21 PolarHBondContact O-N 3.15Å; S18-L21 VanDerWaalsContact O-N 3.1Å; S18-E22 PolarHBondContact O-N 2.98Å |
| 19 | C | 82.6 | Confident | 82.7 | Confident | 67 Ų | 67 | 93 Ų | 93 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -32.3 | 176.8 | -69 | 0 | 0 | 0 | 0 | 112.9 | N15 V16 C23 | N15-C19 WeakPolarHBondContact O-CB 3.47Å; N15-C19 PolarHBondContact O-N 3.44Å; N15-C19 PolarHBondContact O-SG 3.34Å; N15-C19 VanDerWaalsContact O-SG 3.38Å; V16-C19 PolarHBondContact O-N 3.47Å; C19-C23 WeakPolarHBondContact O-CB 3.42Å; C19-C23 PolarHBondContact O-N 3.21Å; C19-C23 PolarHBondContact O-SG 2.85Å |
| 20 | E | 83.3 | Confident | 83.2 | Confident | 99 Ų | 99 | 90.7 Ų | 90.7 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 172 | -85.7 | -165.4 | -156.4 | 0 | 0 | 112.7 | V16 K17 S18 C23 K24 | V16-E20 PolarHBondContact O-N 2.94Å; K17-E20 PolarHBondContact O-N 3.05Å; S18-E20 VanDerWaalsContact C-N 3.29Å; S18-E20 PolarHBondContact O-N 3.35Å; E20-C23 PolarHBondContact O-N 2.89Å; E20-K24 WeakPolarHBondContact O-CB 3.44Å; E20-K24 WeakPolarHBondContact O-CD 3.24Å; E20-K24 VanDerWaalsContact O-CG 3.26Å; E20-K24 WeakPolarHBondContact O-CG 3.39Å; E20-K24 PolarHBondContact O-N 2.99Å; E20-K24 IonicContact OE2-NZ 3.14Å; E20-K24 PolarHBondContact OE2-NZ 2.93Å; E20-K24 VanDerWaalsContact OE2-NZ 3.14Å |
| 21 | L | 84.8 | Confident | 83.6 | Confident | 116 Ų | 116 | 93.3 Ų | 93.3 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.7 | -42.7 | 176.6 | -70.3 | 170.5 | 0 | 0 | 0 | 110.9 | K17 S18 K24 A25 | K17-L21 WeakPolarHBondContact O-CG 3.5Å; K17-L21 PolarHBondContact O-N 3.21Å; K17-L21 VanDerWaalsContact O-N 3.09Å; S18-L21 PolarHBondContact O-N 3.15Å; S18-L21 VanDerWaalsContact O-N 3.1Å; L21-K24 PolarHBondContact O-N 2.89Å; L21-A25 WeakPolarHBondContact O-CB 3.45Å; L21-A25 PolarHBondContact O-N 3.08Å |
| 22 | E | 83.1 | Confident | 84 | Confident | 132 Ų | 132 | 95.5 Ų | 95.5 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 173.6 | -171.9 | 175.2 | -152 | 0 | 0 | 111.6 | S18 K24 A25 S26 | S18-E22 PolarHBondContact O-N 2.98Å; E22-K24 VanDerWaalsContact C-N 3.32Å; E22-K24 PolarHBondContact O-N 2.9Å; E22-A25 PolarHBondContact O-N 2.92Å; E22-S26 WeakPolarHBondContact O-CB 3.27Å; E22-S26 PolarHBondContact O-N 3.4Å |
| 23 | C | 83.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 95.6 Ų | 95.6 | 49% | 0.493 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -31.8 | 174.3 | -73.3 | 0 | 0 | 0 | 0 | 113 | C19 E20 R27 | C19-C23 WeakPolarHBondContact O-CB 3.42Å; C19-C23 PolarHBondContact O-N 3.21Å; C19-C23 PolarHBondContact O-SG 2.85Å; E20-C23 PolarHBondContact O-N 2.89Å; C23-R27 WeakPolarHBondContact O-CB 3.48Å; C23-R27 PolarHBondContact O-N 3.33Å |
| 24 | K | 84.8 | Confident | 84.8 | Confident | 93 Ų | 93 | 96 Ų | 96 | 40% | 0.404 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.6 | -51.5 | 172.5 | -75.1 | 160.3 | -172.8 | 153 | 0 | 110.6 | E20 L21 E22 S26 R27 E28 | E20-K24 WeakPolarHBondContact O-CB 3.44Å; E20-K24 WeakPolarHBondContact O-CD 3.24Å; E20-K24 VanDerWaalsContact O-CG 3.26Å; E20-K24 WeakPolarHBondContact O-CG 3.39Å; E20-K24 PolarHBondContact O-N 2.99Å; E20-K24 IonicContact OE2-NZ 3.14Å; E20-K24 PolarHBondContact OE2-NZ 2.93Å; E20-K24 VanDerWaalsContact OE2-NZ 3.14Å; L21-K24 PolarHBondContact O-N 2.89Å; E22-K24 VanDerWaalsContact C-N 3.32Å; E22-K24 PolarHBondContact O-N 2.9Å; K24-S26 VanDerWaalsContact C-N 3.32Å; K24-S26 PolarHBondContact O-N 2.98Å; K24-R27 WeakPolarHBondContact O-CB 3.46Å; K24-R27 PolarHBondContact O-N 2.88Å; K24-R27 VanDerWaalsContact O-N 3.11Å; K24-E28 WeakPolarHBondContact O-CG 3.47Å; K24-E28 PolarHBondContact O-N 2.86Å |
| 25 | A | 82 | Confident | 85.2 | Confident | 50 Ų | 50 | 92.2 Ų | 92.2 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L21 E22 T29 | L21-A25 WeakPolarHBondContact O-CB 3.45Å; L21-A25 PolarHBondContact O-N 3.08Å; E22-A25 PolarHBondContact O-N 2.92Å; A25-T29 VanDerWaalsContact O-CB 3.29Å; A25-T29 WeakPolarHBondContact O-CB 3.42Å; A25-T29 PolarHBondContact O-N 3.12Å; A25-T29 PolarHBondContact O-OG1 3.13Å |
| 26 | S | 84.3 | Confident | 85.5 | Confident | 77 Ų | 77 | 92.6 Ų | 92.6 | 54% | 0.538 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | E22 K24 T29 A30 | E22-S26 WeakPolarHBondContact O-CB 3.27Å; E22-S26 PolarHBondContact O-N 3.4Å; K24-S26 VanDerWaalsContact C-N 3.32Å; K24-S26 PolarHBondContact O-N 2.98Å; S26-T29 PolarHBondContact O-N 2.61Å; S26-A30 WeakPolarHBondContact O-CB 3.24Å; S26-A30 PolarHBondContact O-N 2.78Å |
| 27 | R | 87.9 | Confident | 85.9 | Confident | 162 Ų | 162 | 93.1 Ų | 93.1 | 61% | 0.611 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 176.1 | -173.5 | -175.3 | -55.7 | 177.3 | 3.2 | 112.7 | C23 K24 T29 A30 Q31 | C23-R27 WeakPolarHBondContact O-CB 3.48Å; C23-R27 PolarHBondContact O-N 3.33Å; K24-R27 WeakPolarHBondContact O-CB 3.46Å; K24-R27 PolarHBondContact O-N 2.88Å; K24-R27 VanDerWaalsContact O-N 3.11Å; R27-T29 VanDerWaalsContact C-N 3.32Å; R27-A30 PolarHBondContact O-N 3.33Å; R27-Q31 WeakPolarHBondContact O-CB 3.46Å; R27-Q31 VanDerWaalsContact O-CG 3.3Å; R27-Q31 WeakPolarHBondContact O-CG 3.4Å; R27-Q31 PolarHBondContact O-N 3.1Å |
| 28 | E | 87.1 | Confident | 86.2 | Confident | 109 Ų | 109 | 91.3 Ų | 91.3 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 175.7 | -73.1 | 170.3 | -156.6 | 0 | 0 | 112 | K24 Q31 R32 | K24-E28 WeakPolarHBondContact O-CG 3.47Å; K24-E28 PolarHBondContact O-N 2.86Å; E28-Q31 PolarHBondContact O-N 3.12Å; E28-R32 PolarHBondContact O-N 2.92Å |
| 29 | T | 84.7 | Confident | 86.6 | Confident | 55 Ų | 55 | 93 Ų | 93 | 34% | 0.337 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.8 | -40.1 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | A25 S26 R27 Q31 R32 L33 | A25-T29 VanDerWaalsContact O-CB 3.29Å; A25-T29 WeakPolarHBondContact O-CB 3.42Å; A25-T29 PolarHBondContact O-N 3.12Å; A25-T29 PolarHBondContact O-OG1 3.13Å; S26-T29 PolarHBondContact O-N 2.61Å; R27-T29 VanDerWaalsContact C-N 3.32Å; T29-Q31 VanDerWaalsContact C-N 3.32Å; T29-Q31 PolarHBondContact O-N 3.41Å; T29-R32 PolarHBondContact O-N 3.39Å; T29-R32 PolarHBondContact OG1-NH2 2.84Å; T29-L33 HydrophobicContact CG2-CD1 4.25Å; T29-L33 WeakPolarHBondContact O-CB 3.44Å; T29-L33 WeakPolarHBondContact O-CG 3.49Å; T29-L33 PolarHBondContact O-N 2.99Å |
| 30 | A | 86.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S26 R27 L33 M34 | S26-A30 WeakPolarHBondContact O-CB 3.24Å; S26-A30 PolarHBondContact O-N 2.78Å; R27-A30 PolarHBondContact O-N 3.33Å; A30-L33 PolarHBondContact O-N 3.3Å; A30-M34 WeakPolarHBondContact O-CB 3.27Å; A30-M34 VanDerWaalsContact O-CG 3.3Å; A30-M34 WeakPolarHBondContact O-CG 3.41Å; A30-M34 PolarHBondContact O-N 2.78Å |
| 31 | Q | 87.9 | Confident | 87.1 | Confident | 109 Ų | 109 | 94.5 Ų | 94.5 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 174.2 | -77.4 | 174.6 | -20.4 | 0 | 0 | 112.5 | R27 E28 T29 M34 A35 | R27-Q31 WeakPolarHBondContact O-CB 3.46Å; R27-Q31 VanDerWaalsContact O-CG 3.3Å; R27-Q31 WeakPolarHBondContact O-CG 3.4Å; R27-Q31 PolarHBondContact O-N 3.1Å; E28-Q31 PolarHBondContact O-N 3.12Å; T29-Q31 VanDerWaalsContact C-N 3.32Å; T29-Q31 PolarHBondContact O-N 3.41Å; Q31-M34 HydrophobicContact CG-CE 3.99Å; Q31-M34 PolarHBondContact O-N 2.94Å; Q31-A35 WeakPolarHBondContact O-CB 3.45Å; Q31-A35 PolarHBondContact O-N 3.38Å |
| 32 | R | 89.8 | Confident | 87.5 | Confident | 126 Ų | 126 | 96.4 Ų | 96.4 | 48% | 0.475 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 170.3 | -91.7 | -179.2 | -80 | 105 | 2.8 | 111.8 | E28 T29 M34 A35 E36 | E28-R32 PolarHBondContact O-N 2.92Å; T29-R32 PolarHBondContact O-N 3.39Å; T29-R32 PolarHBondContact OG1-NH2 2.84Å; R32-M34 VanDerWaalsContact C-N 3.3Å; R32-M34 PolarHBondContact O-N 3.46Å; R32-A35 PolarHBondContact O-N 3.49Å; R32-E36 WeakPolarHBondContact O-CB 3.46Å; R32-E36 WeakPolarHBondContact O-CG 3.39Å; R32-E36 PolarHBondContact O-N 2.69Å |
| 33 | L | 89.2 | Confident | 87.8 | Confident | 100 Ų | 100 | 94.9 Ų | 94.9 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -34.2 | 178 | -71.1 | 170.7 | 0 | 0 | 0 | 112.9 | T29 A30 L37 | T29-L33 HydrophobicContact CG2-CD1 4.25Å; T29-L33 WeakPolarHBondContact O-CB 3.44Å; T29-L33 WeakPolarHBondContact O-CG 3.49Å; T29-L33 PolarHBondContact O-N 2.99Å; A30-L33 PolarHBondContact O-N 3.3Å; L33-L37 WeakPolarHBondContact O-CB 3.32Å; L33-L37 PolarHBondContact O-N 3.46Å |
| 34 | M | 90.4 | Very high | 88.2 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 171.3 | -75.4 | -173.4 | -63.2 | 0 | 0 | 112.1 | A30 Q31 R32 L37 D38 | A30-M34 WeakPolarHBondContact O-CB 3.27Å; A30-M34 VanDerWaalsContact O-CG 3.3Å; A30-M34 WeakPolarHBondContact O-CG 3.41Å; A30-M34 PolarHBondContact O-N 2.78Å; Q31-M34 HydrophobicContact CG-CE 3.99Å; Q31-M34 PolarHBondContact O-N 2.94Å; R32-M34 VanDerWaalsContact C-N 3.3Å; R32-M34 PolarHBondContact O-N 3.46Å; M34-L37 PolarHBondContact O-N 2.87Å; M34-D38 WeakPolarHBondContact O-CB 3.44Å; M34-D38 PolarHBondContact O-N 3.32Å |
| 35 | A | 88.6 | Confident | 88.5 | Confident | 61 Ų | 61 | 94 Ų | 94 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q31 R32 D38 Q39 | Q31-A35 WeakPolarHBondContact O-CB 3.45Å; Q31-A35 PolarHBondContact O-N 3.38Å; R32-A35 PolarHBondContact O-N 3.49Å; A35-D38 PolarHBondContact O-N 2.75Å; A35-Q39 WeakPolarHBondContact O-CB 3.23Å; A35-Q39 PolarHBondContact O-N 2.97Å |
| 36 | E | 88.3 | Confident | 89 | Confident | 97 Ų | 97 | 93.6 Ų | 93.6 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 173.2 | -71.9 | 164.6 | -151 | 0 | 0 | 111 | R32 D38 Q39 E40 | R32-E36 WeakPolarHBondContact O-CB 3.46Å; R32-E36 WeakPolarHBondContact O-CG 3.39Å; R32-E36 PolarHBondContact O-N 2.69Å; E36-D38 VanDerWaalsContact C-N 3.34Å; E36-D38 PolarHBondContact O-N 3.03Å; E36-Q39 CarbonylContact O-C 3.59Å; E36-Q39 WeakPolarHBondContact O-CB 3.24Å; E36-Q39 PolarHBondContact O-N 3.22Å; E36-Q39 VanDerWaalsContact O-N 3.15Å; E36-E40 PolarHBondContact O-N 2.78Å |
| 37 | L | 91.1 | Very high | 89.2 | Confident | 96 Ų | 96 | 93.4 Ų | 93.4 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 174.5 | 176.6 | 64 | 0 | 0 | 0 | 111.9 | L33 M34 Q39 E40 K41 | L33-L37 WeakPolarHBondContact O-CB 3.32Å; L33-L37 PolarHBondContact O-N 3.46Å; M34-L37 PolarHBondContact O-N 2.87Å; L37-Q39 VanDerWaalsContact C-N 3.35Å; L37-E40 PolarHBondContact O-N 3Å; L37-K41 WeakPolarHBondContact O-CB 3.39Å; L37-K41 VanDerWaalsContact O-CG 3.29Å; L37-K41 WeakPolarHBondContact O-CG 3.35Å; L37-K41 PolarHBondContact O-N 3.38Å |
| 38 | D | 89.8 | Confident | 89.5 | Confident | 73 Ų | 73 | 87.8 Ų | 87.8 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.8 | -26.3 | 176.5 | -75.3 | -8.8 | 0 | 0 | 0 | 112.6 | M34 A35 E36 K41 K42 | M34-D38 WeakPolarHBondContact O-CB 3.44Å; M34-D38 PolarHBondContact O-N 3.32Å; A35-D38 PolarHBondContact O-N 2.75Å; E36-D38 VanDerWaalsContact C-N 3.34Å; E36-D38 PolarHBondContact O-N 3.03Å; D38-K41 WeakPolarHBondContact OD1-CD 3.46Å; D38-K41 IonicContact OD1-NZ 2.61Å; D38-K41 PolarHBondContact OD1-NZ 2.97Å; D38-K42 WeakPolarHBondContact O-CB 3.41Å; D38-K42 WeakPolarHBondContact O-CD 3.48Å; D38-K42 WeakPolarHBondContact O-CG 3.43Å; D38-K42 PolarHBondContact O-N 3.21Å; D38-K42 VanDerWaalsContact O-N 3.09Å |
| 39 | Q | 89.2 | Confident | 89.7 | Confident | 107 Ų | 107 | 85.5 Ų | 85.5 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -42.5 | 169 | -169.7 | 179.5 | 10.7 | 0 | 0 | 111.2 | A35 E36 L37 K42 K43 | A35-Q39 WeakPolarHBondContact O-CB 3.23Å; A35-Q39 PolarHBondContact O-N 2.97Å; E36-Q39 CarbonylContact O-C 3.59Å; E36-Q39 WeakPolarHBondContact O-CB 3.24Å; E36-Q39 PolarHBondContact O-N 3.22Å; E36-Q39 VanDerWaalsContact O-N 3.15Å; L37-Q39 VanDerWaalsContact C-N 3.35Å; Q39-K42 PolarHBondContact O-N 2.86Å; Q39-K43 WeakPolarHBondContact O-CG 3.24Å; Q39-K43 PolarHBondContact O-N 2.84Å |
| 40 | E | 87.4 | Confident | 90.1 | Very high | 89 Ų | 89 | 85.3 Ų | 85.3 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.5 | -35.9 | 175 | -69.3 | -51.3 | 141.1 | 0 | 0 | 112.5 | E36 L37 K42 K43 T44 | E36-E40 PolarHBondContact O-N 2.78Å; L37-E40 PolarHBondContact O-N 3Å; E40-K42 VanDerWaalsContact C-N 3.31Å; E40-K42 PolarHBondContact O-N 3.4Å; E40-K43 PolarHBondContact O-N 3.34Å; E40-K43 VanDerWaalsContact OE1-CD 3.3Å; E40-K43 WeakPolarHBondContact OE1-CD 3.36Å; E40-K43 WeakPolarHBondContact OE1-CE 3.28Å; E40-K43 IonicContact OE1-NZ 3.99Å; E40-K43 PolarHBondContact OE1-NZ 3.23Å; E40-K43 VanDerWaalsContact OE2-CD 3.25Å; E40-K43 WeakPolarHBondContact OE2-CD 3.5Å; E40-K43 IonicContact OE2-NZ 3.78Å; E40-T44 WeakPolarHBondContact O-CB 3.38Å; E40-T44 WeakPolarHBondContact O-CG2 3.48Å; E40-T44 PolarHBondContact O-N 2.67Å; E40-T44 PolarHBondContact O-OG1 2.88Å |
| 41 | K | 89.9 | Confident | 90.5 | Very high | 107 Ų | 107 | 88.2 Ų | 88.2 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 167.8 | -74.5 | 171.8 | -163.6 | 151.9 | 0 | 111.5 | L37 D38 T44 A45 | L37-K41 WeakPolarHBondContact O-CB 3.39Å; L37-K41 VanDerWaalsContact O-CG 3.29Å; L37-K41 WeakPolarHBondContact O-CG 3.35Å; L37-K41 PolarHBondContact O-N 3.38Å; D38-K41 WeakPolarHBondContact OD1-CD 3.46Å; D38-K41 IonicContact OD1-NZ 2.61Å; D38-K41 PolarHBondContact OD1-NZ 2.97Å; K41-T44 WeakPolarHBondContact CA-OG1 3.46Å; K41-T44 PolarHBondContact O-OG1 2.93Å; K41-A45 WeakPolarHBondContact O-CB 3.37Å; K41-A45 PolarHBondContact O-N 3.48Å |
| 42 | K | 91.6 | Very high | 90.8 | Very high | 157 Ų | 157 | 86.5 Ų | 86.5 | 68% | 0.683 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.9 | -41.8 | 177 | -74.5 | 165.8 | -173.8 | 170.7 | 0 | 112.3 | D38 Q39 E40 G46 | D38-K42 WeakPolarHBondContact O-CB 3.41Å; D38-K42 WeakPolarHBondContact O-CD 3.48Å; D38-K42 WeakPolarHBondContact O-CG 3.43Å; D38-K42 PolarHBondContact O-N 3.21Å; D38-K42 VanDerWaalsContact O-N 3.09Å; Q39-K42 PolarHBondContact O-N 2.86Å; E40-K42 VanDerWaalsContact C-N 3.31Å; E40-K42 PolarHBondContact O-N 3.4Å; K42-G46 PolarHBondContact O-N 3.11Å |
| 43 | K | 90.7 | Very high | 91 | Very high | 99 Ų | 99 | 83.2 Ų | 83.2 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -52.2 | 174.4 | -73.7 | 166.9 | 176.4 | 177.7 | 0 | 111.4 | Q39 E40 A45 G46 S47 | Q39-K43 WeakPolarHBondContact O-CG 3.24Å; Q39-K43 PolarHBondContact O-N 2.84Å; E40-K43 PolarHBondContact O-N 3.34Å; E40-K43 VanDerWaalsContact OE1-CD 3.3Å; E40-K43 WeakPolarHBondContact OE1-CD 3.36Å; E40-K43 WeakPolarHBondContact OE1-CE 3.28Å; E40-K43 IonicContact OE1-NZ 3.99Å; E40-K43 PolarHBondContact OE1-NZ 3.23Å; E40-K43 VanDerWaalsContact OE2-CD 3.25Å; E40-K43 WeakPolarHBondContact OE2-CD 3.5Å; E40-K43 IonicContact OE2-NZ 3.78Å; K43-A45 PolarHBondContact O-N 3.44Å; K43-G46 PolarHBondContact O-N 3.45Å; K43-G46 VanDerWaalsContact O-N 3.17Å; K43-S47 PolarHBondContact O-N 2.81Å; K43-S47 PolarHBondContact O-OG 3.19Å |
| 44 | T | 90.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 83.2 Ų | 83.2 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | -179.3 | 50 | 0 | 0 | 0 | 0 | 112.5 | E40 K41 S47 A48 | E40-T44 WeakPolarHBondContact O-CB 3.38Å; E40-T44 WeakPolarHBondContact O-CG2 3.48Å; E40-T44 PolarHBondContact O-N 2.67Å; E40-T44 PolarHBondContact O-OG1 2.88Å; K41-T44 WeakPolarHBondContact CA-OG1 3.46Å; K41-T44 PolarHBondContact O-OG1 2.93Å; T44-S47 PolarHBondContact O-N 2.88Å; T44-A48 WeakPolarHBondContact O-CB 3.23Å; T44-A48 PolarHBondContact O-N 3.47Å |
| 45 | A | 91.9 | Very high | 91.4 | Very high | 61 Ų | 61 | 83.3 Ų | 83.3 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K41 K43 A48 A49 | K41-A45 WeakPolarHBondContact O-CB 3.37Å; K41-A45 PolarHBondContact O-N 3.48Å; K43-A45 PolarHBondContact O-N 3.44Å; A45-A48 PolarHBondContact O-N 2.82Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 2.9Å |
| 46 | G | 91.8 | Very high | 91.8 | Very high | 42 Ų | 42 | 87.4 Ų | 87.4 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K42 K43 A49 A50 | K42-G46 PolarHBondContact O-N 3.11Å; K43-G46 PolarHBondContact O-N 3.45Å; K43-G46 VanDerWaalsContact O-N 3.17Å; G46-A49 PolarHBondContact O-N 3.46Å; G46-A50 WeakPolarHBondContact O-CB 3.48Å; G46-A50 PolarHBondContact O-N 3.29Å |
| 47 | S | 89.5 | Confident | 92.1 | Very high | 73 Ų | 73 | 88.2 Ų | 88.2 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -36 | 174.4 | -63 | 0 | 0 | 0 | 0 | 112.7 | K43 T44 L51 | K43-S47 PolarHBondContact O-N 2.81Å; K43-S47 PolarHBondContact O-OG 3.19Å; T44-S47 PolarHBondContact O-N 2.88Å; S47-L51 WeakPolarHBondContact O-CB 3.33Å; S47-L51 VanDerWaalsContact O-CG 3.28Å; S47-L51 WeakPolarHBondContact O-CG 3.4Å; S47-L51 PolarHBondContact O-N 3.28Å |
| 48 | A | 92.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 88.6 Ų | 88.6 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -50.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | T44 A45 A50 L51 D52 | T44-A48 WeakPolarHBondContact O-CB 3.23Å; T44-A48 PolarHBondContact O-N 3.47Å; A45-A48 PolarHBondContact O-N 2.82Å; A48-A50 VanDerWaalsContact C-N 3.3Å; A48-A50 PolarHBondContact O-N 2.91Å; A48-L51 CarbonylContact O-C 3.49Å; A48-L51 WeakPolarHBondContact O-CB 3.19Å; A48-L51 PolarHBondContact O-N 3.25Å; A48-L51 VanDerWaalsContact O-N 3.07Å; A48-D52 PolarHBondContact O-N 3.49Å |
| 49 | A | 93 | Very high | 92.6 | Very high | 62 Ų | 62 | 91.7 Ų | 91.7 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A45 G46 D52 S53 | A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 2.9Å; G46-A49 PolarHBondContact O-N 3.46Å; A49-D52 PolarHBondContact O-N 3.01Å; A49-S53 WeakPolarHBondContact O-CB 3.39Å; A49-S53 PolarHBondContact O-N 2.99Å |
| 50 | A | 93.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 88.7 Ų | 88.7 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G46 A48 L54 | G46-A50 WeakPolarHBondContact O-CB 3.48Å; G46-A50 PolarHBondContact O-N 3.29Å; A48-A50 VanDerWaalsContact C-N 3.3Å; A48-A50 PolarHBondContact O-N 2.91Å; A50-L54 WeakPolarHBondContact O-CB 3.17Å; A50-L54 VanDerWaalsContact O-CG 3.3Å; A50-L54 WeakPolarHBondContact O-CG 3.34Å; A50-L54 PolarHBondContact O-N 3.5Å |
| 51 | L | 93.9 | Very high | 93.4 | Very high | 106 Ų | 106 | 90 Ų | 90 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.9 | -36.1 | 174.2 | -77 | 169.2 | 0 | 0 | 0 | 112.3 | S47 A48 L54 K55 | S47-L51 WeakPolarHBondContact O-CB 3.33Å; S47-L51 VanDerWaalsContact O-CG 3.28Å; S47-L51 WeakPolarHBondContact O-CG 3.4Å; S47-L51 PolarHBondContact O-N 3.28Å; A48-L51 CarbonylContact O-C 3.49Å; A48-L51 WeakPolarHBondContact O-CB 3.19Å; A48-L51 PolarHBondContact O-N 3.25Å; A48-L51 VanDerWaalsContact O-N 3.07Å; L51-L54 PolarHBondContact O-N 3.32Å; L51-K55 VanDerWaalsContact O-CG 3.32Å; L51-K55 WeakPolarHBondContact O-CG 3.49Å; L51-K55 PolarHBondContact O-N 3.37Å |
| 52 | D | 94.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 86.6 Ų | 86.6 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.8 | -42.2 | 177.1 | -67.1 | -32.4 | 0 | 0 | 0 | 111.2 | A48 A49 L54 K55 E56 | A48-D52 PolarHBondContact O-N 3.49Å; A49-D52 PolarHBondContact O-N 3.01Å; D52-L54 VanDerWaalsContact C-N 3.3Å; D52-L54 PolarHBondContact O-N 2.81Å; D52-K55 WeakPolarHBondContact O-CB 3.24Å; D52-K55 PolarHBondContact O-N 3.33Å; D52-K55 WeakPolarHBondContact OD1-CE 3.48Å; D52-K55 IonicContact OD1-NZ 2.67Å; D52-K55 PolarHBondContact OD1-NZ 2.87Å; D52-E56 PolarHBondContact O-N 2.85Å |
| 53 | S | 94.1 | Very high | 93.9 | Very high | 56 Ų | 56 | 83.3 Ų | 83.3 | 39% | 0.392 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.3 | -43.2 | 169.3 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | A49 K55 E56 E57 | A49-S53 WeakPolarHBondContact O-CB 3.39Å; A49-S53 PolarHBondContact O-N 2.99Å; S53-K55 VanDerWaalsContact C-N 3.33Å; S53-K55 PolarHBondContact O-N 3.47Å; S53-E56 PolarHBondContact O-N 3.41Å; S53-E57 WeakPolarHBondContact O-CG 3.49Å; S53-E57 PolarHBondContact O-N 2.86Å |
| 54 | L | 94.4 | Very high | 94.2 | Very high | 100 Ų | 100 | 80.4 Ų | 80.4 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.9 | -25.6 | 176.8 | -73.2 | 169.9 | 0 | 0 | 0 | 113.4 | A50 L51 D52 L58 | A50-L54 WeakPolarHBondContact O-CB 3.17Å; A50-L54 VanDerWaalsContact O-CG 3.3Å; A50-L54 WeakPolarHBondContact O-CG 3.34Å; A50-L54 PolarHBondContact O-N 3.5Å; L51-L54 PolarHBondContact O-N 3.32Å; D52-L54 VanDerWaalsContact C-N 3.3Å; D52-L54 PolarHBondContact O-N 2.81Å; L54-L58 WeakPolarHBondContact O-CB 3.17Å; L54-L58 PolarHBondContact O-N 2.74Å |
| 55 | K | 94.9 | Very high | 94.4 | Very high | 108 Ų | 108 | 83.7 Ų | 83.7 | 47% | 0.47 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.7 | -45.8 | 169.9 | -69 | 164.7 | -158.2 | 165.2 | 0 | 110.7 | L51 D52 S53 E57 L58 E59 | L51-K55 VanDerWaalsContact O-CG 3.32Å; L51-K55 WeakPolarHBondContact O-CG 3.49Å; L51-K55 PolarHBondContact O-N 3.37Å; D52-K55 WeakPolarHBondContact O-CB 3.24Å; D52-K55 PolarHBondContact O-N 3.33Å; D52-K55 WeakPolarHBondContact OD1-CE 3.48Å; D52-K55 IonicContact OD1-NZ 2.67Å; D52-K55 PolarHBondContact OD1-NZ 2.87Å; S53-K55 VanDerWaalsContact C-N 3.33Å; S53-K55 PolarHBondContact O-N 3.47Å; K55-E57 VanDerWaalsContact C-N 3.34Å; K55-E57 PolarHBondContact O-N 2.99Å; K55-L58 PolarHBondContact O-N 2.83Å; K55-L58 VanDerWaalsContact O-N 3.17Å; K55-E59 WeakPolarHBondContact O-CB 3.37Å; K55-E59 WeakPolarHBondContact O-CG 3.48Å; K55-E59 PolarHBondContact O-N 3.5Å |
| 56 | E | 95.6 | Very high | 94.6 | Very high | 148 Ų | 148 | 87.8 Ų | 87.8 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 177.1 | -69.6 | -178.5 | 178.4 | 0 | 0 | 111.3 | D52 S53 E59 G60 | D52-E56 PolarHBondContact O-N 2.85Å; S53-E56 PolarHBondContact O-N 3.41Å; E56-E59 PolarHBondContact O-N 2.81Å; E56-G60 PolarHBondContact O-N 2.96Å |
| 57 | E | 95.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 87.1 Ų | 87.1 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 171.5 | -75.9 | 178.1 | -154 | 0 | 0 | 112.3 | S53 K55 G60 L61 | S53-E57 WeakPolarHBondContact O-CG 3.49Å; S53-E57 PolarHBondContact O-N 2.86Å; K55-E57 VanDerWaalsContact C-N 3.34Å; K55-E57 PolarHBondContact O-N 2.99Å; E57-G60 PolarHBondContact O-N 2.93Å; E57-L61 WeakPolarHBondContact O-CB 3.37Å; E57-L61 VanDerWaalsContact O-CG 3.27Å; E57-L61 WeakPolarHBondContact O-CG 3.44Å; E57-L61 PolarHBondContact O-N 2.96Å |
| 58 | L | 95.2 | Very high | 95.2 | Very high | 105 Ų | 105 | 88.1 Ų | 88.1 | 55% | 0.55 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 178.5 | 178.7 | 61.2 | 0 | 0 | 0 | 111.9 | L54 K55 L61 V62 | L54-L58 WeakPolarHBondContact O-CB 3.17Å; L54-L58 PolarHBondContact O-N 2.74Å; K55-L58 PolarHBondContact O-N 2.83Å; K55-L58 VanDerWaalsContact O-N 3.17Å; L58-L61 PolarHBondContact O-N 3.5Å; L58-V62 HydrophobicContact CD1-CG2 4.15Å; L58-V62 HydrophobicContact CG-CG2 4.42Å; L58-V62 WeakPolarHBondContact O-CB 3.35Å; L58-V62 WeakPolarHBondContact O-CG2 3.22Å; L58-V62 PolarHBondContact O-N 2.96Å |
| 59 | E | 95.9 | Very high | 95.4 | Very high | 137 Ų | 137 | 89 Ų | 89 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 176.1 | -74.1 | -173.3 | -162.7 | 0 | 0 | 111.1 | K55 E56 V62 V63 | K55-E59 WeakPolarHBondContact O-CB 3.37Å; K55-E59 WeakPolarHBondContact O-CG 3.48Å; K55-E59 PolarHBondContact O-N 3.5Å; E56-E59 PolarHBondContact O-N 2.81Å; E59-V62 CarbonylContact O-C 3.6Å; E59-V62 PolarHBondContact O-N 3.16Å; E59-V63 WeakPolarHBondContact O-CG2 3.37Å; E59-V63 PolarHBondContact O-N 2.81Å |
| 60 | G | 96.1 | Very high | 95.5 | Very high | 44 Ų | 44 | 89.8 Ų | 89.8 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E56 E57 V62 V63 G64 | E56-G60 PolarHBondContact O-N 2.96Å; E57-G60 PolarHBondContact O-N 2.93Å; G60-V62 VanDerWaalsContact C-N 3.33Å; G60-V62 PolarHBondContact O-N 3.34Å; G60-V63 PolarHBondContact O-N 3.08Å; G60-G64 PolarHBondContact O-N 3.24Å |
| 61 | L | 96.4 | Very high | 95.7 | Very high | 118 Ų | 118 | 92.8 Ų | 92.8 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.7 | -33.8 | 175.3 | -72.5 | 170.3 | 0 | 0 | 0 | 112.6 | E57 L58 R65 | E57-L61 WeakPolarHBondContact O-CB 3.37Å; E57-L61 VanDerWaalsContact O-CG 3.27Å; E57-L61 WeakPolarHBondContact O-CG 3.44Å; E57-L61 PolarHBondContact O-N 2.96Å; L58-L61 PolarHBondContact O-N 3.5Å; L61-R65 WeakPolarHBondContact O-CB 3.49Å; L61-R65 PolarHBondContact O-N 3.15Å |
| 62 | V | 96.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 93.6 Ų | 93.6 | 21% | 0.212 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -74.3 | -34.4 | 176 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L58 E59 G60 R66 | L58-V62 HydrophobicContact CD1-CG2 4.15Å; L58-V62 HydrophobicContact CG-CG2 4.42Å; L58-V62 WeakPolarHBondContact O-CB 3.35Å; L58-V62 WeakPolarHBondContact O-CG2 3.22Å; L58-V62 PolarHBondContact O-N 2.96Å; E59-V62 CarbonylContact O-C 3.6Å; E59-V62 PolarHBondContact O-N 3.16Å; G60-V62 VanDerWaalsContact C-N 3.33Å; G60-V62 PolarHBondContact O-N 3.34Å; V62-R66 WeakPolarHBondContact O-CG 3.45Å; V62-R66 PolarHBondContact O-N 2.94Å; V62-R66 PolarHBondContact O-NE 2.88Å; V62-R66 VanDerWaalsContact O-NE 3.09Å |
| 63 | V | 96.3 | Very high | 96 | Very high | 87 Ų | 87 | 96.5 Ų | 96.5 | 53% | 0.527 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -51.9 | 168.1 | 172 | 0 | 0 | 0 | 0 | 110.5 | E59 G60 R65 R66 G67 | E59-V63 WeakPolarHBondContact O-CG2 3.37Å; E59-V63 PolarHBondContact O-N 2.81Å; G60-V63 PolarHBondContact O-N 3.08Å; V63-R65 PolarHBondContact O-N 2.79Å; V63-R66 VanDerWaalsContact CG2-NH2 3.28Å; V63-R66 WeakPolarHBondContact O-CB 3.4Å; V63-R66 PolarHBondContact O-N 2.82Å; V63-G67 PolarHBondContact O-N 3.21Å |
| 64 | G | 96.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 97.8 Ų | 97.8 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G60 R66 G67 V68 | G60-G64 PolarHBondContact O-N 3.24Å; G64-R66 VanDerWaalsContact C-N 3.31Å; G64-R66 PolarHBondContact O-N 2.87Å; G64-G67 PolarHBondContact O-N 3.3Å; G64-G67 VanDerWaalsContact O-N 3.13Å; G64-V68 PolarHBondContact O-N 3.31Å |
| 65 | R | 96.2 | Very high | 96.2 | Very high | 156 Ų | 156 | 98.8 Ų | 98.8 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -36.6 | 174.6 | -173.5 | 178 | 70.7 | -113 | 5.5 | 112.7 | L61 V63 E69 | L61-R65 WeakPolarHBondContact O-CB 3.49Å; L61-R65 PolarHBondContact O-N 3.15Å; V63-R65 PolarHBondContact O-N 2.79Å; R65-E69 VanDerWaalsContact O-CB 3.29Å; R65-E69 WeakPolarHBondContact O-CB 3.36Å; R65-E69 PolarHBondContact O-N 3.2Å |
| 66 | R | 96 | Very high | 96.3 | Very high | 148 Ų | 148 | 96.6 Ų | 96.6 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | 173.6 | -76.9 | 177.4 | -68.8 | -151.8 | 3.4 | 111.2 | V62 V63 G64 E69 T70 | V62-R66 WeakPolarHBondContact O-CG 3.45Å; V62-R66 PolarHBondContact O-N 2.94Å; V62-R66 PolarHBondContact O-NE 2.88Å; V62-R66 VanDerWaalsContact O-NE 3.09Å; V63-R66 VanDerWaalsContact CG2-NH2 3.28Å; V63-R66 WeakPolarHBondContact O-CB 3.4Å; V63-R66 PolarHBondContact O-N 2.82Å; G64-R66 VanDerWaalsContact C-N 3.31Å; G64-R66 PolarHBondContact O-N 2.87Å; R66-E69 PolarHBondContact O-N 3.43Å; R66-T70 PolarHBondContact O-N 2.86Å; R66-T70 PolarHBondContact O-OG1 3.11Å; R66-T70 VanDerWaalsContact O-OG1 3.12Å |
| 67 | G | 97 | Very high | 96.4 | Very high | 28 Ų | 28 | 95.5 Ų | 95.5 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -54.8 | -57.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V63 G64 E69 T70 E71 | V63-G67 PolarHBondContact O-N 3.21Å; G64-G67 PolarHBondContact O-N 3.3Å; G64-G67 VanDerWaalsContact O-N 3.13Å; G67-E69 VanDerWaalsContact C-N 3.3Å; G67-E69 PolarHBondContact O-N 3.31Å; G67-T70 WeakPolarHBondContact CA-OG1 3.43Å; G67-T70 WeakPolarHBondContact O-CA 3.49Å; G67-T70 PolarHBondContact O-N 2.91Å; G67-T70 PolarHBondContact O-OG1 2.94Å; G67-E71 WeakPolarHBondContact O-CG 3.28Å; G67-E71 PolarHBondContact O-N 2.93Å |
| 68 | V | 96.5 | Very high | 96.4 | Very high | 93 Ų | 93 | 93.4 Ų | 93.4 | 56% | 0.564 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.5 | -38.2 | 179.2 | 175.5 | 0 | 0 | 0 | 0 | 112.3 | G64 E71 K72 | G64-V68 PolarHBondContact O-N 3.31Å; V68-E71 PolarHBondContact O-N 3.4Å; V68-K72 WeakPolarHBondContact O-CB 3.48Å; V68-K72 PolarHBondContact O-N 3.41Å |
| 69 | E | 96.3 | Very high | 96.6 | Very high | 61 Ų | 61 | 93.4 Ų | 93.4 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.5 | -29.8 | 175.8 | 177.1 | 60 | -159.7 | 0 | 0 | 112.5 | R65 R66 G67 K72 R73 | R65-E69 VanDerWaalsContact O-CB 3.29Å; R65-E69 WeakPolarHBondContact O-CB 3.36Å; R65-E69 PolarHBondContact O-N 3.2Å; R66-E69 PolarHBondContact O-N 3.43Å; G67-E69 VanDerWaalsContact C-N 3.3Å; G67-E69 PolarHBondContact O-N 3.31Å; E69-K72 IonicContact OE1-NZ 3.18Å; E69-K72 WeakPolarHBondContact OE2-CD 3.45Å; E69-K72 IonicContact OE2-NZ 4Å; E69-K72 PolarHBondContact OE2-NZ 3.37Å; E69-R73 WeakPolarHBondContact O-CD 3.46Å; E69-R73 VanDerWaalsContact O-CG 3.25Å; E69-R73 WeakPolarHBondContact O-CG 3.49Å; E69-R73 PolarHBondContact O-N 2.89Å; E69-R73 PolarHBondContact O-NE 3.44Å; E69-R73 IonicContact OE1-CZ 3.22Å; E69-R73 VanDerWaalsContact OE1-CZ 3.24Å; E69-R73 IonicContact OE1-NE 3.84Å; E69-R73 PolarHBondContact OE1-NE 3.38Å; E69-R73 IonicContact OE1-NH2 3.93Å; E69-R73 PolarHBondContact OE1-NH2 2.8Å |
| 70 | T | 96.3 | Very high | 96.6 | Very high | 79 Ų | 79 | 90 Ų | 90 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.4 | -41.4 | 169.8 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | R66 G67 R73 T74 | R66-T70 PolarHBondContact O-N 2.86Å; R66-T70 PolarHBondContact O-OG1 3.11Å; R66-T70 VanDerWaalsContact O-OG1 3.12Å; G67-T70 WeakPolarHBondContact CA-OG1 3.43Å; G67-T70 WeakPolarHBondContact O-CA 3.49Å; G67-T70 PolarHBondContact O-N 2.91Å; G67-T70 PolarHBondContact O-OG1 2.94Å; T70-R73 WeakPolarHBondContact O-CB 3.45Å; T70-R73 PolarHBondContact O-N 2.89Å; T70-R73 VanDerWaalsContact O-N 3.17Å; T70-T74 PolarHBondContact O-N 3.36Å; T70-T74 PolarHBondContact O-OG1 3.44Å |
| 71 | E | 96.6 | Very high | 96.7 | Very high | 114 Ų | 114 | 89.8 Ų | 89.8 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.5 | -70.9 | 171.6 | 178.1 | 0 | 0 | 111.4 | G67 V68 R73 T74 L75 | G67-E71 WeakPolarHBondContact O-CG 3.28Å; G67-E71 PolarHBondContact O-N 2.93Å; V68-E71 PolarHBondContact O-N 3.4Å; E71-R73 PolarHBondContact O-N 2.89Å; E71-T74 PolarHBondContact O-N 3.49Å; E71-T74 PolarHBondContact O-OG1 3.07Å; E71-T74 VanDerWaalsContact O-OG1 3.06Å; E71-L75 VanDerWaalsContact O-CB 3.28Å; E71-L75 WeakPolarHBondContact O-CB 3.35Å; E71-L75 WeakPolarHBondContact O-CG 3.5Å; E71-L75 PolarHBondContact O-N 2.76Å |
| 72 | K | 96.7 | Very high | 96.7 | Very high | 124 Ų | 124 | 86.9 Ų | 86.9 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.4 | -37.3 | 174.2 | 172.9 | -177.4 | 148.5 | -149.7 | 0 | 112.5 | V68 E69 S76 | V68-K72 WeakPolarHBondContact O-CB 3.48Å; V68-K72 PolarHBondContact O-N 3.41Å; E69-K72 IonicContact OE1-NZ 3.18Å; E69-K72 WeakPolarHBondContact OE2-CD 3.45Å; E69-K72 IonicContact OE2-NZ 4Å; E69-K72 PolarHBondContact OE2-NZ 3.37Å; K72-S76 WeakPolarHBondContact O-CB 3.23Å; K72-S76 PolarHBondContact O-N 2.9Å |
| 73 | R | 97.2 | Very high | 96.7 | Very high | 134 Ų | 134 | 91.4 Ų | 91.4 | 51% | 0.506 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.6 | -50.3 | 176.9 | -71 | 165.6 | -167 | -168.2 | 1.9 | 111.5 | E69 T70 E71 L75 S76 E77 | E69-R73 WeakPolarHBondContact O-CD 3.46Å; E69-R73 VanDerWaalsContact O-CG 3.25Å; E69-R73 WeakPolarHBondContact O-CG 3.49Å; E69-R73 PolarHBondContact O-N 2.89Å; E69-R73 PolarHBondContact O-NE 3.44Å; E69-R73 IonicContact OE1-CZ 3.22Å; E69-R73 VanDerWaalsContact OE1-CZ 3.24Å; E69-R73 IonicContact OE1-NE 3.84Å; E69-R73 PolarHBondContact OE1-NE 3.38Å; E69-R73 IonicContact OE1-NH2 3.93Å; E69-R73 PolarHBondContact OE1-NH2 2.8Å; T70-R73 WeakPolarHBondContact O-CB 3.45Å; T70-R73 PolarHBondContact O-N 2.89Å; T70-R73 VanDerWaalsContact O-N 3.17Å; E71-R73 PolarHBondContact O-N 2.89Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 PolarHBondContact O-N 2.89Å; R73-S76 WeakPolarHBondContact O-CB 3.4Å; R73-S76 PolarHBondContact O-N 3.22Å; R73-S76 VanDerWaalsContact O-N 3.08Å; R73-E77 WeakPolarHBondContact O-CG 3.4Å; R73-E77 PolarHBondContact O-N 3.06Å |
| 74 | T | 96.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 95 Ų | 95 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -34.4 | 178.8 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | T70 E71 S78 | T70-T74 PolarHBondContact O-N 3.36Å; T70-T74 PolarHBondContact O-OG1 3.44Å; E71-T74 PolarHBondContact O-N 3.49Å; E71-T74 PolarHBondContact O-OG1 3.07Å; E71-T74 VanDerWaalsContact O-OG1 3.06Å; T74-S78 WeakPolarHBondContact O-CB 3.44Å; T74-S78 PolarHBondContact O-N 2.89Å |
