| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.6 | Very low | 52.5 | Low | 236 Ų | 236 | 141.2 Ų | 141.2 | 100% | 1.163 | 74% | 0.735 | S | S | * | * | 0 | 111.5 | 0 | -72.5 | -171.8 | 74.6 | 0 | 0 | 107.6 | |||||
| 2 | T | 47.7 | Very low | 54.4 | Low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | 179 | 132 | 160.4 | 26.3 | 0 | 0 | 0 | 0 | 104 | E4 | T2-E4 PolarHBondContact O-N 3.09Š| ||
| 3 | E | 45 | Very low | 56.3 | Low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -54 | 138.5 | -169.6 | -71.4 | 103.2 | 159.4 | 0 | 0 | 113.3 | T5 | E3-T5 PolarHBondContact O-N 3.12Š| ||
| 4 | E | 47.3 | Very low | 58.1 | Low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -59.3 | 93.6 | 148.3 | -69.7 | 172.3 | 135.7 | 0 | 0 | 106.6 | T2 V6 | T2-E4 PolarHBondContact O-N 3.09Å; E4-V6 HydrophobicContact CB-CG2 4.27Å; E4-V6 PolarHBondContact O-N 2.91Å | ||
| 5 | T | 50.1 | Low | 59.6 | Low | 118 Ų | 118 | 140.5 Ų | 140.5 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | -64.1 | 85.9 | 153.3 | 49.9 | 0 | 0 | 0 | 0 | 105.9 | E3 V7 | E3-T5 PolarHBondContact O-N 3.12Å; T5-V7 PolarHBondContact O-N 3.49Å | ||
| 6 | V | 50.1 | Low | 61.1 | Low | 108 Ų | 108 | 141.9 Ų | 141.9 | 66% | 0.655 | 70% | 0.699 | S | S | * | * | trans | -60.1 | 91.8 | 159.4 | -178.2 | 0 | 0 | 0 | 0 | 104.4 | E4 E8 | E4-V6 HydrophobicContact CB-CG2 4.27Å; E4-V6 PolarHBondContact O-N 2.91Å; V6-E8 HydrophobicContact CG1-CG 3.99Å; V6-E8 PolarHBondContact O-N 3.32Å | ||
| 7 | V | 50.8 | Low | 62.6 | Low | 114 Ų | 114 | 135.6 Ų | 135.6 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | trans | -66.2 | 86.7 | 158.5 | -178.4 | 0 | 0 | 0 | 0 | 103.2 | T5 E9 | T5-V7 PolarHBondContact O-N 3.49Å; V7-E9 VanDerWaalsContact C-N 3.33Å; V7-E9 PolarHBondContact O-N 3.18Å | ||
| 8 | E | 55.5 | Low | 63.9 | Low | 153 Ų | 153 | 132.8 Ų | 132.8 | 72% | 0.715 | 67% | 0.67 | S | S | * | * | trans | -50.9 | 112.3 | 157 | -69.6 | -174.3 | 149 | 0 | 0 | 104.1 | V6 I10 | V6-E8 HydrophobicContact CG1-CG 3.99Å; V6-E8 PolarHBondContact O-N 3.32Å; E8-I10 PolarHBondContact O-N 3.49Å | ||
| 9 | E | 55 | Low | 65.1 | Low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | trans | -62.7 | 91.6 | 170.2 | -80 | -171.8 | 139.1 | 0 | 0 | 105.5 | V7 N11 | V7-E9 VanDerWaalsContact C-N 3.33Å; V7-E9 PolarHBondContact O-N 3.18Å; E9-N11 VanDerWaalsContact C-N 3.32Å; E9-N11 PolarHBondContact O-N 2.92Å | ||
| 10 | I | 61.3 | Low | 66.4 | Low | 68 Ų | 68 | 126.7 Ų | 126.7 | 35% | 0.349 | 64% | 0.642 | S | S | . | * | trans | -57.9 | 104.9 | 174.8 | -73.2 | 170.6 | 0 | 0 | 0 | 104.9 | E8 Y12 Q15 | E8-I10 PolarHBondContact O-N 3.49Å; I10-Y12 HydrophobicContact CB-CE1 4.39Å; I10-Y12 HydrophobicContact CB-CE2 4.27Å; I10-Y12 HydrophobicContact CG2-CD1 3.74Å; I10-Y12 HydrophobicContact CG2-CD2 4.3Å; I10-Y12 HydrophobicContact CG2-CE1 3.67Å; I10-Y12 HydrophobicContact CG2-CE2 4.25Å; I10-Y12 HydrophobicContact CG2-CG 4.06Å; I10-Y12 WeakPolarHBondContact O-CD2 3.36Å; I10-Y12 PolarHBondContact O-N 3.39Å; I10-Q15 HydrophobicContact CG2-CG 4.16Å | ||
| 11 | N | 75 | Confident | 67.5 | Low | 79 Ų | 79 | 125.7 Ų | 125.7 | 42% | 0.422 | 64% | 0.635 | S | S | . | * | trans | -68 | 86 | 174.1 | -176.2 | -0.5 | 0 | 0 | 0 | 106.9 | E9 E13 E14 Q15 | E9-N11 VanDerWaalsContact C-N 3.32Å; E9-N11 PolarHBondContact O-N 2.92Å; N11-E13 PolarHBondContact O-N 2.93Å; N11-E14 HydrophobicContact CB-CB 3.93Å; N11-E14 VanDerWaalsContact CG-CB 3.46Å; N11-E14 VanDerWaalsContact ND2-CB 3.25Å; N11-E14 WeakPolarHBondContact ND2-CB 3.49Å; N11-E14 PolarHBondContact ND2-OE2 3.42Å; N11-E14 PolarHBondContact O-N 3.37Å; N11-E14 PolarHBondContact OD1-N 3.38Å; N11-Q15 PolarHBondContact O-N 2.72Å | ||
| 12 | Y | 75.6 | Confident | 69.9 | Low | 170 Ų | 170 | 119.6 Ų | 119.6 | 67% | 0.667 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.1 | -34.8 | -174.9 | -71.9 | -75.8 | 0 | 0 | 0 | 110.9 | I10 E14 Y16 | I10-Y12 HydrophobicContact CB-CE1 4.39Å; I10-Y12 HydrophobicContact CB-CE2 4.27Å; I10-Y12 HydrophobicContact CG2-CD1 3.74Å; I10-Y12 HydrophobicContact CG2-CD2 4.3Å; I10-Y12 HydrophobicContact CG2-CE1 3.67Å; I10-Y12 HydrophobicContact CG2-CE2 4.25Å; I10-Y12 HydrophobicContact CG2-CG 4.06Å; I10-Y12 WeakPolarHBondContact O-CD2 3.36Å; I10-Y12 PolarHBondContact O-N 3.39Å; Y12-E14 PolarHBondContact O-N 3.12Å; Y12-Y16 WeakPolarHBondContact O-CB 3.42Å; Y12-Y16 PolarHBondContact O-N 2.7Å |
| 13 | E | 79.5 | Confident | 72 | Confident | 160 Ų | 160 | 117.1 Ų | 117.1 | 75% | 0.748 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -56.4 | -45.4 | 169.9 | -105.6 | 70.2 | -152.4 | 0 | 0 | 112.8 | N11 G17 | N11-E13 PolarHBondContact O-N 2.93Å; E13-G17 PolarHBondContact O-N 2.76Å |
| 14 | E | 81.1 | Confident | 74.3 | Confident | 125 Ų | 125 | 113.7 Ų | 113.7 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -76.1 | -41.9 | -177.8 | -176.5 | 169.1 | -157.5 | 0 | 0 | 112.2 | N11 Y12 Y16 G17 V18 | N11-E14 HydrophobicContact CB-CB 3.93Å; N11-E14 VanDerWaalsContact CG-CB 3.46Å; N11-E14 VanDerWaalsContact ND2-CB 3.25Å; N11-E14 WeakPolarHBondContact ND2-CB 3.49Å; N11-E14 PolarHBondContact ND2-OE2 3.42Å; N11-E14 PolarHBondContact O-N 3.37Å; N11-E14 PolarHBondContact OD1-N 3.38Å; Y12-E14 PolarHBondContact O-N 3.12Å; E14-Y16 VanDerWaalsContact C-N 3.3Å; E14-Y16 PolarHBondContact O-N 3.32Å; E14-G17 PolarHBondContact O-N 3.22Å; E14-V18 WeakPolarHBondContact O-CG2 3.39Å; E14-V18 PolarHBondContact O-N 3.06Å |
| 15 | Q | 81.2 | Confident | 76.5 | Confident | 99 Ų | 99 | 111.5 Ų | 111.5 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.3 | -40.6 | 169.9 | -75 | -165.1 | -3.2 | 0 | 0 | 111.7 | I10 N11 V18 L19 | I10-Q15 HydrophobicContact CG2-CG 4.16Å; N11-Q15 PolarHBondContact O-N 2.72Å; Q15-V18 PolarHBondContact O-N 2.86Å; Q15-L19 WeakPolarHBondContact O-CB 3.36Å; Q15-L19 VanDerWaalsContact O-CG 3.29Å; Q15-L19 WeakPolarHBondContact O-CG 3.1Å; Q15-L19 PolarHBondContact O-N 2.89Å |
| 16 | Y | 83.3 | Confident | 78.6 | Confident | 164 Ų | 164 | 110.4 Ų | 110.4 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.1 | -39.7 | 175.4 | -164.7 | -90.7 | 0 | 0 | 0 | 111.3 | Y12 E14 L19 V20 | Y12-Y16 WeakPolarHBondContact O-CB 3.42Å; Y12-Y16 PolarHBondContact O-N 2.7Å; E14-Y16 VanDerWaalsContact C-N 3.3Å; E14-Y16 PolarHBondContact O-N 3.32Å; Y16-L19 PolarHBondContact O-N 3.4Å; Y16-V20 HydrophobicContact CD1-CG2 3.77Å; Y16-V20 HydrophobicContact CE1-CG2 3.61Å; Y16-V20 WeakPolarHBondContact O-CB 3.47Å; Y16-V20 VanDerWaalsContact O-CG2 3.22Å; Y16-V20 WeakPolarHBondContact O-CG2 3.3Å; Y16-V20 PolarHBondContact O-N 2.99Å |
| 17 | G | 85.5 | Confident | 80.7 | Confident | 34 Ų | 34 | 111.8 Ų | 111.8 | 35% | 0.351 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E13 E14 V20 E21 | E13-G17 PolarHBondContact O-N 2.76Å; E14-G17 PolarHBondContact O-N 3.22Å; G17-V20 PolarHBondContact O-N 2.88Å; G17-E21 PolarHBondContact O-N 2.88Å |
| 18 | V | 86 | Confident | 82.7 | Confident | 85 Ų | 85 | 111.5 Ų | 111.5 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 175 | 172.6 | 0 | 0 | 0 | 0 | 111 | E14 Q15 V20 E21 E22 | E14-V18 WeakPolarHBondContact O-CG2 3.39Å; E14-V18 PolarHBondContact O-N 3.06Å; Q15-V18 PolarHBondContact O-N 2.86Å; V18-V20 VanDerWaalsContact C-N 3.28Å; V18-V20 PolarHBondContact O-N 2.79Å; V18-E21 PolarHBondContact O-N 3.04Å; V18-E22 PolarHBondContact O-N 3.46Å |
| 19 | L | 87.8 | Confident | 84.6 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -31.2 | 177.8 | -75.1 | 169.2 | 0 | 0 | 0 | 113.2 | Q15 Y16 N23 | Q15-L19 WeakPolarHBondContact O-CB 3.36Å; Q15-L19 VanDerWaalsContact O-CG 3.29Å; Q15-L19 WeakPolarHBondContact O-CG 3.1Å; Q15-L19 PolarHBondContact O-N 2.89Å; Y16-L19 PolarHBondContact O-N 3.4Å; L19-N23 VanDerWaalsContact O-CB 3.29Å; L19-N23 WeakPolarHBondContact O-CB 3.48Å; L19-N23 PolarHBondContact O-N 2.9Å; L19-N23 PolarHBondContact O-ND2 3.05Å |
| 20 | V | 90.6 | Very high | 86.5 | Confident | 53 Ų | 53 | 103 Ų | 103 | 32% | 0.321 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.2 | -43 | 174.6 | 164 | 0 | 0 | 0 | 0 | 111.1 | Y16 G17 V18 N23 K24 | Y16-V20 HydrophobicContact CD1-CG2 3.77Å; Y16-V20 HydrophobicContact CE1-CG2 3.61Å; Y16-V20 WeakPolarHBondContact O-CB 3.47Å; Y16-V20 VanDerWaalsContact O-CG2 3.22Å; Y16-V20 WeakPolarHBondContact O-CG2 3.3Å; Y16-V20 PolarHBondContact O-N 2.99Å; G17-V20 PolarHBondContact O-N 2.88Å; V18-V20 VanDerWaalsContact C-N 3.28Å; V18-V20 PolarHBondContact O-N 2.79Å; V20-N23 PolarHBondContact O-N 3.42Å; V20-K24 HydrophobicContact CG1-CD 4.43Å; V20-K24 WeakPolarHBondContact O-CG 3.43Å; V20-K24 PolarHBondContact O-N 3.36Å |
| 21 | E | 89.6 | Confident | 88 | Confident | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.5 | -37.8 | 175 | -70.4 | -54.2 | 146.4 | 0 | 0 | 112.6 | G17 V18 N23 K24 K25 | G17-E21 PolarHBondContact O-N 2.88Å; V18-E21 PolarHBondContact O-N 3.04Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N23 PolarHBondContact O-N 3.06Å; E21-K24 PolarHBondContact O-N 3.46Å; E21-K24 WeakPolarHBondContact OE1-CD 3.38Å; E21-K24 IonicContact OE1-NZ 2.8Å; E21-K24 PolarHBondContact OE1-NZ 3.22Å; E21-K24 WeakPolarHBondContact OE2-CD 3.45Å; E21-K24 IonicContact OE2-NZ 2.87Å; E21-K25 WeakPolarHBondContact O-CB 3.48Å; E21-K25 PolarHBondContact O-N 2.85Å |
| 22 | E | 90.2 | Very high | 88.9 | Confident | 109 Ų | 109 | 101.9 Ų | 101.9 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 168.5 | -78.3 | -159.7 | 132 | 0 | 0 | 111.6 | V18 K24 K25 L26 | V18-E22 PolarHBondContact O-N 3.46Å; E22-K24 PolarHBondContact O-N 3.39Å; E22-K25 PolarHBondContact O-N 3.14Å; E22-L26 WeakPolarHBondContact O-CB 3.41Å; E22-L26 VanDerWaalsContact O-CG 3.27Å; E22-L26 WeakPolarHBondContact O-CG 3.43Å; E22-L26 PolarHBondContact O-N 3.26Å |
| 23 | N | 92.1 | Very high | 89.8 | Confident | 84 Ų | 84 | 99.1 Ų | 99.1 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 174.5 | -98.5 | -88.1 | 0 | 0 | 0 | 112.9 | L19 V20 E21 K27 | L19-N23 VanDerWaalsContact O-CB 3.29Å; L19-N23 WeakPolarHBondContact O-CB 3.48Å; L19-N23 PolarHBondContact O-N 2.9Å; L19-N23 PolarHBondContact O-ND2 3.05Å; V20-N23 PolarHBondContact O-N 3.42Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N23 PolarHBondContact O-N 3.06Å; N23-K27 WeakPolarHBondContact O-CB 3.39Å; N23-K27 VanDerWaalsContact O-CG 3.27Å; N23-K27 WeakPolarHBondContact O-CG 3.09Å; N23-K27 PolarHBondContact O-N 3.34Å |
| 24 | K | 93.2 | Very high | 90.6 | Very high | 101 Ų | 101 | 96.8 Ų | 96.8 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 173.7 | -74.7 | 166.1 | 178 | 178.2 | 0 | 110.6 | V20 E21 E22 K27 I28 | V20-K24 HydrophobicContact CG1-CD 4.43Å; V20-K24 WeakPolarHBondContact O-CG 3.43Å; V20-K24 PolarHBondContact O-N 3.36Å; E21-K24 PolarHBondContact O-N 3.46Å; E21-K24 WeakPolarHBondContact OE1-CD 3.38Å; E21-K24 IonicContact OE1-NZ 2.8Å; E21-K24 PolarHBondContact OE1-NZ 3.22Å; E21-K24 WeakPolarHBondContact OE2-CD 3.45Å; E21-K24 IonicContact OE2-NZ 2.87Å; E22-K24 PolarHBondContact O-N 3.39Å; K24-K27 PolarHBondContact O-N 2.87Å; K24-I28 WeakPolarHBondContact O-CG1 3.35Å; K24-I28 PolarHBondContact O-N 2.83Å |
| 25 | K | 93.8 | Very high | 91.1 | Very high | 137 Ų | 137 | 96.3 Ų | 96.3 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.5 | -50.8 | 176.7 | -171.7 | -177 | 177.1 | -171.7 | 0 | 111.5 | E21 E22 K27 I28 D29 | E21-K25 WeakPolarHBondContact O-CB 3.48Å; E21-K25 PolarHBondContact O-N 2.85Å; E22-K25 PolarHBondContact O-N 3.14Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K25-K27 PolarHBondContact O-N 2.81Å; K25-I28 CarbonylContact O-C 3.6Å; K25-I28 WeakPolarHBondContact O-CA 3.25Å; K25-I28 WeakPolarHBondContact O-CB 3.27Å; K25-I28 PolarHBondContact O-N 3.22Å; K25-D29 PolarHBondContact O-N 2.66Å |
| 26 | L | 93.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 94.4 Ų | 94.4 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 175.5 | -73.3 | 169.5 | 0 | 0 | 0 | 112.3 | E22 D29 I30 | E22-L26 WeakPolarHBondContact O-CB 3.41Å; E22-L26 VanDerWaalsContact O-CG 3.27Å; E22-L26 WeakPolarHBondContact O-CG 3.43Å; E22-L26 PolarHBondContact O-N 3.26Å; L26-D29 PolarHBondContact O-N 2.88Å; L26-I30 VanDerWaalsContact O-CB 3.28Å; L26-I30 WeakPolarHBondContact O-CB 3.37Å; L26-I30 WeakPolarHBondContact O-CD1 3.32Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 3.23Å |
| 27 | K | 94 | Very high | 92.3 | Very high | 137 Ų | 137 | 91.4 Ų | 91.4 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -39.3 | 173.2 | -79.6 | 173.2 | -179.4 | 175.3 | 0 | 112.5 | N23 K24 K25 S31 | N23-K27 WeakPolarHBondContact O-CB 3.39Å; N23-K27 VanDerWaalsContact O-CG 3.27Å; N23-K27 WeakPolarHBondContact O-CG 3.09Å; N23-K27 PolarHBondContact O-N 3.34Å; K24-K27 PolarHBondContact O-N 2.87Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K25-K27 PolarHBondContact O-N 2.81Å; K27-S31 VanDerWaalsContact O-CB 3.31Å; K27-S31 WeakPolarHBondContact O-CB 3.43Å; K27-S31 PolarHBondContact O-N 2.96Å; K27-S31 PolarHBondContact O-OG 3.02Å |