| 75 | L | 96.8 | Very high | 96.9 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.6 | -39.6 | 171.5 | -71.4 | 171.7 | 0 | 0 | 0 | 112.4 | E71 R73 L79 | E71-L75 VanDerWaalsContact O-CB 3.28Å; E71-L75 WeakPolarHBondContact O-CB 3.35Å; E71-L75 WeakPolarHBondContact O-CG 3.5Å; E71-L75 PolarHBondContact O-N 2.76Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 PolarHBondContact O-N 2.89Å; L75-L79 VanDerWaalsContact O-CB 3.32Å; L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 PolarHBondContact O-N 3.06Å |
| 76 | S | 96.9 | Very high | 97 | Very high | 61 Ų | 61 | 94.9 Ų | 94.9 | 43% | 0.427 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 174.3 | -163.7 | 0 | 0 | 0 | 0 | 111.7 | K72 R73 S78 L79 D80 | K72-S76 WeakPolarHBondContact O-CB 3.23Å; K72-S76 PolarHBondContact O-N 2.9Å; R73-S76 WeakPolarHBondContact O-CB 3.4Å; R73-S76 PolarHBondContact O-N 3.22Å; R73-S76 VanDerWaalsContact O-N 3.08Å; S76-S78 VanDerWaalsContact C-N 3.33Å; S76-S78 PolarHBondContact O-N 2.94Å; S76-L79 PolarHBondContact O-N 3.39Å; S76-D80 PolarHBondContact O-N 3.22Å |
| 77 | E | 96.8 | Very high | 97 | Very high | 125 Ų | 125 | 91.2 Ų | 91.2 | 58% | 0.584 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 176.5 | -71.4 | 167.5 | -166.4 | 0 | 0 | 111.6 | R73 D80 A81 | R73-E77 WeakPolarHBondContact O-CG 3.4Å; R73-E77 PolarHBondContact O-N 3.06Å; E77-D80 PolarHBondContact O-N 3Å; E77-A81 WeakPolarHBondContact O-CB 3.38Å; E77-A81 PolarHBondContact O-N 2.86Å |
| 78 | S | 97.1 | Very high | 97.1 | Very high | 69 Ų | 69 | 92.3 Ų | 92.3 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | T74 S76 A81 S82 | T74-S78 WeakPolarHBondContact O-CB 3.44Å; T74-S78 PolarHBondContact O-N 2.89Å; S76-S78 VanDerWaalsContact C-N 3.33Å; S76-S78 PolarHBondContact O-N 2.94Å; S78-A81 PolarHBondContact O-N 3.09Å; S78-S82 VanDerWaalsContact O-CB 3.31Å; S78-S82 WeakPolarHBondContact O-CB 3.42Å; S78-S82 PolarHBondContact O-N 3.3Å; S78-S82 PolarHBondContact O-OG 3.05Å |
| 79 | L | 97.6 | Very high | 97.1 | Very high | 106 Ų | 106 | 90.5 Ų | 90.5 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 174.5 | -179.3 | 62.4 | 0 | 0 | 0 | 111.6 | L75 S76 S82 R83 | L75-L79 VanDerWaalsContact O-CB 3.32Å; L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 PolarHBondContact O-N 3.06Å; S76-L79 PolarHBondContact O-N 3.39Å; L79-S82 WeakPolarHBondContact O-CB 3.48Å; L79-S82 PolarHBondContact O-N 2.83Å; L79-R83 WeakPolarHBondContact O-CB 3.46Å; L79-R83 PolarHBondContact O-N 3.39Å |
| 80 | D | 97.4 | Very high | 97.1 | Very high | 64 Ų | 64 | 96.1 Ų | 96.1 | 34% | 0.342 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -77.7 | -25.3 | 178.6 | -74 | -36 | 0 | 0 | 0 | 113.2 | S76 E77 R83 R84 | S76-D80 PolarHBondContact O-N 3.22Å; E77-D80 PolarHBondContact O-N 3Å; D80-R83 IonicContact OD1-NE 2.64Å; D80-R83 PolarHBondContact OD1-NE 2.93Å; D80-R83 IonicContact OD1-NH2 3.15Å; D80-R84 VanDerWaalsContact O-CG 3.32Å; D80-R84 WeakPolarHBondContact O-CG 3.48Å; D80-R84 PolarHBondContact O-N 3.04Å; D80-R84 PolarHBondContact O-NE 2.86Å |
| 81 | A | 97.4 | Very high | 97.2 | Very high | 40 Ų | 40 | 99.5 Ų | 99.5 | 33% | 0.331 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E77 S78 R83 R84 V85 | E77-A81 WeakPolarHBondContact O-CB 3.38Å; E77-A81 PolarHBondContact O-N 2.86Å; S78-A81 PolarHBondContact O-N 3.09Å; A81-R83 PolarHBondContact O-N 3.29Å; A81-R84 PolarHBondContact O-N 2.84Å; A81-R84 VanDerWaalsContact O-N 3.16Å; A81-V85 WeakPolarHBondContact O-CG2 3.49Å; A81-V85 PolarHBondContact O-N 3.21Å |
| 82 | S | 96.1 | Very high | 97.2 | Very high | 57 Ų | 57 | 100.1 Ų | 100.1 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 178.2 | -60 | 0 | 0 | 0 | 0 | 112.2 | S78 L79 R84 V85 I86 | S78-S82 VanDerWaalsContact O-CB 3.31Å; S78-S82 WeakPolarHBondContact O-CB 3.42Å; S78-S82 PolarHBondContact O-N 3.3Å; S78-S82 PolarHBondContact O-OG 3.05Å; L79-S82 WeakPolarHBondContact O-CB 3.48Å; L79-S82 PolarHBondContact O-N 2.83Å; S82-R84 PolarHBondContact O-N 3.23Å; S82-V85 PolarHBondContact O-N 3.3Å; S82-I86 VanDerWaalsContact O-CG1 3.31Å; S82-I86 WeakPolarHBondContact O-CG1 3.18Å; S82-I86 PolarHBondContact O-N 3.33Å |
| 83 | R | 97.7 | Very high | 97.2 | Very high | 131 Ų | 131 | 96.9 Ų | 96.9 | 49% | 0.494 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 172.6 | -175.5 | -168.1 | -61.8 | -84.5 | -1.3 | 111.3 | L79 D80 A81 V85 I86 E87 | L79-R83 WeakPolarHBondContact O-CB 3.46Å; L79-R83 PolarHBondContact O-N 3.39Å; D80-R83 IonicContact OD1-NE 2.64Å; D80-R83 PolarHBondContact OD1-NE 2.93Å; D80-R83 IonicContact OD1-NH2 3.15Å; A81-R83 PolarHBondContact O-N 3.29Å; R83-V85 VanDerWaalsContact C-N 3.33Å; R83-V85 PolarHBondContact O-N 2.85Å; R83-I86 PolarHBondContact O-N 3.03Å; R83-E87 WeakPolarHBondContact O-CG 3.49Å; R83-E87 PolarHBondContact O-N 2.92Å |
| 84 | R | 97.9 | Very high | 97.2 | Very high | 161 Ų | 161 | 92.9 Ų | 92.9 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.1 | -39.4 | 178.8 | -76.7 | 174.5 | -73.8 | 173.7 | -2.3 | 112.2 | D80 A81 S82 E87 A88 | D80-R84 VanDerWaalsContact O-CG 3.32Å; D80-R84 WeakPolarHBondContact O-CG 3.48Å; D80-R84 PolarHBondContact O-N 3.04Å; D80-R84 PolarHBondContact O-NE 2.86Å; A81-R84 PolarHBondContact O-N 2.84Å; A81-R84 VanDerWaalsContact O-N 3.16Å; S82-R84 PolarHBondContact O-N 3.23Å; R84-E87 PolarHBondContact O-N 3.3Å; R84-A88 WeakPolarHBondContact O-CB 3.34Å; R84-A88 PolarHBondContact O-N 3.02Å |
| 85 | V | 98.1 | Very high | 97.2 | Very high | 100 Ų | 100 | 92.4 Ų | 92.4 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | 174 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | A81 S82 R83 E87 A88 A89 | A81-V85 WeakPolarHBondContact O-CG2 3.49Å; A81-V85 PolarHBondContact O-N 3.21Å; S82-V85 PolarHBondContact O-N 3.3Å; R83-V85 VanDerWaalsContact C-N 3.33Å; R83-V85 PolarHBondContact O-N 2.85Å; V85-E87 VanDerWaalsContact C-N 3.33Å; V85-E87 PolarHBondContact O-N 2.79Å; V85-A88 PolarHBondContact O-N 3Å; V85-A89 PolarHBondContact O-N 2.9Å |
| 86 | I | 97.4 | Very high | 97.2 | Very high | 92 Ų | 92 | 90.4 Ų | 90.4 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 177.3 | -69.1 | 165.8 | 0 | 0 | 0 | 111.2 | S82 R83 R90 | S82-I86 VanDerWaalsContact O-CG1 3.31Å; S82-I86 WeakPolarHBondContact O-CG1 3.18Å; S82-I86 PolarHBondContact O-N 3.33Å; R83-I86 PolarHBondContact O-N 3.03Å; I86-R90 WeakPolarHBondContact O-CB 3.25Å; I86-R90 VanDerWaalsContact O-CG 3.28Å; I86-R90 WeakPolarHBondContact O-CG 3.46Å; I86-R90 PolarHBondContact O-N 3.01Å |
| 87 | E | 97.6 | Very high | 97.2 | Very high | 71 Ų | 71 | 92.7 Ų | 92.7 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.5 | -36.3 | 175.4 | -68.8 | -179.8 | -159 | 0 | 0 | 113.1 | R83 R84 V85 R90 R91 | R83-E87 WeakPolarHBondContact O-CG 3.49Å; R83-E87 PolarHBondContact O-N 2.92Å; R84-E87 PolarHBondContact O-N 3.3Å; V85-E87 VanDerWaalsContact C-N 3.33Å; V85-E87 PolarHBondContact O-N 2.79Å; E87-R90 PolarHBondContact O-N 3.47Å; E87-R91 VanDerWaalsContact CB-NH1 3.26Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.24Å; E87-R91 PolarHBondContact O-N 3.49Å; E87-R91 IonicContact OE2-CZ 3.15Å; E87-R91 IonicContact OE2-NH1 2.72Å; E87-R91 PolarHBondContact OE2-NH1 3.47Å; E87-R91 IonicContact OE2-NH2 2.67Å; E87-R91 PolarHBondContact OE2-NH2 3.44Å |
| 88 | A | 97.4 | Very high | 97.2 | Very high | 51 Ų | 51 | 93.2 Ų | 93.2 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | R84 V85 R90 R91 E92 | R84-A88 WeakPolarHBondContact O-CB 3.34Å; R84-A88 PolarHBondContact O-N 3.02Å; V85-A88 PolarHBondContact O-N 3Å; A88-R90 VanDerWaalsContact C-N 3.31Å; A88-R90 PolarHBondContact O-N 3.38Å; A88-R91 WeakPolarHBondContact O-CB 3.42Å; A88-R91 PolarHBondContact O-N 3.18Å; A88-R91 VanDerWaalsContact O-N 3.12Å; A88-E92 PolarHBondContact O-N 3.11Å |
| 89 | A | 96.7 | Very high | 97.1 | Very high | 55 Ų | 55 | 97.9 Ų | 97.9 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | V85 E92 S93 | V85-A89 PolarHBondContact O-N 2.9Å; A89-E92 PolarHBondContact O-N 2.94Å; A89-S93 WeakPolarHBondContact O-CB 3.45Å; A89-S93 PolarHBondContact O-N 3.37Å |
| 90 | R | 97.6 | Very high | 97.1 | Very high | 180 Ų | 180 | 96.5 Ų | 96.5 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -40.3 | 173.1 | -76.1 | 172.8 | 178.5 | -167.7 | -0.6 | 112.8 | I86 E87 A88 C94 | I86-R90 WeakPolarHBondContact O-CB 3.25Å; I86-R90 VanDerWaalsContact O-CG 3.28Å; I86-R90 WeakPolarHBondContact O-CG 3.46Å; I86-R90 PolarHBondContact O-N 3.01Å; E87-R90 PolarHBondContact O-N 3.47Å; A88-R90 VanDerWaalsContact C-N 3.31Å; A88-R90 PolarHBondContact O-N 3.38Å; R90-C94 WeakPolarHBondContact O-CB 3.33Å; R90-C94 PolarHBondContact O-N 3.31Å; R90-C94 VanDerWaalsContact O-N 3.11Å |
| 91 | R | 97.2 | Very high | 97.1 | Very high | 150 Ų | 150 | 97.5 Ų | 97.5 | 57% | 0.566 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 174.6 | -69.8 | 169 | -170.7 | 112.6 | 7.8 | 110.5 | E87 A88 C94 C95 | E87-R91 VanDerWaalsContact CB-NH1 3.26Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.24Å; E87-R91 PolarHBondContact O-N 3.49Å; E87-R91 IonicContact OE2-CZ 3.15Å; E87-R91 IonicContact OE2-NH1 2.72Å; E87-R91 PolarHBondContact OE2-NH1 3.47Å; E87-R91 IonicContact OE2-NH2 2.67Å; E87-R91 PolarHBondContact OE2-NH2 3.44Å; A88-R91 WeakPolarHBondContact O-CB 3.42Å; A88-R91 PolarHBondContact O-N 3.18Å; A88-R91 VanDerWaalsContact O-N 3.12Å; R91-C94 PolarHBondContact O-N 2.96Å; R91-C95 PolarHBondContact O-N 3.22Å; R91-C95 VanDerWaalsContact O-N 3.07Å; R91-C95 PolarHBondContact O-SG 2.91Å |
| 92 | E | 97.2 | Very high | 97 | Very high | 126 Ų | 126 | 100.1 Ų | 100.1 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -47.1 | 176.2 | -174.5 | 169.7 | -163.7 | 0 | 0 | 112.4 | A88 A89 C94 C95 L96 | A88-E92 PolarHBondContact O-N 3.11Å; A89-E92 PolarHBondContact O-N 2.94Å; E92-C94 VanDerWaalsContact C-N 3.34Å; E92-C94 PolarHBondContact O-N 3.16Å; E92-C95 CarbonylContact O-C 3.6Å; E92-C95 WeakPolarHBondContact O-CA 3.36Å; E92-C95 WeakPolarHBondContact O-CB 3.27Å; E92-C95 PolarHBondContact O-N 2.96Å; E92-L96 HydrophobicContact CG-CD1 4.06Å; E92-L96 HydrophobicContact CG-CG 4.33Å; E92-L96 WeakPolarHBondContact O-CG 3.47Å; E92-L96 PolarHBondContact O-N 3.12Å |
| 93 | S | 95.9 | Very high | 97 | Very high | 56 Ų | 56 | 101.4 Ų | 101.4 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.1 | -49.5 | 174.7 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | A89 C95 L96 E97 | A89-S93 WeakPolarHBondContact O-CB 3.45Å; A89-S93 PolarHBondContact O-N 3.37Å; S93-C95 VanDerWaalsContact C-N 3.26Å; S93-C95 PolarHBondContact O-N 3.06Å; S93-L96 PolarHBondContact O-N 3.36Å; S93-E97 VanDerWaalsContact C-OE1 3.24Å; S93-E97 WeakPolarHBondContact CB-OE1 3.33Å; S93-E97 WeakPolarHBondContact O-CB 3.47Å; S93-E97 VanDerWaalsContact O-CG 3.24Å; S93-E97 WeakPolarHBondContact O-CG 3.18Å; S93-E97 PolarHBondContact O-N 3.26Å; S93-E97 PolarHBondContact OG-OE1 2.91Å |
| 94 | C | 96.9 | Very high | 96.9 | Very high | 50 Ų | 50 | 99.5 Ų | 99.5 | 34% | 0.338 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -33 | 177.5 | -172 | 0 | 0 | 0 | 0 | 113 | R90 R91 E92 K98 | R90-C94 WeakPolarHBondContact O-CB 3.33Å; R90-C94 PolarHBondContact O-N 3.31Å; R90-C94 VanDerWaalsContact O-N 3.11Å; R91-C94 PolarHBondContact O-N 2.96Å; E92-C94 VanDerWaalsContact C-N 3.34Å; E92-C94 PolarHBondContact O-N 3.16Å; C94-K98 WeakPolarHBondContact O-CD 3.39Å; C94-K98 VanDerWaalsContact O-CG 3.24Å; C94-K98 WeakPolarHBondContact O-CG 3.15Å; C94-K98 PolarHBondContact O-N 3.4Å; C94-K98 VanDerWaalsContact SG-CE 3.52Å; C94-K98 PolarHBondContact SG-NZ 3.21Å; C94-K98 VanDerWaalsContact SG-NZ 3.4Å |
| 95 | C | 96.7 | Very high | 96.8 | Very high | 74 Ų | 74 | 94.6 Ų | 94.6 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.6 | -38.3 | 172.9 | -75.7 | 0 | 0 | 0 | 0 | 112.6 | R91 E92 S93 R99 | R91-C95 PolarHBondContact O-N 3.22Å; R91-C95 VanDerWaalsContact O-N 3.07Å; R91-C95 PolarHBondContact O-SG 2.91Å; E92-C95 CarbonylContact O-C 3.6Å; E92-C95 WeakPolarHBondContact O-CA 3.36Å; E92-C95 WeakPolarHBondContact O-CB 3.27Å; E92-C95 PolarHBondContact O-N 2.96Å; S93-C95 VanDerWaalsContact C-N 3.26Å; S93-C95 PolarHBondContact O-N 3.06Å; C95-R99 WeakPolarHBondContact O-CG 3.26Å; C95-R99 PolarHBondContact O-N 3.17Å; C95-R99 VanDerWaalsContact O-N 3.13Å |
| 96 | L | 96.9 | Very high | 96.7 | Very high | 80 Ų | 80 | 95.9 Ų | 95.9 | 42% | 0.419 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.2 | -43.2 | 176.2 | -68.3 | 173.8 | 0 | 0 | 0 | 111.7 | E92 S93 K98 R99 V100 | E92-L96 HydrophobicContact CG-CD1 4.06Å; E92-L96 HydrophobicContact CG-CG 4.33Å; E92-L96 WeakPolarHBondContact O-CG 3.47Å; E92-L96 PolarHBondContact O-N 3.12Å; S93-L96 PolarHBondContact O-N 3.36Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.12Å; L96-R99 PolarHBondContact O-N 3.47Å; L96-R99 VanDerWaalsContact O-N 3.16Å; L96-V100 WeakPolarHBondContact O-CB 3.13Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 3.01Å |
| 97 | E | 96.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 93.5 Ų | 93.5 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -55.5 | -46.1 | 173.9 | -72.3 | 154.6 | -140.7 | 0 | 0 | 111.7 | S93 V100 E101 | S93-E97 VanDerWaalsContact C-OE1 3.24Å; S93-E97 WeakPolarHBondContact CB-OE1 3.33Å; S93-E97 WeakPolarHBondContact O-CB 3.47Å; S93-E97 VanDerWaalsContact O-CG 3.24Å; S93-E97 WeakPolarHBondContact O-CG 3.18Å; S93-E97 PolarHBondContact O-N 3.26Å; S93-E97 PolarHBondContact OG-OE1 2.91Å; E97-V100 PolarHBondContact O-N 3.27Å; E97-E101 PolarHBondContact O-N 2.85Å |
| 98 | K | 96.9 | Very high | 96.6 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 59% | 0.591 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61 | -45.6 | 174.9 | -73.8 | 167.4 | -169 | 168.2 | 0 | 112.1 | C94 L96 V100 E101 E102 | C94-K98 WeakPolarHBondContact O-CD 3.39Å; C94-K98 VanDerWaalsContact O-CG 3.24Å; C94-K98 WeakPolarHBondContact O-CG 3.15Å; C94-K98 PolarHBondContact O-N 3.4Å; C94-K98 VanDerWaalsContact SG-CE 3.52Å; C94-K98 PolarHBondContact SG-NZ 3.21Å; C94-K98 VanDerWaalsContact SG-NZ 3.4Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.12Å; K98-V100 VanDerWaalsContact C-N 3.3Å; K98-V100 PolarHBondContact O-N 3.32Å; K98-E101 PolarHBondContact O-N 3.18Å; K98-E102 WeakPolarHBondContact O-CB 3.41Å; K98-E102 PolarHBondContact O-N 2.87Å |
| 99 | R | 96.7 | Very high | 96.5 | Very high | 167 Ų | 167 | 96.2 Ų | 96.2 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -34.5 | 175.9 | -72.3 | 175 | 67.2 | -165.1 | -0 | 112.5 | C95 L96 C103 | C95-R99 WeakPolarHBondContact O-CG 3.26Å; C95-R99 PolarHBondContact O-N 3.17Å; C95-R99 VanDerWaalsContact O-N 3.13Å; L96-R99 PolarHBondContact O-N 3.47Å; L96-R99 VanDerWaalsContact O-N 3.16Å; R99-C103 VanDerWaalsContact O-CB 3.26Å; R99-C103 WeakPolarHBondContact O-CB 3.47Å; R99-C103 PolarHBondContact O-N 2.98Å |
| 100 | V | 96.9 | Very high | 96.4 | Very high | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 176.4 | 163.9 | 0 | 0 | 0 | 0 | 111.2 | L96 E97 K98 C103 K104 | L96-V100 WeakPolarHBondContact O-CB 3.13Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 3.01Å; E97-V100 PolarHBondContact O-N 3.27Å; K98-V100 VanDerWaalsContact C-N 3.3Å; K98-V100 PolarHBondContact O-N 3.32Å; V100-C103 WeakPolarHBondContact O-CB 3.39Å; V100-C103 PolarHBondContact O-N 3.29Å; V100-K104 WeakPolarHBondContact O-CG 3.47Å; V100-K104 PolarHBondContact O-N 3.25Å |
| 101 | E | 96.3 | Very high | 96.3 | Very high | 85 Ų | 85 | 93.3 Ų | 93.3 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.9 | -34.2 | 177.6 | -158.9 | 60.9 | -137.3 | 0 | 0 | 112.1 | E97 K98 C103 K104 S105 R108 | E97-E101 PolarHBondContact O-N 2.85Å; K98-E101 PolarHBondContact O-N 3.18Å; E101-C103 VanDerWaalsContact C-N 3.32Å; E101-C103 PolarHBondContact O-N 3.09Å; E101-K104 PolarHBondContact O-N 2.92Å; E101-K104 VanDerWaalsContact OE2-CD 3.28Å; E101-K104 WeakPolarHBondContact OE2-CD 3.12Å; E101-K104 IonicContact OE2-NZ 2.69Å; E101-K104 PolarHBondContact OE2-NZ 3.32Å; E101-S105 PolarHBondContact O-N 3.09Å; E101-S105 PolarHBondContact O-OG 3.35Å; E101-R108 IonicContact OE1-NH1 3.21Å; E101-R108 PolarHBondContact OE1-NH1 3.47Å |
| 102 | E | 96.4 | Very high | 96.2 | Very high | 95 Ų | 95 | 90.1 Ų | 90.1 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 167.9 | -165.8 | -164.3 | 155.8 | 0 | 0 | 110.9 | K98 S105 K106 | K98-E102 WeakPolarHBondContact O-CB 3.41Å; K98-E102 PolarHBondContact O-N 2.87Å; E102-S105 PolarHBondContact O-N 2.98Å; E102-S105 PolarHBondContact O-OG 2.95Å; E102-K106 HydrophobicContact CG-CD 4.35Å; E102-K106 WeakPolarHBondContact O-CB 3.47Å; E102-K106 WeakPolarHBondContact O-CG 3.42Å; E102-K106 PolarHBondContact O-N 3.31Å; E102-K106 WeakPolarHBondContact OE1-CE 3.33Å; E102-K106 IonicContact OE1-NZ 2.66Å; E102-K106 PolarHBondContact OE1-NZ 2.82Å |
| 103 | C | 95.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 91 Ų | 91 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 176.7 | -166 | 0 | 0 | 0 | 0 | 112.6 | R99 V100 E101 K106 A107 | R99-C103 VanDerWaalsContact O-CB 3.26Å; R99-C103 WeakPolarHBondContact O-CB 3.47Å; R99-C103 PolarHBondContact O-N 2.98Å; V100-C103 WeakPolarHBondContact O-CB 3.39Å; V100-C103 PolarHBondContact O-N 3.29Å; E101-C103 VanDerWaalsContact C-N 3.32Å; E101-C103 PolarHBondContact O-N 3.09Å; C103-K106 PolarHBondContact O-N 3.08Å; C103-A107 WeakPolarHBondContact O-CB 3.47Å; C103-A107 PolarHBondContact O-N 2.69Å |
| 104 | K | 96.3 | Very high | 96 | Very high | 92 Ų | 92 | 92.7 Ų | 92.7 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.1 | -69.9 | 173.7 | -160 | 159 | 0 | 112.2 | V100 E101 K106 A107 R108 | V100-K104 WeakPolarHBondContact O-CG 3.47Å; V100-K104 PolarHBondContact O-N 3.25Å; E101-K104 PolarHBondContact O-N 2.92Å; E101-K104 VanDerWaalsContact OE2-CD 3.28Å; E101-K104 WeakPolarHBondContact OE2-CD 3.12Å; E101-K104 IonicContact OE2-NZ 2.69Å; E101-K104 PolarHBondContact OE2-NZ 3.32Å; K104-K106 VanDerWaalsContact C-N 3.33Å; K104-A107 PolarHBondContact O-N 2.69Å; K104-R108 WeakPolarHBondContact O-CB 3.39Å; K104-R108 WeakPolarHBondContact O-CG 3.18Å; K104-R108 PolarHBondContact O-N 2.94Å |
| 105 | S | 95.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 94.9 Ų | 94.9 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | E101 E102 A109 | E101-S105 PolarHBondContact O-N 3.09Å; E101-S105 PolarHBondContact O-OG 3.35Å; E102-S105 PolarHBondContact O-N 2.98Å; E102-S105 PolarHBondContact O-OG 2.95Å; S105-A109 WeakPolarHBondContact O-CB 3.49Å; S105-A109 PolarHBondContact O-N 3.02Å |
| 106 | K | 96.1 | Very high | 95.7 | Very high | 127 Ų | 127 | 98.8 Ų | 98.8 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 171.5 | -76.3 | 171.7 | 169.5 | 175.2 | 0 | 112.7 | E102 C103 K104 A109 A110 | E102-K106 HydrophobicContact CG-CD 4.35Å; E102-K106 WeakPolarHBondContact O-CB 3.47Å; E102-K106 WeakPolarHBondContact O-CG 3.42Å; E102-K106 PolarHBondContact O-N 3.31Å; E102-K106 WeakPolarHBondContact OE1-CE 3.33Å; E102-K106 IonicContact OE1-NZ 2.66Å; E102-K106 PolarHBondContact OE1-NZ 2.82Å; C103-K106 PolarHBondContact O-N 3.08Å; K104-K106 VanDerWaalsContact C-N 3.33Å; K106-A109 PolarHBondContact O-N 3.32Å; K106-A110 PolarHBondContact O-N 2.96Å |
| 107 | A | 95.7 | Very high | 95.6 | Very high | 42 Ų | 42 | 101.2 Ų | 101.2 | 35% | 0.347 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -53.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | C103 K104 A109 A110 E111 | C103-A107 WeakPolarHBondContact O-CB 3.47Å; C103-A107 PolarHBondContact O-N 2.69Å; K104-A107 PolarHBondContact O-N 2.69Å; A107-A109 VanDerWaalsContact C-N 3.25Å; A107-A109 PolarHBondContact O-N 2.97Å; A107-A110 CarbonylContact O-C 3.55Å; A107-A110 WeakPolarHBondContact O-CA 3.35Å; A107-A110 WeakPolarHBondContact O-CB 3.42Å; A107-A110 PolarHBondContact O-N 2.92Å; A107-E111 WeakPolarHBondContact O-CG 3.31Å; A107-E111 PolarHBondContact O-N 3.26Å |
| 108 | R | 96.2 | Very high | 95.4 | Very high | 132 Ų | 132 | 96.8 Ų | 96.8 | 50% | 0.498 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.3 | -39.9 | 174.1 | -69.4 | 169.3 | 178.9 | 145.3 | -2.4 | 112.6 | E101 K104 A110 E111 L112 | E101-R108 IonicContact OE1-NH1 3.21Å; E101-R108 PolarHBondContact OE1-NH1 3.47Å; K104-R108 WeakPolarHBondContact O-CB 3.39Å; K104-R108 WeakPolarHBondContact O-CG 3.18Å; K104-R108 PolarHBondContact O-N 2.94Å; R108-A110 VanDerWaalsContact C-N 3.29Å; R108-A110 PolarHBondContact O-N 2.89Å; R108-E111 WeakPolarHBondContact CA-OE2 3.34Å; R108-L112 WeakPolarHBondContact O-CB 3.42Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.43Å; R108-L112 PolarHBondContact O-N 2.81Å |
| 109 | A | 96.3 | Very high | 95.1 | Very high | 46 Ų | 46 | 94.2 Ų | 94.2 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.8 | -17.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | S105 K106 A107 K113 | S105-A109 WeakPolarHBondContact O-CB 3.49Å; S105-A109 PolarHBondContact O-N 3.02Å; K106-A109 PolarHBondContact O-N 3.32Å; A107-A109 VanDerWaalsContact C-N 3.25Å; A107-A109 PolarHBondContact O-N 2.97Å; A109-K113 VanDerWaalsContact O-CD 3.27Å; A109-K113 WeakPolarHBondContact O-CD 3.32Å; A109-K113 VanDerWaalsContact O-CG 3.23Å; A109-K113 WeakPolarHBondContact O-CG 3.15Å |
| 110 | A | 95 | Very high | 94.9 | Very high | 57 Ų | 57 | 93.4 Ų | 93.4 | 47% | 0.471 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -86.6 | -43.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K106 A107 R108 L112 K113 L114 | K106-A110 PolarHBondContact O-N 2.96Å; A107-A110 CarbonylContact O-C 3.55Å; A107-A110 WeakPolarHBondContact O-CA 3.35Å; A107-A110 WeakPolarHBondContact O-CB 3.42Å; A107-A110 PolarHBondContact O-N 2.92Å; R108-A110 VanDerWaalsContact C-N 3.29Å; R108-A110 PolarHBondContact O-N 2.89Å; A110-L112 PolarHBondContact O-N 3.27Å; A110-K113 WeakPolarHBondContact O-CA 3.39Å; A110-K113 WeakPolarHBondContact O-CB 3.14Å; A110-K113 PolarHBondContact O-N 3Å; A110-L114 PolarHBondContact O-N 3.37Å |
| 111 | E | 94.8 | Very high | 94.5 | Very high | 117 Ų | 117 | 91 Ų | 91 | 55% | 0.547 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -53.3 | -50.9 | 172.8 | -69.6 | 158.9 | -170.6 | 0 | 0 | 110.9 | A107 R108 K113 L114 Q115 | A107-E111 WeakPolarHBondContact O-CG 3.31Å; A107-E111 PolarHBondContact O-N 3.26Å; R108-E111 WeakPolarHBondContact CA-OE2 3.34Å; E111-K113 PolarHBondContact O-N 2.69Å; E111-L114 PolarHBondContact O-N 3.39Å; E111-Q115 WeakPolarHBondContact O-CB 3.31Å; E111-Q115 PolarHBondContact O-N 3.41Å |
| 112 | L | 95 | Very high | 94.2 | Very high | 84 Ų | 84 | 87.3 Ų | 87.3 | 44% | 0.44 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.5 | -19.5 | 176.3 | -70.5 | 172.1 | 0 | 0 | 0 | 114.3 | R108 A110 R116 | R108-L112 WeakPolarHBondContact O-CB 3.42Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.43Å; R108-L112 PolarHBondContact O-N 2.81Å; A110-L112 PolarHBondContact O-N 3.27Å; L112-R116 VanDerWaalsContact O-CD 3.25Å; L112-R116 WeakPolarHBondContact O-CD 3.48Å; L112-R116 WeakPolarHBondContact O-CG 3.48Å; L112-R116 PolarHBondContact O-NE 2.84Å |
| 113 | K | 95.9 | Very high | 93.8 | Very high | 145 Ų | 145 | 84.5 Ų | 84.5 | 63% | 0.63 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -82.9 | -41.5 | 172.1 | -75.3 | 170.4 | -174.1 | 177.5 | 0 | 111.1 | A109 A110 E111 R116 F117 | A109-K113 VanDerWaalsContact O-CD 3.27Å; A109-K113 WeakPolarHBondContact O-CD 3.32Å; A109-K113 VanDerWaalsContact O-CG 3.23Å; A109-K113 WeakPolarHBondContact O-CG 3.15Å; A110-K113 WeakPolarHBondContact O-CA 3.39Å; A110-K113 WeakPolarHBondContact O-CB 3.14Å; A110-K113 PolarHBondContact O-N 3Å; E111-K113 PolarHBondContact O-N 2.69Å; K113-R116 PolarHBondContact O-N 3.42Å; K113-F117 WeakPolarHBondContact O-CB 3.34Å; K113-F117 PolarHBondContact O-N 3.48Å |
| 114 | L | 93.9 | Very high | 93.4 | Very high | 90 Ų | 90 | 84.7 Ų | 84.7 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 175 | 177.8 | 59.7 | 0 | 0 | 0 | 110.6 | A110 E111 R116 F117 L118 | A110-L114 PolarHBondContact O-N 3.37Å; E111-L114 PolarHBondContact O-N 3.39Å; L114-R116 PolarHBondContact O-N 3.21Å; L114-F117 WeakPolarHBondContact O-CB 3.4Å; L114-F117 PolarHBondContact O-N 3.33Å; L114-F117 VanDerWaalsContact O-N 3.13Å; L114-L118 HydrophobicContact CD1-CD1 4.11Å; L114-L118 HydrophobicContact CD1-CG 4.16Å; L114-L118 HydrophobicContact CG-CD1 4Å; L114-L118 HydrophobicContact CG-CG 4.47Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.12Å |
| 115 | Q | 93.1 | Very high | 92.9 | Very high | 97 Ų | 97 | 80.8 Ų | 80.8 | 45% | 0.453 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.1 | -49.6 | 177.4 | -168.5 | -173.5 | -31.8 | 0 | 0 | 111.6 | E111 F117 L118 E119 | E111-Q115 WeakPolarHBondContact O-CB 3.31Å; E111-Q115 PolarHBondContact O-N 3.41Å; Q115-F117 VanDerWaalsContact C-N 3.26Å; Q115-F117 PolarHBondContact O-N 2.88Å; Q115-L118 PolarHBondContact O-N 3.31Å; Q115-L118 VanDerWaalsContact O-N 3.15Å; Q115-E119 HydrophobicContact CG-CG 4.45Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.4Å; Q115-E119 PolarHBondContact NE2-OE1 3.21Å; Q115-E119 WeakPolarHBondContact O-CB 3.29Å; Q115-E119 VanDerWaalsContact O-CG 3.27Å; Q115-E119 WeakPolarHBondContact O-CG 3.34Å; Q115-E119 PolarHBondContact O-N 3.35Å |
| 116 | R | 93.9 | Very high | 92.3 | Very high | 156 Ų | 156 | 81.7 Ų | 81.7 | 59% | 0.589 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62 | -30.8 | 176.1 | -70.5 | 170.8 | -168.1 | 150.4 | 3.4 | 113.9 | L112 K113 L114 E119 K120 | L112-R116 VanDerWaalsContact O-CD 3.25Å; L112-R116 WeakPolarHBondContact O-CD 3.48Å; L112-R116 WeakPolarHBondContact O-CG 3.48Å; L112-R116 PolarHBondContact O-NE 2.84Å; K113-R116 PolarHBondContact O-N 3.42Å; L114-R116 PolarHBondContact O-N 3.21Å; R116-E119 WeakPolarHBondContact CA-OE2 3.45Å; R116-K120 WeakPolarHBondContact O-CB 3.45Å; R116-K120 PolarHBondContact O-N 3.25Å; R116-K120 VanDerWaalsContact O-N 3.13Å |
| 117 | F | 94.1 | Very high | 91.4 | Very high | 130 Ų | 130 | 83 Ų | 83 | 57% | 0.57 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.8 | -47.4 | 173.7 | 172.7 | -98.7 | 0 | 0 | 0 | 110.7 | K113 L114 Q115 K120 V121 | K113-F117 WeakPolarHBondContact O-CB 3.34Å; K113-F117 PolarHBondContact O-N 3.48Å; L114-F117 WeakPolarHBondContact O-CB 3.4Å; L114-F117 PolarHBondContact O-N 3.33Å; L114-F117 VanDerWaalsContact O-N 3.13Å; Q115-F117 VanDerWaalsContact C-N 3.26Å; Q115-F117 PolarHBondContact O-N 2.88Å; F117-K120 PolarHBondContact O-N 3.47Å; F117-V121 HydrophobicContact CD1-CG2 4.43Å; F117-V121 HydrophobicContact CD2-CG2 4.34Å; F117-V121 HydrophobicContact CE1-CG2 4.02Å; F117-V121 HydrophobicContact CE2-CG2 3.91Å; F117-V121 HydrophobicContact CZ-CG2 3.74Å; F117-V121 WeakPolarHBondContact O-CG2 3.39Å; F117-V121 PolarHBondContact O-N 3.07Å |
| 118 | L | 93.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 87.1 Ų | 87.1 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.8 | -66.1 | 170.1 | 0 | 0 | 0 | 111.9 | L114 Q115 K120 V121 A122 P135 E137 V140 | L114-L118 HydrophobicContact CD1-CD1 4.11Å; L114-L118 HydrophobicContact CD1-CG 4.16Å; L114-L118 HydrophobicContact CG-CD1 4Å; L114-L118 HydrophobicContact CG-CG 4.47Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.12Å; Q115-L118 PolarHBondContact O-N 3.31Å; Q115-L118 VanDerWaalsContact O-N 3.15Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-K120 PolarHBondContact O-N 3.04Å; L118-V121 PolarHBondContact O-N 3.06Å; L118-A122 VanDerWaalsContact O-CB 3.23Å; L118-A122 WeakPolarHBondContact O-CB 3.23Å; L118-A122 PolarHBondContact O-N 3.45Å; L118-P135 HydrophobicContact CB-CB 4.22Å; L118-P135 VanDerWaalsContact CB-O 3.25Å; L118-P135 WeakPolarHBondContact CB-O 3.27Å; L118-P135 WeakPolarHBondContact CD1-O 3.41Å; L118-E137 HydrophobicContact CD1-CB 4.37Å; L118-E137 HydrophobicContact CD2-CB 4.33Å; L118-V140 HydrophobicContact CD2-CB 4.23Å; L118-V140 HydrophobicContact CD2-CG1 4.38Å; L118-V140 HydrophobicContact CD2-CG2 4.07Å |
| 119 | E | 90.7 | Very high | 88.7 | Confident | 82 Ų | 82 | 82.1 Ų | 82.1 | 38% | 0.383 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.9 | -46 | 171.9 | -73.6 | 164.7 | 177.6 | 0 | 0 | 111.6 | Q115 R116 G123 P135 | Q115-E119 HydrophobicContact CG-CG 4.45Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.4Å; Q115-E119 PolarHBondContact NE2-OE1 3.21Å; Q115-E119 WeakPolarHBondContact O-CB 3.29Å; Q115-E119 VanDerWaalsContact O-CG 3.27Å; Q115-E119 WeakPolarHBondContact O-CG 3.34Å; Q115-E119 PolarHBondContact O-N 3.35Å; R116-E119 WeakPolarHBondContact CA-OE2 3.45Å; E119-G123 PolarHBondContact O-N 3.13Å; E119-P135 HydrophobicContact CB-CB 4.45Å; E119-P135 HydrophobicContact CG-CB 3.92Å; E119-P135 HydrophobicContact CG-CG 3.99Å |
| 120 | K | 91.3 | Very high | 87.6 | Confident | 150 Ų | 150 | 89.7 Ų | 89.7 | 65% | 0.652 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.2 | -39.4 | 178.7 | -172.2 | 175.4 | -179.4 | 178.7 | 0 | 112.8 | R116 F117 L118 L124 | R116-K120 WeakPolarHBondContact O-CB 3.45Å; R116-K120 PolarHBondContact O-N 3.25Å; R116-K120 VanDerWaalsContact O-N 3.13Å; F117-K120 PolarHBondContact O-N 3.47Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-K120 PolarHBondContact O-N 3.04Å; K120-L124 HydrophobicContact CG-CD1 4.38Å; K120-L124 WeakPolarHBondContact O-CG 3.15Å; K120-L124 PolarHBondContact O-N 3.41Å |
| 121 | V | 89.4 | Confident | 86.2 | Confident | 28 Ų | 28 | 92.1 Ų | 92.1 | 17% | 0.17 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -70.9 | -39.6 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | F117 L118 L124 L125 V140 | F117-V121 HydrophobicContact CD1-CG2 4.43Å; F117-V121 HydrophobicContact CD2-CG2 4.34Å; F117-V121 HydrophobicContact CE1-CG2 4.02Å; F117-V121 HydrophobicContact CE2-CG2 3.91Å; F117-V121 HydrophobicContact CZ-CG2 3.74Å; F117-V121 WeakPolarHBondContact O-CG2 3.39Å; F117-V121 PolarHBondContact O-N 3.07Å; L118-V121 PolarHBondContact O-N 3.06Å; V121-L124 PolarHBondContact O-N 3.15Å; V121-L125 HydrophobicContact CG1-CD1 3.82Å; V121-L125 WeakPolarHBondContact O-CD1 3.42Å; V121-L125 WeakPolarHBondContact O-CG 3.49Å; V121-L125 PolarHBondContact O-N 2.91Å; V121-L125 VanDerWaalsContact O-N 3.14Å; V121-V140 HydrophobicContact CB-CG1 4.19Å; V121-V140 HydrophobicContact CG1-CG1 3.51Å |
| 122 | A | 89.4 | Confident | 85 | Confident | 6 Ų | 6 | 94.6 Ų | 94.6 | 5% | 0.05 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L118 L124 L125 Q126 F133 P135 V140 | L118-A122 VanDerWaalsContact O-CB 3.23Å; L118-A122 WeakPolarHBondContact O-CB 3.23Å; L118-A122 PolarHBondContact O-N 3.45Å; A122-L124 VanDerWaalsContact C-N 3.34Å; A122-L124 PolarHBondContact O-N 3.14Å; A122-L125 PolarHBondContact O-N 3.03Å; A122-Q126 WeakPolarHBondContact O-CB 3.46Å; A122-Q126 PolarHBondContact O-N 3.05Å; A122-F133 HydrophobicContact CB-CE2 3.95Å; A122-F133 HydrophobicContact CB-CZ 3.9Å; A122-P135 HydrophobicContact CB-CB 4.19Å; A122-V140 HydrophobicContact CB-CG2 4.31Å |
| 123 | G | 87.3 | Confident | 84.2 | Confident | 37 Ų | 37 | 92 Ų | 92 | 38% | 0.381 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E119 L125 Q126 E127 | E119-G123 PolarHBondContact O-N 3.13Å; G123-L125 VanDerWaalsContact C-N 3.26Å; G123-L125 PolarHBondContact O-N 3.28Å; G123-Q126 PolarHBondContact O-N 3.22Å; G123-E127 WeakPolarHBondContact O-CB 3.44Å; G123-E127 PolarHBondContact O-N 2.72Å |
| 124 | L | 87.6 | Confident | 83.6 | Confident | 87 Ų | 87 | 90.8 Ų | 90.8 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.7 | -18.9 | 177.6 | -72.5 | 169.2 | 0 | 0 | 0 | 114.4 | K120 V121 A122 | K120-L124 HydrophobicContact CG-CD1 4.38Å; K120-L124 WeakPolarHBondContact O-CG 3.15Å; K120-L124 PolarHBondContact O-N 3.41Å; V121-L124 PolarHBondContact O-N 3.15Å; A122-L124 VanDerWaalsContact C-N 3.34Å; A122-L124 PolarHBondContact O-N 3.14Å |
| 125 | L | 85.6 | Confident | 83.1 | Confident | 9 Ų | 9 | 88.8 Ų | 88.8 | 5% | 0.047 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -91.6 | -35 | 174.5 | -69.4 | 164 | 0 | 0 | 0 | 111.4 | V121 A122 G123 K128 T129 F133 V140 H143 L144 F147 | V121-L125 HydrophobicContact CG1-CD1 3.82Å; V121-L125 WeakPolarHBondContact O-CD1 3.42Å; V121-L125 WeakPolarHBondContact O-CG 3.49Å; V121-L125 PolarHBondContact O-N 2.91Å; V121-L125 VanDerWaalsContact O-N 3.14Å; A122-L125 PolarHBondContact O-N 3.03Å; G123-L125 VanDerWaalsContact C-N 3.26Å; G123-L125 PolarHBondContact O-N 3.28Å; L125-K128 CarbonylContact O-C 3.58Å; L125-K128 PolarHBondContact O-N 3.41Å; L125-T129 VanDerWaalsContact O-CB 3.28Å; L125-T129 WeakPolarHBondContact O-CB 3.22Å; L125-T129 PolarHBondContact O-N 3.48Å; L125-T129 VanDerWaalsContact O-N 3.09Å; L125-T129 PolarHBondContact O-OG1 3.34Å; L125-F133 HydrophobicContact CB-CE1 3.98Å; L125-F133 HydrophobicContact CB-CZ 3.86Å; L125-F133 HydrophobicContact CD1-CZ 3.94Å; L125-V140 HydrophobicContact CD1-CG1 4.41Å; L125-H143 HydrophobicContact CD1-CB 4.37Å; L125-L144 HydrophobicContact CD1-CD2 4.15Å; L125-L144 HydrophobicContact CD1-CG 3.92Å; L125-L144 HydrophobicContact CD2-CD2 3.91Å; L125-L144 HydrophobicContact CD2-CG 4.38Å; L125-F147 HydrophobicContact CD2-CB 4.37Å; L125-F147 HydrophobicContact CD2-CD1 4.41Å; L125-F147 HydrophobicContact CD2-CG 4.36Å |