| 28 | I | 93.2 | Very high | 92.8 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 55% | 0.549 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 175.6 | -67.9 | 162.8 | 0 | 0 | 0 | 110.4 | K24 K25 S31 S32 | K24-I28 WeakPolarHBondContact O-CG1 3.35Å; K24-I28 PolarHBondContact O-N 2.83Å; K25-I28 CarbonylContact O-C 3.6Å; K25-I28 WeakPolarHBondContact O-CA 3.25Å; K25-I28 WeakPolarHBondContact O-CB 3.27Å; K25-I28 PolarHBondContact O-N 3.22Å; I28-S31 PolarHBondContact O-N 3.4Å; I28-S32 WeakPolarHBondContact O-CB 3.4Å; I28-S32 PolarHBondContact O-N 3.43Å; I28-S32 PolarHBondContact O-OG 2.98Å |
| 29 | D | 94.6 | Very high | 93.2 | Very high | 73 Ų | 73 | 97.6 Ų | 97.6 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 178.4 | -68.3 | -22.4 | 0 | 0 | 0 | 111.1 | K25 L26 S31 S32 L33 | K25-D29 PolarHBondContact O-N 2.66Å; L26-D29 PolarHBondContact O-N 2.88Å; D29-S31 PolarHBondContact O-N 3.49Å; D29-S32 PolarHBondContact O-N 3.16Å; D29-L33 WeakPolarHBondContact O-CB 3.35Å; D29-L33 WeakPolarHBondContact O-CG 3.44Å; D29-L33 PolarHBondContact O-N 2.83Å |
| 30 | I | 94.7 | Very high | 93.6 | Very high | 88 Ų | 88 | 96.9 Ų | 96.9 | 45% | 0.451 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 173.5 | -72 | 164.7 | 0 | 0 | 0 | 110.9 | L26 S32 L33 Q34 | L26-I30 VanDerWaalsContact O-CB 3.28Å; L26-I30 WeakPolarHBondContact O-CB 3.37Å; L26-I30 WeakPolarHBondContact O-CD1 3.32Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 3.23Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 2.79Å; I30-L33 PolarHBondContact O-N 2.99Å; I30-Q34 HydrophobicContact CG2-CG 4.42Å; I30-Q34 WeakPolarHBondContact O-CB 3.43Å; I30-Q34 VanDerWaalsContact O-CG 3.24Å; I30-Q34 WeakPolarHBondContact O-CG 3.32Å; I30-Q34 PolarHBondContact O-N 3.25Å |
| 31 | S | 94.3 | Very high | 93.8 | Very high | 59 Ų | 59 | 98.9 Ų | 98.9 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | K27 I28 D29 Q34 L35 | K27-S31 VanDerWaalsContact O-CB 3.31Å; K27-S31 WeakPolarHBondContact O-CB 3.43Å; K27-S31 PolarHBondContact O-N 2.96Å; K27-S31 PolarHBondContact O-OG 3.02Å; I28-S31 PolarHBondContact O-N 3.4Å; D29-S31 PolarHBondContact O-N 3.49Å; S31-Q34 PolarHBondContact O-N 2.92Å; S31-L35 WeakPolarHBondContact O-CG 3.42Å; S31-L35 PolarHBondContact O-N 3.44Å |
| 32 | S | 94.3 | Very high | 94 | Very high | 63 Ų | 63 | 98.3 Ų | 98.3 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 177.9 | -57 | 0 | 0 | 0 | 0 | 111.8 | I28 D29 I30 L35 S36 | I28-S32 WeakPolarHBondContact O-CB 3.4Å; I28-S32 PolarHBondContact O-N 3.43Å; I28-S32 PolarHBondContact O-OG 2.98Å; D29-S32 PolarHBondContact O-N 3.16Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 2.79Å; S32-L35 PolarHBondContact O-N 3.41Å; S32-S36 WeakPolarHBondContact O-CB 3.27Å; S32-S36 PolarHBondContact O-N 3.38Å |
| 33 | L | 94.5 | Very high | 94.3 | Very high | 113 Ų | 113 | 97.6 Ų | 97.6 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | 172.5 | -73.4 | 171.7 | 0 | 0 | 0 | 112.1 | D29 I30 S36 N37 | D29-L33 WeakPolarHBondContact O-CB 3.35Å; D29-L33 WeakPolarHBondContact O-CG 3.44Å; D29-L33 PolarHBondContact O-N 2.83Å; I30-L33 PolarHBondContact O-N 2.99Å; L33-S36 PolarHBondContact O-N 3.25Å; L33-N37 WeakPolarHBondContact O-CB 3.19Å; L33-N37 PolarHBondContact O-N 2.89Å |
| 34 | Q | 94.4 | Very high | 94.4 | Very high | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 174.8 | -75.8 | 176 | 5.6 | 0 | 0 | 112.2 | I30 S31 R38 | I30-Q34 HydrophobicContact CG2-CG 4.42Å; I30-Q34 WeakPolarHBondContact O-CB 3.43Å; I30-Q34 VanDerWaalsContact O-CG 3.24Å; I30-Q34 WeakPolarHBondContact O-CG 3.32Å; I30-Q34 PolarHBondContact O-N 3.25Å; S31-Q34 PolarHBondContact O-N 2.92Å; Q34-R38 WeakPolarHBondContact O-CB 3.45Å; Q34-R38 WeakPolarHBondContact O-CG 3.34Å; Q34-R38 PolarHBondContact O-N 3.43Å |
| 35 | L | 93.5 | Very high | 94.5 | Very high | 115 Ų | 115 | 102.5 Ų | 102.5 | 60% | 0.602 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 173.5 | -72.1 | 169.3 | 0 | 0 | 0 | 111.5 | S31 S32 R38 S39 | S31-L35 WeakPolarHBondContact O-CG 3.42Å; S31-L35 PolarHBondContact O-N 3.44Å; S32-L35 PolarHBondContact O-N 3.41Å; L35-R38 PolarHBondContact O-N 3.1Å; L35-S39 PolarHBondContact O-N 3.09Å |
| 36 | S | 94.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 100.4 Ų | 100.4 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | S32 L33 R38 S39 L40 | S32-S36 WeakPolarHBondContact O-CB 3.27Å; S32-S36 PolarHBondContact O-N 3.38Å; L33-S36 PolarHBondContact O-N 3.25Å; S36-R38 PolarHBondContact O-N 3.27Å; S36-S39 WeakPolarHBondContact O-CA 3.41Å; S36-S39 WeakPolarHBondContact O-CB 3.38Å; S36-S39 PolarHBondContact O-N 3.48Å; S36-S39 VanDerWaalsContact O-N 3.11Å; S36-L40 PolarHBondContact O-N 2.85Å |
| 37 | N | 95.2 | Very high | 94.7 | Very high | 101 Ų | 101 | 100 Ų | 100 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 174.7 | -89.9 | -23.7 | 0 | 0 | 0 | 112.5 | L33 S39 L40 V41 | L33-N37 WeakPolarHBondContact O-CB 3.19Å; L33-N37 PolarHBondContact O-N 2.89Å; N37-S39 VanDerWaalsContact C-N 3.33Å; N37-S39 PolarHBondContact O-N 2.97Å; N37-L40 PolarHBondContact O-N 3.33Å; N37-V41 WeakPolarHBondContact O-CB 3.45Å; N37-V41 VanDerWaalsContact O-CG2 3.25Å; N37-V41 WeakPolarHBondContact O-CG2 3.39Å; N37-V41 PolarHBondContact O-N 3.47Å |
| 38 | R | 95 | Very high | 94.8 | Very high | 175 Ų | 175 | 101.3 Ų | 101.3 | 66% | 0.66 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -40.7 | 173.1 | -77.4 | 177.4 | 178.8 | -173.9 | 1.9 | 111.8 | Q34 L35 S36 N42 | Q34-R38 WeakPolarHBondContact O-CB 3.45Å; Q34-R38 WeakPolarHBondContact O-CG 3.34Å; Q34-R38 PolarHBondContact O-N 3.43Å; L35-R38 PolarHBondContact O-N 3.1Å; S36-R38 PolarHBondContact O-N 3.27Å; R38-N42 WeakPolarHBondContact O-CB 3.5Å; R38-N42 VanDerWaalsContact O-CG 3.28Å; R38-N42 PolarHBondContact O-N 2.87Å; R38-N42 PolarHBondContact O-ND2 2.81Å |