| 126 | Q | 83.5 | Confident | 82.9 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.8 | -35.2 | 175.8 | -170.2 | -178.1 | -6.8 | 0 | 0 | 112.3 | A122 G123 K128 T129 E132 | A122-Q126 WeakPolarHBondContact O-CB 3.46Å; A122-Q126 PolarHBondContact O-N 3.05Å; G123-Q126 PolarHBondContact O-N 3.22Å; Q126-K128 PolarHBondContact O-N 3.11Å; Q126-T129 CarbonylContact C-O 3.56Å; Q126-T129 CarbonylContact O-C 3.59Å; Q126-T129 PolarHBondContact O-N 3.45Å; Q126-E132 VanDerWaalsContact NE2-CG 3.26Å |
| 127 | E | 77.1 | Confident | 82.7 | Confident | 154 Ų | 154 | 85.6 Ų | 85.6 | 72% | 0.72 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -22.1 | 169.3 | -174 | -179.8 | -153.8 | 0 | 0 | 112.5 | G123 | G123-E127 WeakPolarHBondContact O-CB 3.44Å; G123-E127 PolarHBondContact O-N 2.72Å |
| 128 | K | 70.4 | Confident | 82.6 | Confident | 128 Ų | 128 | 89.1 Ų | 89.1 | 56% | 0.557 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 1.8 | -179 | -58.7 | 175.4 | -171.5 | 171.2 | 0 | 113.5 | L125 Q126 F147 | L125-K128 CarbonylContact O-C 3.58Å; L125-K128 PolarHBondContact O-N 3.41Å; Q126-K128 PolarHBondContact O-N 3.11Å; K128-F147 HydrophobicContact CB-CE2 4.08Å; K128-F147 HydrophobicContact CD-CE2 3.97Å; K128-F147 HydrophobicContact CD-CZ 3.73Å |
| 129 | T | 65.3 | Low | 82.3 | Confident | 27 Ų | 27 | 90.7 Ų | 90.7 | 17% | 0.166 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -149.2 | 118.1 | -174.4 | -43.1 | 0 | 0 | 0 | 0 | 109.7 | L125 Q126 L131 | L125-T129 VanDerWaalsContact O-CB 3.28Å; L125-T129 WeakPolarHBondContact O-CB 3.22Å; L125-T129 PolarHBondContact O-N 3.48Å; L125-T129 VanDerWaalsContact O-N 3.09Å; L125-T129 PolarHBondContact O-OG1 3.34Å; Q126-T129 CarbonylContact C-O 3.56Å; Q126-T129 CarbonylContact O-C 3.59Å; Q126-T129 PolarHBondContact O-N 3.45Å; T129-L131 HydrophobicContact CG2-CB 4.27Å; T129-L131 PolarHBondContact O-N 3.09Å |
| 130 | E | 72.2 | Confident | 82.3 | Confident | 205 Ų | 205 | 87 Ų | 87 | 96% | 0.958 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -64.3 | 14.8 | -177 | -56.4 | 176.3 | 160.8 | 0 | 0 | 115.4 | ||
| 131 | L | 66.1 | Low | 82.3 | Confident | 108 Ų | 108 | 84.1 Ų | 84.1 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | trans | -113.9 | 118.3 | -175.2 | -150.7 | 80.1 | 0 | 0 | 0 | 110.5 | T129 | T129-L131 HydrophobicContact CG2-CB 4.27Å; T129-L131 PolarHBondContact O-N 3.09Å | ||
| 132 | E | 70.8 | Confident | 82.3 | Confident | 169 Ų | 169 | 89.1 Ų | 89.1 | 79% | 0.79 | 44% | 0.44 | S | S | * | . | trans | -64.9 | 133.4 | 166.9 | -81.3 | 175.2 | -178 | 0 | 0 | 110.5 | Q126 | Q126-E132 VanDerWaalsContact NE2-CG 3.26Š| ||
| 133 | F | 78.3 | Confident | 82.2 | Confident | 31 Ų | 31 | 90.7 Ų | 90.7 | 14% | 0.136 | 45% | 0.446 | C | S | . | . | trans | -144.9 | 157 | 174 | 72 | -84.6 | 0 | 0 | 0 | 110.9 | A122 L125 D139 V140 H143 | A122-F133 HydrophobicContact CB-CE2 3.95Å; A122-F133 HydrophobicContact CB-CZ 3.9Å; L125-F133 HydrophobicContact CB-CE1 3.98Å; L125-F133 HydrophobicContact CB-CZ 3.86Å; L125-F133 HydrophobicContact CD1-CZ 3.94Å; F133-D139 HydrophobicContact CD2-CB 3.99Å; F133-V140 HydrophobicContact CE2-CG2 3.91Å; F133-H143 AromaticContact CD1-CE1 3.59Å; F133-H143 AromaticContact CD1-CG 3.93Å; F133-H143 AromaticContact CD1-ND1 3.5Å; F133-H143 AromaticContact CD2-CD2 3.9Å; F133-H143 HydrophobicContact CE1-CB 4.2Å; F133-H143 AromaticContact CE1-CG 3.89Å; F133-H143 AromaticContact CE1-ND1 3.64Å; F133-H143 HydrophobicContact CE2-CB 4.1Å; F133-H143 AromaticContact CG-CD2 3.89Å; F133-H143 AromaticContact CG-CE1 3.73Å; F133-H143 AromaticContact CG-ND1 3.91Å; F133-H143 AromaticContact CG-NE2 3.75Å; F133-H143 HydrophobicContact CZ-CB 3.85Å; F133-H143 AromaticContact CZ-CG 3.91Å | ||
| 134 | L | 81.6 | Confident | 82.4 | Confident | 119 Ų | 119 | 91.8 Ų | 91.8 | 62% | 0.623 | 44% | 0.442 | S | S | * | . | trans | -73.6 | 144.8 | -175.8 | -70.7 | 165.9 | 0 | 0 | 0 | 111.2 | T136 | L134-T136 PolarHBondContact O-N 3.01Š| ||
| 135 | P | 84.7 | Confident | 82.6 | Confident | 48 Ų | 48 | 92.5 Ų | 92.5 | 31% | 0.312 | 45% | 0.447 | S | S | . | . | trans | -76.7 | 50.4 | 175.4 | 33.9 | -36.6 | 0 | 0 | 0 | 112 | L118 E119 A122 | L118-P135 HydrophobicContact CB-CB 4.22Å; L118-P135 VanDerWaalsContact CB-O 3.25Å; L118-P135 WeakPolarHBondContact CB-O 3.27Å; L118-P135 WeakPolarHBondContact CD1-O 3.41Å; E119-P135 HydrophobicContact CB-CB 4.45Å; E119-P135 HydrophobicContact CG-CB 3.92Å; E119-P135 HydrophobicContact CG-CG 3.99Å; A122-P135 HydrophobicContact CB-CB 4.19Å | ||
| 136 | T | 88.8 | Confident | 82.8 | Confident | 65 Ų | 65 | 93.6 Ų | 93.6 | 40% | 0.399 | 46% | 0.46 | S | S | . | . | trans | -92.5 | 146.4 | 172.5 | -30.9 | 0 | 0 | 0 | 0 | 109.5 | L134 R138 D139 V140 | L134-T136 PolarHBondContact O-N 3.01Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 3.37Å; T136-D139 WeakPolarHBondContact CB-OD2 3.4Å; T136-D139 PolarHBondContact O-N 2.96Å; T136-D139 VanDerWaalsContact O-N 3.14Å; T136-D139 PolarHBondContact OG1-OD2 3.38Å; T136-V140 WeakPolarHBondContact O-CB 3.46Å; T136-V140 WeakPolarHBondContact O-CG2 3.47Å; T136-V140 PolarHBondContact O-N 2.88Å | ||
| 137 | E | 90.1 | Very high | 83.1 | Confident | 121 Ų | 121 | 92.4 Ų | 92.4 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -52.3 | -46.7 | 176.3 | -176.9 | -177.9 | 176.4 | 0 | 0 | 112.8 | L118 D139 L141 | L118-E137 HydrophobicContact CD1-CB 4.37Å; L118-E137 HydrophobicContact CD2-CB 4.33Å; E137-D139 PolarHBondContact O-N 3.31Å; E137-L141 HydrophobicContact CG-CD1 4.04Å; E137-L141 WeakPolarHBondContact O-CB 3.46Å; E137-L141 VanDerWaalsContact O-CG 3.26Å; E137-L141 WeakPolarHBondContact O-CG 3.35Å; E137-L141 PolarHBondContact O-N 3.29Å |
| 138 | R | 90.3 | Very high | 83.8 | Confident | 203 Ų | 203 | 88.2 Ų | 88.2 | 77% | 0.766 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60 | -43.6 | 178.3 | 179.1 | 177.7 | -67.3 | -173.7 | -0.2 | 112.6 | T136 L141 H142 | T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 3.37Å; R138-L141 PolarHBondContact O-N 3.06Å; R138-H142 WeakPolarHBondContact O-CB 3.49Å; R138-H142 PolarHBondContact O-N 2.99Å |
| 139 | D | 88.3 | Confident | 84.8 | Confident | 49 Ų | 49 | 87.3 Ų | 87.3 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -74.5 | -43.1 | -174 | -52.8 | -33 | 0 | 0 | 0 | 109.6 | F133 T136 E137 L141 H142 H143 | F133-D139 HydrophobicContact CD2-CB 3.99Å; T136-D139 WeakPolarHBondContact CB-OD2 3.4Å; T136-D139 PolarHBondContact O-N 2.96Å; T136-D139 VanDerWaalsContact O-N 3.14Å; T136-D139 PolarHBondContact OG1-OD2 3.38Å; E137-D139 PolarHBondContact O-N 3.31Å; D139-L141 PolarHBondContact O-N 3.47Å; D139-H142 PolarHBondContact O-N 3.44Å; D139-H143 WeakPolarHBondContact O-CB 3.39Å; D139-H143 PolarHBondContact O-CD2 2.89Å; D139-H143 PolarHBondContact O-N 2.9Å |
| 140 | V | 90.4 | Very high | 86.1 | Confident | 6 Ų | 6 | 92 Ų | 92 | 4% | 0.036 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 170.9 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | L118 V121 A122 L125 F133 T136 H143 L144 | L118-V140 HydrophobicContact CD2-CB 4.23Å; L118-V140 HydrophobicContact CD2-CG1 4.38Å; L118-V140 HydrophobicContact CD2-CG2 4.07Å; V121-V140 HydrophobicContact CB-CG1 4.19Å; V121-V140 HydrophobicContact CG1-CG1 3.51Å; A122-V140 HydrophobicContact CB-CG2 4.31Å; L125-V140 HydrophobicContact CD1-CG1 4.41Å; F133-V140 HydrophobicContact CE2-CG2 3.91Å; T136-V140 WeakPolarHBondContact O-CB 3.46Å; T136-V140 WeakPolarHBondContact O-CG2 3.47Å; T136-V140 PolarHBondContact O-N 2.88Å; V140-H143 PolarHBondContact O-N 3.17Å; V140-L144 HydrophobicContact CG1-CD1 3.88Å; V140-L144 WeakPolarHBondContact O-CB 3.45Å; V140-L144 VanDerWaalsContact O-CG 3.28Å; V140-L144 WeakPolarHBondContact O-CG 3.5Å; V140-L144 PolarHBondContact O-N 2.88Å |
| 141 | L | 91.6 | Very high | 87.1 | Confident | 88 Ų | 88 | 86.5 Ų | 86.5 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 177.1 | -72.9 | 170.6 | 0 | 0 | 0 | 112.3 | E137 R138 D139 H143 L144 D145 | E137-L141 HydrophobicContact CG-CD1 4.04Å; E137-L141 WeakPolarHBondContact O-CB 3.46Å; E137-L141 VanDerWaalsContact O-CG 3.26Å; E137-L141 WeakPolarHBondContact O-CG 3.35Å; E137-L141 PolarHBondContact O-N 3.29Å; R138-L141 PolarHBondContact O-N 3.06Å; D139-L141 PolarHBondContact O-N 3.47Å; L141-H143 VanDerWaalsContact C-N 3.32Å; L141-H143 PolarHBondContact O-N 3.08Å; L141-L144 WeakPolarHBondContact O-CB 3.23Å; L141-L144 PolarHBondContact O-N 2.68Å; L141-L144 VanDerWaalsContact O-N 3.16Å; L141-D145 PolarHBondContact O-N 3.37Å |
| 142 | H | 88.8 | Confident | 88.5 | Confident | 134 Ų | 134 | 84.7 Ų | 84.7 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.1 | -39.8 | 177.3 | 179 | -100.5 | 0 | 0 | 0 | 112.4 | R138 D139 G146 | R138-H142 WeakPolarHBondContact O-CB 3.49Å; R138-H142 PolarHBondContact O-N 2.99Å; D139-H142 PolarHBondContact O-N 3.44Å; H142-G146 PolarHBondContact O-N 2.93Å |
| 143 | H | 88.6 | Confident | 89.7 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 18% | 0.176 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71.1 | -33.4 | 175.1 | -81.2 | -108.1 | 0 | 0 | 0 | 112.7 | L125 F133 D139 V140 L141 F147 | L125-H143 HydrophobicContact CD1-CB 4.37Å; F133-H143 AromaticContact CD1-CE1 3.59Å; F133-H143 AromaticContact CD1-CG 3.93Å; F133-H143 AromaticContact CD1-ND1 3.5Å; F133-H143 AromaticContact CD2-CD2 3.9Å; F133-H143 HydrophobicContact CE1-CB 4.2Å; F133-H143 AromaticContact CE1-CG 3.89Å; F133-H143 AromaticContact CE1-ND1 3.64Å; F133-H143 HydrophobicContact CE2-CB 4.1Å; F133-H143 AromaticContact CG-CD2 3.89Å; F133-H143 AromaticContact CG-CE1 3.73Å; F133-H143 AromaticContact CG-ND1 3.91Å; F133-H143 AromaticContact CG-NE2 3.75Å; F133-H143 HydrophobicContact CZ-CB 3.85Å; F133-H143 AromaticContact CZ-CG 3.91Å; D139-H143 WeakPolarHBondContact O-CB 3.39Å; D139-H143 PolarHBondContact O-CD2 2.89Å; D139-H143 PolarHBondContact O-N 2.9Å; V140-H143 PolarHBondContact O-N 3.17Å; L141-H143 VanDerWaalsContact C-N 3.32Å; L141-H143 PolarHBondContact O-N 3.08Å; H143-F147 VanDerWaalsContact O-CB 3.25Å; H143-F147 WeakPolarHBondContact O-CB 3.24Å; H143-F147 PolarHBondContact O-N 3Å |
| 144 | L | 90.2 | Very high | 90.5 | Very high | 60 Ų | 60 | 80.4 Ų | 80.4 | 31% | 0.314 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -50 | 170.7 | -79.5 | 163.7 | 0 | 0 | 0 | 111.6 | L125 V140 L141 G146 F147 C148 | L125-L144 HydrophobicContact CD1-CD2 4.15Å; L125-L144 HydrophobicContact CD1-CG 3.92Å; L125-L144 HydrophobicContact CD2-CD2 3.91Å; L125-L144 HydrophobicContact CD2-CG 4.38Å; V140-L144 HydrophobicContact CG1-CD1 3.88Å; V140-L144 WeakPolarHBondContact O-CB 3.45Å; V140-L144 VanDerWaalsContact O-CG 3.28Å; V140-L144 WeakPolarHBondContact O-CG 3.5Å; V140-L144 PolarHBondContact O-N 2.88Å; L141-L144 WeakPolarHBondContact O-CB 3.23Å; L141-L144 PolarHBondContact O-N 2.68Å; L141-L144 VanDerWaalsContact O-N 3.16Å; L144-G146 VanDerWaalsContact C-N 3.33Å; L144-G146 PolarHBondContact O-N 3.03Å; L144-F147 CarbonylContact O-C 3.6Å; L144-F147 PolarHBondContact O-N 2.83Å; L144-F147 VanDerWaalsContact O-N 3.1Å; L144-C148 WeakPolarHBondContact O-CB 3.34Å; L144-C148 PolarHBondContact O-N 2.98Å; L144-C148 PolarHBondContact O-SG 2.96Å |
| 145 | D | 92 | Very high | 91.3 | Very high | 102 Ų | 102 | 83.8 Ų | 83.8 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 177.4 | -74.9 | -25.7 | 0 | 0 | 0 | 111 | L141 F147 C148 N149 | L141-D145 PolarHBondContact O-N 3.37Å; D145-F147 VanDerWaalsContact C-N 3.32Å; D145-F147 PolarHBondContact O-N 3.18Å; D145-C148 PolarHBondContact O-N 3.25Å; D145-N149 WeakPolarHBondContact O-CB 3.31Å; D145-N149 PolarHBondContact O-N 3.49Å; D145-N149 PolarHBondContact O-ND2 3.25Å |
| 146 | G | 90.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 88.2 Ų | 88.2 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H142 L144 K150 | H142-G146 PolarHBondContact O-N 2.93Å; L144-G146 VanDerWaalsContact C-N 3.33Å; L144-G146 PolarHBondContact O-N 3.03Å; G146-K150 VanDerWaalsContact O-CG 3.27Å; G146-K150 WeakPolarHBondContact O-CG 3.35Å; G146-K150 PolarHBondContact O-N 2.85Å; G146-K150 VanDerWaalsContact O-N 3.08Å |
| 147 | F | 89 | Confident | 92.3 | Very high | 53 Ų | 53 | 88.5 Ų | 88.5 | 23% | 0.232 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -72.1 | -42.3 | 177.3 | -175.6 | -107.6 | 0 | 0 | 0 | 112.4 | L125 K128 H143 L144 D145 K150 I151 | L125-F147 HydrophobicContact CD2-CB 4.37Å; L125-F147 HydrophobicContact CD2-CD1 4.41Å; L125-F147 HydrophobicContact CD2-CG 4.36Å; K128-F147 HydrophobicContact CB-CE2 4.08Å; K128-F147 HydrophobicContact CD-CE2 3.97Å; K128-F147 HydrophobicContact CD-CZ 3.73Å; H143-F147 VanDerWaalsContact O-CB 3.25Å; H143-F147 WeakPolarHBondContact O-CB 3.24Å; H143-F147 PolarHBondContact O-N 3Å; L144-F147 CarbonylContact O-C 3.6Å; L144-F147 PolarHBondContact O-N 2.83Å; L144-F147 VanDerWaalsContact O-N 3.1Å; D145-F147 VanDerWaalsContact C-N 3.32Å; D145-F147 PolarHBondContact O-N 3.18Å; F147-K150 WeakPolarHBondContact O-CB 3.29Å; F147-K150 PolarHBondContact O-N 2.78Å; F147-I151 HydrophobicContact CD1-CD1 3.82Å; F147-I151 HydrophobicContact CE1-CD1 3.37Å; F147-I151 HydrophobicContact CE1-CG1 4.39Å; F147-I151 HydrophobicContact CE2-CD1 4.49Å; F147-I151 HydrophobicContact CZ-CD1 3.74Å; F147-I151 HydrophobicContact CZ-CG1 4.44Å; F147-I151 WeakPolarHBondContact O-CG1 3.4Å; F147-I151 PolarHBondContact O-N 3.3Å |
| 148 | C | 91.4 | Very high | 92.7 | Very high | 67 Ų | 67 | 86.6 Ų | 86.6 | 45% | 0.453 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 173.8 | -74.3 | 0 | 0 | 0 | 0 | 111.7 | L144 D145 K150 I151 S152 | L144-C148 WeakPolarHBondContact O-CB 3.34Å; L144-C148 PolarHBondContact O-N 2.98Å; L144-C148 PolarHBondContact O-SG 2.96Å; D145-C148 PolarHBondContact O-N 3.25Å; C148-K150 PolarHBondContact O-N 3.43Å; C148-I151 PolarHBondContact O-N 3.44Å; C148-S152 PolarHBondContact O-N 3.38Å; C148-S152 PolarHBondContact O-OG 3.29Å; C148-S152 VanDerWaalsContact O-OG 3.08Å |
| 149 | N | 93.1 | Very high | 93 | Very high | 109 Ų | 109 | 78.5 Ų | 78.5 | 58% | 0.583 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.6 | -39 | 175.1 | -75.9 | -53.4 | 0 | 0 | 0 | 112.7 | D145 S152 S153 | D145-N149 WeakPolarHBondContact O-CB 3.31Å; D145-N149 PolarHBondContact O-N 3.49Å; D145-N149 PolarHBondContact O-ND2 3.25Å; N149-S152 PolarHBondContact O-N 2.95Å; N149-S153 PolarHBondContact O-N 2.88Å; N149-S153 PolarHBondContact O-OG 3.07Å |
| 150 | K | 92.1 | Very high | 93.5 | Very high | 124 Ų | 124 | 81.7 Ų | 81.7 | 54% | 0.539 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 171.5 | -75.3 | 170.9 | -178.2 | -179.1 | 0 | 112.1 | G146 F147 C148 S153 A154 | G146-K150 VanDerWaalsContact O-CG 3.27Å; G146-K150 WeakPolarHBondContact O-CG 3.35Å; G146-K150 PolarHBondContact O-N 2.85Å; G146-K150 VanDerWaalsContact O-N 3.08Å; F147-K150 WeakPolarHBondContact O-CB 3.29Å; F147-K150 PolarHBondContact O-N 2.78Å; C148-K150 PolarHBondContact O-N 3.43Å; K150-S153 PolarHBondContact O-OG 3.08Å; K150-A154 VanDerWaalsContact O-CB 3.29Å; K150-A154 WeakPolarHBondContact O-CB 3.36Å; K150-A154 PolarHBondContact O-N 2.78Å |
| 151 | I | 92.3 | Very high | 93.8 | Very high | 90 Ų | 90 | 86.1 Ų | 86.1 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.2 | -73.6 | 172.6 | 0 | 0 | 0 | 110.8 | F147 C148 S153 A154 W155 | F147-I151 HydrophobicContact CD1-CD1 3.82Å; F147-I151 HydrophobicContact CE1-CD1 3.37Å; F147-I151 HydrophobicContact CE1-CG1 4.39Å; F147-I151 HydrophobicContact CE2-CD1 4.49Å; F147-I151 HydrophobicContact CZ-CD1 3.74Å; F147-I151 HydrophobicContact CZ-CG1 4.44Å; F147-I151 WeakPolarHBondContact O-CG1 3.4Å; F147-I151 PolarHBondContact O-N 3.3Å; C148-I151 PolarHBondContact O-N 3.44Å; I151-S153 PolarHBondContact O-N 3.47Å; I151-A154 PolarHBondContact O-N 3.28Å; I151-W155 WeakPolarHBondContact O-CB 3.4Å; I151-W155 PolarHBondContact O-N 2.88Å |
| 152 | S | 96.2 | Very high | 94.1 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 179.5 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | C148 N149 W155 Q156 | C148-S152 PolarHBondContact O-N 3.38Å; C148-S152 PolarHBondContact O-OG 3.29Å; C148-S152 VanDerWaalsContact O-OG 3.08Å; N149-S152 PolarHBondContact O-N 2.95Å; S152-W155 PolarHBondContact O-N 2.9Å; S152-Q156 WeakPolarHBondContact O-CB 3.28Å; S152-Q156 PolarHBondContact O-N 3.21Å |
| 153 | S | 95.8 | Very high | 94.6 | Very high | 62 Ų | 62 | 84 Ų | 84 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.2 | -33 | 176.6 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | N149 K150 I151 T157 | N149-S153 PolarHBondContact O-N 2.88Å; N149-S153 PolarHBondContact O-OG 3.07Å; K150-S153 PolarHBondContact O-OG 3.08Å; I151-S153 PolarHBondContact O-N 3.47Å; S153-T157 PolarHBondContact O-N 3.06Å; S153-T157 PolarHBondContact O-OG1 3.17Å |
| 154 | A | 95.9 | Very high | 95.1 | Very high | 48 Ų | 48 | 89.3 Ų | 89.3 | 40% | 0.397 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K150 I151 T157 V158 | K150-A154 VanDerWaalsContact O-CB 3.29Å; K150-A154 WeakPolarHBondContact O-CB 3.36Å; K150-A154 PolarHBondContact O-N 2.78Å; I151-A154 PolarHBondContact O-N 3.28Å; A154-T157 WeakPolarHBondContact CA-OG1 3.33Å; A154-T157 PolarHBondContact O-N 3.39Å; A154-T157 PolarHBondContact O-OG1 2.92Å; A154-V158 WeakPolarHBondContact O-CG2 3.36Å; A154-V158 PolarHBondContact O-N 3.37Å |
| 155 | W | 97.9 | Very high | 95.4 | Very high | 189 Ų | 189 | 92 Ų | 92 | 72% | 0.716 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.5 | -37.2 | 178.2 | -166.4 | 78.5 | 0 | 0 | 0 | 112.4 | I151 S152 S159 | I151-W155 WeakPolarHBondContact O-CB 3.4Å; I151-W155 PolarHBondContact O-N 2.88Å; S152-W155 PolarHBondContact O-N 2.9Å; W155-S159 WeakPolarHBondContact O-CB 3.32Å; W155-S159 PolarHBondContact O-N 2.93Å; W155-S159 PolarHBondContact O-OG 3.43Å |
| 156 | Q | 97.4 | Very high | 95.7 | Very high | 142 Ų | 142 | 94.1 Ų | 94.1 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 173 | -172.6 | 179.5 | 11.3 | 0 | 0 | 112.1 | S152 S159 Q160 | S152-Q156 WeakPolarHBondContact O-CB 3.28Å; S152-Q156 PolarHBondContact O-N 3.21Å; Q156-S159 PolarHBondContact O-N 3.38Å; Q156-Q160 PolarHBondContact O-N 2.93Å |
| 157 | T | 97.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 97.9 Ų | 97.9 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.1 | -39.7 | 176.8 | 43.2 | 0 | 0 | 0 | 0 | 112.1 | S153 A154 S159 Q160 M161 | S153-T157 PolarHBondContact O-N 3.06Å; S153-T157 PolarHBondContact O-OG1 3.17Å; A154-T157 WeakPolarHBondContact CA-OG1 3.33Å; A154-T157 PolarHBondContact O-N 3.39Å; A154-T157 PolarHBondContact O-OG1 2.92Å; T157-S159 PolarHBondContact O-N 2.92Å; T157-Q160 WeakPolarHBondContact O-CB 3.47Å; T157-Q160 PolarHBondContact O-N 3.28Å; T157-M161 WeakPolarHBondContact O-CG 3.46Å; T157-M161 PolarHBondContact O-N 2.97Å |
| 158 | V | 97.4 | Very high | 96.5 | Very high | 81 Ų | 81 | 99.2 Ų | 99.2 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.3 | -49.2 | 170 | 169 | 0 | 0 | 0 | 0 | 110.9 | A154 Q160 M161 E162 | A154-V158 WeakPolarHBondContact O-CG2 3.36Å; A154-V158 PolarHBondContact O-N 3.37Å; V158-Q160 VanDerWaalsContact C-N 3.28Å; V158-Q160 PolarHBondContact O-N 3.46Å; V158-M161 PolarHBondContact O-N 2.89Å; V158-E162 PolarHBondContact O-N 3.01Å |
| 159 | S | 97.9 | Very high | 96.8 | Very high | 33 Ų | 33 | 98.3 Ų | 98.3 | 23% | 0.231 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -57.7 | -39.2 | 177 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | W155 Q156 T157 V163 | W155-S159 WeakPolarHBondContact O-CB 3.32Å; W155-S159 PolarHBondContact O-N 2.93Å; W155-S159 PolarHBondContact O-OG 3.43Å; Q156-S159 PolarHBondContact O-N 3.38Å; T157-S159 PolarHBondContact O-N 2.92Å; S159-V163 WeakPolarHBondContact O-CG2 3.36Å; S159-V163 PolarHBondContact O-N 3.3Å; S159-V163 VanDerWaalsContact O-N 3.16Å |
| 160 | Q | 98.2 | Very high | 97.1 | Very high | 117 Ų | 117 | 97.1 Ų | 97.1 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 174.8 | -168.2 | -176.2 | 22.5 | 0 | 0 | 112.1 | Q156 T157 V158 V163 R164 | Q156-Q160 PolarHBondContact O-N 2.93Å; T157-Q160 WeakPolarHBondContact O-CB 3.47Å; T157-Q160 PolarHBondContact O-N 3.28Å; V158-Q160 VanDerWaalsContact C-N 3.28Å; V158-Q160 PolarHBondContact O-N 3.46Å; Q160-V163 PolarHBondContact O-N 2.94Å; Q160-R164 WeakPolarHBondContact O-CG 3.43Å; Q160-R164 PolarHBondContact O-N 2.64Å |
| 161 | M | 97.5 | Very high | 97.4 | Very high | 98 Ų | 98 | 95.8 Ų | 95.8 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 176.5 | -64.2 | -54.4 | 173.2 | 0 | 0 | 112 | T157 V158 V163 R164 L165 | T157-M161 WeakPolarHBondContact O-CG 3.46Å; T157-M161 PolarHBondContact O-N 2.97Å; V158-M161 PolarHBondContact O-N 2.89Å; M161-V163 PolarHBondContact O-N 3.49Å; M161-R164 PolarHBondContact O-N 3.07Å; M161-R164 PolarHBondContact SD-NH1 2.89Å; M161-L165 VanDerWaalsContact O-CB 3.3Å; M161-L165 WeakPolarHBondContact O-CB 3.3Å; M161-L165 PolarHBondContact O-N 3.34Å |
| 162 | E | 98.2 | Very high | 97.6 | Very high | 95 Ų | 95 | 96.5 Ų | 96.5 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 172.5 | -70.9 | -176.1 | -167.8 | 0 | 0 | 112.7 | V158 L165 R166 | V158-E162 PolarHBondContact O-N 3.01Å; E162-L165 PolarHBondContact O-N 2.97Å; E162-R166 WeakPolarHBondContact O-CB 3.33Å; E162-R166 VanDerWaalsContact O-CG 3.31Å; E162-R166 WeakPolarHBondContact O-CG 3.27Å; E162-R166 PolarHBondContact O-N 3.45Å; E162-R166 PolarHBondContact O-NE 3.18Å; E162-R166 IonicContact OE2-CZ 2.71Å; E162-R166 IonicContact OE2-NH2 3.14Å; E162-R166 PolarHBondContact OE2-NH2 2.97Å |
| 163 | V | 98.1 | Very high | 97.7 | Very high | 84 Ų | 84 | 98.4 Ų | 98.4 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | S159 Q160 M161 R166 H167 | S159-V163 WeakPolarHBondContact O-CG2 3.36Å; S159-V163 PolarHBondContact O-N 3.3Å; S159-V163 VanDerWaalsContact O-N 3.16Å; Q160-V163 PolarHBondContact O-N 2.94Å; M161-V163 PolarHBondContact O-N 3.49Å; V163-R166 PolarHBondContact O-N 2.97Å; V163-H167 WeakPolarHBondContact O-CB 3.47Å; V163-H167 PolarHBondContact O-N 3.49Å |
| 164 | R | 98.4 | Very high | 97.8 | Very high | 148 Ų | 148 | 101.3 Ų | 101.3 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 173.9 | -70.1 | 174.8 | 69.1 | -156.9 | 2 | 112.2 | Q160 M161 H167 T168 | Q160-R164 WeakPolarHBondContact O-CG 3.43Å; Q160-R164 PolarHBondContact O-N 2.64Å; M161-R164 PolarHBondContact O-N 3.07Å; M161-R164 PolarHBondContact SD-NH1 2.89Å; R164-H167 WeakPolarHBondContact O-CB 3.47Å; R164-H167 PolarHBondContact O-N 3.44Å; R164-T168 PolarHBondContact O-N 3.04Å; R164-T168 PolarHBondContact O-OG1 2.81Å |
| 165 | L | 98.1 | Very high | 97.9 | Very high | 118 Ų | 118 | 103 Ų | 103 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -37.9 | 178.4 | -176.2 | 150.1 | 0 | 0 | 0 | 111.9 | M161 E162 T168 S169 | M161-L165 VanDerWaalsContact O-CB 3.3Å; M161-L165 WeakPolarHBondContact O-CB 3.3Å; M161-L165 PolarHBondContact O-N 3.34Å; E162-L165 PolarHBondContact O-N 2.97Å; L165-T168 PolarHBondContact O-OG1 3.39Å; L165-S169 WeakPolarHBondContact O-CB 3.39Å; L165-S169 PolarHBondContact O-N 3.08Å |
| 166 | R | 98.1 | Very high | 97.9 | Very high | 145 Ų | 145 | 97.6 Ų | 97.6 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 171.2 | -78.1 | 177.1 | -101.4 | 162.2 | -13.7 | 111.6 | E162 V163 E170 | E162-R166 WeakPolarHBondContact O-CB 3.33Å; E162-R166 VanDerWaalsContact O-CG 3.31Å; E162-R166 WeakPolarHBondContact O-CG 3.27Å; E162-R166 PolarHBondContact O-N 3.45Å; E162-R166 PolarHBondContact O-NE 3.18Å; E162-R166 IonicContact OE2-CZ 2.71Å; E162-R166 IonicContact OE2-NH2 3.14Å; E162-R166 PolarHBondContact OE2-NH2 2.97Å; V163-R166 PolarHBondContact O-N 2.97Å; R166-E170 PolarHBondContact O-N 3.05Å; R166-E170 VanDerWaalsContact O-N 3.13Å |
| 167 | H | 98.3 | Very high | 97.9 | Very high | 112 Ų | 112 | 93.9 Ų | 93.9 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -51.6 | 177.4 | -177.1 | -0.7 | 0 | 0 | 0 | 112.2 | V163 R164 S169 E170 E171 | V163-H167 WeakPolarHBondContact O-CB 3.47Å; V163-H167 PolarHBondContact O-N 3.49Å; R164-H167 WeakPolarHBondContact O-CB 3.47Å; R164-H167 PolarHBondContact O-N 3.44Å; H167-S169 VanDerWaalsContact C-N 3.33Å; H167-S169 PolarHBondContact O-N 3.15Å; H167-E170 PolarHBondContact O-N 2.71Å; H167-E170 VanDerWaalsContact O-N 3.12Å; H167-E171 IonicContact CE1-OE1 2.83Å; H167-E171 PolarHBondContact CE1-OE1 3.46Å; H167-E171 IonicContact CE1-OE2 3.67Å; H167-E171 IonicContact ND1-OE1 3.07Å; H167-E171 IonicContact ND1-OE2 2.64Å; H167-E171 IonicContact NE2-OE1 3.9Å; H167-E171 WeakPolarHBondContact O-CG 3.48Å; H167-E171 PolarHBondContact O-N 3.29Å |
| 168 | T | 97.8 | Very high | 98 | Very high | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.3 | -30.2 | -179.4 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | R164 L165 E170 L172 | R164-T168 PolarHBondContact O-N 3.04Å; R164-T168 PolarHBondContact O-OG1 2.81Å; L165-T168 PolarHBondContact O-OG1 3.39Å; T168-E170 VanDerWaalsContact C-N 3.31Å; T168-L172 VanDerWaalsContact O-CB 3.29Å; T168-L172 WeakPolarHBondContact O-CB 3.44Å; T168-L172 PolarHBondContact O-N 3.24Å |
| 169 | S | 98.1 | Very high | 98 | Very high | 49 Ų | 49 | 97.4 Ų | 97.4 | 34% | 0.343 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 169.9 | 180 | 0 | 0 | 0 | 0 | 112 | L165 H167 K173 | L165-S169 WeakPolarHBondContact O-CB 3.39Å; L165-S169 PolarHBondContact O-N 3.08Å; H167-S169 VanDerWaalsContact C-N 3.33Å; H167-S169 PolarHBondContact O-N 3.15Å; S169-K173 WeakPolarHBondContact O-CE 3.32Å; S169-K173 WeakPolarHBondContact O-CG 3.32Å; S169-K173 PolarHBondContact O-N 2.95Å; S169-K173 VanDerWaalsContact O-N 3.16Å |
| 170 | E | 98.4 | Very high | 98 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.8 | -41.2 | 178.4 | -163.6 | 57 | -141.2 | 0 | 0 | 112.1 | R166 H167 T168 L172 K173 Q174 | R166-E170 PolarHBondContact O-N 3.05Å; R166-E170 VanDerWaalsContact O-N 3.13Å; H167-E170 PolarHBondContact O-N 2.71Å; H167-E170 VanDerWaalsContact O-N 3.12Å; T168-E170 VanDerWaalsContact C-N 3.31Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.7Å; E170-K173 PolarHBondContact O-N 2.99Å; E170-K173 IonicContact OE2-NZ 2.68Å; E170-K173 PolarHBondContact OE2-NZ 3.13Å; E170-Q174 WeakPolarHBondContact O-CG 3.28Å; E170-Q174 PolarHBondContact O-N 3.31Å |
| 171 | E | 98.1 | Very high | 98 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 170.8 | -68.9 | 176.8 | 134.4 | 0 | 0 | 111.7 | H167 Q174 L175 | H167-E171 IonicContact CE1-OE1 2.83Å; H167-E171 PolarHBondContact CE1-OE1 3.46Å; H167-E171 IonicContact CE1-OE2 3.67Å; H167-E171 IonicContact ND1-OE1 3.07Å; H167-E171 IonicContact ND1-OE2 2.64Å; H167-E171 IonicContact NE2-OE1 3.9Å; H167-E171 WeakPolarHBondContact O-CG 3.48Å; H167-E171 PolarHBondContact O-N 3.29Å; E171-Q174 PolarHBondContact O-N 2.99Å; E171-L175 WeakPolarHBondContact O-CB 3.33Å; E171-L175 PolarHBondContact O-N 3.06Å |
| 172 | L | 97.8 | Very high | 98 | Very high | 106 Ų | 106 | 95.4 Ų | 95.4 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | 177.3 | -176.9 | 62.2 | 0 | 0 | 0 | 111.8 | T168 E170 Q174 L175 T176 | T168-L172 VanDerWaalsContact O-CB 3.29Å; T168-L172 WeakPolarHBondContact O-CB 3.44Å; T168-L172 PolarHBondContact O-N 3.24Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.7Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.4Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-T176 PolarHBondContact O-N 3.48Å; L172-T176 PolarHBondContact O-OG1 3.4Å; L172-T176 VanDerWaalsContact O-OG1 3.07Å |
| 173 | K | 97.7 | Very high | 98.1 | Very high | 110 Ų | 110 | 95.3 Ų | 95.3 | 48% | 0.478 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 174.5 | -69.4 | 169.4 | -141.6 | 162.8 | 0 | 111.7 | S169 E170 L175 T176 A177 | S169-K173 WeakPolarHBondContact O-CE 3.32Å; S169-K173 WeakPolarHBondContact O-CG 3.32Å; S169-K173 PolarHBondContact O-N 2.95Å; S169-K173 VanDerWaalsContact O-N 3.16Å; E170-K173 PolarHBondContact O-N 2.99Å; E170-K173 IonicContact OE2-NZ 2.68Å; E170-K173 PolarHBondContact OE2-NZ 3.13Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-T176 PolarHBondContact O-N 2.86Å; K173-A177 WeakPolarHBondContact O-CB 3.02Å; K173-A177 PolarHBondContact O-N 2.99Å |
| 174 | Q | 98.3 | Very high | 98.1 | Very high | 123 Ų | 123 | 97.7 Ų | 97.7 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 178.4 | -68.9 | 173.7 | 23.5 | 0 | 0 | 111.3 | E170 E171 L172 A177 L178 | E170-Q174 WeakPolarHBondContact O-CG 3.28Å; E170-Q174 PolarHBondContact O-N 3.31Å; E171-Q174 PolarHBondContact O-N 2.99Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.4Å; Q174-A177 PolarHBondContact O-N 3.08Å; Q174-L178 WeakPolarHBondContact O-CB 3.42Å; Q174-L178 PolarHBondContact O-N 3.4Å |
| 175 | L | 97.8 | Very high | 98.1 | Very high | 85 Ų | 85 | 98.3 Ų | 98.3 | 45% | 0.445 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 174.7 | -178.5 | 60.9 | 0 | 0 | 0 | 112 | E171 L172 K173 A177 L178 Q179 | E171-L175 WeakPolarHBondContact O-CB 3.33Å; E171-L175 PolarHBondContact O-N 3.06Å; L172-L175 PolarHBondContact O-N 3.03Å; K173-L175 VanDerWaalsContact C-N 3.35Å; L175-A177 VanDerWaalsContact C-N 3.35Å; L175-A177 PolarHBondContact O-N 3.16Å; L175-L178 PolarHBondContact O-N 3.38Å; L175-Q179 HydrophobicContact CD1-CG 4.38Å; L175-Q179 WeakPolarHBondContact O-CB 3.32Å; L175-Q179 VanDerWaalsContact O-CG 3.27Å; L175-Q179 WeakPolarHBondContact O-CG 3.46Å; L175-Q179 PolarHBondContact O-N 3.45Å |
| 176 | T | 97.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 95.3 Ų | 95.3 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | L172 K173 Q179 L180 | L172-T176 PolarHBondContact O-N 3.48Å; L172-T176 PolarHBondContact O-OG1 3.4Å; L172-T176 VanDerWaalsContact O-OG1 3.07Å; K173-T176 PolarHBondContact O-N 2.86Å; T176-Q179 PolarHBondContact O-N 2.83Å; T176-L180 WeakPolarHBondContact O-CB 3.46Å; T176-L180 PolarHBondContact O-N 3.47Å |
| 177 | A | 98.2 | Very high | 98.1 | Very high | 64 Ų | 64 | 93.1 Ų | 93.1 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K173 Q174 L175 L180 G181 | K173-A177 WeakPolarHBondContact O-CB 3.02Å; K173-A177 PolarHBondContact O-N 2.99Å; Q174-A177 PolarHBondContact O-N 3.08Å; L175-A177 VanDerWaalsContact C-N 3.35Å; L175-A177 PolarHBondContact O-N 3.16Å; A177-L180 PolarHBondContact O-N 2.95Å; A177-G181 PolarHBondContact O-N 2.85Å |
| 178 | L | 98.1 | Very high | 98.1 | Very high | 114 Ų | 114 | 92.1 Ų | 92.1 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 175.1 | -171.7 | 78.5 | 0 | 0 | 0 | 112 | Q174 L175 T182 | Q174-L178 WeakPolarHBondContact O-CB 3.42Å; Q174-L178 PolarHBondContact O-N 3.4Å; L175-L178 PolarHBondContact O-N 3.38Å; L178-T182 VanDerWaalsContact O-CB 3.28Å; L178-T182 WeakPolarHBondContact O-CB 3.4Å; L178-T182 PolarHBondContact O-N 3.38Å; L178-T182 PolarHBondContact O-OG1 3.38Å |
| 179 | Q | 97.8 | Very high | 98.1 | Very high | 110 Ų | 110 | 90.9 Ų | 90.9 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 175.8 | -76 | 171.3 | -15.1 | 0 | 0 | 111 | L175 T176 G181 T182 L183 | L175-Q179 HydrophobicContact CD1-CG 4.38Å; L175-Q179 WeakPolarHBondContact O-CB 3.32Å; L175-Q179 VanDerWaalsContact O-CG 3.27Å; L175-Q179 WeakPolarHBondContact O-CG 3.46Å; L175-Q179 PolarHBondContact O-N 3.45Å; T176-Q179 PolarHBondContact O-N 2.83Å; Q179-G181 PolarHBondContact O-N 2.94Å; Q179-T182 PolarHBondContact O-N 3.29Å; Q179-T182 VanDerWaalsContact O-N 3.07Å; Q179-L183 PolarHBondContact O-N 3.01Å |
| 180 | L | 98.2 | Very high | 98.1 | Very high | 116 Ų | 116 | 93.9 Ų | 93.9 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.1 | -46.5 | 178.2 | -175.6 | 63.9 | 0 | 0 | 0 | 111.9 | T176 A177 T182 L183 Q184 | T176-L180 WeakPolarHBondContact O-CB 3.46Å; T176-L180 PolarHBondContact O-N 3.47Å; A177-L180 PolarHBondContact O-N 2.95Å; L180-T182 PolarHBondContact O-N 3.12Å; L180-L183 PolarHBondContact O-N 2.94Å; L180-Q184 WeakPolarHBondContact O-CB 3.46Å; L180-Q184 PolarHBondContact O-N 3.12Å |
| 181 | G | 98.4 | Very high | 98.1 | Very high | 28 Ų | 28 | 95.1 Ų | 95.1 | 29% | 0.289 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -16.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | A177 Q179 R185 | A177-G181 PolarHBondContact O-N 2.85Å; Q179-G181 PolarHBondContact O-N 2.94Å; G181-R185 VanDerWaalsContact O-CG 3.28Å; G181-R185 WeakPolarHBondContact O-CG 3.29Å; G181-R185 PolarHBondContact O-NE 3.25Å |