| 39 | S | 94.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 102.2 Ų | 102.2 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 175.5 | -169.8 | 0 | 0 | 0 | 0 | 111.5 | L35 S36 N37 V41 N42 Q43 | L35-S39 PolarHBondContact O-N 3.09Å; S36-S39 WeakPolarHBondContact O-CA 3.41Å; S36-S39 WeakPolarHBondContact O-CB 3.38Å; S36-S39 PolarHBondContact O-N 3.48Å; S36-S39 VanDerWaalsContact O-N 3.11Å; N37-S39 VanDerWaalsContact C-N 3.33Å; N37-S39 PolarHBondContact O-N 2.97Å; S39-V41 PolarHBondContact O-N 3.38Å; S39-N42 PolarHBondContact O-N 2.91Å; S39-Q43 WeakPolarHBondContact O-CB 3.4Å; S39-Q43 PolarHBondContact O-N 3.1Å |
| 40 | L | 95.4 | Very high | 95 | Very high | 76 Ų | 76 | 105.1 Ų | 105.1 | 40% | 0.398 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 176.7 | -74.7 | 169.3 | 0 | 0 | 0 | 112.9 | S36 N37 Q43 N44 | S36-L40 PolarHBondContact O-N 2.85Å; N37-L40 PolarHBondContact O-N 3.33Å; L40-Q43 PolarHBondContact O-N 3.14Å; L40-N44 WeakPolarHBondContact O-CB 3.36Å; L40-N44 PolarHBondContact O-N 3.45Å; L40-N44 PolarHBondContact O-ND2 2.8Å |
| 41 | V | 95.2 | Very high | 95.1 | Very high | 95 Ų | 95 | 104.5 Ų | 104.5 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 176.1 | 167.1 | 0 | 0 | 0 | 0 | 111.2 | N37 S39 R45 | N37-V41 WeakPolarHBondContact O-CB 3.45Å; N37-V41 VanDerWaalsContact O-CG2 3.25Å; N37-V41 WeakPolarHBondContact O-CG2 3.39Å; N37-V41 PolarHBondContact O-N 3.47Å; S39-V41 PolarHBondContact O-N 3.38Å; V41-R45 WeakPolarHBondContact O-CB 3.41Å; V41-R45 PolarHBondContact O-N 3.47Å |
| 42 | N | 94.5 | Very high | 95.1 | Very high | 92 Ų | 92 | 106.9 Ų | 106.9 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 174.8 | -71.7 | -18.7 | 0 | 0 | 0 | 111.4 | R38 S39 N44 R45 D46 | R38-N42 WeakPolarHBondContact O-CB 3.5Å; R38-N42 VanDerWaalsContact O-CG 3.28Å; R38-N42 PolarHBondContact O-N 2.87Å; R38-N42 PolarHBondContact O-ND2 2.81Å; S39-N42 PolarHBondContact O-N 2.91Å; N42-N44 PolarHBondContact O-N 2.95Å; N42-R45 WeakPolarHBondContact O-CB 3.25Å; N42-R45 PolarHBondContact O-N 3.21Å; N42-R45 VanDerWaalsContact O-N 3.11Å; N42-D46 PolarHBondContact O-N 3.04Å |
| 43 | Q | 95.3 | Very high | 95.2 | Very high | 95 Ų | 95 | 106.8 Ų | 106.8 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 175.6 | -179.6 | 179.8 | -12 | 0 | 0 | 111.7 | S39 L40 R45 D46 E47 | S39-Q43 WeakPolarHBondContact O-CB 3.4Å; S39-Q43 PolarHBondContact O-N 3.1Å; L40-Q43 PolarHBondContact O-N 3.14Å; Q43-R45 PolarHBondContact O-N 3.08Å; Q43-D46 PolarHBondContact O-N 3.21Å; Q43-D46 VanDerWaalsContact O-N 3.16Å; Q43-E47 HydrophobicContact CG-CG 4.42Å; Q43-E47 VanDerWaalsContact CG-OE1 3.29Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.45Å; Q43-E47 PolarHBondContact NE2-OE1 2.89Å; Q43-E47 WeakPolarHBondContact O-CB 3.5Å; Q43-E47 WeakPolarHBondContact O-CG 3.43Å; Q43-E47 PolarHBondContact O-N 3.07Å |
| 44 | N | 96 | Very high | 95.3 | Very high | 100 Ų | 100 | 104.4 Ų | 104.4 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -34.6 | 175.8 | -85.2 | -75.1 | 0 | 0 | 0 | 112.4 | L40 N42 K48 | L40-N44 WeakPolarHBondContact O-CB 3.36Å; L40-N44 PolarHBondContact O-N 3.45Å; L40-N44 PolarHBondContact O-ND2 2.8Å; N42-N44 PolarHBondContact O-N 2.95Å; N44-K48 WeakPolarHBondContact O-CB 3.22Å; N44-K48 PolarHBondContact O-N 2.91Å |
| 45 | R | 95.2 | Very high | 95.4 | Very high | 187 Ų | 187 | 107.9 Ų | 107.9 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.4 | -42.7 | 176.1 | -174.4 | 179.5 | -177.6 | 170.6 | 0.9 | 111.7 | V41 N42 Q43 K48 K49 | V41-R45 WeakPolarHBondContact O-CB 3.41Å; V41-R45 PolarHBondContact O-N 3.47Å; N42-R45 WeakPolarHBondContact O-CB 3.25Å; N42-R45 PolarHBondContact O-N 3.21Å; N42-R45 VanDerWaalsContact O-N 3.11Å; Q43-R45 PolarHBondContact O-N 3.08Å; R45-K48 PolarHBondContact O-N 2.93Å; R45-K49 PolarHBondContact O-N 2.7Å |
| 46 | D | 95 | Very high | 95.4 | Very high | 94 Ų | 94 | 107.7 Ų | 107.7 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 177.7 | -70.8 | -21.1 | 0 | 0 | 0 | 112 | N42 Q43 K49 K50 | N42-D46 PolarHBondContact O-N 3.04Å; Q43-D46 PolarHBondContact O-N 3.21Å; Q43-D46 VanDerWaalsContact O-N 3.16Å; D46-K49 WeakPolarHBondContact O-CB 3.4Å; D46-K49 PolarHBondContact O-N 3.05Å; D46-K50 WeakPolarHBondContact O-CG 3.27Å; D46-K50 PolarHBondContact O-N 3.4Å |
| 47 | E | 95.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 110.6 Ų | 110.6 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 172.2 | -74 | 175.3 | -168.2 | 0 | 0 | 111.6 | Q43 K49 K50 V51 | Q43-E47 HydrophobicContact CG-CG 4.42Å; Q43-E47 VanDerWaalsContact CG-OE1 3.29Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.45Å; Q43-E47 PolarHBondContact NE2-OE1 2.89Å; Q43-E47 WeakPolarHBondContact O-CB 3.5Å; Q43-E47 WeakPolarHBondContact O-CG 3.43Å; Q43-E47 PolarHBondContact O-N 3.07Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 2.91Å; E47-K50 PolarHBondContact O-N 3.37Å; E47-V51 WeakPolarHBondContact O-CG2 3.5Å; E47-V51 PolarHBondContact O-N 3.42Å |
| 48 | K | 95.7 | Very high | 95.5 | Very high | 165 Ų | 165 | 110 Ų | 110 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -36.3 | 173.9 | -175.4 | 173.5 | -178.9 | 176.1 | 0 | 112.1 | N44 R45 M52 | N44-K48 WeakPolarHBondContact O-CB 3.22Å; N44-K48 PolarHBondContact O-N 2.91Å; R45-K48 PolarHBondContact O-N 2.93Å; K48-M52 PolarHBondContact O-N 2.87Å |
| 49 | K | 96.2 | Very high | 95.5 | Very high | 127 Ų | 127 | 104.4 Ų | 104.4 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -50.7 | 172.9 | -171.8 | -176.2 | 174.9 | -173.8 | 0 | 111.1 | R45 D46 E47 V51 M52 D53 | R45-K49 PolarHBondContact O-N 2.7Å; D46-K49 WeakPolarHBondContact O-CB 3.4Å; D46-K49 PolarHBondContact O-N 3.05Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 2.91Å; K49-V51 VanDerWaalsContact C-N 3.31Å; K49-V51 PolarHBondContact O-N 2.93Å; K49-M52 WeakPolarHBondContact O-CA 3.46Å; K49-M52 WeakPolarHBondContact O-CB 3.32Å; K49-M52 PolarHBondContact O-N 3.43Å; K49-D53 PolarHBondContact O-N 3.49Å |
| 50 | K | 96.5 | Very high | 95.5 | Very high | 133 Ų | 133 | 105 Ų | 105 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -54.5 | -44.5 | 175.5 | -69.7 | 167.8 | -175.1 | 172.7 | 0 | 112.1 | D46 E47 M52 D53 C54 | D46-K50 WeakPolarHBondContact O-CG 3.27Å; D46-K50 PolarHBondContact O-N 3.4Å; E47-K50 PolarHBondContact O-N 3.37Å; K50-M52 VanDerWaalsContact C-N 3.32Å; K50-M52 PolarHBondContact O-N 3.3Å; K50-D53 PolarHBondContact O-N 2.87Å; K50-C54 WeakPolarHBondContact O-CB 3.32Å; K50-C54 PolarHBondContact O-N 3.18Å; K50-C54 PolarHBondContact O-SG 3.17Å |
| 51 | V | 96.2 | Very high | 95.5 | Very high | 76 Ų | 76 | 106.1 Ų | 106.1 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | E47 K49 R55 | E47-V51 WeakPolarHBondContact O-CG2 3.5Å; E47-V51 PolarHBondContact O-N 3.42Å; K49-V51 VanDerWaalsContact C-N 3.31Å; K49-V51 PolarHBondContact O-N 2.93Å; V51-R55 VanDerWaalsContact O-CG 3.29Å; V51-R55 WeakPolarHBondContact O-CG 3.43Å; V51-R55 PolarHBondContact O-N 2.83Å |
| 52 | M | 95.6 | Very high | 95.5 | Very high | 109 Ų | 109 | 107 Ų | 107 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 175 | -167.9 | -176 | 79.2 | 0 | 0 | 111.6 | K48 K49 K50 C54 R55 L56 | K48-M52 PolarHBondContact O-N 2.87Å; K49-M52 WeakPolarHBondContact O-CA 3.46Å; K49-M52 WeakPolarHBondContact O-CB 3.32Å; K49-M52 PolarHBondContact O-N 3.43Å; K50-M52 VanDerWaalsContact C-N 3.32Å; K50-M52 PolarHBondContact O-N 3.3Å; M52-C54 PolarHBondContact O-N 2.92Å; M52-R55 PolarHBondContact O-N 3.49Å; M52-L56 PolarHBondContact O-N 3.28Å |
| 53 | D | 95.5 | Very high | 95.5 | Very high | 60 Ų | 60 | 104.6 Ų | 104.6 | 32% | 0.321 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.4 | -63.2 | -22.6 | 0 | 0 | 0 | 110.7 | K49 K50 R55 L56 Q57 | K49-D53 PolarHBondContact O-N 3.49Å; K50-D53 PolarHBondContact O-N 2.87Å; D53-R55 PolarHBondContact O-N 2.92Å; D53-L56 PolarHBondContact O-N 2.83Å; D53-Q57 WeakPolarHBondContact O-CG 3.37Å; D53-Q57 PolarHBondContact O-N 3.44Å |
| 54 | C | 96.6 | Very high | 95.5 | Very high | 64 Ų | 64 | 107.2 Ų | 107.2 | 43% | 0.432 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 172.9 | -69.5 | 0 | 0 | 0 | 0 | 112.8 | K50 M52 Q57 I58 | K50-C54 WeakPolarHBondContact O-CB 3.32Å; K50-C54 PolarHBondContact O-N 3.18Å; K50-C54 PolarHBondContact O-SG 3.17Å; M52-C54 PolarHBondContact O-N 2.92Å; C54-Q57 PolarHBondContact O-N 3.38Å; C54-I58 VanDerWaalsContact O-CG1 3.27Å; C54-I58 WeakPolarHBondContact O-CG1 3.46Å; C54-I58 PolarHBondContact O-N 3.19Å |
| 55 | R | 95.9 | Very high | 95.4 | Very high | 182 Ų | 182 | 107.9 Ų | 107.9 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -39 | 175.5 | -77.5 | 172.6 | 179.1 | -168 | -1.1 | 112.2 | V51 M52 D53 I58 A59 | V51-R55 VanDerWaalsContact O-CG 3.29Å; V51-R55 WeakPolarHBondContact O-CG 3.43Å; V51-R55 PolarHBondContact O-N 2.83Å; M52-R55 PolarHBondContact O-N 3.49Å; D53-R55 PolarHBondContact O-N 2.92Å; R55-I58 PolarHBondContact O-N 3.05Å; R55-A59 PolarHBondContact O-N 2.85Å |
| 56 | L | 94.9 | Very high | 95.3 | Very high | 111 Ų | 111 | 106.4 Ų | 106.4 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 174.7 | -70.4 | 169.3 | 0 | 0 | 0 | 111.5 | M52 D53 A59 D60 | M52-L56 PolarHBondContact O-N 3.28Å; D53-L56 PolarHBondContact O-N 2.83Å; L56-A59 PolarHBondContact O-N 3.44Å; L56-D60 PolarHBondContact O-N 2.94Å |
| 57 | Q | 96.4 | Very high | 95.2 | Very high | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 174.1 | -72.1 | 174.2 | -1.2 | 0 | 0 | 112.6 | D53 C54 D60 L61 | D53-Q57 WeakPolarHBondContact O-CG 3.37Å; D53-Q57 PolarHBondContact O-N 3.44Å; C54-Q57 PolarHBondContact O-N 3.38Å; Q57-D60 PolarHBondContact O-N 2.84Å; Q57-L61 WeakPolarHBondContact O-CB 3.49Å; Q57-L61 VanDerWaalsContact O-CG 3.27Å; Q57-L61 WeakPolarHBondContact O-CG 3.49Å; Q57-L61 PolarHBondContact O-N 3.38Å |
| 58 | I | 94.8 | Very high | 95.1 | Very high | 89 Ų | 89 | 107 Ų | 107 | 46% | 0.456 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.9 | -70.6 | 163.7 | 0 | 0 | 0 | 110.3 | C54 R55 D60 L61 E62 | C54-I58 VanDerWaalsContact O-CG1 3.27Å; C54-I58 WeakPolarHBondContact O-CG1 3.46Å; C54-I58 PolarHBondContact O-N 3.19Å; R55-I58 PolarHBondContact O-N 3.05Å; I58-D60 PolarHBondContact O-N 3.24Å; I58-L61 PolarHBondContact O-N 2.96Å; I58-E62 HydrophobicContact CG2-CG 4.29Å; I58-E62 WeakPolarHBondContact CG2-OE1 3.22Å; I58-E62 WeakPolarHBondContact O-CB 3.31Å; I58-E62 WeakPolarHBondContact O-CG 3.36Å; I58-E62 PolarHBondContact O-N 3.29Å |
| 59 | A | 94.4 | Very high | 95 | Very high | 57 Ų | 57 | 102.9 Ų | 102.9 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R55 L56 G63 | R55-A59 PolarHBondContact O-N 2.85Å; L56-A59 PolarHBondContact O-N 3.44Å; A59-G63 PolarHBondContact O-N 3.06Å |
| 60 | D | 94.7 | Very high | 94.9 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 170.6 | 174.5 | 66 | 0 | 0 | 0 | 111.3 | L56 Q57 I58 E62 G63 R64 | L56-D60 PolarHBondContact O-N 2.94Å; Q57-D60 PolarHBondContact O-N 2.84Å; I58-D60 PolarHBondContact O-N 3.24Å; D60-E62 PolarHBondContact O-N 2.97Å; D60-G63 PolarHBondContact O-N 3.09Å; D60-R64 WeakPolarHBondContact O-CB 3.42Å; D60-R64 VanDerWaalsContact O-CG 3.3Å; D60-R64 WeakPolarHBondContact O-CG 3.38Å; D60-R64 PolarHBondContact O-N 2.89Å; D60-R64 WeakPolarHBondContact OD1-CD 3.34Å; D60-R64 WeakPolarHBondContact OD2-CD 3.47Å; D60-R64 IonicContact OD2-CZ 2.78Å; D60-R64 IonicContact OD2-NH1 3.5Å; D60-R64 PolarHBondContact OD2-NH1 2.98Å; D60-R64 VanDerWaalsContact OD2-NH1 3.08Å |
| 61 | L | 95.8 | Very high | 94.7 | Very high | 100 Ų | 100 | 96.3 Ų | 96.3 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | -179.9 | -71 | 171.8 | 0 | 0 | 0 | 112 | Q57 I58 R64 L65 | Q57-L61 WeakPolarHBondContact O-CB 3.49Å; Q57-L61 VanDerWaalsContact O-CG 3.27Å; Q57-L61 WeakPolarHBondContact O-CG 3.49Å; Q57-L61 PolarHBondContact O-N 3.38Å; I58-L61 PolarHBondContact O-N 2.96Å; L61-R64 PolarHBondContact O-N 3.13Å; L61-L65 WeakPolarHBondContact O-CB 3.3Å; L61-L65 PolarHBondContact O-N 2.9Å |
| 62 | E | 94.9 | Very high | 94.5 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 173.8 | -74.6 | 176.2 | 178.7 | 0 | 0 | 112.3 | I58 D60 L65 K66 | I58-E62 HydrophobicContact CG2-CG 4.29Å; I58-E62 WeakPolarHBondContact CG2-OE1 3.22Å; I58-E62 WeakPolarHBondContact O-CB 3.31Å; I58-E62 WeakPolarHBondContact O-CG 3.36Å; I58-E62 PolarHBondContact O-N 3.29Å; D60-E62 PolarHBondContact O-N 2.97Å; E62-L65 PolarHBondContact O-N 3.41Å; E62-K66 PolarHBondContact O-N 2.9Å; E62-K66 VanDerWaalsContact O-N 3.1Å |
| 63 | G | 94.6 | Very high | 94.3 | Very high | 41 Ų | 41 | 98.8 Ų | 98.8 | 42% | 0.423 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A59 D60 K66 A67 | A59-G63 PolarHBondContact O-N 3.06Å; D60-G63 PolarHBondContact O-N 3.09Å; G63-K66 PolarHBondContact O-N 3.43Å; G63-A67 PolarHBondContact O-N 2.9Å; G63-A67 VanDerWaalsContact O-N 3.1Å |