| 182 | T | 97.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 95.6 Ų | 95.6 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -88 | -40 | 172.6 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | L178 Q179 L180 R185 A186 | L178-T182 VanDerWaalsContact O-CB 3.28Å; L178-T182 WeakPolarHBondContact O-CB 3.4Å; L178-T182 PolarHBondContact O-N 3.38Å; L178-T182 PolarHBondContact O-OG1 3.38Å; Q179-T182 PolarHBondContact O-N 3.29Å; Q179-T182 VanDerWaalsContact O-N 3.07Å; L180-T182 PolarHBondContact O-N 3.12Å; T182-R185 PolarHBondContact O-N 3.48Å; T182-R185 PolarHBondContact OG1-NH2 2.91Å; T182-A186 WeakPolarHBondContact O-CB 3.42Å; T182-A186 PolarHBondContact O-N 2.9Å |
| 183 | L | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 92.2 Ų | 92.2 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 171.4 | -179 | 62.8 | 0 | 0 | 0 | 111.4 | Q179 L180 R185 A186 Q187 | Q179-L183 PolarHBondContact O-N 3.01Å; L180-L183 PolarHBondContact O-N 2.94Å; L183-R185 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 2.87Å; L183-A186 PolarHBondContact O-N 3.39Å; L183-Q187 HydrophobicContact CD1-CG 4.44Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 2.93Å |
| 184 | Q | 98.4 | Very high | 98.2 | Very high | 133 Ų | 133 | 90.7 Ų | 90.7 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61 | -40.3 | 177.3 | -171.3 | -178 | 11.7 | 0 | 0 | 112.4 | L180 L188 | L180-Q184 WeakPolarHBondContact O-CB 3.46Å; L180-Q184 PolarHBondContact O-N 3.12Å; Q184-L188 PolarHBondContact O-N 3.13Å; Q184-L188 VanDerWaalsContact O-N 3.08Å |
| 185 | R | 98.3 | Very high | 98.2 | Very high | 162 Ų | 162 | 88.1 Ų | 88.1 | 61% | 0.611 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.7 | -39.5 | 174.9 | -73.9 | -179.1 | -60.7 | 145.9 | 3.2 | 112.2 | G181 T182 L183 L188 A189 | G181-R185 VanDerWaalsContact O-CG 3.28Å; G181-R185 WeakPolarHBondContact O-CG 3.29Å; G181-R185 PolarHBondContact O-NE 3.25Å; T182-R185 PolarHBondContact O-N 3.48Å; T182-R185 PolarHBondContact OG1-NH2 2.91Å; L183-R185 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 2.87Å; R185-L188 PolarHBondContact O-N 2.66Å; R185-A189 WeakPolarHBondContact O-CB 3.1Å; R185-A189 PolarHBondContact O-N 2.95Å |
| 186 | A | 97.9 | Very high | 98.2 | Very high | 55 Ų | 55 | 89 Ų | 89 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T182 L183 L188 A189 E190 | T182-A186 WeakPolarHBondContact O-CB 3.42Å; T182-A186 PolarHBondContact O-N 2.9Å; L183-A186 PolarHBondContact O-N 3.39Å; A186-L188 PolarHBondContact O-N 2.89Å; A186-A189 PolarHBondContact O-N 2.93Å; A186-E190 WeakPolarHBondContact O-CB 3.4Å; A186-E190 PolarHBondContact O-N 3.2Å |
| 187 | Q | 98.2 | Very high | 98.2 | Very high | 99 Ų | 99 | 92.8 Ų | 92.8 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.1 | -73.2 | 171.4 | -16.5 | 0 | 0 | 112.3 | L183 E190 Q191 | L183-Q187 HydrophobicContact CD1-CG 4.44Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 2.93Å; Q187-E190 PolarHBondContact O-N 3.31Å; Q187-Q191 WeakPolarHBondContact O-CG 3.24Å; Q187-Q191 PolarHBondContact O-N 2.85Å |
| 188 | L | 98.5 | Very high | 98.2 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.8 | -178.2 | 62.7 | 0 | 0 | 0 | 112.1 | Q184 R185 A186 E190 Q191 Q192 | Q184-L188 PolarHBondContact O-N 3.13Å; Q184-L188 VanDerWaalsContact O-N 3.08Å; R185-L188 PolarHBondContact O-N 2.66Å; A186-L188 PolarHBondContact O-N 2.89Å; L188-E190 VanDerWaalsContact C-N 3.32Å; L188-Q191 PolarHBondContact O-N 2.99Å; L188-Q192 VanDerWaalsContact O-CG 3.32Å; L188-Q192 WeakPolarHBondContact O-CG 3.3Å; L188-Q192 PolarHBondContact O-N 3.49Å |
| 189 | A | 98.1 | Very high | 98.3 | Very high | 54 Ų | 54 | 95.9 Ų | 95.9 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R185 A186 A193 | R185-A189 WeakPolarHBondContact O-CB 3.1Å; R185-A189 PolarHBondContact O-N 2.95Å; A186-A189 PolarHBondContact O-N 2.93Å; A189-A193 WeakPolarHBondContact O-CB 3.38Å; A189-A193 PolarHBondContact O-N 2.95Å |
| 190 | E | 98.3 | Very high | 98.3 | Very high | 111 Ų | 111 | 95.4 Ų | 95.4 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.9 | -44 | 174.6 | -163.4 | -170.8 | 159.6 | 0 | 0 | 111.6 | A186 Q187 L188 Q192 A193 Q194 | A186-E190 WeakPolarHBondContact O-CB 3.4Å; A186-E190 PolarHBondContact O-N 3.2Å; Q187-E190 PolarHBondContact O-N 3.31Å; L188-E190 VanDerWaalsContact C-N 3.32Å; E190-Q192 VanDerWaalsContact C-N 3.35Å; E190-Q192 PolarHBondContact O-N 2.89Å; E190-A193 CarbonylContact O-C 3.6Å; E190-A193 PolarHBondContact O-N 3.49Å; E190-A193 VanDerWaalsContact O-N 3.16Å; E190-Q194 VanDerWaalsContact O-CG 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.44Å; E190-Q194 PolarHBondContact O-N 3.41Å; E190-Q194 PolarHBondContact OE1-NE2 2.92Å |
| 191 | Q | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 95.4 Ų | 95.4 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.3 | -48.7 | 173.9 | -74.7 | 170.5 | -5.3 | 0 | 0 | 111.2 | Q187 L188 A193 Q194 D195 | Q187-Q191 WeakPolarHBondContact O-CG 3.24Å; Q187-Q191 PolarHBondContact O-N 2.85Å; L188-Q191 PolarHBondContact O-N 2.99Å; Q191-A193 VanDerWaalsContact C-N 3.33Å; Q191-A193 PolarHBondContact O-N 2.59Å; Q191-Q194 PolarHBondContact O-N 3.23Å; Q191-Q194 VanDerWaalsContact O-N 3.12Å; Q191-D195 PolarHBondContact O-N 3.36Å |
| 192 | Q | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 96.3 Ų | 96.3 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 175.4 | -71.3 | 171.9 | -8.1 | 0 | 0 | 112.3 | L188 E190 D195 L196 | L188-Q192 VanDerWaalsContact O-CG 3.32Å; L188-Q192 WeakPolarHBondContact O-CG 3.3Å; L188-Q192 PolarHBondContact O-N 3.49Å; E190-Q192 VanDerWaalsContact C-N 3.35Å; E190-Q192 PolarHBondContact O-N 2.89Å; Q192-D195 PolarHBondContact O-N 2.92Å; Q192-L196 WeakPolarHBondContact O-CB 3.36Å; Q192-L196 VanDerWaalsContact O-CG 3.32Å; Q192-L196 WeakPolarHBondContact O-CG 3.32Å; Q192-L196 PolarHBondContact O-N 2.86Å |
| 193 | A | 98.1 | Very high | 98.3 | Very high | 36 Ų | 36 | 98.2 Ų | 98.2 | 30% | 0.298 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -34.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A189 E190 Q191 R197 | A189-A193 WeakPolarHBondContact O-CB 3.38Å; A189-A193 PolarHBondContact O-N 2.95Å; E190-A193 CarbonylContact O-C 3.6Å; E190-A193 PolarHBondContact O-N 3.49Å; E190-A193 VanDerWaalsContact O-N 3.16Å; Q191-A193 VanDerWaalsContact C-N 3.33Å; Q191-A193 PolarHBondContact O-N 2.59Å; A193-R197 WeakPolarHBondContact O-CB 3.31Å; A193-R197 WeakPolarHBondContact O-CD 3.17Å; A193-R197 WeakPolarHBondContact O-CG 3.32Å; A193-R197 PolarHBondContact O-N 3.31Å |
| 194 | Q | 98.3 | Very high | 98.3 | Very high | 78 Ų | 78 | 99.1 Ų | 99.1 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71 | -37.4 | 173.9 | -68.8 | 177.5 | 18.2 | 0 | 0 | 112 | E190 Q191 R198 | E190-Q194 VanDerWaalsContact O-CG 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.44Å; E190-Q194 PolarHBondContact O-N 3.41Å; E190-Q194 PolarHBondContact OE1-NE2 2.92Å; Q191-Q194 PolarHBondContact O-N 3.23Å; Q191-Q194 VanDerWaalsContact O-N 3.12Å; Q194-R198 WeakPolarHBondContact O-CG 3.41Å; Q194-R198 PolarHBondContact O-N 2.95Å; Q194-R198 PolarHBondContact O-NE 3.48Å |
| 195 | D | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 96.5 Ų | 96.5 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 174 | -71.1 | -33.2 | 0 | 0 | 0 | 111.3 | Q191 Q192 R197 R198 Q199 | Q191-D195 PolarHBondContact O-N 3.36Å; Q192-D195 PolarHBondContact O-N 2.92Å; D195-R197 PolarHBondContact O-N 2.88Å; D195-R198 PolarHBondContact O-N 3.1Å; D195-R198 IonicContact OD1-CZ 2.69Å; D195-R198 IonicContact OD1-NH1 3.24Å; D195-R198 PolarHBondContact OD1-NH1 3.35Å; D195-R198 IonicContact OD1-NH2 2.73Å; D195-R198 PolarHBondContact OD1-NH2 2.91Å; D195-Q199 WeakPolarHBondContact O-CG 3.49Å; D195-Q199 PolarHBondContact O-N 3.01Å |
| 196 | L | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 94.2 Ų | 94.2 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.9 | -70.8 | 169.9 | 0 | 0 | 0 | 112.2 | Q192 Q199 L200 | Q192-L196 WeakPolarHBondContact O-CB 3.36Å; Q192-L196 VanDerWaalsContact O-CG 3.32Å; Q192-L196 WeakPolarHBondContact O-CG 3.32Å; Q192-L196 PolarHBondContact O-N 2.86Å; L196-Q199 PolarHBondContact O-N 3.33Å; L196-L200 WeakPolarHBondContact O-CB 3.28Å; L196-L200 WeakPolarHBondContact O-CG 3.28Å; L196-L200 PolarHBondContact O-N 2.94Å |
| 197 | R | 98.4 | Very high | 98.2 | Very high | 155 Ų | 155 | 97 Ų | 97 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 173.2 | -78.2 | 167.7 | -177.7 | 167.7 | 2 | 112.2 | A193 D195 L200 Q201 | A193-R197 WeakPolarHBondContact O-CB 3.31Å; A193-R197 WeakPolarHBondContact O-CD 3.17Å; A193-R197 WeakPolarHBondContact O-CG 3.32Å; A193-R197 PolarHBondContact O-N 3.31Å; D195-R197 PolarHBondContact O-N 2.88Å; R197-L200 PolarHBondContact O-N 2.91Å; R197-Q201 WeakPolarHBondContact O-CB 3.42Å; R197-Q201 VanDerWaalsContact O-CG 3.28Å; R197-Q201 WeakPolarHBondContact O-CG 3.49Å; R197-Q201 PolarHBondContact O-N 2.76Å |
| 198 | R | 98.4 | Very high | 98.2 | Very high | 129 Ų | 129 | 97.1 Ų | 97.1 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.6 | -79.4 | -179.5 | -91.9 | 103.5 | -0.7 | 112.1 | Q194 D195 Q201 S202 | Q194-R198 WeakPolarHBondContact O-CG 3.41Å; Q194-R198 PolarHBondContact O-N 2.95Å; Q194-R198 PolarHBondContact O-NE 3.48Å; D195-R198 PolarHBondContact O-N 3.1Å; D195-R198 IonicContact OD1-CZ 2.69Å; D195-R198 IonicContact OD1-NH1 3.24Å; D195-R198 PolarHBondContact OD1-NH1 3.35Å; D195-R198 IonicContact OD1-NH2 2.73Å; D195-R198 PolarHBondContact OD1-NH2 2.91Å; R198-Q201 PolarHBondContact O-N 3.1Å; R198-S202 PolarHBondContact O-N 2.71Å; R198-S202 VanDerWaalsContact O-N 3.08Å; R198-S202 PolarHBondContact O-OG 3.46Å |
| 199 | Q | 98.4 | Very high | 98.2 | Very high | 115 Ų | 115 | 98.4 Ų | 98.4 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 175 | -71.9 | 176.7 | -9.5 | 0 | 0 | 112.9 | D195 L196 S202 L203 | D195-Q199 WeakPolarHBondContact O-CG 3.49Å; D195-Q199 PolarHBondContact O-N 3.01Å; L196-Q199 PolarHBondContact O-N 3.33Å; Q199-S202 WeakPolarHBondContact CA-OG 3.44Å; Q199-S202 PolarHBondContact O-N 3.3Å; Q199-S202 PolarHBondContact O-OG 3.43Å; Q199-L203 VanDerWaalsContact O-CG 3.3Å; Q199-L203 WeakPolarHBondContact O-CG 3.43Å; Q199-L203 PolarHBondContact O-N 3.47Å; Q199-L203 VanDerWaalsContact O-N 3.08Å |
| 200 | L | 98.4 | Very high | 98.2 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 173.7 | -74.2 | 166.6 | 0 | 0 | 0 | 110.7 | L196 R197 S202 L203 E204 | L196-L200 WeakPolarHBondContact O-CB 3.28Å; L196-L200 WeakPolarHBondContact O-CG 3.28Å; L196-L200 PolarHBondContact O-N 2.94Å; R197-L200 PolarHBondContact O-N 2.91Å; L200-S202 PolarHBondContact O-N 3.36Å; L200-L203 PolarHBondContact O-N 3.07Å; L200-E204 WeakPolarHBondContact O-CB 3.44Å; L200-E204 VanDerWaalsContact O-CG 3.28Å; L200-E204 WeakPolarHBondContact O-CG 3.33Å; L200-E204 PolarHBondContact O-N 2.84Å |
| 201 | Q | 98.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 95.8 Ų | 95.8 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.5 | -75.4 | 172.9 | -21.8 | 0 | 0 | 113.1 | R197 R198 T205 | R197-Q201 WeakPolarHBondContact O-CB 3.42Å; R197-Q201 VanDerWaalsContact O-CG 3.28Å; R197-Q201 WeakPolarHBondContact O-CG 3.49Å; R197-Q201 PolarHBondContact O-N 2.76Å; R198-Q201 PolarHBondContact O-N 3.1Å; Q201-T205 PolarHBondContact O-N 3.13Å; Q201-T205 PolarHBondContact O-OG1 3.21Å |
| 202 | S | 98.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 95.6 Ų | 95.6 | 34% | 0.336 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 174.9 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | R198 Q199 L200 T205 E206 | R198-S202 PolarHBondContact O-N 2.71Å; R198-S202 VanDerWaalsContact O-N 3.08Å; R198-S202 PolarHBondContact O-OG 3.46Å; Q199-S202 WeakPolarHBondContact CA-OG 3.44Å; Q199-S202 PolarHBondContact O-N 3.3Å; Q199-S202 PolarHBondContact O-OG 3.43Å; L200-S202 PolarHBondContact O-N 3.36Å; S202-T205 WeakPolarHBondContact CA-OG1 3.21Å; S202-T205 PolarHBondContact O-N 2.91Å; S202-T205 PolarHBondContact O-OG1 2.95Å; S202-E206 WeakPolarHBondContact O-CG 3.37Å; S202-E206 PolarHBondContact O-N 3.27Å |
| 203 | L | 98.1 | Very high | 98 | Very high | 101 Ų | 101 | 96.3 Ų | 96.3 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 177.4 | -69.8 | 169.4 | 0 | 0 | 0 | 112.3 | Q199 L200 E206 Q207 | Q199-L203 VanDerWaalsContact O-CG 3.3Å; Q199-L203 WeakPolarHBondContact O-CG 3.43Å; Q199-L203 PolarHBondContact O-N 3.47Å; Q199-L203 VanDerWaalsContact O-N 3.08Å; L200-L203 PolarHBondContact O-N 3.07Å; L203-E206 PolarHBondContact O-N 2.99Å; L203-Q207 VanDerWaalsContact O-CB 3.32Å; L203-Q207 WeakPolarHBondContact O-CB 3.5Å; L203-Q207 PolarHBondContact O-N 3.27Å |
| 204 | E | 98.3 | Very high | 98 | Very high | 113 Ų | 113 | 101.2 Ų | 101.2 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 171.6 | -74.5 | 167.7 | 175.1 | 0 | 0 | 110.8 | L200 L208 | L200-E204 WeakPolarHBondContact O-CB 3.44Å; L200-E204 VanDerWaalsContact O-CG 3.28Å; L200-E204 WeakPolarHBondContact O-CG 3.33Å; L200-E204 PolarHBondContact O-N 2.84Å; E204-L208 VanDerWaalsContact O-CG 3.29Å; E204-L208 WeakPolarHBondContact O-CG 3.38Å; E204-L208 PolarHBondContact O-N 2.99Å |
| 205 | T | 97.9 | Very high | 97.9 | Very high | 78 Ų | 78 | 101.3 Ų | 101.3 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 174.5 | 47.7 | 0 | 0 | 0 | 0 | 113.1 | Q201 S202 Q207 L208 E209 | Q201-T205 PolarHBondContact O-N 3.13Å; Q201-T205 PolarHBondContact O-OG1 3.21Å; S202-T205 WeakPolarHBondContact CA-OG1 3.21Å; S202-T205 PolarHBondContact O-N 2.91Å; S202-T205 PolarHBondContact O-OG1 2.95Å; T205-Q207 VanDerWaalsContact C-N 3.29Å; T205-Q207 PolarHBondContact O-N 3.3Å; T205-L208 PolarHBondContact O-N 3.2Å; T205-E209 WeakPolarHBondContact O-CG 3.45Å; T205-E209 PolarHBondContact O-N 2.85Å |
| 206 | E | 97.9 | Very high | 97.8 | Very high | 114 Ų | 114 | 102.6 Ų | 102.6 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 176.3 | -74.4 | 172.2 | -154.1 | 0 | 0 | 111.7 | S202 L203 A210 | S202-E206 WeakPolarHBondContact O-CG 3.37Å; S202-E206 PolarHBondContact O-N 3.27Å; L203-E206 PolarHBondContact O-N 2.99Å; E206-A210 VanDerWaalsContact O-CB 3.29Å; E206-A210 WeakPolarHBondContact O-CB 3.44Å; E206-A210 PolarHBondContact O-N 3.39Å |
| 207 | Q | 97.8 | Very high | 97.7 | Very high | 115 Ų | 115 | 102.8 Ų | 102.8 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 174.1 | 178.5 | 174.1 | -21.2 | 0 | 0 | 111.6 | L203 T205 A210 E211 | L203-Q207 VanDerWaalsContact O-CB 3.32Å; L203-Q207 WeakPolarHBondContact O-CB 3.5Å; L203-Q207 PolarHBondContact O-N 3.27Å; T205-Q207 VanDerWaalsContact C-N 3.29Å; T205-Q207 PolarHBondContact O-N 3.3Å; Q207-A210 PolarHBondContact O-N 2.91Å; Q207-E211 HydrophobicContact CG-CG 4.47Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.28Å; Q207-E211 PolarHBondContact NE2-OE1 3.16Å; Q207-E211 WeakPolarHBondContact O-CG 3.35Å; Q207-E211 PolarHBondContact O-N 3.47Å |
| 208 | L | 97.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 178.7 | -72.4 | 168.2 | 0 | 0 | 0 | 112 | E204 T205 E211 L212 | E204-L208 VanDerWaalsContact O-CG 3.29Å; E204-L208 WeakPolarHBondContact O-CG 3.38Å; E204-L208 PolarHBondContact O-N 2.99Å; T205-L208 PolarHBondContact O-N 3.2Å; L208-E211 PolarHBondContact O-N 2.88Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 3.33Å |
| 209 | E | 97.8 | Very high | 97.5 | Very high | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 173 | -72 | 179.2 | -179.7 | 0 | 0 | 111.5 | T205 E211 L212 H213 | T205-E209 WeakPolarHBondContact O-CG 3.45Å; T205-E209 PolarHBondContact O-N 2.85Å; E209-E211 VanDerWaalsContact C-N 3.33Å; E209-E211 PolarHBondContact O-N 3.41Å; E209-L212 PolarHBondContact O-N 3.04Å; E209-H213 PolarHBondContact O-CD2 3.5Å; E209-H213 PolarHBondContact O-N 3.07Å |
| 210 | A | 97.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 96 Ų | 96 | 28% | 0.281 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -32.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E206 Q207 R214 | E206-A210 VanDerWaalsContact O-CB 3.29Å; E206-A210 WeakPolarHBondContact O-CB 3.44Å; E206-A210 PolarHBondContact O-N 3.39Å; Q207-A210 PolarHBondContact O-N 2.91Å; A210-R214 VanDerWaalsContact O-CG 3.23Å; A210-R214 WeakPolarHBondContact O-CG 3.24Å; A210-R214 PolarHBondContact O-N 3.1Å |
| 211 | E | 97.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 95 Ų | 95 | 36% | 0.355 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.9 | -45.3 | 173.7 | -75.2 | 173.4 | -168.4 | 0 | 0 | 111.7 | Q207 L208 E209 H213 R214 D215 | Q207-E211 HydrophobicContact CG-CG 4.47Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.28Å; Q207-E211 PolarHBondContact NE2-OE1 3.16Å; Q207-E211 WeakPolarHBondContact O-CG 3.35Å; Q207-E211 PolarHBondContact O-N 3.47Å; L208-E211 PolarHBondContact O-N 2.88Å; E209-E211 VanDerWaalsContact C-N 3.33Å; E209-E211 PolarHBondContact O-N 3.41Å; E211-H213 VanDerWaalsContact C-N 3.32Å; E211-H213 PolarHBondContact O-N 2.81Å; E211-R214 VanDerWaalsContact CG-NH1 3.3Å; E211-R214 PolarHBondContact O-N 3.45Å; E211-R214 VanDerWaalsContact O-N 3.17Å; E211-D215 PolarHBondContact O-N 3.35Å |
| 212 | L | 97.5 | Very high | 96.9 | Very high | 105 Ų | 105 | 95.2 Ų | 95.2 | 55% | 0.55 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 174.1 | -72.1 | 170.6 | 0 | 0 | 0 | 111.9 | L208 E209 D215 E216 | L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 3.33Å; E209-L212 PolarHBondContact O-N 3.04Å; L212-D215 PolarHBondContact O-N 3.46Å; L212-E216 WeakPolarHBondContact O-CG 3.48Å; L212-E216 PolarHBondContact O-N 3.01Å |
| 213 | H | 96.3 | Very high | 96.7 | Very high | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.3 | -34.4 | 176.7 | -72.3 | -35.3 | 0 | 0 | 0 | 113.7 | E209 E211 D215 E216 L217 | E209-H213 PolarHBondContact O-CD2 3.5Å; E209-H213 PolarHBondContact O-N 3.07Å; E211-H213 VanDerWaalsContact C-N 3.32Å; E211-H213 PolarHBondContact O-N 2.81Å; H213-D215 VanDerWaalsContact C-N 3.35Å; H213-E216 IonicContact CE1-OE2 2.79Å; H213-E216 IonicContact CG-OE2 2.85Å; H213-E216 IonicContact ND1-OE2 3.72Å; H213-E216 PolarHBondContact ND1-OE2 3.36Å; H213-E216 PolarHBondContact O-N 2.94Å; H213-L217 WeakPolarHBondContact O-CB 3.47Å; H213-L217 PolarHBondContact O-N 2.99Å |
| 214 | R | 97.2 | Very high | 96.5 | Very high | 139 Ų | 139 | 100.4 Ų | 100.4 | 53% | 0.525 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 171.2 | -75.5 | 171.4 | -156.3 | 126.9 | 4.4 | 111.1 | A210 E211 L217 Q218 | A210-R214 VanDerWaalsContact O-CG 3.23Å; A210-R214 WeakPolarHBondContact O-CG 3.24Å; A210-R214 PolarHBondContact O-N 3.1Å; E211-R214 VanDerWaalsContact CG-NH1 3.3Å; E211-R214 PolarHBondContact O-N 3.45Å; E211-R214 VanDerWaalsContact O-N 3.17Å; R214-L217 PolarHBondContact O-N 3.01Å; R214-Q218 WeakPolarHBondContact O-CB 3.47Å; R214-Q218 WeakPolarHBondContact O-CG 3.34Å; R214-Q218 PolarHBondContact O-N 3.06Å |
| 215 | D | 96.8 | Very high | 96.1 | Very high | 80 Ų | 80 | 98.4 Ų | 98.4 | 43% | 0.428 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.5 | -34.8 | 177.9 | -82.3 | 4.8 | 0 | 0 | 0 | 112.3 | E211 L212 H213 Q218 R219 | E211-D215 PolarHBondContact O-N 3.35Å; L212-D215 PolarHBondContact O-N 3.46Å; H213-D215 VanDerWaalsContact C-N 3.35Å; D215-Q218 PolarHBondContact O-N 2.95Å; D215-Q218 PolarHBondContact OD1-NE2 2.72Å; D215-R219 VanDerWaalsContact O-CB 3.31Å; D215-R219 WeakPolarHBondContact O-CB 3.32Å; D215-R219 VanDerWaalsContact O-CG 3.24Å; D215-R219 WeakPolarHBondContact O-CG 3.31Å; D215-R219 PolarHBondContact O-N 2.69Å; D215-R219 PolarHBondContact O-NE 3.48Å; D215-R219 VanDerWaalsContact O-NE 3.08Å |
| 216 | E | 97.4 | Very high | 95.8 | Very high | 97 Ų | 97 | 98.6 Ų | 98.6 | 45% | 0.453 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 171.1 | -76.7 | 174.3 | 155 | 0 | 0 | 111.5 | L212 H213 R219 S220 | L212-E216 WeakPolarHBondContact O-CG 3.48Å; L212-E216 PolarHBondContact O-N 3.01Å; H213-E216 IonicContact CE1-OE2 2.79Å; H213-E216 IonicContact CG-OE2 2.85Å; H213-E216 IonicContact ND1-OE2 3.72Å; H213-E216 PolarHBondContact ND1-OE2 3.36Å; H213-E216 PolarHBondContact O-N 2.94Å; E216-R219 VanDerWaalsContact CG-NH1 3.31Å; E216-R219 PolarHBondContact O-N 3.12Å; E216-S220 WeakPolarHBondContact O-CB 3.38Å; E216-S220 PolarHBondContact O-N 3.13Å |
| 217 | L | 96 | Very high | 95.5 | Very high | 106 Ų | 106 | 98.7 Ų | 98.7 | 56% | 0.555 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 176.4 | -175.6 | 61.5 | 0 | 0 | 0 | 111.9 | H213 R214 S220 N221 | H213-L217 WeakPolarHBondContact O-CB 3.47Å; H213-L217 PolarHBondContact O-N 2.99Å; R214-L217 PolarHBondContact O-N 3.01Å; L217-S220 PolarHBondContact O-N 2.93Å; L217-N221 WeakPolarHBondContact O-CB 3.41Å; L217-N221 VanDerWaalsContact O-CG 3.26Å; L217-N221 PolarHBondContact O-N 3.31Å |
| 218 | Q | 95.9 | Very high | 95.2 | Very high | 96 Ų | 96 | 93.3 Ų | 93.3 | 45% | 0.449 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 173.4 | -77 | -179.5 | 58.9 | 0 | 0 | 112.3 | R214 D215 S220 N221 K222 | R214-Q218 WeakPolarHBondContact O-CB 3.47Å; R214-Q218 WeakPolarHBondContact O-CG 3.34Å; R214-Q218 PolarHBondContact O-N 3.06Å; D215-Q218 PolarHBondContact O-N 2.95Å; D215-Q218 PolarHBondContact OD1-NE2 2.72Å; Q218-S220 VanDerWaalsContact C-N 3.35Å; Q218-N221 PolarHBondContact O-N 3.03Å; Q218-K222 WeakPolarHBondContact O-CG 3.43Å; Q218-K222 PolarHBondContact O-N 3.46Å |
| 219 | R | 96.3 | Very high | 94.7 | Very high | 124 Ų | 124 | 92.6 Ų | 92.6 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.1 | -78.4 | 175.3 | -96.4 | 125.3 | -5.6 | 111.1 | D215 E216 Q223 | D215-R219 VanDerWaalsContact O-CB 3.31Å; D215-R219 WeakPolarHBondContact O-CB 3.32Å; D215-R219 VanDerWaalsContact O-CG 3.24Å; D215-R219 WeakPolarHBondContact O-CG 3.31Å; D215-R219 PolarHBondContact O-N 2.69Å; D215-R219 PolarHBondContact O-NE 3.48Å; D215-R219 VanDerWaalsContact O-NE 3.08Å; E216-R219 VanDerWaalsContact CG-NH1 3.31Å; E216-R219 PolarHBondContact O-N 3.12Å; R219-Q223 WeakPolarHBondContact O-CG 3.3Å; R219-Q223 PolarHBondContact O-N 2.97Å |
| 220 | S | 95 | Very high | 94.4 | Very high | 35 Ų | 35 | 93.5 Ų | 93.5 | 25% | 0.245 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | E216 L217 Q218 K222 Q223 Y224 | E216-S220 WeakPolarHBondContact O-CB 3.38Å; E216-S220 PolarHBondContact O-N 3.13Å; L217-S220 PolarHBondContact O-N 2.93Å; Q218-S220 VanDerWaalsContact C-N 3.35Å; S220-K222 PolarHBondContact O-N 2.89Å; S220-Q223 WeakPolarHBondContact O-CB 3.4Å; S220-Q223 PolarHBondContact O-N 3.4Å; S220-Y224 WeakPolarHBondContact O-CD2 3.35Å; S220-Y224 PolarHBondContact O-N 2.87Å; S220-Y224 VanDerWaalsContact OG-CE2 3.23Å; S220-Y224 WeakPolarHBondContact OG-CE2 3.28Å |
| 221 | N | 93.9 | Very high | 94.1 | Very high | 78 Ų | 78 | 94.3 Ų | 94.3 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 176.9 | -74.8 | -7.7 | 0 | 0 | 0 | 111.6 | L217 Q218 Q223 Y224 E225 | L217-N221 WeakPolarHBondContact O-CB 3.41Å; L217-N221 VanDerWaalsContact O-CG 3.26Å; L217-N221 PolarHBondContact O-N 3.31Å; Q218-N221 PolarHBondContact O-N 3.03Å; N221-Q223 VanDerWaalsContact C-N 3.31Å; N221-Q223 PolarHBondContact O-N 3.26Å; N221-Y224 PolarHBondContact O-N 3.29Å; N221-E225 WeakPolarHBondContact O-CG 3.4Å; N221-E225 PolarHBondContact O-N 3.16Å |
| 222 | K | 92.8 | Very high | 93.7 | Very high | 121 Ų | 121 | 91.4 Ų | 91.4 | 53% | 0.526 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 175.5 | -73.9 | 172.2 | 178.7 | 172.7 | 0 | 112.6 | Q218 S220 Y224 E225 E226 | Q218-K222 WeakPolarHBondContact O-CG 3.43Å; Q218-K222 PolarHBondContact O-N 3.46Å; S220-K222 PolarHBondContact O-N 2.89Å; K222-Y224 VanDerWaalsContact C-N 3.32Å; K222-Y224 PolarHBondContact O-N 3.07Å; K222-E225 PolarHBondContact O-N 2.98Å; K222-E226 WeakPolarHBondContact O-CB 3.38Å; K222-E226 WeakPolarHBondContact O-CG 3.39Å; K222-E226 PolarHBondContact O-N 3.21Å |
| 223 | Q | 95.1 | Very high | 93.4 | Very high | 127 Ų | 127 | 93.3 Ų | 93.3 | 59% | 0.593 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.9 | -35.6 | 174.9 | -71.3 | 171.5 | 5.4 | 0 | 0 | 112.7 | R219 S220 N221 F227 | R219-Q223 WeakPolarHBondContact O-CG 3.3Å; R219-Q223 PolarHBondContact O-N 2.97Å; S220-Q223 WeakPolarHBondContact O-CB 3.4Å; S220-Q223 PolarHBondContact O-N 3.4Å; N221-Q223 VanDerWaalsContact C-N 3.31Å; N221-Q223 PolarHBondContact O-N 3.26Å; Q223-F227 WeakPolarHBondContact O-CB 3.41Å; Q223-F227 PolarHBondContact O-N 3.32Å; Q223-F227 VanDerWaalsContact O-N 3.15Å |
| 224 | Y | 92.6 | Very high | 93.1 | Very high | 131 Ų | 131 | 93 Ų | 93 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.1 | -39 | 174 | -67.1 | -52.8 | 0 | 0 | 0 | 112.4 | S220 N221 K222 F227 V228 | S220-Y224 WeakPolarHBondContact O-CD2 3.35Å; S220-Y224 PolarHBondContact O-N 2.87Å; S220-Y224 VanDerWaalsContact OG-CE2 3.23Å; S220-Y224 WeakPolarHBondContact OG-CE2 3.28Å; N221-Y224 PolarHBondContact O-N 3.29Å; K222-Y224 VanDerWaalsContact C-N 3.32Å; K222-Y224 PolarHBondContact O-N 3.07Å; Y224-F227 WeakPolarHBondContact O-CB 3.18Å; Y224-F227 PolarHBondContact O-N 2.67Å; Y224-V228 PolarHBondContact O-N 2.81Å |
| 225 | E | 91.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 88.1 Ų | 88.1 | 33% | 0.332 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -50.8 | 174.9 | -70.5 | 176.9 | 133 | 0 | 0 | 111.2 | N221 K222 F227 V228 E229 F246 R249 | N221-E225 WeakPolarHBondContact O-CG 3.4Å; N221-E225 PolarHBondContact O-N 3.16Å; K222-E225 PolarHBondContact O-N 2.98Å; E225-F227 PolarHBondContact O-N 3.4Å; E225-V228 PolarHBondContact O-N 3.43Å; E225-V228 VanDerWaalsContact O-N 3.12Å; E225-E229 WeakPolarHBondContact O-CG 3.32Å; E225-E229 PolarHBondContact O-N 3.03Å; E225-F246 HydrophobicContact CG-CD2 4Å; E225-R249 IonicContact OE1-NH2 2.96Å |
| 226 | E | 91.1 | Very high | 92.3 | Very high | 82 Ų | 82 | 91 Ų | 91 | 38% | 0.383 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -53.9 | -38.1 | 172.5 | -76.9 | -179.5 | -148.4 | 0 | 0 | 112.6 | K222 R230 | K222-E226 WeakPolarHBondContact O-CB 3.38Å; K222-E226 WeakPolarHBondContact O-CG 3.39Å; K222-E226 PolarHBondContact O-N 3.21Å; E226-R230 WeakPolarHBondContact O-CB 3.49Å; E226-R230 WeakPolarHBondContact O-CD 3.44Å; E226-R230 WeakPolarHBondContact O-CG 3.3Å; E226-R230 PolarHBondContact O-N 3.29Å; E226-R230 IonicContact OE2-CZ 2.94Å; E226-R230 VanDerWaalsContact OE2-CZ 3.3Å; E226-R230 IonicContact OE2-NH1 3.28Å; E226-R230 PolarHBondContact OE2-NH1 3.5Å; E226-R230 VanDerWaalsContact OE2-NH1 3.14Å; E226-R230 IonicContact OE2-NH2 2.7Å; E226-R230 PolarHBondContact OE2-NH2 3.48Å |
| 227 | F | 92.4 | Very high | 91.8 | Very high | 117 Ų | 117 | 87.6 Ų | 87.6 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 178.7 | 172.8 | -104.9 | 0 | 0 | 0 | 112.2 | Q223 Y224 E225 L231 | Q223-F227 WeakPolarHBondContact O-CB 3.41Å; Q223-F227 PolarHBondContact O-N 3.32Å; Q223-F227 VanDerWaalsContact O-N 3.15Å; Y224-F227 WeakPolarHBondContact O-CB 3.18Å; Y224-F227 PolarHBondContact O-N 2.67Å; E225-F227 PolarHBondContact O-N 3.4Å; F227-L231 HydrophobicContact CD1-CD1 4.07Å; F227-L231 HydrophobicContact CE1-CD1 3.51Å; F227-L231 HydrophobicContact CE1-CG 4.37Å; F227-L231 HydrophobicContact CE2-CD1 4.31Å; F227-L231 HydrophobicContact CE2-CG 4.38Å; F227-L231 HydrophobicContact CZ-CD1 3.65Å; F227-L231 HydrophobicContact CZ-CG 4.19Å; F227-L231 WeakPolarHBondContact O-CG 3.25Å; F227-L231 PolarHBondContact O-N 3.37Å |
| 228 | V | 90.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 89.4 Ų | 89.4 | 1% | 0.012 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | Y224 E225 L231 S232 F246 R249 L250 V253 | Y224-V228 PolarHBondContact O-N 2.81Å; E225-V228 PolarHBondContact O-N 3.43Å; E225-V228 VanDerWaalsContact O-N 3.12Å; V228-L231 PolarHBondContact O-N 3.18Å; V228-S232 WeakPolarHBondContact O-CB 3.27Å; V228-S232 PolarHBondContact O-N 3.43Å; V228-S232 PolarHBondContact O-OG 2.92Å; V228-F246 HydrophobicContact CB-CE2 4.1Å; V228-F246 HydrophobicContact CG2-CD2 4.23Å; V228-F246 HydrophobicContact CG2-CE2 3.41Å; V228-F246 VanDerWaalsContact CG2-CE2 3.41Å; V228-F246 HydrophobicContact CG2-CZ 3.82Å; V228-R249 HydrophobicContact CG1-CB 3.88Å; V228-L250 HydrophobicContact CG2-CD1 4.17Å; V228-V253 HydrophobicContact CG1-CG2 4.39Å |
| 229 | E | 89.1 | Confident | 89.6 | Confident | 86 Ų | 86 | 88.8 Ų | 88.8 | 40% | 0.402 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.9 | -52 | 172.3 | -73.9 | 167.1 | -170.2 | 0 | 0 | 111.2 | E225 L231 S232 E233 R249 | E225-E229 WeakPolarHBondContact O-CG 3.32Å; E225-E229 PolarHBondContact O-N 3.03Å; E229-L231 VanDerWaalsContact C-N 3.27Å; E229-L231 PolarHBondContact O-N 2.7Å; E229-S232 WeakPolarHBondContact O-CA 3.42Å; E229-S232 WeakPolarHBondContact O-CB 3.42Å; E229-S232 PolarHBondContact O-N 2.92Å; E229-E233 WeakPolarHBondContact O-CG 3.3Å; E229-E233 PolarHBondContact O-N 2.89Å; E229-R249 IonicContact OE1-CZ 2.67Å; E229-R249 IonicContact OE1-NH1 3.78Å; E229-R249 PolarHBondContact OE1-NH1 3.28Å; E229-R249 IonicContact OE1-NH2 3.96Å |
| 230 | R | 91.3 | Very high | 88.5 | Confident | 137 Ų | 137 | 84.8 Ų | 84.8 | 52% | 0.517 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.7 | -36.7 | 175.1 | -70.8 | 167 | -172.5 | 140.8 | 11.3 | 113 | E226 T234 | E226-R230 WeakPolarHBondContact O-CB 3.49Å; E226-R230 WeakPolarHBondContact O-CD 3.44Å; E226-R230 WeakPolarHBondContact O-CG 3.3Å; E226-R230 PolarHBondContact O-N 3.29Å; E226-R230 IonicContact OE2-CZ 2.94Å; E226-R230 VanDerWaalsContact OE2-CZ 3.3Å; E226-R230 IonicContact OE2-NH1 3.28Å; E226-R230 PolarHBondContact OE2-NH1 3.5Å; E226-R230 VanDerWaalsContact OE2-NH1 3.14Å; E226-R230 IonicContact OE2-NH2 2.7Å; E226-R230 PolarHBondContact OE2-NH2 3.48Å; R230-T234 VanDerWaalsContact O-CB 3.27Å; R230-T234 WeakPolarHBondContact O-CB 3.43Å; R230-T234 PolarHBondContact O-N 3.4Å; R230-T234 PolarHBondContact O-OG1 2.87Å |
| 231 | L | 90.6 | Very high | 87.5 | Confident | 51 Ų | 51 | 87.2 Ų | 87.2 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 172.2 | -77.5 | 177.1 | 0 | 0 | 0 | 112.1 | F227 V228 E229 T234 M235 V253 | F227-L231 HydrophobicContact CD1-CD1 4.07Å; F227-L231 HydrophobicContact CE1-CD1 3.51Å; F227-L231 HydrophobicContact CE1-CG 4.37Å; F227-L231 HydrophobicContact CE2-CD1 4.31Å; F227-L231 HydrophobicContact CE2-CG 4.38Å; F227-L231 HydrophobicContact CZ-CD1 3.65Å; F227-L231 HydrophobicContact CZ-CG 4.19Å; F227-L231 WeakPolarHBondContact O-CG 3.25Å; F227-L231 PolarHBondContact O-N 3.37Å; V228-L231 PolarHBondContact O-N 3.18Å; E229-L231 VanDerWaalsContact C-N 3.27Å; E229-L231 PolarHBondContact O-N 2.7Å; L231-T234 PolarHBondContact O-N 2.87Å; L231-M235 VanDerWaalsContact O-CB 3.31Å; L231-M235 WeakPolarHBondContact O-CB 3.35Å; L231-M235 VanDerWaalsContact O-CG 3.31Å; L231-M235 WeakPolarHBondContact O-CG 3.29Å; L231-M235 PolarHBondContact O-N 3.22Å; L231-V253 HydrophobicContact CB-CG1 4.06Å; L231-V253 HydrophobicContact CD1-CG1 4.38Å |
| 232 | S | 90.4 | Very high | 86.4 | Confident | 15 Ų | 15 | 88.4 Ų | 88.4 | 11% | 0.105 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 179.5 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | V228 E229 K236 V237 I240 V253 | V228-S232 WeakPolarHBondContact O-CB 3.27Å; V228-S232 PolarHBondContact O-N 3.43Å; V228-S232 PolarHBondContact O-OG 2.92Å; E229-S232 WeakPolarHBondContact O-CA 3.42Å; E229-S232 WeakPolarHBondContact O-CB 3.42Å; E229-S232 PolarHBondContact O-N 2.92Å; S232-K236 PolarHBondContact O-N 2.87Å; S232-K236 VanDerWaalsContact O-N 3.08Å; S232-V237 PolarHBondContact O-N 2.8Å; S232-I240 WeakPolarHBondContact OG-CD1 3.46Å; S232-V253 WeakPolarHBondContact OG-CG2 3.38Å |
| 233 | E | 89.4 | Confident | 85.8 | Confident | 145 Ų | 145 | 90 Ų | 90 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.1 | -53.5 | 171.9 | -67.4 | 178.6 | 150.6 | 0 | 0 | 111.4 | E229 M235 K236 | E229-E233 WeakPolarHBondContact O-CG 3.3Å; E229-E233 PolarHBondContact O-N 2.89Å; E233-M235 PolarHBondContact O-N 2.99Å; E233-K236 PolarHBondContact O-N 3.4Å; E233-K236 VanDerWaalsContact O-N 3.09Å |
| 234 | T | 90.2 | Very high | 85.2 | Confident | 113 Ų | 113 | 86.5 Ų | 86.5 | 69% | 0.693 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.8 | -38.6 | -177.3 | -61.6 | 0 | 0 | 0 | 0 | 112 | R230 L231 | R230-T234 VanDerWaalsContact O-CB 3.27Å; R230-T234 WeakPolarHBondContact O-CB 3.43Å; R230-T234 PolarHBondContact O-N 3.4Å; R230-T234 PolarHBondContact O-OG1 2.87Å; L231-T234 PolarHBondContact O-N 2.87Å |
| 235 | M | 89.3 | Confident | 85 | Confident | 36 Ų | 36 | 82.4 Ų | 82.4 | 18% | 0.177 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.4 | -177.1 | -63.7 | 175.8 | 61.2 | 0 | 0 | 113.8 | L231 E233 V237 V253 R256 A257 L260 | L231-M235 VanDerWaalsContact O-CB 3.31Å; L231-M235 WeakPolarHBondContact O-CB 3.35Å; L231-M235 VanDerWaalsContact O-CG 3.31Å; L231-M235 WeakPolarHBondContact O-CG 3.29Å; L231-M235 PolarHBondContact O-N 3.22Å; E233-M235 PolarHBondContact O-N 2.99Å; M235-V237 HydrophobicContact CB-CG2 4.22Å; M235-V253 HydrophobicContact CE-CG1 4.33Å; M235-V253 WeakPolarHBondContact CE-O 3.46Å; M235-V253 HydrophobicContact SD-CG1 3.77Å; M235-R256 HydrophobicContact CB-CG 4.16Å; M235-R256 HydrophobicContact CE-CB 4.2Å; M235-R256 HydrophobicContact CE-CG 4.2Å; M235-R256 PolarHBondContact O-NE 3.12Å; M235-A257 VanDerWaalsContact CE-CA 3.41Å; M235-A257 HydrophobicContact CE-CB 3.48Å; M235-A257 VanDerWaalsContact CE-CB 3.48Å; M235-L260 HydrophobicContact CE-CD1 4.42Å |
| 236 | K | 89.1 | Confident | 84.7 | Confident | 141 Ų | 141 | 82.2 Ų | 82.2 | 61% | 0.613 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 62.6 | -177.4 | -56.5 | -177.2 | -177.4 | -176.7 | 0 | 110.9 | S232 E233 D238 R256 | S232-K236 PolarHBondContact O-N 2.87Å; S232-K236 VanDerWaalsContact O-N 3.08Å; E233-K236 PolarHBondContact O-N 3.4Å; E233-K236 VanDerWaalsContact O-N 3.09Å; K236-D238 VanDerWaalsContact C-N 3.3Å; K236-D238 PolarHBondContact O-N 3.43Å; K236-R256 PolarHBondContact O-NE 2.99Å; K236-R256 PolarHBondContact O-NH2 2.91Å |
| 237 | V | 86 | Confident | 84.7 | Confident | 26 Ų | 26 | 83.2 Ų | 83.2 | 16% | 0.158 | 45% | 0.452 | C | S | . | . | trans | -87.1 | 76.6 | 169.2 | -165.2 | 0 | 0 | 0 | 0 | 107.4 | S232 M235 I240 L252 V253 R256 | S232-V237 PolarHBondContact O-N 2.8Å; M235-V237 HydrophobicContact CB-CG2 4.22Å; V237-I240 HydrophobicContact CB-CD1 3.9Å; V237-I240 HydrophobicContact CB-CG1 4.18Å; V237-I240 HydrophobicContact CG1-CD1 3.69Å; V237-I240 HydrophobicContact CG1-CG1 3.7Å; V237-L252 HydrophobicContact CG1-CB 4.21Å; V237-V253 HydrophobicContact CG2-CG2 4.21Å; V237-R256 HydrophobicContact CG2-CB 3.89Å; V237-R256 HydrophobicContact CG2-CG 3.91Å | ||
| 238 | D | 76.4 | Confident | 84.6 | Confident | 144 Ų | 144 | 82.2 Ų | 82.2 | 77% | 0.77 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 136.6 | -176.8 | -54.8 | -49 | 0 | 0 | 0 | 110.9 | K236 | K236-D238 VanDerWaalsContact C-N 3.3Å; K236-D238 PolarHBondContact O-N 3.43Å |
| 239 | G | 70.8 | Confident | 84.5 | Confident | 82 Ų | 82 | 83 Ų | 83 | 85% | 0.845 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 23.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | D241 | G239-D241 PolarHBondContact O-N 3.22Š|
| 240 | I | 71.8 | Confident | 84.6 | Confident | 40 Ų | 40 | 82.4 Ų | 82.4 | 21% | 0.205 | 45% | 0.453 | C | S | . | . | trans | -67 | 122 | 162.1 | -61.5 | -174.6 | 0 | 0 | 0 | 109 | S232 V237 R249 L252 | S232-I240 WeakPolarHBondContact OG-CD1 3.46Å; V237-I240 HydrophobicContact CB-CD1 3.9Å; V237-I240 HydrophobicContact CB-CG1 4.18Å; V237-I240 HydrophobicContact CG1-CD1 3.69Å; V237-I240 HydrophobicContact CG1-CG1 3.7Å; I240-R249 HydrophobicContact CG2-CB 4.45Å; I240-R249 HydrophobicContact CG2-CG 3.66Å; I240-L252 HydrophobicContact CG1-CD1 4.17Å | ||
| 241 | D | 74.9 | Confident | 84.6 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | trans | -67.7 | 129.1 | 169.6 | -171.2 | -31.2 | 0 | 0 | 0 | 109.9 | G239 D243 L244 | G239-D241 PolarHBondContact O-N 3.22Å; D241-D243 PolarHBondContact O-N 3.15Å; D241-D243 PolarHBondContact OD1-N 2.98Å; D241-L244 HydrophobicContact CB-CB 4.29Å; D241-L244 WeakPolarHBondContact O-CB 3.38Å; D241-L244 PolarHBondContact O-N 3.43Å; D241-L244 VanDerWaalsContact O-N 3.09Å | ||
| 242 | P | 71 | Confident | 84.7 | Confident | 103 Ų | 103 | 82.7 Ų | 82.7 | 67% | 0.669 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.1 | 177.7 | 25.6 | -35.5 | 0 | 0 | 0 | 113.4 | L244 | P242-L244 PolarHBondContact O-N 2.88Š|
| 243 | D | 80.1 | Confident | 84.8 | Confident | 153 Ų | 153 | 82.4 Ų | 82.4 | 82% | 0.818 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2 | 178.1 | -69.7 | -18.8 | 0 | 0 | 0 | 112.4 | D241 G245 | D241-D243 PolarHBondContact O-N 3.15Å; D241-D243 PolarHBondContact OD1-N 2.98Å; D243-G245 PolarHBondContact O-N 3.25Å |
| 244 | L | 82.9 | Confident | 84.9 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 29% | 0.288 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -72.1 | 121 | 177.4 | -148.5 | 78.9 | 0 | 0 | 0 | 110.6 | D241 P242 M248 R249 L252 | D241-L244 HydrophobicContact CB-CB 4.29Å; D241-L244 WeakPolarHBondContact O-CB 3.38Å; D241-L244 PolarHBondContact O-N 3.43Å; D241-L244 VanDerWaalsContact O-N 3.09Å; P242-L244 PolarHBondContact O-N 2.88Å; L244-M248 HydrophobicContact CD2-CB 3.73Å; L244-M248 HydrophobicContact CG-CB 3.83Å; L244-R249 HydrophobicContact CB-CG 3.99Å; L244-R249 HydrophobicContact CD2-CG 4.31Å; L244-R249 VanDerWaalsContact O-CD 3.32Å; L244-R249 WeakPolarHBondContact O-CD 3.44Å; L244-R249 VanDerWaalsContact O-CG 3.29Å; L244-R249 WeakPolarHBondContact O-CG 3.46Å; L244-R249 PolarHBondContact O-NE 3.44Å; L244-L252 HydrophobicContact CD2-CD1 3.63Å |
| 245 | G | 86.6 | Confident | 85.1 | Confident | 45 Ų | 45 | 81.6 Ų | 81.6 | 46% | 0.464 | 45% | 0.446 | S | S | . | . | trans | -56.1 | 146.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D243 D247 M248 R249 | D243-G245 PolarHBondContact O-N 3.25Å; G245-D247 VanDerWaalsContact C-N 3.32Å; G245-D247 PolarHBondContact O-N 2.96Å; G245-D247 VanDerWaalsContact O-N 3.12Å; G245-M248 WeakPolarHBondContact O-CA 3.32Å; G245-M248 WeakPolarHBondContact O-CB 3.43Å; G245-M248 PolarHBondContact O-N 2.93Å; G245-R249 PolarHBondContact O-N 2.95Å | ||
| 246 | F | 86.2 | Confident | 85.3 | Confident | 66 Ų | 66 | 82.6 Ų | 82.6 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -42.1 | -50.5 | -173.9 | 176.9 | -94 | 0 | 0 | 0 | 114.4 | E225 V228 M248 R249 L250 | E225-F246 HydrophobicContact CG-CD2 4Å; V228-F246 HydrophobicContact CB-CE2 4.1Å; V228-F246 HydrophobicContact CG2-CD2 4.23Å; V228-F246 HydrophobicContact CG2-CE2 3.41Å; V228-F246 VanDerWaalsContact CG2-CE2 3.41Å; V228-F246 HydrophobicContact CG2-CZ 3.82Å; F246-M248 PolarHBondContact O-N 3.26Å; F246-R249 PolarHBondContact O-N 2.81Å; F246-R249 VanDerWaalsContact O-N 3.17Å; F246-L250 HydrophobicContact CE1-CD2 4Å; F246-L250 HydrophobicContact CZ-CD2 4.41Å; F246-L250 WeakPolarHBondContact O-CB 3.35Å; F246-L250 PolarHBondContact O-N 2.76Å |
| 247 | D | 90 | Very high | 85.5 | Confident | 103 Ų | 103 | 78 Ų | 78 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.8 | -33.4 | 179.3 | -78.3 | -15.4 | 0 | 0 | 0 | 113.8 | G245 K251 | G245-D247 VanDerWaalsContact C-N 3.32Å; G245-D247 PolarHBondContact O-N 2.96Å; G245-D247 VanDerWaalsContact O-N 3.12Å; D247-K251 WeakPolarHBondContact O-CB 3.49Å; D247-K251 WeakPolarHBondContact O-CD 3.35Å; D247-K251 WeakPolarHBondContact O-CE 3.17Å; D247-K251 WeakPolarHBondContact O-CG 3.39Å; D247-K251 PolarHBondContact O-N 3.06Å; D247-K251 VanDerWaalsContact O-N 3.11Å |
| 248 | M | 89.9 | Confident | 86 | Confident | 97 Ų | 97 | 80 Ų | 80 | 48% | 0.478 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -80.5 | -40.1 | 179.9 | -64.2 | -58.4 | -69.3 | 0 | 0 | 110.9 | L244 G245 F246 L250 K251 L252 | L244-M248 HydrophobicContact CD2-CB 3.73Å; L244-M248 HydrophobicContact CG-CB 3.83Å; G245-M248 WeakPolarHBondContact O-CA 3.32Å; G245-M248 WeakPolarHBondContact O-CB 3.43Å; G245-M248 PolarHBondContact O-N 2.93Å; F246-M248 PolarHBondContact O-N 3.26Å; M248-L250 VanDerWaalsContact C-N 3.34Å; M248-L250 PolarHBondContact O-N 2.74Å; M248-K251 PolarHBondContact O-N 2.95Å; M248-K251 HydrophobicContact SD-CD 3.87Å; M248-L252 WeakPolarHBondContact O-CG 3.46Å; M248-L252 PolarHBondContact O-N 2.76Å |
| 249 | R | 88.8 | Confident | 86.8 | Confident | 19 Ų | 19 | 77.1 Ų | 77.1 | 7% | 0.072 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 170.8 | -60.9 | -162.6 | -93.3 | 156.4 | -3.2 | 110.7 | E225 V228 E229 I240 L244 G245 F246 K251 L252 V253 | E225-R249 IonicContact OE1-NH2 2.96Å; V228-R249 HydrophobicContact CG1-CB 3.88Å; E229-R249 IonicContact OE1-CZ 2.67Å; E229-R249 IonicContact OE1-NH1 3.78Å; E229-R249 PolarHBondContact OE1-NH1 3.28Å; E229-R249 IonicContact OE1-NH2 3.96Å; I240-R249 HydrophobicContact CG2-CB 4.45Å; I240-R249 HydrophobicContact CG2-CG 3.66Å; L244-R249 HydrophobicContact CB-CG 3.99Å; L244-R249 HydrophobicContact CD2-CG 4.31Å; L244-R249 VanDerWaalsContact O-CD 3.32Å; L244-R249 WeakPolarHBondContact O-CD 3.44Å; L244-R249 VanDerWaalsContact O-CG 3.29Å; L244-R249 WeakPolarHBondContact O-CG 3.46Å; L244-R249 PolarHBondContact O-NE 3.44Å; G245-R249 PolarHBondContact O-N 2.95Å; F246-R249 PolarHBondContact O-N 2.81Å; F246-R249 VanDerWaalsContact O-N 3.17Å; R249-K251 PolarHBondContact O-N 3.44Å; R249-L252 PolarHBondContact O-N 2.9Å; R249-V253 WeakPolarHBondContact O-CG2 3.34Å; R249-V253 PolarHBondContact O-N 2.79Å |
| 250 | L | 91.1 | Very high | 88 | Confident | 73 Ų | 73 | 76.3 Ų | 76.3 | 38% | 0.382 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 176.4 | -175.8 | 61.6 | 0 | 0 | 0 | 113.2 | V228 F246 M248 R254 | V228-L250 HydrophobicContact CG2-CD1 4.17Å; F246-L250 HydrophobicContact CE1-CD2 4Å; F246-L250 HydrophobicContact CZ-CD2 4.41Å; F246-L250 WeakPolarHBondContact O-CB 3.35Å; F246-L250 PolarHBondContact O-N 2.76Å; M248-L250 VanDerWaalsContact C-N 3.34Å; M248-L250 PolarHBondContact O-N 2.74Å; L250-R254 WeakPolarHBondContact O-CB 3.32Å; L250-R254 PolarHBondContact O-N 3.45Å |
| 251 | K | 92.1 | Very high | 89.1 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 52% | 0.522 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 174.3 | -74.5 | 159.7 | -161.9 | 161 | 0 | 112.3 | D247 M248 R249 R254 S255 | D247-K251 WeakPolarHBondContact O-CB 3.49Å; D247-K251 WeakPolarHBondContact O-CD 3.35Å; D247-K251 WeakPolarHBondContact O-CE 3.17Å; D247-K251 WeakPolarHBondContact O-CG 3.39Å; D247-K251 PolarHBondContact O-N 3.06Å; D247-K251 VanDerWaalsContact O-N 3.11Å; M248-K251 PolarHBondContact O-N 2.95Å; M248-K251 HydrophobicContact SD-CD 3.87Å; R249-K251 PolarHBondContact O-N 3.44Å; K251-R254 PolarHBondContact O-N 2.86Å; K251-S255 WeakPolarHBondContact O-CB 3.46Å; K251-S255 PolarHBondContact O-N 3.42Å |
| 252 | L | 91.8 | Very high | 90.1 | Very high | 74 Ų | 74 | 83.1 Ų | 83.1 | 39% | 0.387 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 175.7 | -69.2 | 172.1 | 0 | 0 | 0 | 111.5 | V237 I240 L244 M248 R249 R254 S255 R256 | V237-L252 HydrophobicContact CG1-CB 4.21Å; I240-L252 HydrophobicContact CG1-CD1 4.17Å; L244-L252 HydrophobicContact CD2-CD1 3.63Å; M248-L252 WeakPolarHBondContact O-CG 3.46Å; M248-L252 PolarHBondContact O-N 2.76Å; R249-L252 PolarHBondContact O-N 2.9Å; L252-R254 VanDerWaalsContact C-N 3.32Å; L252-R254 PolarHBondContact O-N 3.08Å; L252-S255 PolarHBondContact O-N 3.28Å; L252-S255 VanDerWaalsContact O-N 3.16Å; L252-R256 PolarHBondContact O-N 3.18Å |
| 253 | V | 91.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 83 Ų | 83 | 5% | 0.048 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -55.4 | -46.5 | 173.5 | 171 | 0 | 0 | 0 | 0 | 111.1 | V228 L231 S232 M235 V237 R249 R256 A257 | V228-V253 HydrophobicContact CG1-CG2 4.39Å; L231-V253 HydrophobicContact CB-CG1 4.06Å; L231-V253 HydrophobicContact CD1-CG1 4.38Å; S232-V253 WeakPolarHBondContact OG-CG2 3.38Å; M235-V253 HydrophobicContact CE-CG1 4.33Å; M235-V253 WeakPolarHBondContact CE-O 3.46Å; M235-V253 HydrophobicContact SD-CG1 3.77Å; V237-V253 HydrophobicContact CG2-CG2 4.21Å; R249-V253 WeakPolarHBondContact O-CG2 3.34Å; R249-V253 PolarHBondContact O-N 2.79Å; V253-R256 WeakPolarHBondContact O-CB 3.4Å; V253-R256 PolarHBondContact O-N 2.94Å; V253-A257 PolarHBondContact O-N 3.4Å |
| 254 | R | 93.2 | Very high | 91.9 | Very high | 164 Ų | 164 | 81.7 Ų | 81.7 | 62% | 0.619 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61 | -46.9 | 175.2 | 178.9 | -178.5 | 163.6 | 168.3 | -1.3 | 112.3 | L250 K251 L252 R256 A257 E258 | L250-R254 WeakPolarHBondContact O-CB 3.32Å; L250-R254 PolarHBondContact O-N 3.45Å; K251-R254 PolarHBondContact O-N 2.86Å; L252-R254 VanDerWaalsContact C-N 3.32Å; L252-R254 PolarHBondContact O-N 3.08Å; R254-R256 PolarHBondContact O-N 3.41Å; R254-A257 WeakPolarHBondContact O-CB 3.29Å; R254-A257 PolarHBondContact O-N 3.46Å; R254-A257 VanDerWaalsContact O-N 3.12Å; R254-E258 IonicContact CZ-OE1 3.07Å; R254-E258 VanDerWaalsContact CZ-OE1 3.28Å; R254-E258 IonicContact NE-OE1 3.43Å; R254-E258 PolarHBondContact NE-OE1 2.69Å; R254-E258 IonicContact NH2-OE1 3.51Å; R254-E258 PolarHBondContact NH2-OE1 2.63Å; R254-E258 PolarHBondContact O-N 3.46Å |
| 255 | S | 92.8 | Very high | 92.5 | Very high | 77 Ų | 77 | 81.4 Ų | 81.4 | 54% | 0.538 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -34.7 | 178.3 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | K251 L252 Q259 | K251-S255 WeakPolarHBondContact O-CB 3.46Å; K251-S255 PolarHBondContact O-N 3.42Å; L252-S255 PolarHBondContact O-N 3.28Å; L252-S255 VanDerWaalsContact O-N 3.16Å; S255-Q259 WeakPolarHBondContact O-CB 3.47Å; S255-Q259 PolarHBondContact O-N 3.47Å |
| 256 | R | 93.8 | Very high | 92.9 | Very high | 57 Ų | 57 | 81.7 Ų | 81.7 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 173.3 | -176.7 | 60.5 | 157.5 | 175.8 | -11.2 | 112.4 | M235 K236 V237 L252 V253 R254 Q259 L260 | M235-R256 HydrophobicContact CB-CG 4.16Å; M235-R256 HydrophobicContact CE-CB 4.2Å; M235-R256 HydrophobicContact CE-CG 4.2Å; M235-R256 PolarHBondContact O-NE 3.12Å; K236-R256 PolarHBondContact O-NE 2.99Å; K236-R256 PolarHBondContact O-NH2 2.91Å; V237-R256 HydrophobicContact CG2-CB 3.89Å; V237-R256 HydrophobicContact CG2-CG 3.91Å; L252-R256 PolarHBondContact O-N 3.18Å; V253-R256 WeakPolarHBondContact O-CB 3.4Å; V253-R256 PolarHBondContact O-N 2.94Å; R254-R256 PolarHBondContact O-N 3.41Å; R256-Q259 WeakPolarHBondContact O-CB 3.31Å; R256-Q259 PolarHBondContact O-N 2.8Å; R256-L260 HydrophobicContact CG-CD1 4Å; R256-L260 HydrophobicContact CG-CG 4.4Å; R256-L260 WeakPolarHBondContact O-CG 3.36Å; R256-L260 PolarHBondContact O-N 3.16Å |
| 257 | A | 94 | Very high | 93.4 | Very high | 44 Ų | 44 | 80.9 Ų | 80.9 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | M235 V253 R254 Q259 L260 D261 | M235-A257 VanDerWaalsContact CE-CA 3.41Å; M235-A257 HydrophobicContact CE-CB 3.48Å; M235-A257 VanDerWaalsContact CE-CB 3.48Å; V253-A257 PolarHBondContact O-N 3.4Å; R254-A257 WeakPolarHBondContact O-CB 3.29Å; R254-A257 PolarHBondContact O-N 3.46Å; R254-A257 VanDerWaalsContact O-N 3.12Å; A257-Q259 PolarHBondContact O-N 3.22Å; A257-L260 PolarHBondContact O-N 2.84Å; A257-D261 PolarHBondContact O-N 3.4Å |
| 258 | E | 95.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 79.6 Ų | 79.6 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.7 | -26.8 | 178.6 | -64 | -176.1 | -160.7 | 0 | 0 | 112.7 | R254 R262 | R254-E258 IonicContact CZ-OE1 3.07Å; R254-E258 VanDerWaalsContact CZ-OE1 3.28Å; R254-E258 IonicContact NE-OE1 3.43Å; R254-E258 PolarHBondContact NE-OE1 2.69Å; R254-E258 IonicContact NH2-OE1 3.51Å; R254-E258 PolarHBondContact NH2-OE1 2.63Å; R254-E258 PolarHBondContact O-N 3.46Å; E258-R262 WeakPolarHBondContact O-CD 3.38Å; E258-R262 WeakPolarHBondContact O-CG 3.34Å; E258-R262 PolarHBondContact O-N 3.33Å; E258-R262 PolarHBondContact O-NE 3.49Å; E258-R262 VanDerWaalsContact O-NE 3.09Å; E258-R262 IonicContact OE2-NH2 2.78Å; E258-R262 PolarHBondContact OE2-NH2 3.37Å |
| 259 | Q | 95.1 | Very high | 93.9 | Very high | 83 Ų | 83 | 78.7 Ų | 78.7 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.3 | -47.3 | 171.9 | -174 | -169.3 | 23.2 | 0 | 0 | 112.1 | S255 R256 A257 R262 Q263 | S255-Q259 WeakPolarHBondContact O-CB 3.47Å; S255-Q259 PolarHBondContact O-N 3.47Å; R256-Q259 WeakPolarHBondContact O-CB 3.31Å; R256-Q259 PolarHBondContact O-N 2.8Å; A257-Q259 PolarHBondContact O-N 3.22Å; Q259-R262 PolarHBondContact O-N 2.96Å; Q259-Q263 WeakPolarHBondContact O-CG 3.13Å; Q259-Q263 PolarHBondContact O-N 3.29Å |
| 260 | L | 94.8 | Very high | 94.2 | Very high | 65 Ų | 65 | 83 Ų | 83 | 34% | 0.34 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | -177.7 | -70.8 | 169.6 | 0 | 0 | 0 | 111.5 | M235 R256 A257 R262 Q263 E264 | M235-L260 HydrophobicContact CE-CD1 4.42Å; R256-L260 HydrophobicContact CG-CD1 4Å; R256-L260 HydrophobicContact CG-CG 4.4Å; R256-L260 WeakPolarHBondContact O-CG 3.36Å; R256-L260 PolarHBondContact O-N 3.16Å; A257-L260 PolarHBondContact O-N 2.84Å; L260-R262 PolarHBondContact O-N 3.03Å; L260-Q263 PolarHBondContact O-N 3.25Å; L260-E264 PolarHBondContact O-N 3.09Å |
| 261 | D | 95.6 | Very high | 94.3 | Very high | 114 Ų | 114 | 82.6 Ų | 82.6 | 61% | 0.61 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.3 | -46.5 | 172.9 | 177.1 | 71.3 | 0 | 0 | 0 | 112 | A257 Q263 E264 A265 | A257-D261 PolarHBondContact O-N 3.4Å; D261-Q263 VanDerWaalsContact C-N 3.3Å; D261-Q263 PolarHBondContact O-N 3.41Å; D261-E264 PolarHBondContact O-N 3.46Å; D261-A265 VanDerWaalsContact O-CB 3.27Å; D261-A265 WeakPolarHBondContact O-CB 3.29Å; D261-A265 PolarHBondContact O-N 3.26Å |
| 262 | R | 96.1 | Very high | 94.5 | Very high | 157 Ų | 157 | 83.3 Ų | 83.3 | 59% | 0.592 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.2 | -34.5 | 175.8 | -66.6 | 166.2 | -155.5 | 169.1 | 9 | 112.5 | E258 Q259 L260 A266 | E258-R262 WeakPolarHBondContact O-CD 3.38Å; E258-R262 WeakPolarHBondContact O-CG 3.34Å; E258-R262 PolarHBondContact O-N 3.33Å; E258-R262 PolarHBondContact O-NE 3.49Å; E258-R262 VanDerWaalsContact O-NE 3.09Å; E258-R262 IonicContact OE2-NH2 2.78Å; E258-R262 PolarHBondContact OE2-NH2 3.37Å; Q259-R262 PolarHBondContact O-N 2.96Å; L260-R262 PolarHBondContact O-N 3.03Å; R262-A266 WeakPolarHBondContact O-CB 3.41Å; R262-A266 PolarHBondContact O-N 3.22Å |
| 263 | Q | 94.7 | Very high | 94.7 | Very high | 100 Ų | 100 | 85.4 Ų | 85.4 | 47% | 0.467 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.8 | -45.4 | 176.9 | -74.6 | 177.2 | -23 | 0 | 0 | 112 | Q259 L260 D261 A266 A267 | Q259-Q263 WeakPolarHBondContact O-CG 3.13Å; Q259-Q263 PolarHBondContact O-N 3.29Å; L260-Q263 PolarHBondContact O-N 3.25Å; D261-Q263 VanDerWaalsContact C-N 3.3Å; D261-Q263 PolarHBondContact O-N 3.41Å; Q263-A266 PolarHBondContact O-N 2.86Å; Q263-A267 WeakPolarHBondContact O-CB 3.33Å; Q263-A267 PolarHBondContact O-N 2.89Å |
| 264 | E | 94.3 | Very high | 94.8 | Very high | 125 Ų | 125 | 90.7 Ų | 90.7 | 58% | 0.584 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 174.8 | -178.7 | 60 | -160.1 | 0 | 0 | 111 | L260 D261 A266 A267 L268 | L260-E264 PolarHBondContact O-N 3.09Å; D261-E264 PolarHBondContact O-N 3.46Å; E264-A266 VanDerWaalsContact C-N 3.33Å; E264-A266 PolarHBondContact O-N 2.76Å; E264-A267 PolarHBondContact O-N 3.22Å; E264-L268 WeakPolarHBondContact O-CB 3.5Å; E264-L268 PolarHBondContact O-N 3.49Å |
| 265 | A | 95.1 | Very high | 94.9 | Very high | 50 Ų | 50 | 85.6 Ų | 85.6 | 41% | 0.413 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D261 V269 | D261-A265 VanDerWaalsContact O-CB 3.27Å; D261-A265 WeakPolarHBondContact O-CB 3.29Å; D261-A265 PolarHBondContact O-N 3.26Å; A265-V269 WeakPolarHBondContact O-CG2 3.23Å; A265-V269 PolarHBondContact O-N 3.16Å |
| 266 | A | 95.1 | Very high | 95.1 | Very high | 51 Ų | 51 | 89.6 Ų | 89.6 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -49.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R262 Q263 E264 L268 V269 E270 | R262-A266 WeakPolarHBondContact O-CB 3.41Å; R262-A266 PolarHBondContact O-N 3.22Å; Q263-A266 PolarHBondContact O-N 2.86Å; E264-A266 VanDerWaalsContact C-N 3.33Å; E264-A266 PolarHBondContact O-N 2.76Å; A266-L268 VanDerWaalsContact C-N 3.25Å; A266-L268 PolarHBondContact O-N 3.44Å; A266-V269 WeakPolarHBondContact O-CB 3.45Å; A266-V269 PolarHBondContact O-N 3.04Å; A266-E270 PolarHBondContact O-N 3.37Å |
| 267 | A | 95.5 | Very high | 95.2 | Very high | 48 Ų | 48 | 89.2 Ų | 89.2 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q263 E264 E270 S271 | Q263-A267 WeakPolarHBondContact O-CB 3.33Å; Q263-A267 PolarHBondContact O-N 2.89Å; E264-A267 PolarHBondContact O-N 3.22Å; A267-E270 PolarHBondContact O-N 2.96Å; A267-S271 VanDerWaalsContact O-CB 3.26Å; A267-S271 WeakPolarHBondContact O-CB 3.37Å; A267-S271 PolarHBondContact O-N 2.93Å |
| 268 | L | 95.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 92 Ų | 92 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.2 | -32.1 | 176 | -175.3 | 147.9 | 0 | 0 | 0 | 112.5 | E264 A266 K272 | E264-L268 WeakPolarHBondContact O-CB 3.5Å; E264-L268 PolarHBondContact O-N 3.49Å; A266-L268 VanDerWaalsContact C-N 3.25Å; A266-L268 PolarHBondContact O-N 3.44Å; L268-K272 HydrophobicContact CD2-CD 3.97Å; L268-K272 WeakPolarHBondContact O-CB 3.36Å; L268-K272 WeakPolarHBondContact O-CD 3.32Å; L268-K272 VanDerWaalsContact O-CG 3.25Å; L268-K272 WeakPolarHBondContact O-CG 3.3Å; L268-K272 PolarHBondContact O-N 2.9Å; L268-K272 VanDerWaalsContact O-N 3.07Å |
| 269 | V | 95.8 | Very high | 95.2 | Very high | 77 Ų | 77 | 95.6 Ų | 95.6 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 169.3 | 168.5 | 0 | 0 | 0 | 0 | 111 | A265 A266 S271 K272 M273 | A265-V269 WeakPolarHBondContact O-CG2 3.23Å; A265-V269 PolarHBondContact O-N 3.16Å; A266-V269 WeakPolarHBondContact O-CB 3.45Å; A266-V269 PolarHBondContact O-N 3.04Å; V269-S271 PolarHBondContact O-N 2.92Å; V269-K272 WeakPolarHBondContact O-CB 3.42Å; V269-K272 PolarHBondContact O-N 2.9Å; V269-M273 HydrophobicContact CG1-CE 4.26Å; V269-M273 WeakPolarHBondContact O-CG 3.39Å; V269-M273 PolarHBondContact O-N 2.91Å |
| 270 | E | 94.6 | Very high | 95.2 | Very high | 109 Ų | 109 | 97.2 Ų | 97.2 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.9 | -71.5 | -175.4 | -167.2 | 0 | 0 | 112 | A266 A267 K272 M273 Q274 | A266-E270 PolarHBondContact O-N 3.37Å; A267-E270 PolarHBondContact O-N 2.96Å; E270-K272 VanDerWaalsContact C-N 3.32Å; E270-K272 PolarHBondContact O-N 3.04Å; E270-M273 HydrophobicContact CG-CE 4.1Å; E270-M273 CarbonylContact O-C 3.54Å; E270-M273 WeakPolarHBondContact O-CB 3.44Å; E270-M273 PolarHBondContact O-N 2.99Å; E270-Q274 WeakPolarHBondContact O-CG 3.44Å; E270-Q274 PolarHBondContact O-N 3.36Å |
| 271 | S | 94.6 | Very high | 95.3 | Very high | 65 Ų | 65 | 99.9 Ų | 99.9 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | A267 V269 T275 | A267-S271 VanDerWaalsContact O-CB 3.26Å; A267-S271 WeakPolarHBondContact O-CB 3.37Å; A267-S271 PolarHBondContact O-N 2.93Å; V269-S271 PolarHBondContact O-N 2.92Å; S271-T275 WeakPolarHBondContact O-CB 3.35Å; S271-T275 PolarHBondContact O-N 3.39Å; S271-T275 PolarHBondContact O-OG1 2.85Å |
| 272 | K | 96.2 | Very high | 95.2 | Very high | 135 Ų | 135 | 98.9 Ų | 98.9 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 171.1 | -77.7 | 167.6 | 178.2 | 170.5 | 0 | 112.2 | L268 V269 E270 T275 Y276 | L268-K272 HydrophobicContact CD2-CD 3.97Å; L268-K272 WeakPolarHBondContact O-CB 3.36Å; L268-K272 WeakPolarHBondContact O-CD 3.32Å; L268-K272 VanDerWaalsContact O-CG 3.25Å; L268-K272 WeakPolarHBondContact O-CG 3.3Å; L268-K272 PolarHBondContact O-N 2.9Å; L268-K272 VanDerWaalsContact O-N 3.07Å; V269-K272 WeakPolarHBondContact O-CB 3.42Å; V269-K272 PolarHBondContact O-N 2.9Å; E270-K272 VanDerWaalsContact C-N 3.32Å; E270-K272 PolarHBondContact O-N 3.04Å; K272-T275 PolarHBondContact O-N 3.26Å; K272-Y276 WeakPolarHBondContact O-CB 3.33Å; K272-Y276 PolarHBondContact O-N 2.94Å |
| 273 | M | 95.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 97.9 Ų | 97.9 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.2 | -44.9 | 177.8 | -69.7 | -168.3 | -63.9 | 0 | 0 | 112.3 | V269 E270 Y276 S277 | V269-M273 HydrophobicContact CG1-CE 4.26Å; V269-M273 WeakPolarHBondContact O-CG 3.39Å; V269-M273 PolarHBondContact O-N 2.91Å; E270-M273 HydrophobicContact CG-CE 4.1Å; E270-M273 CarbonylContact O-C 3.54Å; E270-M273 WeakPolarHBondContact O-CB 3.44Å; E270-M273 PolarHBondContact O-N 2.99Å; M273-Y276 PolarHBondContact O-N 2.99Å; M273-S277 WeakPolarHBondContact O-CB 3.41Å; M273-S277 PolarHBondContact O-N 3.38Å |
| 274 | Q | 95.1 | Very high | 95.2 | Very high | 120 Ų | 120 | 96.2 Ų | 96.2 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.9 | -46.2 | 173.8 | -68.6 | 177.9 | 25.4 | 0 | 0 | 110.7 | E270 Y276 S277 L278 | E270-Q274 WeakPolarHBondContact O-CG 3.44Å; E270-Q274 PolarHBondContact O-N 3.36Å; Q274-Y276 VanDerWaalsContact C-N 3.32Å; Q274-Y276 PolarHBondContact O-N 3.34Å; Q274-S277 PolarHBondContact O-N 3.01Å; Q274-L278 WeakPolarHBondContact O-CB 3.41Å; Q274-L278 WeakPolarHBondContact O-CG 3.49Å; Q274-L278 PolarHBondContact O-N 3.02Å |
| 275 | T | 94.9 | Very high | 95.2 | Very high | 57 Ų | 57 | 95.7 Ų | 95.7 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 175.1 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | S271 K272 K279 | S271-T275 WeakPolarHBondContact O-CB 3.35Å; S271-T275 PolarHBondContact O-N 3.39Å; S271-T275 PolarHBondContact O-OG1 2.85Å; K272-T275 PolarHBondContact O-N 3.26Å; T275-K279 HydrophobicContact CG2-CD 4.11Å; T275-K279 WeakPolarHBondContact O-CB 3.32Å; T275-K279 VanDerWaalsContact O-CG 3.24Å; T275-K279 WeakPolarHBondContact O-CG 3.42Å; T275-K279 PolarHBondContact O-N 3.08Å |
| 276 | Y | 96.6 | Very high | 95.2 | Very high | 160 Ų | 160 | 99.1 Ų | 99.1 | 63% | 0.627 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.4 | -46.8 | 175.2 | -176.4 | -86.5 | 0 | 0 | 0 | 111.7 | K272 M273 Q274 L278 K279 Q280 | K272-Y276 WeakPolarHBondContact O-CB 3.33Å; K272-Y276 PolarHBondContact O-N 2.94Å; M273-Y276 PolarHBondContact O-N 2.99Å; Q274-Y276 VanDerWaalsContact C-N 3.32Å; Q274-Y276 PolarHBondContact O-N 3.34Å; Y276-L278 VanDerWaalsContact C-N 3.34Å; Y276-L278 PolarHBondContact O-N 2.81Å; Y276-K279 PolarHBondContact O-N 3.5Å; Y276-Q280 WeakPolarHBondContact O-CB 3.32Å; Y276-Q280 PolarHBondContact O-N 3.03Å |
| 277 | S | 95.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 99.5 Ų | 99.5 | 34% | 0.343 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 176.6 | -172.2 | 0 | 0 | 0 | 0 | 112 | M273 Q274 Q280 K281 | M273-S277 WeakPolarHBondContact O-CB 3.41Å; M273-S277 PolarHBondContact O-N 3.38Å; Q274-S277 PolarHBondContact O-N 3.01Å; S277-Q280 PolarHBondContact O-N 3.21Å; S277-K281 WeakPolarHBondContact O-CG 3.35Å; S277-K281 PolarHBondContact O-N 3.03Å |
| 278 | L | 95.6 | Very high | 95.1 | Very high | 104 Ų | 104 | 102.5 Ų | 102.5 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 174.8 | -71.1 | 171.1 | 0 | 0 | 0 | 111.8 | Q274 Y276 Q280 K281 V282 | Q274-L278 WeakPolarHBondContact O-CB 3.41Å; Q274-L278 WeakPolarHBondContact O-CG 3.49Å; Q274-L278 PolarHBondContact O-N 3.02Å; Y276-L278 VanDerWaalsContact C-N 3.34Å; Y276-L278 PolarHBondContact O-N 2.81Å; L278-Q280 VanDerWaalsContact C-N 3.32Å; L278-Q280 PolarHBondContact O-N 2.85Å; L278-K281 PolarHBondContact O-N 3.36Å; L278-V282 WeakPolarHBondContact O-CB 3.29Å; L278-V282 WeakPolarHBondContact O-CG2 3.45Å; L278-V282 PolarHBondContact O-N 3.47Å |
| 279 | K | 94.5 | Very high | 95 | Very high | 144 Ų | 144 | 103.8 Ų | 103.8 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.8 | -40 | 173.7 | -76 | 168.9 | -179.6 | 174.4 | 0 | 112.2 | T275 Y276 K283 | T275-K279 HydrophobicContact CG2-CD 4.11Å; T275-K279 WeakPolarHBondContact O-CB 3.32Å; T275-K279 VanDerWaalsContact O-CG 3.24Å; T275-K279 WeakPolarHBondContact O-CG 3.42Å; T275-K279 PolarHBondContact O-N 3.08Å; Y276-K279 PolarHBondContact O-N 3.5Å; K279-K283 WeakPolarHBondContact O-CB 3.27Å; K279-K283 PolarHBondContact O-N 2.88Å |
| 280 | Q | 95.4 | Very high | 94.9 | Very high | 117 Ų | 117 | 103.9 Ų | 103.9 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 176.7 | -171.4 | 178 | 5.3 | 0 | 0 | 111.9 | Y276 S277 L278 K283 S284 | Y276-Q280 WeakPolarHBondContact O-CB 3.32Å; Y276-Q280 PolarHBondContact O-N 3.03Å; S277-Q280 PolarHBondContact O-N 3.21Å; L278-Q280 VanDerWaalsContact C-N 3.32Å; L278-Q280 PolarHBondContact O-N 2.85Å; Q280-K283 PolarHBondContact O-N 3.14Å; Q280-S284 PolarHBondContact O-N 3.48Å; Q280-S284 PolarHBondContact O-OG 3.01Å |
| 281 | K | 95.6 | Very high | 94.9 | Very high | 121 Ų | 121 | 107.4 Ų | 107.4 | 53% | 0.526 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -50.8 | 173.4 | -74.7 | 174.8 | -178 | 178.5 | 0 | 111.2 | S277 L278 K283 S284 Q285 | S277-K281 WeakPolarHBondContact O-CG 3.35Å; S277-K281 PolarHBondContact O-N 3.03Å; L278-K281 PolarHBondContact O-N 3.36Å; K281-K283 VanDerWaalsContact C-N 3.31Å; K281-K283 PolarHBondContact O-N 3.24Å; K281-S284 PolarHBondContact O-N 3.44Å; K281-S284 VanDerWaalsContact O-N 3.11Å; K281-S284 PolarHBondContact O-OG 3.49Å; K281-Q285 WeakPolarHBondContact O-CG 3.5Å; K281-Q285 PolarHBondContact O-N 3.39Å |
| 282 | V | 94.4 | Very high | 94.9 | Very high | 93 Ų | 93 | 110 Ų | 110 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.1 | -42.5 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | L278 Q285 K286 | L278-V282 WeakPolarHBondContact O-CB 3.29Å; L278-V282 WeakPolarHBondContact O-CG2 3.45Å; L278-V282 PolarHBondContact O-N 3.47Å; V282-Q285 PolarHBondContact O-N 3.2Å; V282-K286 WeakPolarHBondContact O-CB 3.26Å; V282-K286 PolarHBondContact O-N 2.83Å |
| 283 | K | 95.7 | Very high | 94.8 | Very high | 135 Ų | 135 | 107.9 Ų | 107.9 | 59% | 0.587 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.8 | -49 | 174 | -173.1 | -178.6 | 174.9 | -174.9 | 0 | 111.5 | K279 Q280 K281 Q285 K286 D287 | K279-K283 WeakPolarHBondContact O-CB 3.27Å; K279-K283 PolarHBondContact O-N 2.88Å; Q280-K283 PolarHBondContact O-N 3.14Å; K281-K283 VanDerWaalsContact C-N 3.31Å; K281-K283 PolarHBondContact O-N 3.24Å; K283-Q285 VanDerWaalsContact C-N 3.32Å; K283-Q285 PolarHBondContact O-N 3.4Å; K283-K286 WeakPolarHBondContact O-CB 3.47Å; K283-K286 PolarHBondContact O-N 3.43Å; K283-K286 VanDerWaalsContact O-N 3.16Å; K283-D287 PolarHBondContact O-N 3.42Å |
| 284 | S | 93.8 | Very high | 94.8 | Very high | 66 Ų | 66 | 107 Ų | 107 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -35.2 | 179.8 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | Q280 K281 Q288 | Q280-S284 PolarHBondContact O-N 3.48Å; Q280-S284 PolarHBondContact O-OG 3.01Å; K281-S284 PolarHBondContact O-N 3.44Å; K281-S284 VanDerWaalsContact O-N 3.11Å; K281-S284 PolarHBondContact O-OG 3.49Å; S284-Q288 WeakPolarHBondContact O-CB 3.47Å; S284-Q288 PolarHBondContact O-N 3.27Å |
| 285 | Q | 94.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 174 | -74.2 | 175.9 | -29.8 | 0 | 0 | 111.2 | K281 V282 K283 Q288 L289 | K281-Q285 WeakPolarHBondContact O-CG 3.5Å; K281-Q285 PolarHBondContact O-N 3.39Å; V282-Q285 PolarHBondContact O-N 3.2Å; K283-Q285 VanDerWaalsContact C-N 3.32Å; K283-Q285 PolarHBondContact O-N 3.4Å; Q285-Q288 PolarHBondContact O-N 3.41Å; Q285-L289 WeakPolarHBondContact O-CG 3.28Å; Q285-L289 PolarHBondContact O-N 3.08Å |
| 286 | K | 95.8 | Very high | 94.8 | Very high | 122 Ų | 122 | 106.4 Ų | 106.4 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 171.8 | -173.7 | -175.7 | 173.1 | -172.8 | 0 | 111.3 | V282 K283 Q288 L289 D290 | V282-K286 WeakPolarHBondContact O-CB 3.26Å; V282-K286 PolarHBondContact O-N 2.83Å; K283-K286 WeakPolarHBondContact O-CB 3.47Å; K283-K286 PolarHBondContact O-N 3.43Å; K283-K286 VanDerWaalsContact O-N 3.16Å; K286-Q288 PolarHBondContact O-N 2.91Å; K286-Q288 VanDerWaalsContact O-N 3.15Å; K286-L289 CarbonylContact O-C 3.57Å; K286-L289 WeakPolarHBondContact O-CA 3.44Å; K286-L289 WeakPolarHBondContact O-CB 3.42Å; K286-L289 PolarHBondContact O-N 3.29Å; K286-D290 VanDerWaalsContact CE-OD2 3.28Å; K286-D290 WeakPolarHBondContact CE-OD2 3.41Å; K286-D290 PolarHBondContact O-N 3.38Å |
| 287 | D | 93.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 104.5 Ų | 104.5 | 31% | 0.31 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -29.8 | 178.6 | -62.7 | -15.8 | 0 | 0 | 0 | 111.2 | K283 R291 | K283-D287 PolarHBondContact O-N 3.42Å; D287-R291 WeakPolarHBondContact O-CD 3.47Å; D287-R291 WeakPolarHBondContact O-CG 3.25Å; D287-R291 PolarHBondContact O-N 3.26Å; D287-R291 PolarHBondContact O-NE 2.8Å |
| 288 | Q | 95.1 | Very high | 94.5 | Very high | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.9 | -37.8 | 172.7 | -168.4 | -173.9 | 37.6 | 0 | 0 | 113 | S284 Q285 K286 K292 | S284-Q288 WeakPolarHBondContact O-CB 3.47Å; S284-Q288 PolarHBondContact O-N 3.27Å; Q285-Q288 PolarHBondContact O-N 3.41Å; K286-Q288 PolarHBondContact O-N 2.91Å; K286-Q288 VanDerWaalsContact O-N 3.15Å; Q288-K292 WeakPolarHBondContact O-CG 3.33Å; Q288-K292 PolarHBondContact O-N 2.93Å; Q288-K292 VanDerWaalsContact O-N 3.08Å |