| 64 | R | 95 | Very high | 94.1 | Very high | 151 Ų | 151 | 102 Ų | 102 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.1 | -33.5 | 176.6 | -70.3 | 167.2 | 62 | -173.9 | -1.8 | 112.8 | D60 L61 A67 F68 | D60-R64 WeakPolarHBondContact O-CB 3.42Å; D60-R64 VanDerWaalsContact O-CG 3.3Å; D60-R64 WeakPolarHBondContact O-CG 3.38Å; D60-R64 PolarHBondContact O-N 2.89Å; D60-R64 WeakPolarHBondContact OD1-CD 3.34Å; D60-R64 WeakPolarHBondContact OD2-CD 3.47Å; D60-R64 IonicContact OD2-CZ 2.78Å; D60-R64 IonicContact OD2-NH1 3.5Å; D60-R64 PolarHBondContact OD2-NH1 2.98Å; D60-R64 VanDerWaalsContact OD2-NH1 3.08Å; L61-R64 PolarHBondContact O-N 3.13Å; R64-A67 PolarHBondContact O-N 3.2Å; R64-F68 WeakPolarHBondContact O-CB 3.41Å; R64-F68 PolarHBondContact O-N 3.3Å |
| 65 | L | 93.5 | Very high | 93.8 | Very high | 114 Ų | 114 | 103.8 Ų | 103.8 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 175 | -155.2 | 113.8 | 0 | 0 | 0 | 110.9 | L61 E62 A67 F68 D69 | L61-L65 WeakPolarHBondContact O-CB 3.3Å; L61-L65 PolarHBondContact O-N 2.9Å; E62-L65 PolarHBondContact O-N 3.41Å; L65-A67 PolarHBondContact O-N 2.95Å; L65-F68 WeakPolarHBondContact O-CB 3.29Å; L65-F68 PolarHBondContact O-N 3.35Å; L65-F68 VanDerWaalsContact O-N 3.14Å; L65-D69 PolarHBondContact O-N 3.31Å |
| 66 | K | 94.2 | Very high | 93.6 | Very high | 155 Ų | 155 | 97.3 Ų | 97.3 | 67% | 0.674 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61 | -40.8 | 172.9 | -72.8 | 175.2 | 179.8 | 172.8 | 0 | 112.9 | E62 G63 F68 D69 A70 | E62-K66 PolarHBondContact O-N 2.9Å; E62-K66 VanDerWaalsContact O-N 3.1Å; G63-K66 PolarHBondContact O-N 3.43Å; K66-F68 VanDerWaalsContact C-N 3.32Å; K66-D69 PolarHBondContact O-N 2.92Å; K66-A70 PolarHBondContact O-N 2.85Å |
| 67 | A | 92.7 | Very high | 93.4 | Very high | 58 Ų | 58 | 96.3 Ų | 96.3 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G63 R64 L65 A70 T71 | G63-A67 PolarHBondContact O-N 2.9Å; G63-A67 VanDerWaalsContact O-N 3.1Å; R64-A67 PolarHBondContact O-N 3.2Å; L65-A67 PolarHBondContact O-N 2.95Å; A67-A70 PolarHBondContact O-N 3.44Å; A67-T71 PolarHBondContact O-N 2.98Å; A67-T71 PolarHBondContact O-OG1 3Å |
| 68 | F | 93.2 | Very high | 93.2 | Very high | 133 Ų | 133 | 93.3 Ų | 93.3 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.7 | -43.5 | 173.9 | -175.6 | -98.2 | 0 | 0 | 0 | 112.1 | R64 L65 K66 A70 T71 K72 | R64-F68 WeakPolarHBondContact O-CB 3.41Å; R64-F68 PolarHBondContact O-N 3.3Å; L65-F68 WeakPolarHBondContact O-CB 3.29Å; L65-F68 PolarHBondContact O-N 3.35Å; L65-F68 VanDerWaalsContact O-N 3.14Å; K66-F68 VanDerWaalsContact C-N 3.32Å; F68-A70 VanDerWaalsContact C-N 3.33Å; F68-A70 PolarHBondContact O-N 2.86Å; F68-T71 WeakPolarHBondContact CA-OG1 3.43Å; F68-T71 PolarHBondContact O-N 2.66Å; F68-T71 PolarHBondContact O-OG1 3.38Å; F68-K72 VanDerWaalsContact O-CB 3.32Å; F68-K72 WeakPolarHBondContact O-CB 3.46Å; F68-K72 PolarHBondContact O-N 2.87Å |
| 69 | D | 94.2 | Very high | 92.9 | Very high | 79 Ų | 79 | 95 Ų | 95 | 42% | 0.422 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 175.3 | -74.5 | -39 | 0 | 0 | 0 | 112.6 | L65 K66 K72 Q73 | L65-D69 PolarHBondContact O-N 3.31Å; K66-D69 PolarHBondContact O-N 2.92Å; D69-K72 PolarHBondContact O-N 3.32Å; D69-Q73 PolarHBondContact O-N 3.43Å |
| 70 | A | 92.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 93.9 Ų | 93.9 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -51 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | K66 A67 F68 K72 Q73 E74 | K66-A70 PolarHBondContact O-N 2.85Å; A67-A70 PolarHBondContact O-N 3.44Å; F68-A70 VanDerWaalsContact C-N 3.33Å; F68-A70 PolarHBondContact O-N 2.86Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 2.75Å; A70-Q73 WeakPolarHBondContact O-CB 3.42Å; A70-Q73 PolarHBondContact O-N 3.24Å; A70-E74 PolarHBondContact O-N 3.42Å |
| 71 | T | 92.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -28.9 | 177.4 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | A67 F68 L75 | A67-T71 PolarHBondContact O-N 2.98Å; A67-T71 PolarHBondContact O-OG1 3Å; F68-T71 WeakPolarHBondContact CA-OG1 3.43Å; F68-T71 PolarHBondContact O-N 2.66Å; F68-T71 PolarHBondContact O-OG1 3.38Å; T71-L75 WeakPolarHBondContact O-CB 3.39Å; T71-L75 PolarHBondContact O-N 3.11Å |
| 72 | K | 92.6 | Very high | 92 | Very high | 128 Ų | 128 | 94.5 Ų | 94.5 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 171.2 | -179.2 | -175.7 | 173.3 | -169.3 | 0 | 112.2 | F68 D69 A70 A76 | F68-K72 VanDerWaalsContact O-CB 3.32Å; F68-K72 WeakPolarHBondContact O-CB 3.46Å; F68-K72 PolarHBondContact O-N 2.87Å; D69-K72 PolarHBondContact O-N 3.32Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 2.75Å; K72-A76 PolarHBondContact O-N 2.87Å; K72-A76 VanDerWaalsContact O-N 3.1Å |
| 73 | Q | 92.4 | Very high | 91.8 | Very high | 109 Ų | 109 | 93 Ų | 93 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -46.1 | 173.6 | -174.6 | 60 | 49.8 | 0 | 0 | 111.2 | D69 A70 L75 A76 D77 | D69-Q73 PolarHBondContact O-N 3.43Å; A70-Q73 WeakPolarHBondContact O-CB 3.42Å; A70-Q73 PolarHBondContact O-N 3.24Å; Q73-L75 PolarHBondContact O-N 3.37Å; Q73-A76 WeakPolarHBondContact O-CB 3.42Å; Q73-A76 PolarHBondContact O-N 2.93Å; Q73-D77 PolarHBondContact NE2-OD1 2.95Å; Q73-D77 PolarHBondContact O-N 3.21Å |
| 74 | E | 91.6 | Very high | 91.5 | Very high | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.5 | -39.6 | 175 | -68.8 | 173.1 | -179.7 | 0 | 0 | 112 | A70 D77 S78 | A70-E74 PolarHBondContact O-N 3.42Å; E74-D77 PolarHBondContact O-N 3.49Å; E74-S78 VanDerWaalsContact O-CB 3.27Å; E74-S78 WeakPolarHBondContact O-CB 3.37Å; E74-S78 PolarHBondContact O-N 3.46Å |
| 75 | L | 89.7 | Confident | 91.1 | Very high | 103 Ų | 103 | 95.2 Ų | 95.2 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 174.8 | -179.1 | 61.9 | 0 | 0 | 0 | 112.4 | T71 Q73 S78 Q79 | T71-L75 WeakPolarHBondContact O-CB 3.39Å; T71-L75 PolarHBondContact O-N 3.11Å; Q73-L75 PolarHBondContact O-N 3.37Å; L75-S78 PolarHBondContact O-N 3.11Å; L75-Q79 WeakPolarHBondContact O-CB 3.48Å; L75-Q79 VanDerWaalsContact O-CG 3.28Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 3.29Å |
| 76 | A | 91.2 | Very high | 90.8 | Very high | 45 Ų | 45 | 95.1 Ų | 95.1 | 37% | 0.372 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K72 Q73 Q79 G80 | K72-A76 PolarHBondContact O-N 2.87Å; K72-A76 VanDerWaalsContact O-N 3.1Å; Q73-A76 WeakPolarHBondContact O-CB 3.42Å; Q73-A76 PolarHBondContact O-N 2.93Å; A76-Q79 PolarHBondContact O-N 2.93Å; A76-G80 PolarHBondContact O-N 2.86Å |
| 77 | D | 91.7 | Very high | 90.6 | Very high | 91 Ų | 91 | 92.6 Ų | 92.6 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.4 | -64.8 | -19 | 0 | 0 | 0 | 111.2 | Q73 E74 G80 Q81 | Q73-D77 PolarHBondContact NE2-OD1 2.95Å; Q73-D77 PolarHBondContact O-N 3.21Å; E74-D77 PolarHBondContact O-N 3.49Å; D77-G80 PolarHBondContact O-N 3.07Å; D77-Q81 PolarHBondContact O-N 3.46Å |
| 78 | S | 90.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 94 Ų | 94 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 173.5 | -176 | 0 | 0 | 0 | 0 | 112.1 | E74 L75 G80 Q81 C82 | E74-S78 VanDerWaalsContact O-CB 3.27Å; E74-S78 WeakPolarHBondContact O-CB 3.37Å; E74-S78 PolarHBondContact O-N 3.46Å; L75-S78 PolarHBondContact O-N 3.11Å; S78-G80 PolarHBondContact O-N 3.42Å; S78-Q81 WeakPolarHBondContact O-CA 3.48Å; S78-Q81 WeakPolarHBondContact O-CB 3.48Å; S78-Q81 PolarHBondContact O-N 3.22Å; S78-C82 PolarHBondContact O-N 3.26Å; S78-C82 PolarHBondContact O-SG 2.97Å |
| 79 | Q | 89.7 | Confident | 89.7 | Confident | 124 Ų | 124 | 92.5 Ų | 92.5 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.9 | -44.6 | 173.5 | -75.5 | 171.9 | -13.1 | 0 | 0 | 111.8 | L75 A76 Q81 C82 E83 | L75-Q79 WeakPolarHBondContact O-CB 3.48Å; L75-Q79 VanDerWaalsContact O-CG 3.28Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 3.29Å; A76-Q79 PolarHBondContact O-N 2.93Å; Q79-Q81 VanDerWaalsContact C-N 3.28Å; Q79-Q81 PolarHBondContact O-N 2.82Å; Q79-C82 PolarHBondContact O-N 2.61Å; Q79-E83 PolarHBondContact O-N 3.11Å |
| 80 | G | 90.1 | Very high | 89.4 | Confident | 34 Ų | 34 | 93 Ų | 93 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -27.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A76 D77 S78 R84 | A76-G80 PolarHBondContact O-N 2.86Å; D77-G80 PolarHBondContact O-N 3.07Å; S78-G80 PolarHBondContact O-N 3.42Å; G80-R84 WeakPolarHBondContact O-CG 3.43Å; G80-R84 PolarHBondContact O-N 3.05Å; G80-R84 PolarHBondContact O-NE 2.94Å |
| 81 | Q | 89.9 | Confident | 89.1 | Confident | 118 Ų | 118 | 93.3 Ų | 93.3 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.2 | -44.3 | 171.4 | -168.2 | 171.6 | 1.8 | 0 | 0 | 112 | D77 S78 Q79 E83 R84 V85 | D77-Q81 PolarHBondContact O-N 3.46Å; S78-Q81 WeakPolarHBondContact O-CA 3.48Å; S78-Q81 WeakPolarHBondContact O-CB 3.48Å; S78-Q81 PolarHBondContact O-N 3.22Å; Q79-Q81 VanDerWaalsContact C-N 3.28Å; Q79-Q81 PolarHBondContact O-N 2.82Å; Q81-E83 VanDerWaalsContact C-N 3.31Å; Q81-E83 PolarHBondContact O-N 2.7Å; Q81-R84 PolarHBondContact O-N 3.43Å; Q81-V85 WeakPolarHBondContact O-CG2 3.35Å; Q81-V85 PolarHBondContact O-N 3.37Å |
| 82 | C | 85.2 | Confident | 88.6 | Confident | 80 Ų | 80 | 93 Ų | 93 | 54% | 0.541 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.1 | -43 | 173.5 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | S78 Q79 R84 V85 R86 | S78-C82 PolarHBondContact O-N 3.26Å; S78-C82 PolarHBondContact O-SG 2.97Å; Q79-C82 PolarHBondContact O-N 2.61Å; C82-R84 PolarHBondContact O-N 2.89Å; C82-V85 PolarHBondContact O-N 3.09Å; C82-R86 WeakPolarHBondContact O-CB 3.23Å; C82-R86 PolarHBondContact O-N 2.94Å |
| 83 | E | 90.6 | Very high | 88.1 | Confident | 83 Ų | 83 | 92.1 Ų | 92.1 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 179.5 | -173.9 | 56.5 | -157.7 | 0 | 0 | 112.7 | Q79 Q81 V85 R86 M87 | Q79-E83 PolarHBondContact O-N 3.11Å; Q81-E83 VanDerWaalsContact C-N 3.31Å; Q81-E83 PolarHBondContact O-N 2.7Å; E83-V85 PolarHBondContact O-N 3.09Å; E83-R86 VanDerWaalsContact CD-NE 3.32Å; E83-R86 WeakPolarHBondContact O-CB 3.43Å; E83-R86 PolarHBondContact O-N 2.94Å; E83-R86 IonicContact OE1-CZ 2.84Å; E83-R86 VanDerWaalsContact OE1-CZ 3.31Å; E83-R86 IonicContact OE1-NE 3.81Å; E83-R86 PolarHBondContact OE1-NE 2.94Å; E83-R86 VanDerWaalsContact OE1-NE 3.11Å; E83-R86 IonicContact OE1-NH2 2.86Å; E83-R86 PolarHBondContact OE1-NH2 2.98Å; E83-R86 IonicContact OE2-CZ 2.68Å; E83-R86 IonicContact OE2-NE 3.66Å; E83-R86 PolarHBondContact OE2-NE 3.47Å; E83-R86 IonicContact OE2-NH2 3.58Å; E83-M87 PolarHBondContact O-N 3.4Å |
| 84 | R | 89.6 | Confident | 87.6 | Confident | 146 Ų | 146 | 90.1 Ų | 90.1 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -39.3 | 172.3 | -74.4 | 176.3 | -69.1 | -165.1 | 2.2 | 112.4 | G80 Q81 C82 M87 T88 | G80-R84 WeakPolarHBondContact O-CG 3.43Å; G80-R84 PolarHBondContact O-N 3.05Å; G80-R84 PolarHBondContact O-NE 2.94Å; Q81-R84 PolarHBondContact O-N 3.43Å; C82-R84 PolarHBondContact O-N 2.89Å; R84-M87 HydrophobicContact CG-CE 4.32Å; R84-T88 WeakPolarHBondContact O-CB 3.24Å; R84-T88 PolarHBondContact O-N 3.01Å; R84-T88 VanDerWaalsContact O-N 3.08Å; R84-T88 PolarHBondContact O-OG1 3.03Å |
| 85 | V | 85 | Confident | 87.2 | Confident | 92 Ų | 92 | 90.4 Ų | 90.4 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | Q81 C82 E83 T88 L89 | Q81-V85 WeakPolarHBondContact O-CG2 3.35Å; Q81-V85 PolarHBondContact O-N 3.37Å; C82-V85 PolarHBondContact O-N 3.09Å; E83-V85 PolarHBondContact O-N 3.09Å; V85-T88 WeakPolarHBondContact O-CB 3.38Å; V85-T88 PolarHBondContact O-N 2.93Å; V85-L89 PolarHBondContact O-N 3.41Å |
| 86 | R | 88.5 | Confident | 86.5 | Confident | 112 Ų | 112 | 90.1 Ų | 90.1 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -52.7 | 176.4 | -162.4 | -175.2 | 73.8 | 67.9 | 14.5 | 111.8 | C82 E83 T88 L89 E90 | C82-R86 WeakPolarHBondContact O-CB 3.23Å; C82-R86 PolarHBondContact O-N 2.94Å; E83-R86 VanDerWaalsContact CD-NE 3.32Å; E83-R86 WeakPolarHBondContact O-CB 3.43Å; E83-R86 PolarHBondContact O-N 2.94Å; E83-R86 IonicContact OE1-CZ 2.84Å; E83-R86 VanDerWaalsContact OE1-CZ 3.31Å; E83-R86 IonicContact OE1-NE 3.81Å; E83-R86 PolarHBondContact OE1-NE 2.94Å; E83-R86 VanDerWaalsContact OE1-NE 3.11Å; E83-R86 IonicContact OE1-NH2 2.86Å; E83-R86 PolarHBondContact OE1-NH2 2.98Å; E83-R86 IonicContact OE2-CZ 2.68Å; E83-R86 IonicContact OE2-NE 3.66Å; E83-R86 PolarHBondContact OE2-NE 3.47Å; E83-R86 IonicContact OE2-NH2 3.58Å; R86-T88 VanDerWaalsContact C-N 3.26Å; R86-T88 PolarHBondContact O-N 3.49Å; R86-L89 WeakPolarHBondContact O-CB 3.4Å; R86-L89 PolarHBondContact O-N 3.37Å; R86-L89 VanDerWaalsContact O-N 3.13Å; R86-E90 IonicContact CZ-OE1 3.19Å; R86-E90 IonicContact CZ-OE2 2.96Å; R86-E90 VanDerWaalsContact NH1-CD 3.32Å; R86-E90 IonicContact NH1-OE1 3.14Å; R86-E90 PolarHBondContact NH1-OE1 3.2Å; R86-E90 IonicContact NH1-OE2 3.11Å; R86-E90 IonicContact NH2-OE2 3.95Å; R86-E90 WeakPolarHBondContact O-CG 3.4Å; R86-E90 PolarHBondContact O-N 3.08Å |