| 289 | L | 93.6 | Very high | 94.4 | Very high | 103 Ų | 103 | 106.3 Ų | 106.3 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -47.1 | 173.4 | -73.1 | 169.4 | 0 | 0 | 0 | 111.1 | Q285 K286 R291 K292 D293 | Q285-L289 WeakPolarHBondContact O-CG 3.28Å; Q285-L289 PolarHBondContact O-N 3.08Å; K286-L289 CarbonylContact O-C 3.57Å; K286-L289 WeakPolarHBondContact O-CA 3.44Å; K286-L289 WeakPolarHBondContact O-CB 3.42Å; K286-L289 PolarHBondContact O-N 3.29Å; L289-R291 PolarHBondContact O-N 3.15Å; L289-K292 CarbonylContact O-C 3.57Å; L289-K292 WeakPolarHBondContact O-CA 3.34Å; L289-K292 WeakPolarHBondContact O-CB 3.37Å; L289-K292 PolarHBondContact O-N 3.07Å; L289-D293 PolarHBondContact O-N 3.48Å |
| 290 | D | 93.3 | Very high | 94.3 | Very high | 80 Ų | 80 | 107.7 Ų | 107.7 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.3 | -36.9 | 177.7 | -68.3 | -20.2 | 0 | 0 | 0 | 111.1 | K286 L294 | K286-D290 VanDerWaalsContact CE-OD2 3.28Å; K286-D290 WeakPolarHBondContact CE-OD2 3.41Å; K286-D290 PolarHBondContact O-N 3.38Å; D290-L294 WeakPolarHBondContact O-CB 3.45Å; D290-L294 PolarHBondContact O-N 2.97Å |
| 291 | R | 93.7 | Very high | 94.2 | Very high | 183 Ų | 183 | 107.9 Ų | 107.9 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.7 | -40.5 | 171 | -72.4 | 169.2 | -159.4 | -169.8 | 5.4 | 113.3 | D287 L289 L294 H295 | D287-R291 WeakPolarHBondContact O-CD 3.47Å; D287-R291 WeakPolarHBondContact O-CG 3.25Å; D287-R291 PolarHBondContact O-N 3.26Å; D287-R291 PolarHBondContact O-NE 2.8Å; L289-R291 PolarHBondContact O-N 3.15Å; R291-L294 PolarHBondContact O-N 3.47Å; R291-H295 PolarHBondContact O-N 3.1Å |
| 292 | K | 94.9 | Very high | 94.1 | Very high | 119 Ų | 119 | 108.3 Ų | 108.3 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 176.3 | -78.2 | 178.9 | 175.5 | -179 | 0 | 111.2 | Q288 L289 H295 V296 | Q288-K292 WeakPolarHBondContact O-CG 3.33Å; Q288-K292 PolarHBondContact O-N 2.93Å; Q288-K292 VanDerWaalsContact O-N 3.08Å; L289-K292 CarbonylContact O-C 3.57Å; L289-K292 WeakPolarHBondContact O-CA 3.34Å; L289-K292 WeakPolarHBondContact O-CB 3.37Å; L289-K292 PolarHBondContact O-N 3.07Å; K292-H295 WeakPolarHBondContact O-CB 3.43Å; K292-H295 PolarHBondContact O-N 3.09Å; K292-V296 WeakPolarHBondContact O-CG2 3.23Å; K292-V296 PolarHBondContact O-N 3.41Å |
| 293 | D | 94.9 | Very high | 93.9 | Very high | 91 Ų | 91 | 107.6 Ų | 107.6 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 175.4 | -84.2 | -11.4 | 0 | 0 | 0 | 111.6 | L289 H295 V296 Q297 | L289-D293 PolarHBondContact O-N 3.48Å; D293-H295 VanDerWaalsContact C-N 3.35Å; D293-V296 PolarHBondContact O-N 2.97Å; D293-Q297 WeakPolarHBondContact O-CB 3.41Å; D293-Q297 VanDerWaalsContact O-CG 3.23Å; D293-Q297 WeakPolarHBondContact O-CG 3.4Å; D293-Q297 PolarHBondContact O-N 3.42Å |
| 294 | L | 94.8 | Very high | 93.7 | Very high | 99 Ų | 99 | 106.3 Ų | 106.3 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 171 | -177.6 | 63.4 | 0 | 0 | 0 | 111.6 | D290 R291 Q297 L298 | D290-L294 WeakPolarHBondContact O-CB 3.45Å; D290-L294 PolarHBondContact O-N 2.97Å; R291-L294 PolarHBondContact O-N 3.47Å; L294-Q297 PolarHBondContact O-N 2.9Å; L294-L298 HydrophobicContact CG-CD1 4.34Å; L294-L298 WeakPolarHBondContact O-CG 3.25Å; L294-L298 PolarHBondContact O-N 2.95Å |
| 295 | H | 94.9 | Very high | 93.4 | Very high | 112 Ų | 112 | 106.9 Ų | 106.9 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 175.1 | -176.2 | 68.6 | 0 | 0 | 0 | 112.1 | R291 K292 D293 Q297 L298 L299 | R291-H295 PolarHBondContact O-N 3.1Å; K292-H295 WeakPolarHBondContact O-CB 3.43Å; K292-H295 PolarHBondContact O-N 3.09Å; D293-H295 VanDerWaalsContact C-N 3.35Å; H295-Q297 VanDerWaalsContact C-N 3.35Å; H295-Q297 PolarHBondContact O-N 3.16Å; H295-L298 PolarHBondContact O-N 3.43Å; H295-L299 WeakPolarHBondContact O-CB 3.28Å; H295-L299 WeakPolarHBondContact O-CG 3.39Å; H295-L299 PolarHBondContact O-N 3.3Å |
| 296 | V | 94 | Very high | 93.1 | Very high | 53 Ų | 53 | 105.9 Ų | 105.9 | 32% | 0.321 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 174.5 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | K292 D293 L299 R300 | K292-V296 WeakPolarHBondContact O-CG2 3.23Å; K292-V296 PolarHBondContact O-N 3.41Å; D293-V296 PolarHBondContact O-N 2.97Å; V296-L299 PolarHBondContact O-N 3.47Å; V296-R300 HydrophobicContact CG1-CG 4.47Å; V296-R300 WeakPolarHBondContact O-CB 3.45Å; V296-R300 VanDerWaalsContact O-CG 3.22Å; V296-R300 WeakPolarHBondContact O-CG 3.37Å; V296-R300 PolarHBondContact O-N 2.83Å |
| 297 | Q | 93.1 | Very high | 92.7 | Very high | 119 Ų | 119 | 103.8 Ų | 103.8 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.9 | -42.6 | 172.9 | -74.4 | 171.8 | 47 | 0 | 0 | 111.8 | D293 L294 H295 R300 K301 | D293-Q297 WeakPolarHBondContact O-CB 3.41Å; D293-Q297 VanDerWaalsContact O-CG 3.23Å; D293-Q297 WeakPolarHBondContact O-CG 3.4Å; D293-Q297 PolarHBondContact O-N 3.42Å; L294-Q297 PolarHBondContact O-N 2.9Å; H295-Q297 VanDerWaalsContact C-N 3.35Å; H295-Q297 PolarHBondContact O-N 3.16Å; Q297-R300 PolarHBondContact O-N 3.17Å; Q297-K301 WeakPolarHBondContact O-CB 3.42Å; Q297-K301 PolarHBondContact O-N 3.39Å |
| 298 | L | 93.8 | Very high | 92.2 | Very high | 101 Ų | 101 | 105.8 Ų | 105.8 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 174.4 | -73.1 | 167.4 | 0 | 0 | 0 | 112 | L294 H295 K301 K302 | L294-L298 HydrophobicContact CG-CD1 4.34Å; L294-L298 WeakPolarHBondContact O-CG 3.25Å; L294-L298 PolarHBondContact O-N 2.95Å; H295-L298 PolarHBondContact O-N 3.43Å; L298-K301 PolarHBondContact O-N 2.9Å; L298-K302 WeakPolarHBondContact O-CB 3.38Å; L298-K302 PolarHBondContact O-N 2.92Å |
| 299 | L | 92.6 | Very high | 91.7 | Very high | 90 Ų | 90 | 105.7 Ų | 105.7 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 173.3 | -73.8 | 175.6 | 0 | 0 | 0 | 111.6 | H295 V296 K301 K302 V303 | H295-L299 WeakPolarHBondContact O-CB 3.28Å; H295-L299 WeakPolarHBondContact O-CG 3.39Å; H295-L299 PolarHBondContact O-N 3.3Å; V296-L299 PolarHBondContact O-N 3.47Å; L299-K301 PolarHBondContact O-N 2.92Å; L299-K302 PolarHBondContact O-N 3.43Å; L299-V303 WeakPolarHBondContact O-CG2 3.38Å; L299-V303 PolarHBondContact O-N 2.89Å |
| 300 | R | 93.2 | Very high | 91.1 | Very high | 174 Ų | 174 | 108.1 Ų | 108.1 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | 175.2 | -75.1 | 171.2 | -177.4 | -177.6 | 3.8 | 111.8 | V296 Q297 V303 L304 | V296-R300 HydrophobicContact CG1-CG 4.47Å; V296-R300 WeakPolarHBondContact O-CB 3.45Å; V296-R300 VanDerWaalsContact O-CG 3.22Å; V296-R300 WeakPolarHBondContact O-CG 3.37Å; V296-R300 PolarHBondContact O-N 2.83Å; Q297-R300 PolarHBondContact O-N 3.17Å; R300-V303 PolarHBondContact O-N 3.31Å; R300-L304 WeakPolarHBondContact O-CG 3.41Å; R300-L304 PolarHBondContact O-N 3.18Å |
| 301 | K | 93.4 | Very high | 90.4 | Very high | 121 Ų | 121 | 111.8 Ų | 111.8 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 174.5 | -174.6 | 171.8 | -175.5 | -76.2 | 0 | 111.2 | Q297 L298 L299 L304 E305 | Q297-K301 WeakPolarHBondContact O-CB 3.42Å; Q297-K301 PolarHBondContact O-N 3.39Å; L298-K301 PolarHBondContact O-N 2.9Å; L299-K301 PolarHBondContact O-N 2.92Å; K301-L304 WeakPolarHBondContact O-CB 3.48Å; K301-L304 PolarHBondContact O-N 3.48Å; K301-E305 IonicContact NZ-OE1 2.76Å; K301-E305 PolarHBondContact NZ-OE1 3.34Å; K301-E305 WeakPolarHBondContact O-CG 3.42Å; K301-E305 PolarHBondContact O-N 3.29Å |
| 302 | K | 93.7 | Very high | 89.6 | Confident | 129 Ų | 129 | 110.5 Ų | 110.5 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70 | -31.1 | 178.7 | -169.4 | 149.3 | -173.3 | 161.9 | 0 | 113.6 | L298 L299 E305 L306 | L298-K302 WeakPolarHBondContact O-CB 3.38Å; L298-K302 PolarHBondContact O-N 2.92Å; L299-K302 PolarHBondContact O-N 3.43Å; K302-E305 WeakPolarHBondContact CA-OE2 3.44Å; K302-E305 PolarHBondContact O-N 3.14Å; K302-L306 HydrophobicContact CG-CD1 4.26Å; K302-L306 WeakPolarHBondContact O-CB 3.45Å; K302-L306 WeakPolarHBondContact O-CD1 3.42Å; K302-L306 VanDerWaalsContact O-CG 3.23Å; K302-L306 WeakPolarHBondContact O-CG 3.06Å; K302-L306 PolarHBondContact O-N 3.2Å |
| 303 | V | 90.4 | Very high | 88.7 | Confident | 79 Ų | 79 | 108 Ų | 108 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 169.2 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | L299 R300 L306 E307 | L299-V303 WeakPolarHBondContact O-CG2 3.38Å; L299-V303 PolarHBondContact O-N 2.89Å; R300-V303 PolarHBondContact O-N 3.31Å; V303-L306 PolarHBondContact O-N 2.86Å; V303-E307 WeakPolarHBondContact O-CB 3.34Å; V303-E307 WeakPolarHBondContact O-CG 3.27Å; V303-E307 PolarHBondContact O-N 3.29Å |
| 304 | L | 90.2 | Very high | 87.8 | Confident | 107 Ų | 107 | 111.1 Ų | 111.1 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -39.6 | 174.3 | -71.1 | 168.2 | 0 | 0 | 0 | 112.4 | R300 K301 E307 E308 | R300-L304 WeakPolarHBondContact O-CG 3.41Å; R300-L304 PolarHBondContact O-N 3.18Å; K301-L304 WeakPolarHBondContact O-CB 3.48Å; K301-L304 PolarHBondContact O-N 3.48Å; L304-E307 PolarHBondContact O-N 3.44Å; L304-E308 PolarHBondContact O-N 2.8Å |
| 305 | E | 88.8 | Confident | 86.8 | Confident | 79 Ų | 79 | 110.2 Ų | 110.2 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 173.5 | -72.6 | 164 | 170.7 | 0 | 0 | 111.4 | K301 K302 E307 E308 E309 | K301-E305 IonicContact NZ-OE1 2.76Å; K301-E305 PolarHBondContact NZ-OE1 3.34Å; K301-E305 WeakPolarHBondContact O-CG 3.42Å; K301-E305 PolarHBondContact O-N 3.29Å; K302-E305 WeakPolarHBondContact CA-OE2 3.44Å; K302-E305 PolarHBondContact O-N 3.14Å; E305-E307 VanDerWaalsContact C-N 3.33Å; E305-E307 PolarHBondContact O-N 3.14Å; E305-E308 PolarHBondContact O-N 3.24Å; E305-E309 WeakPolarHBondContact O-CG 3.4Å; E305-E309 PolarHBondContact O-N 3.35Å |
| 306 | L | 87.9 | Confident | 85.8 | Confident | 93 Ų | 93 | 108.7 Ų | 108.7 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -32.2 | 175.9 | -71.6 | 167.5 | 0 | 0 | 0 | 112.7 | K302 V303 R310 | K302-L306 HydrophobicContact CG-CD1 4.26Å; K302-L306 WeakPolarHBondContact O-CB 3.45Å; K302-L306 WeakPolarHBondContact O-CD1 3.42Å; K302-L306 VanDerWaalsContact O-CG 3.23Å; K302-L306 WeakPolarHBondContact O-CG 3.06Å; K302-L306 PolarHBondContact O-N 3.2Å; V303-L306 PolarHBondContact O-N 2.86Å; L306-R310 WeakPolarHBondContact O-CB 3.23Å; L306-R310 PolarHBondContact O-N 3.07Å |
| 307 | E | 86.4 | Confident | 84.6 | Confident | 78 Ų | 78 | 110.7 Ų | 110.7 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | 171 | -85.1 | -165.7 | -153.8 | 0 | 0 | 112.3 | V303 L304 E305 R310 R311 | V303-E307 WeakPolarHBondContact O-CB 3.34Å; V303-E307 WeakPolarHBondContact O-CG 3.27Å; V303-E307 PolarHBondContact O-N 3.29Å; L304-E307 PolarHBondContact O-N 3.44Å; E305-E307 VanDerWaalsContact C-N 3.33Å; E305-E307 PolarHBondContact O-N 3.14Å; E307-R310 PolarHBondContact O-N 2.9Å; E307-R311 WeakPolarHBondContact O-CB 3.48Å; E307-R311 WeakPolarHBondContact O-CG 3.26Å; E307-R311 PolarHBondContact O-N 3.36Å; E307-R311 IonicContact OE2-CZ 2.63Å; E307-R311 IonicContact OE2-NH2 2.6Å; E307-R311 PolarHBondContact OE2-NH2 3.09Å |
| 308 | E | 84.1 | Confident | 83.6 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 173 | -86.1 | -160.2 | -145.5 | 0 | 0 | 111.7 | L304 E305 R310 R311 R312 | L304-E308 PolarHBondContact O-N 2.8Å; E305-E308 PolarHBondContact O-N 3.24Å; E308-R310 VanDerWaalsContact C-N 3.33Å; E308-R310 PolarHBondContact O-N 2.88Å; E308-R311 CarbonylContact O-C 3.57Å; E308-R311 WeakPolarHBondContact O-CB 3.45Å; E308-R311 PolarHBondContact O-N 3.18Å; E308-R311 VanDerWaalsContact O-N 3.11Å; E308-R312 WeakPolarHBondContact O-CB 3.42Å; E308-R312 VanDerWaalsContact O-CG 3.23Å; E308-R312 WeakPolarHBondContact O-CG 3.4Å; E308-R312 PolarHBondContact O-N 3.44Å; E308-R312 IonicContact OE2-CZ 3.65Å; E308-R312 IonicContact OE2-NE 2.61Å; E308-R312 IonicContact OE2-NH2 2.62Å; E308-R312 PolarHBondContact OE2-NH2 3Å |
| 309 | E | 84.3 | Confident | 82.5 | Confident | 110 Ų | 110 | 105.3 Ų | 105.3 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 172.5 | -74.2 | 179 | 165.8 | 0 | 0 | 110.5 | E305 R311 R312 S313 | E305-E309 WeakPolarHBondContact O-CG 3.4Å; E305-E309 PolarHBondContact O-N 3.35Å; E309-R311 VanDerWaalsContact C-N 3.3Å; E309-R311 PolarHBondContact O-N 3.04Å; E309-R312 CarbonylContact O-C 3.59Å; E309-R312 PolarHBondContact O-N 3Å; E309-R312 VanDerWaalsContact O-N 3.1Å; E309-S313 PolarHBondContact O-N 3.28Å; E309-S313 PolarHBondContact O-OG 2.91Å; E309-S313 VanDerWaalsContact O-OG 3.13Å |
| 310 | R | 80.9 | Confident | 81.4 | Confident | 154 Ų | 154 | 106.2 Ų | 106.2 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.3 | -35 | 174.9 | -173.1 | -178.7 | -172.9 | -168.5 | 4.6 | 113.1 | L306 E307 E308 R314 | L306-R310 WeakPolarHBondContact O-CB 3.23Å; L306-R310 PolarHBondContact O-N 3.07Å; E307-R310 PolarHBondContact O-N 2.9Å; E308-R310 VanDerWaalsContact C-N 3.33Å; E308-R310 PolarHBondContact O-N 2.88Å; R310-R314 WeakPolarHBondContact O-CB 3.4Å; R310-R314 WeakPolarHBondContact O-CD 3.31Å; R310-R314 VanDerWaalsContact O-CG 3.24Å; R310-R314 WeakPolarHBondContact O-CG 3.49Å; R310-R314 PolarHBondContact O-N 3.22Å; R310-R314 VanDerWaalsContact O-N 3.12Å |
| 311 | R | 78.9 | Confident | 80.2 | Confident | 158 Ų | 158 | 104.2 Ų | 104.2 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.9 | -41.5 | 173.2 | -72.3 | 168.1 | -158.8 | -152.1 | 8.7 | 111.3 | E307 E308 E309 R314 S315 | E307-R311 WeakPolarHBondContact O-CB 3.48Å; E307-R311 WeakPolarHBondContact O-CG 3.26Å; E307-R311 PolarHBondContact O-N 3.36Å; E307-R311 IonicContact OE2-CZ 2.63Å; E307-R311 IonicContact OE2-NH2 2.6Å; E307-R311 PolarHBondContact OE2-NH2 3.09Å; E308-R311 CarbonylContact O-C 3.57Å; E308-R311 WeakPolarHBondContact O-CB 3.45Å; E308-R311 PolarHBondContact O-N 3.18Å; E308-R311 VanDerWaalsContact O-N 3.11Å; E309-R311 VanDerWaalsContact C-N 3.3Å; E309-R311 PolarHBondContact O-N 3.04Å; R311-R314 PolarHBondContact O-N 3.13Å; R311-S315 WeakPolarHBondContact O-CB 3.43Å; R311-S315 PolarHBondContact O-N 3.22Å |
| 312 | R | 77.6 | Confident | 79.2 | Confident | 155 Ų | 155 | 102.7 Ų | 102.7 | 59% | 0.585 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -49.2 | 176.7 | -68.3 | 168.6 | -164.1 | -165.4 | 7 | 111 | E308 E309 R314 S315 V316 | E308-R312 WeakPolarHBondContact O-CB 3.42Å; E308-R312 VanDerWaalsContact O-CG 3.23Å; E308-R312 WeakPolarHBondContact O-CG 3.4Å; E308-R312 PolarHBondContact O-N 3.44Å; E308-R312 IonicContact OE2-CZ 3.65Å; E308-R312 IonicContact OE2-NE 2.61Å; E308-R312 IonicContact OE2-NH2 2.62Å; E308-R312 PolarHBondContact OE2-NH2 3Å; E309-R312 CarbonylContact O-C 3.59Å; E309-R312 PolarHBondContact O-N 3Å; E309-R312 VanDerWaalsContact O-N 3.1Å; R312-R314 VanDerWaalsContact C-N 3.32Å; R312-R314 PolarHBondContact O-N 2.81Å; R312-S315 CarbonylContact O-C 3.55Å; R312-S315 WeakPolarHBondContact O-CA 3.43Å; R312-S315 VanDerWaalsContact O-CB 3.32Å; R312-S315 WeakPolarHBondContact O-CB 3.4Å; R312-S315 PolarHBondContact O-N 2.99Å; R312-V316 WeakPolarHBondContact O-CG2 3.46Å; R312-V316 PolarHBondContact O-N 3.13Å |
| 313 | S | 74 | Confident | 78.1 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 174.6 | -56 | 0 | 0 | 0 | 0 | 112.2 | E309 S315 V316 L317 | E309-S313 PolarHBondContact O-N 3.28Å; E309-S313 PolarHBondContact O-OG 2.91Å; E309-S313 VanDerWaalsContact O-OG 3.13Å; S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.46Å; S313-V316 PolarHBondContact O-N 2.88Å; S313-L317 WeakPolarHBondContact O-CB 3.21Å; S313-L317 WeakPolarHBondContact O-CD1 3.43Å; S313-L317 VanDerWaalsContact O-CG 3.27Å; S313-L317 WeakPolarHBondContact O-CG 3.48Å; S313-L317 PolarHBondContact O-N 3.49Å |
| 314 | R | 77.4 | Confident | 77 | Confident | 155 Ų | 155 | 100.5 Ų | 100.5 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -35.8 | 171.2 | -80.2 | 172.9 | 164.8 | -175.3 | -7.8 | 112.9 | R310 R311 R312 S318 | R310-R314 WeakPolarHBondContact O-CB 3.4Å; R310-R314 WeakPolarHBondContact O-CD 3.31Å; R310-R314 VanDerWaalsContact O-CG 3.24Å; R310-R314 WeakPolarHBondContact O-CG 3.49Å; R310-R314 PolarHBondContact O-N 3.22Å; R310-R314 VanDerWaalsContact O-N 3.12Å; R311-R314 PolarHBondContact O-N 3.13Å; R312-R314 VanDerWaalsContact C-N 3.32Å; R312-R314 PolarHBondContact O-N 2.81Å; R314-S318 VanDerWaalsContact O-CB 3.24Å; R314-S318 WeakPolarHBondContact O-CB 3.27Å; R314-S318 PolarHBondContact O-N 3.15Å |
| 315 | S | 74.3 | Confident | 76 | Confident | 81 Ų | 81 | 99.9 Ų | 99.9 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.7 | -38.2 | 175.9 | -164.5 | 0 | 0 | 0 | 0 | 112.2 | R311 R312 S313 S318 A319 | R311-S315 WeakPolarHBondContact O-CB 3.43Å; R311-S315 PolarHBondContact O-N 3.22Å; R312-S315 CarbonylContact O-C 3.55Å; R312-S315 WeakPolarHBondContact O-CA 3.43Å; R312-S315 VanDerWaalsContact O-CB 3.32Å; R312-S315 WeakPolarHBondContact O-CB 3.4Å; R312-S315 PolarHBondContact O-N 2.99Å; S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.46Å; S315-S318 PolarHBondContact O-N 3.02Å; S315-A319 PolarHBondContact O-N 2.6Å |
| 316 | V | 72.9 | Confident | 75.1 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -51.4 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | R312 S313 S318 A319 E320 | R312-V316 WeakPolarHBondContact O-CG2 3.46Å; R312-V316 PolarHBondContact O-N 3.13Å; S313-V316 PolarHBondContact O-N 2.88Å; V316-S318 PolarHBondContact O-N 2.63Å; V316-A319 WeakPolarHBondContact O-CA 3.36Å; V316-A319 WeakPolarHBondContact O-CB 3.34Å; V316-A319 PolarHBondContact O-N 2.82Å; V316-E320 HydrophobicContact CG1-CG 4.34Å; V316-E320 WeakPolarHBondContact CG1-OE1 3.36Å; V316-E320 WeakPolarHBondContact O-CG 3.4Å; V316-E320 PolarHBondContact O-N 2.76Å |
| 317 | L | 69.4 | Low | 74.1 | Confident | 95 Ų | 95 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -34.5 | 175.2 | -71.1 | 165.2 | 0 | 0 | 0 | 112.6 | S313 Q321 | S313-L317 WeakPolarHBondContact O-CB 3.21Å; S313-L317 WeakPolarHBondContact O-CD1 3.43Å; S313-L317 VanDerWaalsContact O-CG 3.27Å; S313-L317 WeakPolarHBondContact O-CG 3.48Å; S313-L317 PolarHBondContact O-N 3.49Å; L317-Q321 WeakPolarHBondContact O-CB 3.25Å; L317-Q321 VanDerWaalsContact O-CG 3.24Å; L317-Q321 WeakPolarHBondContact O-CG 3.2Å; L317-Q321 PolarHBondContact O-N 3.36Å |
| 318 | S | 71.4 | Confident | 73.1 | Confident | 57 Ų | 57 | 99.2 Ų | 99.2 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | R314 S315 V316 Q321 N322 | R314-S318 VanDerWaalsContact O-CB 3.24Å; R314-S318 WeakPolarHBondContact O-CB 3.27Å; R314-S318 PolarHBondContact O-N 3.15Å; S315-S318 PolarHBondContact O-N 3.02Å; V316-S318 PolarHBondContact O-N 2.63Å; S318-Q321 PolarHBondContact O-N 2.91Å; S318-N322 PolarHBondContact O-N 2.88Å; S318-N322 PolarHBondContact O-ND2 3.29Å |
| 319 | A | 70.6 | Confident | 72.4 | Confident | 49 Ų | 49 | 102 Ų | 102 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | S315 V316 Q321 N322 D323 | S315-A319 PolarHBondContact O-N 2.6Å; V316-A319 WeakPolarHBondContact O-CA 3.36Å; V316-A319 WeakPolarHBondContact O-CB 3.34Å; V316-A319 PolarHBondContact O-N 2.82Å; A319-Q321 VanDerWaalsContact C-N 3.3Å; A319-Q321 PolarHBondContact O-N 2.88Å; A319-N322 CarbonylContact O-C 3.6Å; A319-N322 WeakPolarHBondContact O-CA 3.46Å; A319-N322 PolarHBondContact O-N 3.33Å; A319-D323 PolarHBondContact O-N 2.91Å |
| 320 | E | 69.4 | Low | 71.6 | Confident | 110 Ų | 110 | 101.9 Ų | 101.9 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.3 | -39.8 | 175.8 | -69 | 169.3 | 168.5 | 0 | 0 | 112.2 | V316 A324 | V316-E320 HydrophobicContact CG1-CG 4.34Å; V316-E320 WeakPolarHBondContact CG1-OE1 3.36Å; V316-E320 WeakPolarHBondContact O-CG 3.4Å; V316-E320 PolarHBondContact O-N 2.76Å; E320-A324 VanDerWaalsContact O-CB 3.24Å; E320-A324 WeakPolarHBondContact O-CB 3.49Å; E320-A324 PolarHBondContact O-N 2.99Å |
| 321 | Q | 69.4 | Low | 70.8 | Confident | 132 Ų | 132 | 99.8 Ų | 99.8 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -36.8 | 173.1 | -78.2 | 177.1 | 4.1 | 0 | 0 | 113 | L317 S318 A319 L325 | L317-Q321 WeakPolarHBondContact O-CB 3.25Å; L317-Q321 VanDerWaalsContact O-CG 3.24Å; L317-Q321 WeakPolarHBondContact O-CG 3.2Å; L317-Q321 PolarHBondContact O-N 3.36Å; S318-Q321 PolarHBondContact O-N 2.91Å; A319-Q321 VanDerWaalsContact C-N 3.3Å; A319-Q321 PolarHBondContact O-N 2.88Å; Q321-L325 WeakPolarHBondContact O-CB 3.4Å; Q321-L325 WeakPolarHBondContact O-CD1 3.28Å; Q321-L325 VanDerWaalsContact O-CG 3.28Å; Q321-L325 WeakPolarHBondContact O-CG 3.49Å; Q321-L325 PolarHBondContact O-N 3.23Å |
| 322 | N | 70.9 | Confident | 70.1 | Confident | 88 Ų | 88 | 98.3 Ų | 98.3 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.7 | -38.5 | 176.6 | -78.5 | -68.5 | 0 | 0 | 0 | 112.1 | S318 A319 L325 L326 | S318-N322 PolarHBondContact O-N 2.88Å; S318-N322 PolarHBondContact O-ND2 3.29Å; A319-N322 CarbonylContact O-C 3.6Å; A319-N322 WeakPolarHBondContact O-CA 3.46Å; A319-N322 PolarHBondContact O-N 3.33Å; N322-L325 PolarHBondContact O-N 2.86Å; N322-L326 WeakPolarHBondContact O-CG 3.33Å; N322-L326 PolarHBondContact O-N 2.78Å |
| 323 | D | 70.9 | Confident | 69.7 | Low | 100 Ų | 100 | 99.3 Ų | 99.3 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 174.3 | -73.2 | -25.2 | 0 | 0 | 0 | 111.3 | A319 L325 L326 E327 | A319-D323 PolarHBondContact O-N 2.91Å; D323-L325 VanDerWaalsContact C-N 3.31Å; D323-L325 PolarHBondContact O-N 3.45Å; D323-L326 WeakPolarHBondContact O-CB 3.3Å; D323-L326 PolarHBondContact O-N 3.24Å; D323-L326 VanDerWaalsContact O-N 3.08Å; D323-E327 PolarHBondContact O-N 2.86Å |
| 324 | A | 68.3 | Low | 69.4 | Low | 62 Ų | 62 | 101.1 Ų | 101.1 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E320 A328 | E320-A324 VanDerWaalsContact O-CB 3.24Å; E320-A324 WeakPolarHBondContact O-CB 3.49Å; E320-A324 PolarHBondContact O-N 2.99Å; A324-A328 VanDerWaalsContact O-CB 3.27Å; A324-A328 WeakPolarHBondContact O-CB 3.24Å; A324-A328 PolarHBondContact O-N 3.22Å |
| 325 | L | 68.6 | Low | 68.9 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -31.3 | 172.5 | -80.4 | 165.7 | 0 | 0 | 0 | 112.9 | Q321 N322 D323 R329 | Q321-L325 WeakPolarHBondContact O-CB 3.4Å; Q321-L325 WeakPolarHBondContact O-CD1 3.28Å; Q321-L325 VanDerWaalsContact O-CG 3.28Å; Q321-L325 WeakPolarHBondContact O-CG 3.49Å; Q321-L325 PolarHBondContact O-N 3.23Å; N322-L325 PolarHBondContact O-N 2.86Å; D323-L325 VanDerWaalsContact C-N 3.31Å; D323-L325 PolarHBondContact O-N 3.45Å; L325-R329 WeakPolarHBondContact O-CB 3.32Å; L325-R329 WeakPolarHBondContact O-CD 3.44Å; L325-R329 VanDerWaalsContact O-CG 3.24Å; L325-R329 WeakPolarHBondContact O-CG 3.44Å; L325-R329 PolarHBondContact O-N 3.16Å; L325-R329 VanDerWaalsContact O-N 3.12Å |
| 326 | L | 69.4 | Low | 68.5 | Low | 94 Ų | 94 | 97 Ų | 97 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72 | -43.4 | 174.2 | -79.4 | 165 | 0 | 0 | 0 | 111.8 | N322 D323 R329 K330 | N322-L326 WeakPolarHBondContact O-CG 3.33Å; N322-L326 PolarHBondContact O-N 2.78Å; D323-L326 WeakPolarHBondContact O-CB 3.3Å; D323-L326 PolarHBondContact O-N 3.24Å; D323-L326 VanDerWaalsContact O-N 3.08Å; L326-R329 PolarHBondContact O-N 2.9Å; L326-K330 WeakPolarHBondContact O-CG 3.48Å; L326-K330 PolarHBondContact O-N 3.47Å |
| 327 | E | 66.6 | Low | 68.2 | Low | 96 Ų | 96 | 98.5 Ų | 98.5 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -38.4 | 174.7 | -66.3 | -49.8 | 133 | 0 | 0 | 112.4 | D323 R329 K330 L331 | D323-E327 PolarHBondContact O-N 2.86Å; E327-R329 VanDerWaalsContact C-N 3.33Å; E327-R329 PolarHBondContact O-N 2.83Å; E327-K330 WeakPolarHBondContact O-CB 3.47Å; E327-K330 PolarHBondContact O-N 2.98Å; E327-K330 VanDerWaalsContact O-N 3.15Å; E327-K330 WeakPolarHBondContact OE1-CD 3.46Å; E327-K330 WeakPolarHBondContact OE1-CE 3.35Å; E327-K330 IonicContact OE1-NZ 3.78Å; E327-K330 PolarHBondContact OE1-NZ 3.13Å; E327-K330 VanDerWaalsContact OE2-CD 3.23Å; E327-K330 WeakPolarHBondContact OE2-CD 3.24Å; E327-K330 IonicContact OE2-NZ 3.85Å; E327-L331 PolarHBondContact O-N 3.43Å |
| 328 | A | 66.6 | Low | 68.1 | Low | 46 Ų | 46 | 98.7 Ų | 98.7 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A324 K330 L331 E332 | A324-A328 VanDerWaalsContact O-CB 3.27Å; A324-A328 WeakPolarHBondContact O-CB 3.24Å; A324-A328 PolarHBondContact O-N 3.22Å; A328-K330 VanDerWaalsContact C-N 3.31Å; A328-K330 PolarHBondContact O-N 2.82Å; A328-L331 WeakPolarHBondContact O-CB 3.31Å; A328-L331 PolarHBondContact O-N 3.03Å; A328-E332 WeakPolarHBondContact O-CG 3.49Å; A328-E332 PolarHBondContact O-N 3.49Å |
| 329 | R | 67.9 | Low | 68 | Low | 159 Ų | 159 | 102.8 Ų | 102.8 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.9 | -25 | 176.6 | -75.7 | 171.3 | 171.7 | -179.9 | -0.5 | 114 | L325 L326 E327 R333 | L325-R329 WeakPolarHBondContact O-CB 3.32Å; L325-R329 WeakPolarHBondContact O-CD 3.44Å; L325-R329 VanDerWaalsContact O-CG 3.24Å; L325-R329 WeakPolarHBondContact O-CG 3.44Å; L325-R329 PolarHBondContact O-N 3.16Å; L325-R329 VanDerWaalsContact O-N 3.12Å; L326-R329 PolarHBondContact O-N 2.9Å; E327-R329 VanDerWaalsContact C-N 3.33Å; E327-R329 PolarHBondContact O-N 2.83Å; R329-R333 WeakPolarHBondContact O-CG 3.25Å; R329-R333 PolarHBondContact O-N 3.42Å |
| 330 | K | 67.4 | Low | 67.6 | Low | 107 Ų | 107 | 103.3 Ų | 103.3 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.6 | -45.1 | 169 | -74.2 | 167.6 | 176.8 | 176.2 | 0 | 111.1 | L326 E327 A328 E332 R333 L334 | L326-K330 WeakPolarHBondContact O-CG 3.48Å; L326-K330 PolarHBondContact O-N 3.47Å; E327-K330 WeakPolarHBondContact O-CB 3.47Å; E327-K330 PolarHBondContact O-N 2.98Å; E327-K330 VanDerWaalsContact O-N 3.15Å; E327-K330 WeakPolarHBondContact OE1-CD 3.46Å; E327-K330 WeakPolarHBondContact OE1-CE 3.35Å; E327-K330 IonicContact OE1-NZ 3.78Å; E327-K330 PolarHBondContact OE1-NZ 3.13Å; E327-K330 VanDerWaalsContact OE2-CD 3.23Å; E327-K330 WeakPolarHBondContact OE2-CD 3.24Å; E327-K330 IonicContact OE2-NZ 3.85Å; A328-K330 VanDerWaalsContact C-N 3.31Å; A328-K330 PolarHBondContact O-N 2.82Å; K330-E332 VanDerWaalsContact C-N 3.33Å; K330-E332 PolarHBondContact O-N 3.26Å; K330-R333 PolarHBondContact O-N 3.25Å; K330-L334 WeakPolarHBondContact O-CG 3.16Å; K330-L334 PolarHBondContact O-N 3.38Å |
| 331 | L | 65.4 | Low | 67.3 | Low | 109 Ų | 109 | 102 Ų | 102 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | 175.3 | -83.2 | 163.5 | 0 | 0 | 0 | 112.2 | E327 A328 L334 Q335 | E327-L331 PolarHBondContact O-N 3.43Å; A328-L331 WeakPolarHBondContact O-CB 3.31Å; A328-L331 PolarHBondContact O-N 3.03Å; L331-L334 PolarHBondContact O-N 3.39Å; L331-Q335 WeakPolarHBondContact O-CB 3.48Å; L331-Q335 WeakPolarHBondContact O-CG 3.31Å; L331-Q335 PolarHBondContact O-N 2.95Å |
| 332 | E | 63.8 | Low | 67 | Low | 128 Ų | 128 | 102.4 Ų | 102.4 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 173.6 | -73.7 | -178.9 | 141.6 | 0 | 0 | 112.7 | A328 K330 Q335 A336 | A328-E332 WeakPolarHBondContact O-CG 3.49Å; A328-E332 PolarHBondContact O-N 3.49Å; K330-E332 VanDerWaalsContact C-N 3.33Å; K330-E332 PolarHBondContact O-N 3.26Å; E332-Q335 PolarHBondContact O-N 3.49Å; E332-A336 PolarHBondContact O-N 3.01Å |
| 333 | R | 69.4 | Low | 66.5 | Low | 176 Ų | 176 | 103.7 Ų | 103.7 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -48.1 | 176 | -74.6 | 176.3 | 179.7 | -176.1 | -0.1 | 112.1 | R329 K330 Q335 A336 E337 | R329-R333 WeakPolarHBondContact O-CG 3.25Å; R329-R333 PolarHBondContact O-N 3.42Å; K330-R333 PolarHBondContact O-N 3.25Å; R333-Q335 VanDerWaalsContact C-N 3.27Å; R333-Q335 PolarHBondContact O-N 2.96Å; R333-A336 WeakPolarHBondContact O-CA 3.38Å; R333-A336 WeakPolarHBondContact O-CB 3.32Å; R333-A336 PolarHBondContact O-N 3.42Å; R333-E337 WeakPolarHBondContact O-CG 3.41Å; R333-E337 PolarHBondContact O-N 2.93Å |
| 334 | L | 67.3 | Low | 65.8 | Low | 105 Ų | 105 | 101.9 Ų | 101.9 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 176.9 | -67.9 | 170.1 | 0 | 0 | 0 | 111.8 | K330 L331 L338 | K330-L334 WeakPolarHBondContact O-CG 3.16Å; K330-L334 PolarHBondContact O-N 3.38Å; L331-L334 PolarHBondContact O-N 3.39Å; L334-L338 VanDerWaalsContact O-CB 3.24Å; L334-L338 WeakPolarHBondContact O-CB 3.47Å; L334-L338 PolarHBondContact O-N 3.3Å |
| 335 | Q | 67.4 | Low | 64.9 | Low | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.3 | -35.8 | 170.1 | -76.6 | -168.6 | 12.9 | 0 | 0 | 113.2 | L331 E332 R333 R339 | L331-Q335 WeakPolarHBondContact O-CB 3.48Å; L331-Q335 WeakPolarHBondContact O-CG 3.31Å; L331-Q335 PolarHBondContact O-N 2.95Å; E332-Q335 PolarHBondContact O-N 3.49Å; R333-Q335 VanDerWaalsContact C-N 3.27Å; R333-Q335 PolarHBondContact O-N 2.96Å; Q335-R339 VanDerWaalsContact O-CG 3.25Å; Q335-R339 WeakPolarHBondContact O-CG 3.28Å; Q335-R339 PolarHBondContact O-N 3.16Å |
| 336 | A | 65.7 | Low | 64.3 | Low | 53 Ų | 53 | 104.5 Ų | 104.5 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E332 R333 L338 R339 A340 | E332-A336 PolarHBondContact O-N 3.01Å; R333-A336 WeakPolarHBondContact O-CA 3.38Å; R333-A336 WeakPolarHBondContact O-CB 3.32Å; R333-A336 PolarHBondContact O-N 3.42Å; A336-L338 PolarHBondContact O-N 3.01Å; A336-R339 PolarHBondContact O-N 3.41Å; A336-R339 VanDerWaalsContact O-N 3.15Å; A336-A340 PolarHBondContact O-N 2.91Å |
| 337 | E | 66.2 | Low | 63.3 | Low | 113 Ų | 113 | 106.2 Ų | 106.2 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 175.7 | -70.3 | 161.6 | -158.3 | 0 | 0 | 111.7 | R333 R339 A340 T341 | R333-E337 WeakPolarHBondContact O-CG 3.41Å; R333-E337 PolarHBondContact O-N 2.93Å; E337-R339 VanDerWaalsContact C-N 3.32Å; E337-R339 PolarHBondContact O-N 3.19Å; E337-A340 PolarHBondContact O-N 3.42Å; E337-T341 WeakPolarHBondContact O-CB 3.48Å; E337-T341 WeakPolarHBondContact O-CG2 3.48Å; E337-T341 PolarHBondContact O-N 3.44Å; E337-T341 PolarHBondContact O-OG1 3.07Å |
| 338 | L | 67.6 | Low | 62.5 | Low | 99 Ų | 99 | 107.3 Ų | 107.3 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -25 | 173.7 | -172.6 | 62.6 | 0 | 0 | 0 | 113.6 | L334 A336 T341 K342 | L334-L338 VanDerWaalsContact O-CB 3.24Å; L334-L338 WeakPolarHBondContact O-CB 3.47Å; L334-L338 PolarHBondContact O-N 3.3Å; A336-L338 PolarHBondContact O-N 3.01Å; L338-T341 WeakPolarHBondContact CA-OG1 3.36Å; L338-T341 PolarHBondContact O-OG1 3.42Å; L338-K342 VanDerWaalsContact O-CG 3.3Å; L338-K342 WeakPolarHBondContact O-CG 3.45Å |
| 339 | R | 68.3 | Low | 61.6 | Low | 143 Ų | 143 | 114 Ų | 114 | 54% | 0.54 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -77.9 | -44.7 | 171.8 | -73.8 | 169.3 | -172.6 | 121.6 | 7.6 | 111.1 | Q335 A336 E337 K342 L343 | Q335-R339 VanDerWaalsContact O-CG 3.25Å; Q335-R339 WeakPolarHBondContact O-CG 3.28Å; Q335-R339 PolarHBondContact O-N 3.16Å; A336-R339 PolarHBondContact O-N 3.41Å; A336-R339 VanDerWaalsContact O-N 3.15Å; E337-R339 VanDerWaalsContact C-N 3.32Å; E337-R339 PolarHBondContact O-N 3.19Å; R339-K342 PolarHBondContact O-N 3.45Å; R339-L343 PolarHBondContact O-N 2.84Å; R339-L343 VanDerWaalsContact O-N 3.11Å |
| 340 | A | 63.2 | Low | 60.3 | Low | 59 Ų | 59 | 109.4 Ų | 109.4 | 49% | 0.488 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.6 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A336 E337 K342 L343 S344 | A336-A340 PolarHBondContact O-N 2.91Å; E337-A340 PolarHBondContact O-N 3.42Å; A340-K342 VanDerWaalsContact C-N 3.27Å; A340-K342 PolarHBondContact O-N 3.12Å; A340-L343 PolarHBondContact O-N 3.26Å; A340-S344 PolarHBondContact O-N 3.03Å; A340-S344 VanDerWaalsContact O-N 3.09Å |
| 341 | T | 62.7 | Low | 59 | Low | 84 Ų | 84 | 111.5 Ų | 111.5 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.7 | -23.7 | 177.7 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | E337 L338 | E337-T341 WeakPolarHBondContact O-CB 3.48Å; E337-T341 WeakPolarHBondContact O-CG2 3.48Å; E337-T341 PolarHBondContact O-N 3.44Å; E337-T341 PolarHBondContact O-OG1 3.07Å; L338-T341 WeakPolarHBondContact CA-OG1 3.36Å; L338-T341 PolarHBondContact O-OG1 3.42Å |
| 342 | K | 63.8 | Low | 58.1 | Low | 139 Ų | 139 | 114 Ų | 114 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.5 | -44.4 | 172.4 | -77.5 | 179.1 | 179.4 | -174.4 | 0 | 112.6 | L338 R339 A340 N345 T346 | L338-K342 VanDerWaalsContact O-CG 3.3Å; L338-K342 WeakPolarHBondContact O-CG 3.45Å; R339-K342 PolarHBondContact O-N 3.45Å; A340-K342 VanDerWaalsContact C-N 3.27Å; A340-K342 PolarHBondContact O-N 3.12Å; K342-N345 PolarHBondContact O-N 2.86Å; K342-N345 VanDerWaalsContact O-N 3.15Å; K342-T346 PolarHBondContact O-N 3.36Å; K342-T346 PolarHBondContact O-OG1 3.06Å |
| 343 | L | 59.3 | Low | 57 | Low | 116 Ų | 116 | 114 Ų | 114 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.5 | -44.8 | 178.1 | -71.8 | 164.9 | 0 | 0 | 0 | 111.6 | R339 A340 N345 T346 E347 | R339-L343 PolarHBondContact O-N 2.84Å; R339-L343 VanDerWaalsContact O-N 3.11Å; A340-L343 PolarHBondContact O-N 3.26Å; L343-N345 PolarHBondContact O-N 3.3Å; L343-T346 PolarHBondContact O-N 3.38Å; L343-T346 PolarHBondContact O-OG1 2.8Å; L343-E347 PolarHBondContact O-N 3.41Å |
| 344 | S | 57 | Low | 55.3 | Low | 62 Ų | 62 | 114.1 Ų | 114.1 | 43% | 0.434 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -55.6 | -34.3 | 173.9 | 169.5 | 0 | 0 | 0 | 0 | 113.5 | A340 L348 | A340-S344 PolarHBondContact O-N 3.03Å; A340-S344 VanDerWaalsContact O-N 3.09Å; S344-L348 WeakPolarHBondContact O-CG 3.45Å; S344-L348 PolarHBondContact O-N 2.99Å |
| 345 | N | 49.8 | Very low | 53.6 | Low | 114 Ų | 114 | 114 Ų | 114 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.3 | -23.5 | -177.9 | -129.6 | -66.5 | 0 | 0 | 0 | 113.6 | K342 L343 | K342-N345 PolarHBondContact O-N 2.86Å; K342-N345 VanDerWaalsContact O-N 3.15Å; L343-N345 PolarHBondContact O-N 3.3Å |
| 346 | T | 55.3 | Low | 52 | Low | 97 Ų | 97 | 116.5 Ų | 116.5 | 60% | 0.595 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.7 | -33.6 | 170.7 | 38.5 | 0 | 0 | 0 | 0 | 112.4 | K342 L343 K349 | K342-T346 PolarHBondContact O-N 3.36Å; K342-T346 PolarHBondContact O-OG1 3.06Å; L343-T346 PolarHBondContact O-N 3.38Å; L343-T346 PolarHBondContact O-OG1 2.8Å; T346-K349 PolarHBondContact O-N 3.11Å |
| 347 | E | 48.8 | Very low | 50.5 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.6 | -30.9 | -175.1 | -159.8 | 156.3 | -146.7 | 0 | 0 | 112.8 | L343 K349 A350 Q351 | L343-E347 PolarHBondContact O-N 3.41Å; E347-K349 PolarHBondContact O-N 2.92Å; E347-K349 VanDerWaalsContact O-N 3.08Å; E347-A350 PolarHBondContact O-N 3.39Å; E347-Q351 PolarHBondContact O-N 3.07Å |
| 348 | L | 49.4 | Very low | 49.1 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 62% | 0.618 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -1.1 | 168.7 | -71.5 | 170.4 | 0 | 0 | 0 | 114.5 | S344 | S344-L348 WeakPolarHBondContact O-CG 3.45Å; S344-L348 PolarHBondContact O-N 2.99Å |
| 349 | K | 47.8 | Very low | 47.8 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 81% | 0.809 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -8.6 | 165.1 | -73.9 | -174.2 | 174.1 | -178.4 | 0 | 114 | T346 E347 | T346-K349 PolarHBondContact O-N 3.11Å; E347-K349 PolarHBondContact O-N 2.92Å; E347-K349 VanDerWaalsContact O-N 3.08Å |
| 350 | A | 41.6 | Very low | 46.4 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 53% | 0.529 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | -16.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | E347 L352 | E347-A350 PolarHBondContact O-N 3.39Å; A350-L352 PolarHBondContact O-N 2.89Å |
| 351 | Q | 40.6 | Very low | 45.4 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 52.6 | 171.3 | -67.5 | -170.1 | -10 | 0 | 0 | 113.3 | E347 | E347-Q351 PolarHBondContact O-N 3.07Š|
| 352 | L | 44.8 | Very low | 44.1 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | -6.5 | 166.8 | -136.5 | 79.8 | 0 | 0 | 0 | 113.5 | A350 | A350-L352 PolarHBondContact O-N 2.89Š|
| 353 | T | 41.3 | Very low | 42.9 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -138.8 | 78 | 178 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 354 | H | 33.7 | Very low | 41.9 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 83% | 0.833 | 70% | 0.701 | S | S | * | * | trans | 74.1 | 140 | 151.7 | -102 | -30.9 | 0 | 0 | 0 | 123.9 | ||||
| 355 | T | 31.1 | Very low | 41 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | trans | 65.2 | 97.5 | 145.1 | 53.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 356 | D | 35.3 | Very low | 40.5 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | 75.9 | 134.3 | 108.4 | -60.7 | -35.3 | 0 | 0 | 0 | 126.4 | |||||
| 357 | E | 34.2 | Very low | 39.8 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | 81 | 101.4 | 147.3 | -68 | -169.3 | 179.4 | 0 | 0 | 127.7 | ||||
| 358 | L | 34.8 | Very low | 39.4 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | 73.4 | 116.3 | 120.6 | -58.7 | 177.5 | 0 | 0 | 0 | 127.7 | |||||
| 359 | K | 40.7 | Very low | 39.1 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | 91.6 | 129 | 120.9 | -78.3 | 173.8 | 174.3 | 164.1 | 0 | 128.1 | |||||
| 360 | V | 40.3 | Very low | 38.7 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | trans | 98.7 | 147.5 | 134.1 | 170.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 361 | E | 40.5 | Very low | 38.8 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | -163.3 | 170.2 | -173.2 | -161.7 | -119.7 | 122.9 | 0 | 0 | 112.9 | R363 | E361-R363 WeakPolarHBondContact OE1-CD 3.47Å; E361-R363 WeakPolarHBondContact OE1-CG 3.42Å; E361-R363 IonicContact OE1-CZ 3.57Å; E361-R363 IonicContact OE1-NE 3.32Å; E361-R363 PolarHBondContact OE1-NE 3.43Å; E361-R363 IonicContact OE1-NH2 3.22Å; E361-R363 IonicContact OE2-CZ 2.69Å; E361-R363 IonicContact OE2-NE 3.67Å; E361-R363 PolarHBondContact OE2-NE 3.4Å; E361-R363 IonicContact OE2-NH2 3.69Å; E361-R363 PolarHBondContact OE2-NH2 2.7Å | ||
| 362 | G | 35.8 | Very low | 38.6 | Very low | 57 Ų | 57 | 145 Ų | 145 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | cis | 164 | -168.8 | -7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 363 | R | 38 | Very low | 38.2 | Very low | 198 Ų | 198 | 141 Ų | 141 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | 92.1 | 163.5 | 163.7 | -52.7 | 134 | -166.9 | -151.4 | 2.5 | 121.5 | E361 | E361-R363 WeakPolarHBondContact OE1-CD 3.47Å; E361-R363 WeakPolarHBondContact OE1-CG 3.42Å; E361-R363 IonicContact OE1-CZ 3.57Å; E361-R363 IonicContact OE1-NE 3.32Å; E361-R363 PolarHBondContact OE1-NE 3.43Å; E361-R363 IonicContact OE1-NH2 3.22Å; E361-R363 IonicContact OE2-CZ 2.69Å; E361-R363 IonicContact OE2-NE 3.67Å; E361-R363 PolarHBondContact OE2-NE 3.4Å; E361-R363 IonicContact OE2-NH2 3.69Å; E361-R363 PolarHBondContact OE2-NH2 2.7Å | ||
| 364 | K | 38.4 | Very low | 37.9 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | cis | -174.2 | 173.9 | -20.5 | -97.1 | 174.8 | -176.7 | 177.1 | 0 | 115.8 | ||||
| 365 | A | 38.8 | Very low | 37.8 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 88.5 | 166 | 163.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 366 | G | 39 | Very low | 38.1 | Very low | 74 Ų | 74 | 143.5 Ų | 143.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | cis | 168.8 | 179.3 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 367 | I | 40.7 | Very low | 38.1 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | cis | -167.6 | 133.7 | -16 | -42.2 | -176.5 | 0 | 0 | 0 | 114.9 | ||||
| 368 | Q | 41.1 | Very low | 38.4 | Very low | 200 Ų | 200 | 142 Ų | 142 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | trans | 50.1 | 164.5 | 151.1 | -161.8 | 171 | 107.4 | 0 | 0 | 124.5 | ||||
| 369 | G | 42.4 | Very low | 38.4 | Very low | 58 Ų | 58 | 144.5 Ų | 144.5 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | cis | 161.4 | 155.7 | -15.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 370 | H | 39.3 | Very low | 38.2 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -152.9 | -160.1 | 179.6 | -126 | 58.1 | 0 | 0 | 0 | 123.4 | ||||
| 371 | S | 43.4 | Very low | 38 | Very low | 81 Ų | 81 | 145.9 Ų | 145.9 | 57% | 0.566 | 79% | 0.786 | S | S | * | * | trans | -154.3 | 176.8 | -141.5 | 73.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 372 | R | 37.4 | Very low | 37.9 | Very low | 244 Ų | 244 | 148.4 Ų | 148.4 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 79 | 162.2 | 163 | -60.3 | 164.8 | 61.9 | 159 | -0 | 121.7 | ||||
| 373 | G | 36.3 | Very low | 37.9 | Very low | 81 Ų | 81 | 154.3 Ų | 154.3 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | cis | 151.2 | 125.2 | -23 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 374 | S | 35.4 | Very low | 37.7 | Very low | 133 Ų | 133 | 153.2 Ų | 153.2 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -168.5 | -174.4 | 171.5 | -156.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 375 | F | 32 | Very low | 37.3 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -153.6 | 175.1 | -148.3 | -143.4 | -100.9 | 0 | 0 | 0 | 122.4 | ||||
| 376 | T | 36.9 | Very low | 37.7 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | 124.3 | 149.8 | 150 | 64.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 377 | S | 34.5 | Very low | 37.9 | Very low | 101 Ų | 101 | 158.9 Ų | 158.9 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | -174 | 166.3 | 169 | 80.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 378 | K | 39.7 | Very low | 37.9 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | trans | 75.6 | 164.2 | 156 | -72.3 | 169 | -173.2 | 172.4 | 0 | 122.3 | ||||
| 379 | H | 35 | Very low | 38.2 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | cis | -176.5 | 151.5 | -40.5 | -119.4 | 37 | 0 | 0 | 0 | 115.9 | ||||
| 380 | L | 37.1 | Very low | 38.3 | Very low | 134 Ų | 134 | 160.6 Ų | 160.6 | 70% | 0.702 | 83% | 0.832 | S | S | * | * | trans | 70 | 169.8 | 159.7 | -106.4 | 63.9 | 0 | 0 | 0 | 121.1 | ||||
| 381 | R | 36.1 | Very low | 38.4 | Very low | 219 Ų | 219 | 160.2 Ų | 160.2 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | cis | -149.9 | -146.3 | 4.7 | -153.1 | -171.3 | -97.6 | -93.2 | 2 | 114.4 | ||||
| 382 | K | 39.6 | Very low | 38.7 | Very low | 188 Ų | 188 | 160.7 Ų | 160.7 | 82% | 0.817 | 84% | 0.839 | S | S | * | * | trans | -162.6 | 151.5 | -177.1 | -83.1 | -171.1 | 176.6 | -177.4 | 0 | 114.8 | ||||
| 383 | H | 34.3 | Very low | 39.2 | Very low | 182 Ų | 182 | 157.7 Ų | 157.7 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | 173.1 | 164.3 | 128.5 | -113.6 | -91.8 | 0 | 0 | 0 | 118.3 | |||||
| 384 | L | 34.2 | Very low | 39.8 | Very low | 175 Ų | 175 | 159.3 Ų | 159.3 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | 85.9 | 142.9 | 163.2 | -73.4 | 170.2 | 0 | 0 | 0 | 122.3 | ||||
| 385 | G | 31 | Very low | 40.3 | Very low | 74 Ų | 74 | 160.4 Ų | 160.4 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 132.9 | 107 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 386 | L | 46.8 | Very low | 41.4 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 116.6 | -179.9 | -106.6 | 172.3 | 0 | 0 | 0 | 113.5 | ||||
| 387 | R | 42 | Very low | 42.2 | Very low | 248 Ų | 248 | 153.2 Ų | 153.2 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | 163.3 | 117.8 | 154.7 | -101.8 | 174.4 | 161.8 | -156.7 | -6.5 | 110.8 | ||||
| 388 | C | 42.4 | Very low | 43.2 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 90% | 0.899 | 78% | 0.775 | S | S | * | * | trans | -164.6 | 19.4 | 165.8 | -141.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 389 | V | 47.3 | Very low | 44 | Very low | 143 Ų | 143 | 151.3 Ų | 151.3 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -135.3 | 85.3 | -176.1 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 390 | Q | 43.8 | Very low | 45 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -159.4 | -7.1 | 165.4 | -124.9 | 164.8 | -3.9 | 0 | 0 | 117.3 | ||
| 391 | H | 40.5 | Very low | 46.1 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -94.8 | -4.1 | -174 | -89.7 | -75.4 | 0 | 0 | 0 | 116.8 | ||
| 392 | A | 49.3 | Very low | 47.2 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -91 | -5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 393 | K | 48.8 | Very low | 48.4 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 79% | 0.787 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -111.2 | -10.7 | -172.8 | -81 | -166.2 | 171.6 | -171 | 0 | 116.7 | ||
| 394 | L | 48.9 | Very low | 49.9 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 60% | 0.602 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -95.5 | -34.7 | -175.9 | -67.6 | 170.5 | 0 | 0 | 0 | 113.9 | V396 T397 E398 | L394-V396 VanDerWaalsContact C-N 3.33Å; L394-V396 PolarHBondContact O-N 2.85Å; L394-T397 PolarHBondContact O-N 3.35Å; L394-T397 PolarHBondContact O-OG1 3.46Å; L394-E398 PolarHBondContact O-N 2.89Å |
| 395 | K | 46.6 | Very low | 51.7 | Low | 156 Ų | 156 | 129.2 Ų | 129.2 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.1 | -29.7 | 179.6 | -78.9 | -164.9 | 168.5 | -167.2 | 0 | 114.5 | Q399 | K395-Q399 PolarHBondContact O-N 3.12Å |
| 396 | V | 53.8 | Low | 53.5 | Low | 106 Ų | 106 | 131.5 Ų | 131.5 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.7 | -31.7 | -178.2 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | L394 S400 | L394-V396 VanDerWaalsContact C-N 3.33Å; L394-V396 PolarHBondContact O-N 2.85Å; V396-S400 PolarHBondContact O-OG 2.87Å |
| 397 | T | 55.3 | Low | 54.8 | Low | 69 Ų | 69 | 128.8 Ų | 128.8 | 42% | 0.423 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -77.2 | -35.8 | 177.7 | 40.3 | 0 | 0 | 0 | 0 | 112.9 | L394 S400 Q401 | L394-T397 PolarHBondContact O-N 3.35Å; L394-T397 PolarHBondContact O-OG1 3.46Å; T397-S400 PolarHBondContact O-OG 3.06Å; T397-Q401 WeakPolarHBondContact O-CG 3.49Å; T397-Q401 PolarHBondContact O-N 3.48Å |
| 398 | E | 54.5 | Low | 56.3 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.3 | -43.6 | -179.4 | -67.9 | 170.4 | 155.4 | 0 | 0 | 112.2 | L394 Q401 S402 | L394-E398 PolarHBondContact O-N 2.89Å; E398-Q401 PolarHBondContact O-N 2.62Å; E398-S402 WeakPolarHBondContact O-CB 3.22Å; E398-S402 PolarHBondContact O-N 2.87Å; E398-S402 VanDerWaalsContact O-N 3.09Å |
| 399 | Q | 56.1 | Low | 57.7 | Low | 124 Ų | 124 | 118.3 Ų | 118.3 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65 | -41.7 | 177.3 | -73.3 | -171.8 | -104.4 | 0 | 0 | 112.6 | K395 Q401 S402 E403 | K395-Q399 PolarHBondContact O-N 3.12Å; Q399-Q401 VanDerWaalsContact C-N 3.32Å; Q399-Q401 PolarHBondContact O-N 2.7Å; Q399-S402 PolarHBondContact O-N 3.46Å; Q399-E403 WeakPolarHBondContact O-CG 3.19Å; Q399-E403 PolarHBondContact O-N 2.77Å |
| 400 | S | 57.4 | Low | 59.1 | Low | 69 Ų | 69 | 117.3 Ų | 117.3 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.4 | -26.9 | -178.6 | 48.9 | 0 | 0 | 0 | 0 | 113.6 | V396 T397 | V396-S400 PolarHBondContact O-OG 2.87Å; T397-S400 PolarHBondContact O-OG 3.06Å |
| 401 | Q | 58.8 | Low | 60.7 | Low | 134 Ų | 134 | 114.7 Ų | 114.7 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.9 | -46.1 | 171 | -72.2 | 176.8 | -22 | 0 | 0 | 111.5 | T397 E398 Q399 E403 Q404 E405 | T397-Q401 WeakPolarHBondContact O-CG 3.49Å; T397-Q401 PolarHBondContact O-N 3.48Å; E398-Q401 PolarHBondContact O-N 2.62Å; Q399-Q401 VanDerWaalsContact C-N 3.32Å; Q399-Q401 PolarHBondContact O-N 2.7Å; Q401-E403 PolarHBondContact O-N 3.17Å; Q401-Q404 PolarHBondContact O-N 3.03Å; Q401-Q404 VanDerWaalsContact O-N 3.13Å; Q401-E405 PolarHBondContact O-N 3.08Å |
| 402 | S | 59.7 | Low | 62.4 | Low | 58 Ų | 58 | 111.1 Ų | 111.1 | 41% | 0.406 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.4 | -40.2 | -179.3 | -165.3 | 0 | 0 | 0 | 0 | 113.4 | E398 Q399 Q404 Q406 | E398-S402 WeakPolarHBondContact O-CB 3.22Å; E398-S402 PolarHBondContact O-N 2.87Å; E398-S402 VanDerWaalsContact O-N 3.09Å; Q399-S402 PolarHBondContact O-N 3.46Å; S402-Q404 VanDerWaalsContact C-N 3.31Å; S402-Q404 PolarHBondContact O-N 2.84Å; S402-Q406 WeakPolarHBondContact O-CG 3.28Å; S402-Q406 PolarHBondContact O-N 3.46Å; S402-Q406 VanDerWaalsContact O-N 3.11Å |
| 403 | E | 65.9 | Low | 63.7 | Low | 107 Ų | 107 | 110.1 Ų | 110.1 | 50% | 0.5 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.2 | -31.9 | 175.2 | -74.4 | -179.9 | -161 | 0 | 0 | 113 | Q399 Q401 K407 | Q399-E403 WeakPolarHBondContact O-CG 3.19Å; Q399-E403 PolarHBondContact O-N 2.77Å; Q401-E403 PolarHBondContact O-N 3.17Å; E403-K407 WeakPolarHBondContact O-CG 3.35Å; E403-K407 PolarHBondContact O-N 3.17Å; E403-K407 VanDerWaalsContact O-N 3.07Å |
| 404 | Q | 65 | Low | 65.3 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74 | -42.3 | 179 | -171.5 | 68.3 | -2.9 | 0 | 0 | 111.2 | Q401 S402 Q406 K407 T408 | Q401-Q404 PolarHBondContact O-N 3.03Å; Q401-Q404 VanDerWaalsContact O-N 3.13Å; S402-Q404 VanDerWaalsContact C-N 3.31Å; S402-Q404 PolarHBondContact O-N 2.84Å; Q404-Q406 PolarHBondContact O-N 2.92Å; Q404-K407 PolarHBondContact O-N 3.24Å; Q404-T408 PolarHBondContact O-N 3.31Å; Q404-T408 PolarHBondContact O-OG1 3.5Å |
| 405 | E | 71.9 | Confident | 66.7 | Low | 126 Ų | 126 | 104.2 Ų | 104.2 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 174 | -70.9 | -173.6 | 150.1 | 0 | 0 | 112.3 | Q401 T408 N409 | Q401-E405 PolarHBondContact O-N 3.08Å; E405-T408 WeakPolarHBondContact CA-OG1 3.38Å; E405-T408 PolarHBondContact O-N 2.81Å; E405-T408 PolarHBondContact O-OG1 2.91Å; E405-N409 WeakPolarHBondContact O-CB 3.41Å; E405-N409 VanDerWaalsContact O-CG 3.31Å; E405-N409 PolarHBondContact O-N 3.23Å; E405-N409 PolarHBondContact O-ND2 2.97Å |
| 406 | Q | 69.2 | Low | 68 | Low | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 174.1 | -72.6 | -173.3 | 7.3 | 0 | 0 | 111.9 | S402 Q404 N409 L410 | S402-Q406 WeakPolarHBondContact O-CG 3.28Å; S402-Q406 PolarHBondContact O-N 3.46Å; S402-Q406 VanDerWaalsContact O-N 3.11Å; Q404-Q406 PolarHBondContact O-N 2.92Å; Q406-N409 PolarHBondContact O-N 2.92Å; Q406-L410 WeakPolarHBondContact O-CB 3.29Å; Q406-L410 VanDerWaalsContact O-CG 3.28Å; Q406-L410 WeakPolarHBondContact O-CG 3.5Å; Q406-L410 PolarHBondContact O-N 2.85Å |
| 407 | K | 74.4 | Confident | 69.3 | Low | 119 Ų | 119 | 99.6 Ų | 99.6 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 174.1 | -83 | 172.6 | 178.7 | 161.8 | 0 | 112.7 | E403 Q404 L410 L411 | E403-K407 WeakPolarHBondContact O-CG 3.35Å; E403-K407 PolarHBondContact O-N 3.17Å; E403-K407 VanDerWaalsContact O-N 3.07Å; Q404-K407 PolarHBondContact O-N 3.24Å; K407-L410 PolarHBondContact O-N 2.73Å; K407-L411 WeakPolarHBondContact O-CB 3.32Å; K407-L411 WeakPolarHBondContact O-CG 3.49Å; K407-L411 PolarHBondContact O-N 2.81Å |
| 408 | T | 72.3 | Confident | 70.7 | Confident | 61 Ų | 61 | 101 Ų | 101 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 177.8 | 47.7 | 0 | 0 | 0 | 0 | 111.7 | Q404 E405 L411 L412 | Q404-T408 PolarHBondContact O-N 3.31Å; Q404-T408 PolarHBondContact O-OG1 3.5Å; E405-T408 WeakPolarHBondContact CA-OG1 3.38Å; E405-T408 PolarHBondContact O-N 2.81Å; E405-T408 PolarHBondContact O-OG1 2.91Å; T408-L411 PolarHBondContact O-N 2.88Å; T408-L412 WeakPolarHBondContact O-CB 3.4Å; T408-L412 VanDerWaalsContact O-CG 3.27Å; T408-L412 WeakPolarHBondContact O-CG 3.43Å; T408-L412 PolarHBondContact O-N 3.39Å |
| 409 | N | 72.9 | Confident | 72.2 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 177.9 | -74.7 | -38.3 | 0 | 0 | 0 | 112.4 | E405 Q406 L412 D413 | E405-N409 WeakPolarHBondContact O-CB 3.41Å; E405-N409 VanDerWaalsContact O-CG 3.31Å; E405-N409 PolarHBondContact O-N 3.23Å; E405-N409 PolarHBondContact O-ND2 2.97Å; Q406-N409 PolarHBondContact O-N 2.92Å; N409-L412 PolarHBondContact O-N 3.05Å; N409-D413 WeakPolarHBondContact O-CB 3.1Å; N409-D413 PolarHBondContact O-N 3.13Å |
| 410 | L | 76.6 | Confident | 73.5 | Confident | 122 Ų | 122 | 100.7 Ų | 100.7 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -35.7 | 174.3 | -72.4 | 168.5 | 0 | 0 | 0 | 112.7 | Q406 K407 G414 | Q406-L410 WeakPolarHBondContact O-CB 3.29Å; Q406-L410 VanDerWaalsContact O-CG 3.28Å; Q406-L410 WeakPolarHBondContact O-CG 3.5Å; Q406-L410 PolarHBondContact O-N 2.85Å; K407-L410 PolarHBondContact O-N 2.73Å; L410-G414 PolarHBondContact O-N 3.19Å |
| 411 | L | 76.9 | Confident | 75 | Confident | 122 Ų | 122 | 102.5 Ų | 102.5 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.3 | -38.7 | 174.2 | -79.8 | 164.8 | 0 | 0 | 0 | 112.6 | K407 T408 K415 | K407-L411 WeakPolarHBondContact O-CB 3.32Å; K407-L411 WeakPolarHBondContact O-CG 3.49Å; K407-L411 PolarHBondContact O-N 2.81Å; T408-L411 PolarHBondContact O-N 2.88Å; L411-K415 WeakPolarHBondContact O-CG 3.47Å; L411-K415 PolarHBondContact O-N 2.82Å |
| 412 | L | 75.9 | Confident | 76.6 | Confident | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70 | -46.4 | 177.5 | -71.4 | 168.9 | 0 | 0 | 0 | 111.9 | T408 N409 G414 K415 A416 | T408-L412 WeakPolarHBondContact O-CB 3.4Å; T408-L412 VanDerWaalsContact O-CG 3.27Å; T408-L412 WeakPolarHBondContact O-CG 3.43Å; T408-L412 PolarHBondContact O-N 3.39Å; N409-L412 PolarHBondContact O-N 3.05Å; L412-G414 VanDerWaalsContact C-N 3.3Å; L412-G414 PolarHBondContact O-N 2.97Å; L412-K415 PolarHBondContact O-N 3.29Å; L412-A416 WeakPolarHBondContact O-CB 3.41Å; L412-A416 PolarHBondContact O-N 2.96Å |
| 413 | D | 77.5 | Confident | 77.9 | Confident | 72 Ų | 72 | 103.2 Ų | 103.2 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 173.7 | 173.2 | 54 | 0 | 0 | 0 | 111.7 | N409 K417 | N409-D413 WeakPolarHBondContact O-CB 3.1Å; N409-D413 PolarHBondContact O-N 3.13Å; D413-K417 VanDerWaalsContact O-CB 3.3Å; D413-K417 WeakPolarHBondContact O-CB 3.34Å; D413-K417 WeakPolarHBondContact O-CD 3.4Å; D413-K417 VanDerWaalsContact O-CG 3.24Å; D413-K417 WeakPolarHBondContact O-CG 3.27Å; D413-K417 PolarHBondContact O-N 2.88Å; D413-K417 WeakPolarHBondContact OD1-CE 3.21Å; D413-K417 IonicContact OD1-NZ 3.83Å; D413-K417 PolarHBondContact OD1-NZ 3.27Å; D413-K417 VanDerWaalsContact OD1-NZ 3.07Å; D413-K417 WeakPolarHBondContact OD2-CE 3.17Å; D413-K417 IonicContact OD2-NZ 2.69Å; D413-K417 PolarHBondContact OD2-NZ 3.3Å |
| 414 | G | 81.1 | Confident | 79 | Confident | 36 Ų | 36 | 106 Ų | 106 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L410 L412 K417 E418 | L410-G414 PolarHBondContact O-N 3.19Å; L412-G414 VanDerWaalsContact C-N 3.3Å; L412-G414 PolarHBondContact O-N 2.97Å; G414-K417 PolarHBondContact O-N 3.01Å; G414-E418 PolarHBondContact O-N 3.37Å; G414-E418 VanDerWaalsContact O-N 3.13Å |
| 415 | K | 78.8 | Confident | 80.3 | Confident | 135 Ų | 135 | 105.5 Ų | 105.5 | 59% | 0.587 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -50.3 | 175.6 | -77.6 | -175 | 173.9 | -170 | 0 | 112.2 | L411 L412 K417 E418 E419 | L411-K415 WeakPolarHBondContact O-CG 3.47Å; L411-K415 PolarHBondContact O-N 2.82Å; L412-K415 PolarHBondContact O-N 3.29Å; K415-K417 PolarHBondContact O-N 3.3Å; K415-E418 PolarHBondContact O-N 3.46Å; K415-E419 WeakPolarHBondContact O-CG 3.28Å; K415-E419 PolarHBondContact O-N 2.87Å |
| 416 | A | 74.1 | Confident | 81.2 | Confident | 50 Ų | 50 | 101.8 Ų | 101.8 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -33.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L412 K420 | L412-A416 WeakPolarHBondContact O-CB 3.41Å; L412-A416 PolarHBondContact O-N 2.96Å; A416-K420 WeakPolarHBondContact O-CB 3.41Å; A416-K420 PolarHBondContact O-N 2.93Å |
| 417 | K | 80.2 | Confident | 82.2 | Confident | 116 Ų | 116 | 101.7 Ų | 101.7 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -37.9 | 172.8 | -79.4 | 166.6 | 176.6 | 163.1 | 0 | 112.8 | D413 G414 K415 K421 | D413-K417 VanDerWaalsContact O-CB 3.3Å; D413-K417 WeakPolarHBondContact O-CB 3.34Å; D413-K417 WeakPolarHBondContact O-CD 3.4Å; D413-K417 VanDerWaalsContact O-CG 3.24Å; D413-K417 WeakPolarHBondContact O-CG 3.27Å; D413-K417 PolarHBondContact O-N 2.88Å; D413-K417 WeakPolarHBondContact OD1-CE 3.21Å; D413-K417 IonicContact OD1-NZ 3.83Å; D413-K417 PolarHBondContact OD1-NZ 3.27Å; D413-K417 VanDerWaalsContact OD1-NZ 3.07Å; D413-K417 WeakPolarHBondContact OD2-CE 3.17Å; D413-K417 IonicContact OD2-NZ 2.69Å; D413-K417 PolarHBondContact OD2-NZ 3.3Å; G414-K417 PolarHBondContact O-N 3.01Å; K415-K417 PolarHBondContact O-N 3.3Å; K417-K421 WeakPolarHBondContact O-CG 3.44Å; K417-K421 PolarHBondContact O-N 3.06Å; K417-K421 VanDerWaalsContact O-N 3.13Å |
| 418 | E | 86.3 | Confident | 82.9 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.1 | -44.3 | 178.7 | -152.7 | 61.7 | -149.3 | 0 | 0 | 112 | G414 K415 K420 K421 V422 | G414-E418 PolarHBondContact O-N 3.37Å; G414-E418 VanDerWaalsContact O-N 3.13Å; K415-E418 PolarHBondContact O-N 3.46Å; E418-K420 PolarHBondContact O-N 3.37Å; E418-K421 VanDerWaalsContact CD-NZ 3.35Å; E418-K421 WeakPolarHBondContact O-CA 3.22Å; E418-K421 WeakPolarHBondContact O-CB 3.38Å; E418-K421 PolarHBondContact O-N 2.69Å; E418-K421 WeakPolarHBondContact OE1-CD 3.34Å; E418-K421 IonicContact OE1-NZ 2.86Å; E418-K421 PolarHBondContact OE1-NZ 3.09Å; E418-K421 WeakPolarHBondContact OE2-CE 3.49Å; E418-K421 IonicContact OE2-NZ 2.76Å; E418-K421 PolarHBondContact OE2-NZ 3.22Å; E418-V422 WeakPolarHBondContact O-CG2 3.47Å; E418-V422 PolarHBondContact O-N 3.03Å |
| 419 | E | 84.6 | Confident | 83.8 | Confident | 116 Ų | 116 | 102.7 Ų | 102.7 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -54.3 | -42.7 | 170.7 | -71.2 | 163.2 | -163.5 | 0 | 0 | 110.8 | K415 K421 V422 L423 | K415-E419 WeakPolarHBondContact O-CG 3.28Å; K415-E419 PolarHBondContact O-N 2.87Å; E419-K421 VanDerWaalsContact C-N 3.32Å; E419-K421 PolarHBondContact O-N 3.5Å; E419-V422 PolarHBondContact O-N 2.76Å; E419-L423 WeakPolarHBondContact O-CB 3.36Å; E419-L423 WeakPolarHBondContact O-CG 3.21Å; E419-L423 PolarHBondContact O-N 2.86Å |
| 420 | K | 83.4 | Confident | 84.6 | Confident | 126 Ų | 126 | 103.4 Ų | 103.4 | 55% | 0.548 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -24.9 | 174.7 | -173.5 | 170.7 | -174.2 | 168.9 | 0 | 114.1 | A416 E418 R424 | A416-K420 WeakPolarHBondContact O-CB 3.41Å; A416-K420 PolarHBondContact O-N 2.93Å; E418-K420 PolarHBondContact O-N 3.37Å; K420-R424 WeakPolarHBondContact O-CB 3.32Å; K420-R424 WeakPolarHBondContact O-CD 3.47Å; K420-R424 WeakPolarHBondContact O-CG 3.3Å; K420-R424 PolarHBondContact O-N 3.34Å |
| 421 | K | 89.4 | Confident | 85.2 | Confident | 108 Ų | 108 | 100.6 Ų | 100.6 | 47% | 0.47 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.1 | -46.6 | 168.3 | -69.5 | 178.6 | -162.3 | 159.8 | 0 | 111 | K417 E418 E419 L423 R424 L425 | K417-K421 WeakPolarHBondContact O-CG 3.44Å; K417-K421 PolarHBondContact O-N 3.06Å; K417-K421 VanDerWaalsContact O-N 3.13Å; E418-K421 VanDerWaalsContact CD-NZ 3.35Å; E418-K421 WeakPolarHBondContact O-CA 3.22Å; E418-K421 WeakPolarHBondContact O-CB 3.38Å; E418-K421 PolarHBondContact O-N 2.69Å; E418-K421 WeakPolarHBondContact OE1-CD 3.34Å; E418-K421 IonicContact OE1-NZ 2.86Å; E418-K421 PolarHBondContact OE1-NZ 3.09Å; E418-K421 WeakPolarHBondContact OE2-CE 3.49Å; E418-K421 IonicContact OE2-NZ 2.76Å; E418-K421 PolarHBondContact OE2-NZ 3.22Å; E419-K421 VanDerWaalsContact C-N 3.32Å; E419-K421 PolarHBondContact O-N 3.5Å; K421-L423 PolarHBondContact O-N 3.18Å; K421-R424 WeakPolarHBondContact O-CB 3.3Å; K421-R424 PolarHBondContact O-N 2.94Å; K421-R424 VanDerWaalsContact O-N 3.12Å; K421-L425 WeakPolarHBondContact O-CG 3.44Å; K421-L425 PolarHBondContact O-N 3.34Å |
| 422 | V | 91.5 | Very high | 85.9 | Confident | 82 Ų | 82 | 98 Ų | 98 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 179.2 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | E418 E419 R424 L425 S426 | E418-V422 WeakPolarHBondContact O-CG2 3.47Å; E418-V422 PolarHBondContact O-N 3.03Å; E419-V422 PolarHBondContact O-N 2.76Å; V422-R424 VanDerWaalsContact C-N 3.28Å; V422-R424 PolarHBondContact O-N 3.03Å; V422-L425 PolarHBondContact O-N 2.93Å; V422-L425 VanDerWaalsContact O-N 3.1Å; V422-S426 PolarHBondContact O-N 2.79Å; V422-S426 PolarHBondContact O-OG 3.17Å |
| 423 | L | 87.9 | Confident | 86.6 | Confident | 125 Ų | 125 | 100.9 Ų | 100.9 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.5 | -35.6 | 176.2 | -70.6 | 170.2 | 0 | 0 | 0 | 113 | E419 K421 L427 | E419-L423 WeakPolarHBondContact O-CB 3.36Å; E419-L423 WeakPolarHBondContact O-CG 3.21Å; E419-L423 PolarHBondContact O-N 2.86Å; K421-L423 PolarHBondContact O-N 3.18Å; L423-L427 VanDerWaalsContact O-CB 3.28Å; L423-L427 WeakPolarHBondContact O-CB 3.39Å; L423-L427 PolarHBondContact O-N 2.64Å |
| 424 | R | 90.1 | Very high | 87.1 | Confident | 164 Ų | 164 | 103.4 Ų | 103.4 | 62% | 0.619 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 173.9 | -81.5 | 171.6 | 167.2 | -176.7 | -7.9 | 112.4 | K420 K421 V422 L427 T428 | K420-R424 WeakPolarHBondContact O-CB 3.32Å; K420-R424 WeakPolarHBondContact O-CD 3.47Å; K420-R424 WeakPolarHBondContact O-CG 3.3Å; K420-R424 PolarHBondContact O-N 3.34Å; K421-R424 WeakPolarHBondContact O-CB 3.3Å; K421-R424 PolarHBondContact O-N 2.94Å; K421-R424 VanDerWaalsContact O-N 3.12Å; V422-R424 VanDerWaalsContact C-N 3.28Å; V422-R424 PolarHBondContact O-N 3.03Å; R424-L427 PolarHBondContact O-N 3.46Å; R424-T428 PolarHBondContact O-N 3.37Å; R424-T428 PolarHBondContact O-OG1 3.47Å; R424-T428 VanDerWaalsContact O-OG1 3.13Å |
| 425 | L | 92.2 | Very high | 87.4 | Confident | 106 Ų | 106 | 108.6 Ų | 108.6 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 177.1 | -71.9 | 166.9 | 0 | 0 | 0 | 111.1 | K421 V422 L427 T428 Q429 | K421-L425 WeakPolarHBondContact O-CG 3.44Å; K421-L425 PolarHBondContact O-N 3.34Å; V422-L425 PolarHBondContact O-N 2.93Å; V422-L425 VanDerWaalsContact O-N 3.1Å; L425-L427 VanDerWaalsContact C-N 3.35Å; L425-L427 PolarHBondContact O-N 3.04Å; L425-T428 WeakPolarHBondContact CA-OG1 3.5Å; L425-T428 PolarHBondContact O-N 2.88Å; L425-T428 PolarHBondContact O-OG1 3.34Å; L425-Q429 VanDerWaalsContact O-CG 3.3Å; L425-Q429 WeakPolarHBondContact O-CG 3.47Å; L425-Q429 PolarHBondContact O-N 2.85Å |
| 426 | S | 89.3 | Confident | 87.9 | Confident | 49 Ų | 49 | 108.3 Ų | 108.3 | 34% | 0.343 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 173.1 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | V422 Q429 L430 | V422-S426 PolarHBondContact O-N 2.79Å; V422-S426 PolarHBondContact O-OG 3.17Å; S426-Q429 PolarHBondContact O-N 3.38Å; S426-L430 WeakPolarHBondContact O-CB 3.42Å; S426-L430 VanDerWaalsContact O-CG 3.32Å; S426-L430 WeakPolarHBondContact O-CG 3.38Å; S426-L430 PolarHBondContact O-N 3.03Å |
| 427 | L | 90.6 | Very high | 88.6 | Confident | 120 Ų | 120 | 110.9 Ų | 110.9 | 63% | 0.628 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -40.1 | 175.8 | -172.5 | 68.9 | 0 | 0 | 0 | 112.2 | L423 R424 L425 S431 | L423-L427 VanDerWaalsContact O-CB 3.28Å; L423-L427 WeakPolarHBondContact O-CB 3.39Å; L423-L427 PolarHBondContact O-N 2.64Å; R424-L427 PolarHBondContact O-N 3.46Å; L425-L427 VanDerWaalsContact C-N 3.35Å; L425-L427 PolarHBondContact O-N 3.04Å; L427-S431 WeakPolarHBondContact O-CB 3.09Å; L427-S431 PolarHBondContact O-N 2.9Å |
| 428 | T | 89.7 | Confident | 88.8 | Confident | 74 Ų | 74 | 109.5 Ų | 109.5 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 172.8 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | R424 L425 L430 S431 D432 | R424-T428 PolarHBondContact O-N 3.37Å; R424-T428 PolarHBondContact O-OG1 3.47Å; R424-T428 VanDerWaalsContact O-OG1 3.13Å; L425-T428 WeakPolarHBondContact CA-OG1 3.5Å; L425-T428 PolarHBondContact O-N 2.88Å; L425-T428 PolarHBondContact O-OG1 3.34Å; T428-L430 VanDerWaalsContact C-N 3.32Å; T428-L430 PolarHBondContact O-N 2.84Å; T428-S431 WeakPolarHBondContact O-CB 3.29Å; T428-S431 PolarHBondContact O-N 2.95Å; T428-S431 VanDerWaalsContact O-N 3.1Å; T428-D432 PolarHBondContact O-N 3.46Å |
| 429 | Q | 91.4 | Very high | 88.8 | Confident | 127 Ų | 127 | 108.6 Ų | 108.6 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.3 | -38.9 | 177 | -72.6 | 168.5 | -14.6 | 0 | 0 | 112.6 | L425 S426 R433 | L425-Q429 VanDerWaalsContact O-CG 3.3Å; L425-Q429 WeakPolarHBondContact O-CG 3.47Å; L425-Q429 PolarHBondContact O-N 2.85Å; S426-Q429 PolarHBondContact O-N 3.38Å; Q429-R433 VanDerWaalsContact O-CB 3.25Å; Q429-R433 WeakPolarHBondContact O-CB 3.3Å; Q429-R433 PolarHBondContact O-N 2.95Å |
| 430 | L | 90.1 | Very high | 88.8 | Confident | 114 Ų | 114 | 109.5 Ų | 109.5 | 60% | 0.597 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.6 | -40.5 | 174 | -72 | 170.7 | 0 | 0 | 0 | 112.1 | S426 T428 Q434 | S426-L430 WeakPolarHBondContact O-CB 3.42Å; S426-L430 VanDerWaalsContact O-CG 3.32Å; S426-L430 WeakPolarHBondContact O-CG 3.38Å; S426-L430 PolarHBondContact O-N 3.03Å; T428-L430 VanDerWaalsContact C-N 3.32Å; T428-L430 PolarHBondContact O-N 2.84Å; L430-Q434 VanDerWaalsContact O-CB 3.31Å; L430-Q434 WeakPolarHBondContact O-CB 3.42Å; L430-Q434 PolarHBondContact O-N 3.44Å |
| 431 | S | 88.8 | Confident | 88.8 | Confident | 64 Ų | 64 | 105.6 Ų | 105.6 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | L427 T428 Q434 R435 | L427-S431 WeakPolarHBondContact O-CB 3.09Å; L427-S431 PolarHBondContact O-N 2.9Å; T428-S431 WeakPolarHBondContact O-CB 3.29Å; T428-S431 PolarHBondContact O-N 2.95Å; T428-S431 VanDerWaalsContact O-N 3.1Å; S431-Q434 PolarHBondContact O-N 3.43Å; S431-R435 PolarHBondContact O-N 2.86Å |
| 432 | D | 90.8 | Very high | 88.5 | Confident | 67 Ų | 67 | 102.9 Ų | 102.9 | 36% | 0.358 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 176.4 | -66.7 | -37 | 0 | 0 | 0 | 110.9 | T428 Q434 R435 E436 | T428-D432 PolarHBondContact O-N 3.46Å; D432-Q434 VanDerWaalsContact C-N 3.3Å; D432-Q434 PolarHBondContact O-N 3.48Å; D432-R435 WeakPolarHBondContact O-CA 3.37Å; D432-R435 VanDerWaalsContact O-CB 3.3Å; D432-R435 WeakPolarHBondContact O-CB 3.47Å; D432-R435 PolarHBondContact O-N 2.85Å; D432-R435 IonicContact OD1-CZ 3.78Å; D432-R435 IonicContact OD1-NH1 3.14Å; D432-R435 PolarHBondContact OD1-NH1 3.07Å; D432-R435 IonicContact OD1-NH2 3.3Å; D432-R435 PolarHBondContact OD1-NH2 2.94Å; D432-E436 WeakPolarHBondContact O-CG 3.21Å; D432-E436 PolarHBondContact O-N 3.38Å |
| 433 | R | 90.8 | Very high | 88.1 | Confident | 170 Ų | 170 | 104 Ų | 104 | 64% | 0.642 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -33.5 | 174.6 | -172.1 | 171.3 | -178.9 | 150.9 | 0.9 | 113 | Q429 R435 E436 L437 | Q429-R433 VanDerWaalsContact O-CB 3.25Å; Q429-R433 WeakPolarHBondContact O-CB 3.3Å; Q429-R433 PolarHBondContact O-N 2.95Å; R433-R435 VanDerWaalsContact C-N 3.34Å; R433-E436 PolarHBondContact O-N 3.32Å; R433-L437 HydrophobicContact CG-CD1 4.48Å; R433-L437 VanDerWaalsContact O-CG 3.3Å; R433-L437 WeakPolarHBondContact O-CG 3.37Å; R433-L437 PolarHBondContact O-N 2.92Å |
| 434 | Q | 87.1 | Confident | 87.9 | Confident | 126 Ų | 126 | 99 Ų | 99 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.3 | -34.8 | 172.5 | -174.7 | 170.1 | -4.9 | 0 | 0 | 111.7 | L430 S431 D432 L437 L438 | L430-Q434 VanDerWaalsContact O-CB 3.31Å; L430-Q434 WeakPolarHBondContact O-CB 3.42Å; L430-Q434 PolarHBondContact O-N 3.44Å; S431-Q434 PolarHBondContact O-N 3.43Å; D432-Q434 VanDerWaalsContact C-N 3.3Å; D432-Q434 PolarHBondContact O-N 3.48Å; Q434-L437 PolarHBondContact O-N 3.44Å; Q434-L438 HydrophobicContact CG-CD1 4.36Å; Q434-L438 VanDerWaalsContact O-CG 3.32Å; Q434-L438 WeakPolarHBondContact O-CG 3.48Å; Q434-L438 PolarHBondContact O-N 3.46Å; Q434-L438 VanDerWaalsContact O-N 3.07Å |
| 435 | R | 88.4 | Confident | 87.6 | Confident | 144 Ų | 144 | 92 Ų | 92 | 54% | 0.543 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 173.6 | -159.6 | -175.7 | -50.5 | 112.2 | 17.1 | 111.9 | S431 D432 R433 L438 D439 | S431-R435 PolarHBondContact O-N 2.86Å; D432-R435 WeakPolarHBondContact O-CA 3.37Å; D432-R435 VanDerWaalsContact O-CB 3.3Å; D432-R435 WeakPolarHBondContact O-CB 3.47Å; D432-R435 PolarHBondContact O-N 2.85Å; D432-R435 IonicContact OD1-CZ 3.78Å; D432-R435 IonicContact OD1-NH1 3.14Å; D432-R435 PolarHBondContact OD1-NH1 3.07Å; D432-R435 IonicContact OD1-NH2 3.3Å; D432-R435 PolarHBondContact OD1-NH2 2.94Å; R433-R435 VanDerWaalsContact C-N 3.34Å; R435-L438 PolarHBondContact O-N 3.03Å; R435-D439 WeakPolarHBondContact O-CB 3.36Å; R435-D439 PolarHBondContact O-N 2.86Å |
| 436 | E | 90.3 | Very high | 87.1 | Confident | 130 Ų | 130 | 93.1 Ų | 93.1 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 173.3 | -68.5 | 172.4 | 164.9 | 0 | 0 | 111.9 | D432 R433 L438 D439 F440 | D432-E436 WeakPolarHBondContact O-CG 3.21Å; D432-E436 PolarHBondContact O-N 3.38Å; R433-E436 PolarHBondContact O-N 3.32Å; E436-L438 PolarHBondContact O-N 2.67Å; E436-D439 PolarHBondContact O-N 3.45Å; E436-F440 WeakPolarHBondContact O-CB 3.33Å; E436-F440 PolarHBondContact O-N 3.09Å |
| 437 | L | 86.8 | Confident | 86.5 | Confident | 104 Ų | 104 | 96.6 Ų | 96.6 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 177.5 | -74.5 | 168.6 | 0 | 0 | 0 | 112.7 | R433 Q434 Q441 | R433-L437 HydrophobicContact CG-CD1 4.48Å; R433-L437 VanDerWaalsContact O-CG 3.3Å; R433-L437 WeakPolarHBondContact O-CG 3.37Å; R433-L437 PolarHBondContact O-N 2.92Å; Q434-L437 PolarHBondContact O-N 3.44Å; L437-Q441 WeakPolarHBondContact O-CB 3.45Å; L437-Q441 PolarHBondContact O-N 2.96Å |
| 438 | L | 85.2 | Confident | 85.9 | Confident | 87 Ų | 87 | 92.7 Ų | 92.7 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70 | -39.4 | 175.7 | -71.7 | 167.3 | 0 | 0 | 0 | 112.3 | Q434 R435 E436 Q441 S442 | Q434-L438 HydrophobicContact CG-CD1 4.36Å; Q434-L438 VanDerWaalsContact O-CG 3.32Å; Q434-L438 WeakPolarHBondContact O-CG 3.48Å; Q434-L438 PolarHBondContact O-N 3.46Å; Q434-L438 VanDerWaalsContact O-N 3.07Å; R435-L438 PolarHBondContact O-N 3.03Å; E436-L438 PolarHBondContact O-N 2.67Å; L438-Q441 PolarHBondContact O-N 3.17Å; L438-S442 WeakPolarHBondContact O-CB 3.47Å; L438-S442 PolarHBondContact O-N 3.34Å |
| 439 | D | 86 | Confident | 85.2 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 174 | 176.4 | 53.8 | 0 | 0 | 0 | 111.6 | R435 E436 S442 K443 | R435-D439 WeakPolarHBondContact O-CB 3.36Å; R435-D439 PolarHBondContact O-N 2.86Å; E436-D439 PolarHBondContact O-N 3.45Å; D439-S442 PolarHBondContact O-N 3.17Å; D439-K443 VanDerWaalsContact CG-NZ 3.28Å; D439-K443 WeakPolarHBondContact O-CD 3.45Å; D439-K443 WeakPolarHBondContact O-CG 3.39Å; D439-K443 PolarHBondContact O-N 3.42Å; D439-K443 WeakPolarHBondContact OD1-CE 3.42Å; D439-K443 IonicContact OD1-NZ 3.71Å; D439-K443 PolarHBondContact OD1-NZ 3.45Å; D439-K443 WeakPolarHBondContact OD2-CE 3.25Å; D439-K443 IonicContact OD2-NZ 2.7Å; D439-K443 PolarHBondContact OD2-NZ 3.41Å |
| 440 | F | 85.3 | Confident | 84.5 | Confident | 135 Ų | 135 | 88.3 Ų | 88.3 | 59% | 0.592 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.7 | -47.4 | 170.5 | 179.2 | -100 | 0 | 0 | 0 | 112.1 | E436 S442 K443 V444 | E436-F440 WeakPolarHBondContact O-CB 3.33Å; E436-F440 PolarHBondContact O-N 3.09Å; F440-S442 VanDerWaalsContact C-N 3.29Å; F440-S442 PolarHBondContact O-N 2.92Å; F440-K443 PolarHBondContact O-N 3.25Å; F440-V444 HydrophobicContact CD1-CG2 4.13Å; F440-V444 HydrophobicContact CD2-CG2 4.34Å; F440-V444 HydrophobicContact CE1-CG2 3.71Å; F440-V444 HydrophobicContact CE2-CG2 3.93Å; F440-V444 HydrophobicContact CG-CG2 4.43Å; F440-V444 HydrophobicContact CZ-CG2 3.6Å; F440-V444 WeakPolarHBondContact O-CG2 3.26Å; F440-V444 PolarHBondContact O-N 3.44Å |
| 441 | Q | 83.3 | Confident | 83.2 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 21% | 0.206 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 176.4 | -171.5 | -173 | 8.2 | 0 | 0 | 111.5 | L437 L438 S445 L457 I462 | L437-Q441 WeakPolarHBondContact O-CB 3.45Å; L437-Q441 PolarHBondContact O-N 2.96Å; L438-Q441 PolarHBondContact O-N 3.17Å; Q441-S445 VanDerWaalsContact O-CB 3.32Å; Q441-S445 WeakPolarHBondContact O-CB 3.31Å; Q441-S445 PolarHBondContact O-N 2.88Å; Q441-S445 PolarHBondContact O-OG 3.2Å; Q441-L457 PolarHBondContact NE2-O 2.88Å; Q441-I462 HydrophobicContact CG-CD1 3.64Å |
| 442 | S | 82.3 | Confident | 81.7 | Confident | 52 Ų | 52 | 89.9 Ų | 89.9 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 175.3 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | L438 D439 F440 V444 S445 Q446 | L438-S442 WeakPolarHBondContact O-CB 3.47Å; L438-S442 PolarHBondContact O-N 3.34Å; D439-S442 PolarHBondContact O-N 3.17Å; F440-S442 VanDerWaalsContact C-N 3.29Å; F440-S442 PolarHBondContact O-N 2.92Å; S442-V444 PolarHBondContact O-N 3.48Å; S442-S445 PolarHBondContact O-N 2.85Å; S442-Q446 WeakPolarHBondContact O-CB 3.48Å; S442-Q446 PolarHBondContact O-N 2.7Å |
| 443 | K | 84.1 | Confident | 80.2 | Confident | 106 Ų | 106 | 92.9 Ų | 92.9 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 178.3 | -73.4 | 164.1 | 180 | 168.4 | 0 | 112.5 | D439 F440 Q446 T447 | D439-K443 VanDerWaalsContact CG-NZ 3.28Å; D439-K443 WeakPolarHBondContact O-CD 3.45Å; D439-K443 WeakPolarHBondContact O-CG 3.39Å; D439-K443 PolarHBondContact O-N 3.42Å; D439-K443 WeakPolarHBondContact OD1-CE 3.42Å; D439-K443 IonicContact OD1-NZ 3.71Å; D439-K443 PolarHBondContact OD1-NZ 3.45Å; D439-K443 WeakPolarHBondContact OD2-CE 3.25Å; D439-K443 IonicContact OD2-NZ 2.7Å; D439-K443 PolarHBondContact OD2-NZ 3.41Å; F440-K443 PolarHBondContact O-N 3.25Å; K443-Q446 PolarHBondContact O-N 2.82Å; K443-T447 WeakPolarHBondContact O-CB 3.3Å; K443-T447 PolarHBondContact O-N 3.4Å; K443-T447 PolarHBondContact O-OG1 2.82Å |
| 444 | V | 83.7 | Confident | 78.4 | Confident | 20 Ų | 20 | 87 Ų | 87 | 12% | 0.121 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 175.2 | 170 | 0 | 0 | 0 | 0 | 110.6 | F440 S442 Q446 T447 L448 I462 L466 | F440-V444 HydrophobicContact CD1-CG2 4.13Å; F440-V444 HydrophobicContact CD2-CG2 4.34Å; F440-V444 HydrophobicContact CE1-CG2 3.71Å; F440-V444 HydrophobicContact CE2-CG2 3.93Å; F440-V444 HydrophobicContact CG-CG2 4.43Å; F440-V444 HydrophobicContact CZ-CG2 3.6Å; F440-V444 WeakPolarHBondContact O-CG2 3.26Å; F440-V444 PolarHBondContact O-N 3.44Å; S442-V444 PolarHBondContact O-N 3.48Å; V444-Q446 PolarHBondContact O-N 2.86Å; V444-T447 WeakPolarHBondContact O-CB 3.43Å; V444-T447 PolarHBondContact O-N 3.48Å; V444-T447 VanDerWaalsContact O-N 3.12Å; V444-L448 HydrophobicContact CG1-CD1 4.07Å; V444-L448 WeakPolarHBondContact O-CG 3.2Å; V444-L448 PolarHBondContact O-N 3.33Å; V444-I462 HydrophobicContact CG1-CG2 3.5Å; V444-I462 VanDerWaalsContact CG1-CG2 3.5Å; V444-L466 HydrophobicContact CG1-CD1 3.89Å; V444-L466 HydrophobicContact CG1-CD2 4.42Å; V444-L466 HydrophobicContact CG1-CG 4.37Å |
| 445 | S | 83.2 | Confident | 76.9 | Confident | 15 Ų | 15 | 88.2 Ų | 88.2 | 11% | 0.105 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | Q441 S442 T447 L448 G449 L450 | Q441-S445 VanDerWaalsContact O-CB 3.32Å; Q441-S445 WeakPolarHBondContact O-CB 3.31Å; Q441-S445 PolarHBondContact O-N 2.88Å; Q441-S445 PolarHBondContact O-OG 3.2Å; S442-S445 PolarHBondContact O-N 2.85Å; S445-T447 VanDerWaalsContact C-N 3.31Å; S445-T447 PolarHBondContact O-N 3.39Å; S445-L448 CarbonylContact O-C 3.41Å; S445-L448 PolarHBondContact O-N 3.44Å; S445-G449 PolarHBondContact O-N 2.82Å; S445-L450 WeakPolarHBondContact O-CB 3.5Å; S445-L450 PolarHBondContact O-N 2.91Å |
| 446 | Q | 81.4 | Confident | 75.5 | Confident | 130 Ų | 130 | 86.3 Ų | 86.3 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.3 | -39.5 | 173.9 | -172.2 | -179.4 | 13 | 0 | 0 | 112.2 | S442 K443 V444 L448 G449 | S442-Q446 WeakPolarHBondContact O-CB 3.48Å; S442-Q446 PolarHBondContact O-N 2.7Å; K443-Q446 PolarHBondContact O-N 2.82Å; V444-Q446 PolarHBondContact O-N 2.86Å; Q446-L448 VanDerWaalsContact C-N 3.31Å; Q446-L448 PolarHBondContact O-N 2.86Å; Q446-G449 PolarHBondContact O-N 3.06Å; Q446-G449 VanDerWaalsContact O-N 3.08Å |
| 447 | T | 77.9 | Confident | 74.3 | Confident | 122 Ų | 122 | 82.1 Ų | 82.1 | 75% | 0.748 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.8 | -32.2 | 177.2 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | K443 V444 S445 G449 | K443-T447 WeakPolarHBondContact O-CB 3.3Å; K443-T447 PolarHBondContact O-N 3.4Å; K443-T447 PolarHBondContact O-OG1 2.82Å; V444-T447 WeakPolarHBondContact O-CB 3.43Å; V444-T447 PolarHBondContact O-N 3.48Å; V444-T447 VanDerWaalsContact O-N 3.12Å; S445-T447 VanDerWaalsContact C-N 3.31Å; S445-T447 PolarHBondContact O-N 3.39Å; T447-G449 PolarHBondContact O-N 3.33Å |
| 448 | L | 78.1 | Confident | 73.9 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 20% | 0.204 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 3.4 | 172.4 | -66.8 | 171.6 | 0 | 0 | 0 | 113.5 | V444 S445 Q446 L450 I462 L465 L466 L469 | V444-L448 HydrophobicContact CG1-CD1 4.07Å; V444-L448 WeakPolarHBondContact O-CG 3.2Å; V444-L448 PolarHBondContact O-N 3.33Å; S445-L448 CarbonylContact O-C 3.41Å; S445-L448 PolarHBondContact O-N 3.44Å; Q446-L448 VanDerWaalsContact C-N 3.31Å; Q446-L448 PolarHBondContact O-N 2.86Å; L448-L450 VanDerWaalsContact C-N 3.27Å; L448-L450 HydrophobicContact CB-CD1 3.88Å; L448-L450 HydrophobicContact CB-CG 4.02Å; L448-L450 HydrophobicContact CD1-CD1 4.13Å; L448-L450 PolarHBondContact O-N 2.99Å; L448-I462 HydrophobicContact CD1-CG2 4.15Å; L448-L465 HydrophobicContact CD1-CB 4.15Å; L448-L466 HydrophobicContact CD1-CG 4.37Å; L448-L466 HydrophobicContact CD2-CD2 4.08Å; L448-L469 HydrophobicContact CD2-CD1 4.05Å |
| 449 | G | 74.9 | Confident | 73.6 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 65% | 0.649 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 13.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S445 Q446 T447 | S445-G449 PolarHBondContact O-N 2.82Å; Q446-G449 PolarHBondContact O-N 3.06Å; Q446-G449 VanDerWaalsContact O-N 3.08Å; T447-G449 PolarHBondContact O-N 3.33Å |
| 450 | L | 75.6 | Confident | 73.3 | Confident | 46 Ų | 46 | 82 Ų | 82 | 24% | 0.241 | 47% | 0.473 | C | S | . | . | trans | -85.4 | 126.9 | -179 | -56.9 | 166.4 | 0 | 0 | 0 | 109.9 | S445 L448 S452 L457 L465 | S445-L450 WeakPolarHBondContact O-CB 3.5Å; S445-L450 PolarHBondContact O-N 2.91Å; L448-L450 VanDerWaalsContact C-N 3.27Å; L448-L450 HydrophobicContact CB-CD1 3.88Å; L448-L450 HydrophobicContact CB-CG 4.02Å; L448-L450 HydrophobicContact CD1-CD1 4.13Å; L448-L450 PolarHBondContact O-N 2.99Å; L450-S452 PolarHBondContact O-N 3.46Å; L450-L457 HydrophobicContact CD1-CD1 3.73Å; L450-L457 HydrophobicContact CD2-CD1 4.44Å; L450-L465 HydrophobicContact CD1-CD1 4.13Å | ||
| 451 | N | 62.9 | Low | 73 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 67% | 0.674 | 46% | 0.464 | S | S | * | . | trans | -63.7 | 130.9 | -176.8 | -73 | -56.6 | 0 | 0 | 0 | 111.5 | T453 S454 | N451-T453 PolarHBondContact O-N 2.87Å; N451-S454 PolarHBondContact O-N 3.08Å; N451-S454 PolarHBondContact O-OG 2.83Å; N451-S454 VanDerWaalsContact O-OG 3.04Å | ||
| 452 | S | 58.1 | Low | 73 | Confident | 84 Ų | 84 | 78.2 Ų | 78.2 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -2.4 | -173.2 | -43.3 | 0 | 0 | 0 | 0 | 116.1 | L450 | L450-S452 PolarHBondContact O-N 3.46Š|
| 453 | T | 57.9 | Low | 73 | Confident | 131 Ų | 131 | 79.6 Ų | 79.6 | 80% | 0.804 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -15.3 | 171.9 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | N451 L455 | N451-T453 PolarHBondContact O-N 2.87Å; T453-L455 PolarHBondContact O-N 3.15Å |
| 454 | S | 54.1 | Low | 73 | Confident | 46 Ų | 46 | 80.4 Ų | 80.4 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | trans | -81.9 | 62.9 | 179.9 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | N451 S456 | N451-S454 PolarHBondContact O-N 3.08Å; N451-S454 PolarHBondContact O-OG 2.83Å; N451-S454 VanDerWaalsContact O-OG 3.04Å; S454-S456 PolarHBondContact O-N 2.88Å | ||
| 455 | L | 54.7 | Low | 73 | Confident | 151 Ų | 151 | 82.6 Ų | 82.6 | 79% | 0.791 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 15.2 | 179.1 | -124 | 153.2 | 0 | 0 | 0 | 114 | T453 | T453-L455 PolarHBondContact O-N 3.15Š|
| 456 | S | 58.9 | Low | 73 | Confident | 104 Ų | 104 | 85 Ų | 85 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -5 | -172.6 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | S454 | S454-S456 PolarHBondContact O-N 2.88Š|
| 457 | L | 65.4 | Low | 73.2 | Confident | 43 Ų | 43 | 83.3 Ų | 83.3 | 23% | 0.225 | 48% | 0.477 | C | S | . | . | trans | -81.5 | 125.9 | 178.2 | -71.5 | 170.5 | 0 | 0 | 0 | 110.7 | Q441 L450 E461 I462 | Q441-L457 PolarHBondContact NE2-O 2.88Å; L450-L457 HydrophobicContact CD1-CD1 3.73Å; L450-L457 HydrophobicContact CD2-CD1 4.44Å; L457-E461 HydrophobicContact CD2-CB 4.36Å; L457-I462 HydrophobicContact CB-CD1 4.39Å; L457-I462 HydrophobicContact CB-CG1 4.22Å | ||
| 458 | S | 78.3 | Confident | 73.5 | Confident | 51 Ų | 51 | 83.5 Ų | 83.5 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | trans | -73.5 | 154.9 | 175.3 | 71.9 | 0 | 0 | 0 | 0 | 111.4 | N460 E461 I462 | S458-N460 PolarHBondContact O-N 3.32Å; S458-N460 VanDerWaalsContact O-N 3.1Å; S458-E461 VanDerWaalsContact CB-OE2 3.24Å; S458-E461 WeakPolarHBondContact CB-OE2 3.41Å; S458-E461 PolarHBondContact N-OE2 3.11Å; S458-E461 PolarHBondContact O-N 3.33Å; S458-E461 PolarHBondContact OG-N 2.83Å; S458-E461 PolarHBondContact OG-OE2 3.14Å; S458-I462 PolarHBondContact O-N 2.61Å; S458-I462 VanDerWaalsContact O-N 3.16Å | ||
| 459 | N | 79.2 | Confident | 73.7 | Confident | 99 Ų | 99 | 86 Ų | 86 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -54.2 | -33.4 | 176.1 | -66.3 | -8.3 | 0 | 0 | 0 | 112.1 | E461 I462 I463 | N459-E461 VanDerWaalsContact C-N 3.33Å; N459-E461 PolarHBondContact O-N 3.5Å; N459-I462 PolarHBondContact O-N 2.84Å; N459-I463 WeakPolarHBondContact O-CB 3.29Å; N459-I463 WeakPolarHBondContact O-CD1 3.15Å; N459-I463 WeakPolarHBondContact O-CG1 3.49Å; N459-I463 PolarHBondContact O-N 3.44Å |
| 460 | N | 80.4 | Confident | 74.1 | Confident | 116 Ų | 116 | 87.7 Ų | 87.7 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.3 | -29.3 | 179.9 | -62 | -14.7 | 0 | 0 | 0 | 112.8 | S458 K464 | S458-N460 PolarHBondContact O-N 3.32Å; S458-N460 VanDerWaalsContact O-N 3.1Å; N460-K464 VanDerWaalsContact O-CG 3.29Å; N460-K464 WeakPolarHBondContact O-CG 3.22Å; N460-K464 PolarHBondContact O-N 3.43Å |
| 461 | E | 79.6 | Confident | 74.2 | Confident | 87 Ų | 87 | 90.8 Ų | 90.8 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.6 | -38.8 | 175.4 | -68.8 | 156.7 | 127 | 0 | 0 | 110.9 | L457 S458 N459 I463 K464 L465 | L457-E461 HydrophobicContact CD2-CB 4.36Å; S458-E461 VanDerWaalsContact CB-OE2 3.24Å; S458-E461 WeakPolarHBondContact CB-OE2 3.41Å; S458-E461 PolarHBondContact N-OE2 3.11Å; S458-E461 PolarHBondContact O-N 3.33Å; S458-E461 PolarHBondContact OG-N 2.83Å; S458-E461 PolarHBondContact OG-OE2 3.14Å; N459-E461 VanDerWaalsContact C-N 3.33Å; N459-E461 PolarHBondContact O-N 3.5Å; E461-I463 VanDerWaalsContact C-N 3.35Å; E461-K464 PolarHBondContact O-N 2.96Å; E461-L465 WeakPolarHBondContact O-CG 3.29Å; E461-L465 PolarHBondContact O-N 3.42Å |
| 462 | I | 81.8 | Confident | 74.8 | Confident | 11 Ų | 11 | 87.8 Ų | 87.8 | 6% | 0.056 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 173.8 | -61.7 | 172.6 | 0 | 0 | 0 | 110.9 | Q441 V444 L448 L457 S458 N459 L465 L466 | Q441-I462 HydrophobicContact CG-CD1 3.64Å; V444-I462 HydrophobicContact CG1-CG2 3.5Å; V444-I462 VanDerWaalsContact CG1-CG2 3.5Å; L448-I462 HydrophobicContact CD1-CG2 4.15Å; L457-I462 HydrophobicContact CB-CD1 4.39Å; L457-I462 HydrophobicContact CB-CG1 4.22Å; S458-I462 PolarHBondContact O-N 2.61Å; S458-I462 VanDerWaalsContact O-N 3.16Å; N459-I462 PolarHBondContact O-N 2.84Å; I462-L465 PolarHBondContact O-N 3.21Å; I462-L466 HydrophobicContact CG2-CD1 4.39Å; I462-L466 WeakPolarHBondContact O-CG 3.41Å; I462-L466 PolarHBondContact O-N 3.04Å |
| 463 | I | 83.6 | Confident | 75.3 | Confident | 82 Ų | 82 | 89.3 Ų | 89.3 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 174.3 | -72.7 | 163.7 | 0 | 0 | 0 | 110.6 | N459 E461 L465 L466 E467 | N459-I463 WeakPolarHBondContact O-CB 3.29Å; N459-I463 WeakPolarHBondContact O-CD1 3.15Å; N459-I463 WeakPolarHBondContact O-CG1 3.49Å; N459-I463 PolarHBondContact O-N 3.44Å; E461-I463 VanDerWaalsContact C-N 3.35Å; I463-L465 PolarHBondContact O-N 3.27Å; I463-L466 WeakPolarHBondContact O-CB 3.5Å; I463-L466 PolarHBondContact O-N 3.39Å; I463-E467 HydrophobicContact CG2-CG 4.26Å; I463-E467 WeakPolarHBondContact O-CG 3.39Å; I463-E467 PolarHBondContact O-N 2.88Å |
| 464 | K | 83.8 | Confident | 75.7 | Confident | 123 Ų | 123 | 89.1 Ų | 89.1 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 176.6 | -77.2 | 173.6 | 178.9 | -175.4 | 0 | 113.2 | N460 E461 L466 E467 E468 | N460-K464 VanDerWaalsContact O-CG 3.29Å; N460-K464 WeakPolarHBondContact O-CG 3.22Å; N460-K464 PolarHBondContact O-N 3.43Å; E461-K464 PolarHBondContact O-N 2.96Å; K464-L466 VanDerWaalsContact C-N 3.34Å; K464-L466 PolarHBondContact O-N 3.35Å; K464-E467 WeakPolarHBondContact O-CB 3.49Å; K464-E467 PolarHBondContact O-N 2.85Å; K464-E468 WeakPolarHBondContact O-CB 3.35Å; K464-E468 WeakPolarHBondContact O-CG 3.46Å; K464-E468 PolarHBondContact O-N 2.75Å |
| 465 | L | 82.9 | Confident | 76 | Confident | 66 Ų | 66 | 92.8 Ų | 92.8 | 35% | 0.346 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 176.8 | -70.9 | 170 | 0 | 0 | 0 | 112 | L448 L450 E461 I462 I463 L469 | L448-L465 HydrophobicContact CD1-CB 4.15Å; L450-L465 HydrophobicContact CD1-CD1 4.13Å; E461-L465 WeakPolarHBondContact O-CG 3.29Å; E461-L465 PolarHBondContact O-N 3.42Å; I462-L465 PolarHBondContact O-N 3.21Å; I463-L465 PolarHBondContact O-N 3.27Å; L465-L469 VanDerWaalsContact O-CB 3.29Å; L465-L469 WeakPolarHBondContact O-CB 3.48Å; L465-L469 PolarHBondContact O-N 3.28Å |
| 466 | L | 84 | Confident | 76 | Confident | 66 Ų | 66 | 92.3 Ų | 92.3 | 35% | 0.346 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 170.9 | -74.8 | 168.7 | 0 | 0 | 0 | 111.9 | V444 L448 I462 I463 K464 L469 L470 | V444-L466 HydrophobicContact CG1-CD1 3.89Å; V444-L466 HydrophobicContact CG1-CD2 4.42Å; V444-L466 HydrophobicContact CG1-CG 4.37Å; L448-L466 HydrophobicContact CD1-CG 4.37Å; L448-L466 HydrophobicContact CD2-CD2 4.08Å; I462-L466 HydrophobicContact CG2-CD1 4.39Å; I462-L466 WeakPolarHBondContact O-CG 3.41Å; I462-L466 PolarHBondContact O-N 3.04Å; I463-L466 WeakPolarHBondContact O-CB 3.5Å; I463-L466 PolarHBondContact O-N 3.39Å; K464-L466 VanDerWaalsContact C-N 3.34Å; K464-L466 PolarHBondContact O-N 3.35Å; L466-L469 PolarHBondContact O-N 3.01Å; L466-L470 WeakPolarHBondContact O-CB 3.45Å; L466-L470 VanDerWaalsContact O-CG 3.23Å; L466-L470 WeakPolarHBondContact O-CG 3.35Å; L466-L470 PolarHBondContact O-N 2.95Å |
| 467 | E | 85.5 | Confident | 75.8 | Confident | 93 Ų | 93 | 92.8 Ų | 92.8 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 176 | -73.6 | 170.2 | 164.4 | 0 | 0 | 110.9 | I463 K464 L469 L470 H471 | I463-E467 HydrophobicContact CG2-CG 4.26Å; I463-E467 WeakPolarHBondContact O-CG 3.39Å; I463-E467 PolarHBondContact O-N 2.88Å; K464-E467 WeakPolarHBondContact O-CB 3.49Å; K464-E467 PolarHBondContact O-N 2.85Å; E467-L469 VanDerWaalsContact C-N 3.35Å; E467-L469 PolarHBondContact O-N 3.38Å; E467-L470 PolarHBondContact O-N 2.83Å; E467-H471 WeakPolarHBondContact O-CB 3.44Å; E467-H471 PolarHBondContact O-N 2.81Å; E467-H471 PolarHBondContact O-ND1 3.33Å |
| 468 | E | 83.8 | Confident | 75.3 | Confident | 126 Ų | 126 | 97 Ų | 97 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 177.2 | -73.7 | 171.3 | -167.4 | 0 | 0 | 112.1 | K464 S472 | K464-E468 WeakPolarHBondContact O-CB 3.35Å; K464-E468 WeakPolarHBondContact O-CG 3.46Å; K464-E468 PolarHBondContact O-N 2.75Å; E468-S472 WeakPolarHBondContact O-CB 3.31Å; E468-S472 PolarHBondContact O-N 2.83Å; E468-S472 PolarHBondContact O-OG 2.86Å |
| 469 | L | 82.6 | Confident | 73.9 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 176.5 | -165.4 | 150 | 0 | 0 | 0 | 111.9 | L448 L465 L466 E467 S472 H473 | L448-L469 HydrophobicContact CD2-CD1 4.05Å; L465-L469 VanDerWaalsContact O-CB 3.29Å; L465-L469 WeakPolarHBondContact O-CB 3.48Å; L465-L469 PolarHBondContact O-N 3.28Å; L466-L469 PolarHBondContact O-N 3.01Å; E467-L469 VanDerWaalsContact C-N 3.35Å; E467-L469 PolarHBondContact O-N 3.38Å; L469-S472 WeakPolarHBondContact CA-OG 3.26Å; L469-S472 PolarHBondContact O-OG 2.89Å; L469-S472 VanDerWaalsContact O-OG 3.04Å; L469-H473 WeakPolarHBondContact O-CB 3.36Å; L469-H473 PolarHBondContact O-N 3.32Å; L469-H473 VanDerWaalsContact O-N 3.16Å |
| 470 | L | 81.9 | Confident | 72.5 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.9 | -46.5 | 173.4 | -74.1 | 168.7 | 0 | 0 | 0 | 111.7 | L466 E467 H473 H474 | L466-L470 WeakPolarHBondContact O-CB 3.45Å; L466-L470 VanDerWaalsContact O-CG 3.23Å; L466-L470 WeakPolarHBondContact O-CG 3.35Å; L466-L470 PolarHBondContact O-N 2.95Å; E467-L470 PolarHBondContact O-N 2.83Å; L470-H473 PolarHBondContact O-N 2.86Å; L470-H474 PolarHBondContact O-N 3.38Å; L470-H474 PolarHBondContact O-ND1 3.04Å |
| 471 | H | 79.4 | Confident | 70.9 | Confident | 112 Ų | 112 | 97.6 Ų | 97.6 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 179.8 | -77.3 | 89.7 | 0 | 0 | 0 | 111.6 | E467 H473 H474 H475 | E467-H471 WeakPolarHBondContact O-CB 3.44Å; E467-H471 PolarHBondContact O-N 2.81Å; E467-H471 PolarHBondContact O-ND1 3.33Å; H471-H473 VanDerWaalsContact C-N 3.34Å; H471-H473 PolarHBondContact O-N 3.09Å; H471-H474 PolarHBondContact O-N 2.94Å; H471-H475 PolarHBondContact O-CD2 3.12Å; H471-H475 PolarHBondContact O-N 3.02Å |
| 472 | S | 74.5 | Confident | 69.4 | Low | 63 Ų | 63 | 100.1 Ų | 100.1 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.9 | 53 | 0 | 0 | 0 | 0 | 112 | E468 L469 H475 H476 | E468-S472 WeakPolarHBondContact O-CB 3.31Å; E468-S472 PolarHBondContact O-N 2.83Å; E468-S472 PolarHBondContact O-OG 2.86Å; L469-S472 WeakPolarHBondContact CA-OG 3.26Å; L469-S472 PolarHBondContact O-OG 2.89Å; L469-S472 VanDerWaalsContact O-OG 3.04Å; S472-H475 PolarHBondContact O-N 3.36Å; S472-H476 PolarHBondContact O-N 3.4Å |
| 473 | H | 67.9 | Low | 67.6 | Low | 115 Ų | 115 | 108.3 Ų | 108.3 | 53% | 0.532 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 174.3 | -159.6 | -44.6 | 0 | 0 | 0 | 112.9 | L469 L470 H471 H477 | L469-H473 WeakPolarHBondContact O-CB 3.36Å; L469-H473 PolarHBondContact O-N 3.32Å; L469-H473 VanDerWaalsContact O-N 3.16Å; L470-H473 PolarHBondContact O-N 2.86Å; H471-H473 VanDerWaalsContact C-N 3.34Å; H471-H473 PolarHBondContact O-N 3.09Å; H473-H477 AromaticContact CE1-CD2 3.86Å; H473-H477 AromaticContact ND1-CD2 3.87Å; H473-H477 PolarHBondContact O-N 3.13Å |
| 474 | H | 67.6 | Low | 65.4 | Low | 127 Ų | 127 | 107.2 Ų | 107.2 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68 | -43.4 | 173.9 | -78.1 | 68.5 | 0 | 0 | 0 | 111.5 | L470 H471 H477 H478 | L470-H474 PolarHBondContact O-N 3.38Å; L470-H474 PolarHBondContact O-ND1 3.04Å; H471-H474 PolarHBondContact O-N 2.94Å; H474-H477 PolarHBondContact O-N 3.38Å; H474-H478 PolarHBondContact O-N 3.1Å |
| 475 | H | 59.4 | Low | 63.6 | Low | 123 Ų | 123 | 106.3 Ų | 106.3 | 57% | 0.569 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.4 | -41.3 | 176.3 | -74.2 | -56.4 | 0 | 0 | 0 | 112.3 | H471 S472 H478 V479 | H471-H475 PolarHBondContact O-CD2 3.12Å; H471-H475 PolarHBondContact O-N 3.02Å; S472-H475 PolarHBondContact O-N 3.36Å; H475-H478 PolarHBondContact O-N 3.03Å; H475-V479 WeakPolarHBondContact O-CG2 3.38Å; H475-V479 PolarHBondContact O-N 2.92Å |
| 476 | H | 55.1 | Low | 61.8 | Low | 141 Ų | 141 | 108.3 Ų | 108.3 | 65% | 0.653 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.9 | -41 | 172.3 | -85.5 | 20.3 | 0 | 0 | 0 | 112.3 | S472 H478 V479 C480 | S472-H476 PolarHBondContact O-N 3.4Å; H476-H478 PolarHBondContact O-N 2.91Å; H476-V479 PolarHBondContact O-N 3.48Å; H476-C480 WeakPolarHBondContact O-CB 3.43Å; H476-C480 PolarHBondContact O-N 2.88Å; H476-C480 PolarHBondContact O-SG 3.19Å; H476-C480 VanDerWaalsContact O-SG 3.4Å |
| 477 | H | 55.1 | Low | 59.9 | Low | 114 Ų | 114 | 110.8 Ų | 110.8 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.8 | -46.3 | 173.9 | -117.2 | -51 | 0 | 0 | 0 | 112 | H473 H474 V479 C480 C481 | H473-H477 AromaticContact CE1-CD2 3.86Å; H473-H477 AromaticContact ND1-CD2 3.87Å; H473-H477 PolarHBondContact O-N 3.13Å; H474-H477 PolarHBondContact O-N 3.38Å; H477-V479 VanDerWaalsContact C-N 3.35Å; H477-V479 PolarHBondContact O-N 2.95Å; H477-C480 PolarHBondContact O-N 2.66Å; H477-C481 PolarHBondContact O-N 3.4Å; H477-C481 PolarHBondContact O-SG 3.22Å |
| 478 | H | 54.4 | Low | 57.8 | Low | 131 Ų | 131 | 117.6 Ų | 117.6 | 61% | 0.606 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.1 | -35.2 | -178 | -133.5 | -60.3 | 0 | 0 | 0 | 112.9 | H474 H475 H476 H482 | H474-H478 PolarHBondContact O-N 3.1Å; H475-H478 PolarHBondContact O-N 3.03Å; H476-H478 PolarHBondContact O-N 2.91Å; H478-H482 AromaticContact ND1-NE2 3.69Å; H478-H482 PolarHBondContact O-CD2 2.94Å |
| 479 | V | 49.6 | Very low | 55.7 | Low | 100 Ų | 100 | 119.9 Ų | 119.9 | 61% | 0.606 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.7 | -44.3 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | H475 H476 H477 C481 H482 | H475-V479 WeakPolarHBondContact O-CG2 3.38Å; H475-V479 PolarHBondContact O-N 2.92Å; H476-V479 PolarHBondContact O-N 3.48Å; H477-V479 VanDerWaalsContact C-N 3.35Å; H477-V479 PolarHBondContact O-N 2.95Å; V479-C481 VanDerWaalsContact C-N 3.35Å; V479-C481 PolarHBondContact O-N 3.2Å; V479-H482 PolarHBondContact O-N 2.87Å |
| 480 | C | 48.9 | Very low | 53.5 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 61% | 0.608 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.6 | -38.7 | 176.9 | -73.9 | 0 | 0 | 0 | 0 | 112.7 | H476 H477 H482 H483 | H476-C480 WeakPolarHBondContact O-CB 3.43Å; H476-C480 PolarHBondContact O-N 2.88Å; H476-C480 PolarHBondContact O-SG 3.19Å; H476-C480 VanDerWaalsContact O-SG 3.4Å; H477-C480 PolarHBondContact O-N 2.66Å; C480-H482 PolarHBondContact O-N 3.41Å; C480-H482 VanDerWaalsContact O-N 3.09Å; C480-H483 PolarHBondContact O-N 3.17Å; C480-H483 VanDerWaalsContact O-N 3.07Å |
| 481 | C | 47.6 | Very low | 51.6 | Low | 89 Ų | 89 | 121.1 Ų | 121.1 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -10.5 | 178.5 | -71.9 | 0 | 0 | 0 | 0 | 114.8 | H477 V479 | H477-C481 PolarHBondContact O-N 3.4Å; H477-C481 PolarHBondContact O-SG 3.22Å; V479-C481 VanDerWaalsContact C-N 3.35Å; V479-C481 PolarHBondContact O-N 3.2Å |
| 482 | H | 47.8 | Very low | 49.9 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -2.9 | 173.5 | -71.8 | -58.8 | 0 | 0 | 0 | 114.5 | H478 V479 C480 | H478-H482 AromaticContact ND1-NE2 3.69Å; H478-H482 PolarHBondContact O-CD2 2.94Å; V479-H482 PolarHBondContact O-N 2.87Å; C480-H482 PolarHBondContact O-N 3.41Å; C480-H482 VanDerWaalsContact O-N 3.09Å |
| 483 | H | 43.8 | Very low | 48.5 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -132.6 | 58.6 | 178.4 | -82.9 | 80 | 0 | 0 | 0 | 112.3 | C480 | C480-H483 PolarHBondContact O-N 3.17Å; C480-H483 VanDerWaalsContact O-N 3.07Å |
| 484 | G | 37.6 | Very low | 47.4 | Very low | 59 Ų | 59 | 129 Ų | 129 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 176.7 | 126.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T486 | G484-T486 PolarHBondContact O-N 3.26Å; G484-T486 VanDerWaalsContact O-N 3.17Å |
| 485 | A | 45.6 | Very low | 46.2 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -82.2 | 91.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 486 | T | 45.2 | Very low | 45 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | trans | -166.9 | 121.8 | 152.9 | 3.5 | 0 | 0 | 0 | 0 | 111 | G484 W488 | G484-T486 PolarHBondContact O-N 3.26Å; G484-T486 VanDerWaalsContact O-N 3.17Å; T486-W488 PolarHBondContact O-N 3.15Å | ||
| 487 | P | 43.8 | Very low | 45 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | trans | -78.9 | 100.9 | 176.8 | 31 | -32.5 | 0 | 0 | 0 | 110.8 | ||||
| 488 | W | 41.3 | Very low | 44.8 | Very low | 236 Ų | 236 | 132.2 Ų | 132.2 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | trans | -78.5 | 121 | 164.8 | -79.4 | 83.4 | 0 | 0 | 0 | 109.6 | T486 C490 | T486-W488 PolarHBondContact O-N 3.15Å; W488-C490 PolarHBondContact O-N 3.23Å | ||
| 489 | H | 39.8 | Very low | 44.2 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -69.9 | 124.7 | -179 | -71.9 | -86.3 | 0 | 0 | 0 | 111.5 | ||||
| 490 | C | 37.3 | Very low | 44.4 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -93 | 115.3 | 172.9 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | W488 T492 | W488-C490 PolarHBondContact O-N 3.23Å; C490-T492 VanDerWaalsContact C-N 3.28Å; C490-T492 PolarHBondContact O-N 2.9Å; C490-T492 PolarHBondContact SG-OG1 3.36Å; C490-T492 VanDerWaalsContact SG-OG1 3.39Å | ||
| 491 | S | 42.3 | Very low | 44.2 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 4.4 | -166.2 | -48.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 492 | T | 43.2 | Very low | 44 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -6.5 | -169.7 | 36.9 | 0 | 0 | 0 | 0 | 115.6 | C490 H494 | C490-T492 VanDerWaalsContact C-N 3.28Å; C490-T492 PolarHBondContact O-N 2.9Å; C490-T492 PolarHBondContact SG-OG1 3.36Å; C490-T492 VanDerWaalsContact SG-OG1 3.39Å; T492-H494 PolarHBondContact O-N 3.23Å |
| 493 | H | 44.8 | Very low | 43.8 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -102.4 | 57.2 | 179.9 | -71.4 | -67.9 | 0 | 0 | 0 | 113.9 | ||||
| 494 | H | 44.3 | Very low | 43.8 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -131.5 | 97.3 | 166 | -85.7 | -10.4 | 0 | 0 | 0 | 111.2 | T492 | T492-H494 PolarHBondContact O-N 3.23Š| ||
| 495 | S | 42.1 | Very low | 44.2 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | 168.2 | 106.8 | 143.2 | -80 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 496 | L | 35.5 | Very low | 44.1 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | trans | -179.3 | 102 | 145.4 | -104.8 | 163.8 | 0 | 0 | 0 | 109.3 | ||||
| 497 | P | 54.2 | Low | 44.1 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | -78.6 | 134.9 | 173.2 | 31.4 | -31.9 | 0 | 0 | 0 | 110.9 | ||||
| 498 | L | 51.9 | Low | 44.1 | Very low | 174 Ų | 174 | 154 Ų | 154 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -74.4 | 138 | 168.7 | -74.7 | 163.7 | 0 | 0 | 0 | 110.4 | ||||
| 499 | L | 42.2 | Very low | 44.3 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | trans | -166.3 | 138.2 | 177 | -112.5 | 171.8 | 0 | 0 | 0 | 110.6 | ||||
| 500 | P | 53.9 | Low | 44.7 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 100% | 1.26 | 83% | 0.833 | S | S | * | * | cis | -98.4 | 0 | -50 | 21.8 | -4.6 | 0 | 0 | 0 | 112.2 |
Retrieved 500 of 500 residues in 1306.2 ms
(Link to these results)