| 87 | M | 88.5 | Confident | 86 | Confident | 101 Ų | 101 | 90 Ų | 90 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 175.6 | -66.8 | -171.1 | -63.4 | 0 | 0 | 113 | E83 R84 S91 | E83-M87 PolarHBondContact O-N 3.4Å; R84-M87 HydrophobicContact CG-CE 4.32Å; M87-S91 WeakPolarHBondContact O-CB 3.43Å; M87-S91 PolarHBondContact O-N 3.49Å |
| 88 | T | 87.6 | Confident | 85.5 | Confident | 87 Ų | 87 | 88.4 Ų | 88.4 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.4 | -39.8 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 111 | R84 V85 R86 S91 C92 | R84-T88 WeakPolarHBondContact O-CB 3.24Å; R84-T88 PolarHBondContact O-N 3.01Å; R84-T88 VanDerWaalsContact O-N 3.08Å; R84-T88 PolarHBondContact O-OG1 3.03Å; V85-T88 WeakPolarHBondContact O-CB 3.38Å; V85-T88 PolarHBondContact O-N 2.93Å; R86-T88 VanDerWaalsContact C-N 3.26Å; R86-T88 PolarHBondContact O-N 3.49Å; T88-S91 PolarHBondContact O-N 3.28Å; T88-C92 PolarHBondContact O-N 2.98Å; T88-C92 PolarHBondContact O-SG 2.91Å; T88-C92 VanDerWaalsContact O-SG 3.37Å |
| 89 | L | 80.4 | Confident | 84.9 | Confident | 102 Ų | 102 | 87.3 Ų | 87.3 | 53% | 0.534 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.1 | -50.9 | 175.2 | -166.8 | 79.6 | 0 | 0 | 0 | 110.8 | V85 R86 S91 C92 E93 | V85-L89 PolarHBondContact O-N 3.41Å; R86-L89 WeakPolarHBondContact O-CB 3.4Å; R86-L89 PolarHBondContact O-N 3.37Å; R86-L89 VanDerWaalsContact O-N 3.13Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 2.88Å; L89-C92 CarbonylContact O-C 3.6Å; L89-C92 WeakPolarHBondContact O-CA 3.34Å; L89-C92 WeakPolarHBondContact O-CB 3.48Å; L89-C92 PolarHBondContact O-N 3.27Å; L89-E93 WeakPolarHBondContact O-CG 3.33Å; L89-E93 PolarHBondContact O-N 3.48Å |
| 90 | E | 87.5 | Confident | 84.2 | Confident | 89 Ų | 89 | 86.7 Ų | 86.7 | 42% | 0.416 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.4 | -40.6 | 177 | -68.4 | 174.2 | 147.7 | 0 | 0 | 111.8 | R86 E93 A94 | R86-E90 IonicContact CZ-OE1 3.19Å; R86-E90 IonicContact CZ-OE2 2.96Å; R86-E90 VanDerWaalsContact NH1-CD 3.32Å; R86-E90 IonicContact NH1-OE1 3.14Å; R86-E90 PolarHBondContact NH1-OE1 3.2Å; R86-E90 IonicContact NH1-OE2 3.11Å; R86-E90 IonicContact NH2-OE2 3.95Å; R86-E90 WeakPolarHBondContact O-CG 3.4Å; R86-E90 PolarHBondContact O-N 3.08Å; E90-E93 PolarHBondContact O-N 3.5Å; E90-A94 WeakPolarHBondContact O-CB 3.41Å; E90-A94 PolarHBondContact O-N 2.97Å |
| 91 | S | 86 | Confident | 83.9 | Confident | 56 Ų | 56 | 91.5 Ų | 91.5 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 174.9 | -171.2 | 0 | 0 | 0 | 0 | 112.8 | M87 T88 L89 K95 | M87-S91 WeakPolarHBondContact O-CB 3.43Å; M87-S91 PolarHBondContact O-N 3.49Å; T88-S91 PolarHBondContact O-N 3.28Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 2.88Å; S91-K95 WeakPolarHBondContact O-CD 3.36Å; S91-K95 VanDerWaalsContact O-CG 3.27Å; S91-K95 WeakPolarHBondContact O-CG 3.41Å; S91-K95 PolarHBondContact O-N 2.9Å |
| 92 | C | 81.6 | Confident | 83.2 | Confident | 67 Ų | 67 | 91.3 Ų | 91.3 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.6 | -38.7 | 176.4 | -73.6 | 0 | 0 | 0 | 0 | 112.4 | T88 L89 K95 L96 | T88-C92 PolarHBondContact O-N 2.98Å; T88-C92 PolarHBondContact O-SG 2.91Å; T88-C92 VanDerWaalsContact O-SG 3.37Å; L89-C92 CarbonylContact O-C 3.6Å; L89-C92 WeakPolarHBondContact O-CA 3.34Å; L89-C92 WeakPolarHBondContact O-CB 3.48Å; L89-C92 PolarHBondContact O-N 3.27Å; C92-K95 PolarHBondContact O-N 3.19Å; C92-L96 WeakPolarHBondContact O-CB 3.45Å; C92-L96 PolarHBondContact O-N 3.21Å |
| 93 | E | 82.1 | Confident | 82.4 | Confident | 110 Ų | 110 | 88.8 Ų | 88.8 | 51% | 0.514 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.3 | -71.6 | 173.4 | 167.1 | 0 | 0 | 111.2 | L89 E90 K95 L96 A97 | L89-E93 WeakPolarHBondContact O-CG 3.33Å; L89-E93 PolarHBondContact O-N 3.48Å; E90-E93 PolarHBondContact O-N 3.5Å; E93-K95 VanDerWaalsContact C-N 3.34Å; E93-K95 PolarHBondContact O-N 3.01Å; E93-L96 PolarHBondContact O-N 3.45Å; E93-A97 PolarHBondContact O-N 3.16Å |
| 94 | A | 83.1 | Confident | 81.7 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E90 D98 | E90-A94 WeakPolarHBondContact O-CB 3.41Å; E90-A94 PolarHBondContact O-N 2.97Å; A94-D98 PolarHBondContact O-N 3.45Å |
| 95 | K | 82.7 | Confident | 81 | Confident | 134 Ų | 134 | 89.7 Ų | 89.7 | 58% | 0.583 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.2 | -36 | 174.4 | -72.4 | 166.9 | -174.3 | 169.7 | 0 | 112.4 | S91 C92 E93 D98 A99 | S91-K95 WeakPolarHBondContact O-CD 3.36Å; S91-K95 VanDerWaalsContact O-CG 3.27Å; S91-K95 WeakPolarHBondContact O-CG 3.41Å; S91-K95 PolarHBondContact O-N 2.9Å; C92-K95 PolarHBondContact O-N 3.19Å; E93-K95 VanDerWaalsContact C-N 3.34Å; E93-K95 PolarHBondContact O-N 3.01Å; K95-D98 PolarHBondContact O-N 2.88Å; K95-A99 PolarHBondContact O-N 3.47Å |
| 96 | L | 74.2 | Confident | 80.5 | Confident | 97 Ų | 97 | 86.8 Ų | 86.8 | 51% | 0.508 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 177.2 | -176.9 | 63 | 0 | 0 | 0 | 110.7 | C92 E93 D98 A99 E100 | C92-L96 WeakPolarHBondContact O-CB 3.45Å; C92-L96 PolarHBondContact O-N 3.21Å; E93-L96 PolarHBondContact O-N 3.45Å; L96-D98 PolarHBondContact O-N 2.62Å; L96-D98 VanDerWaalsContact O-N 3.17Å; L96-A99 WeakPolarHBondContact O-CA 3.48Å; L96-A99 WeakPolarHBondContact O-CB 3.43Å; L96-A99 PolarHBondContact O-N 2.88Å; L96-E100 WeakPolarHBondContact O-CG 3.43Å; L96-E100 PolarHBondContact O-N 3.34Å |
| 97 | A | 81.6 | Confident | 79.6 | Confident | 43 Ų | 43 | 83.7 Ų | 83.7 | 36% | 0.355 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -22.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E93 R101 | E93-A97 PolarHBondContact O-N 3.16Å; A97-R101 WeakPolarHBondContact O-CG 3.36Å; A97-R101 PolarHBondContact O-N 3.31Å; A97-R101 PolarHBondContact O-NE 3Å; A97-R101 VanDerWaalsContact O-NE 3.14Å |
| 98 | D | 81.5 | Confident | 78.9 | Confident | 56 Ų | 56 | 80.3 Ų | 80.3 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -79.9 | -40.4 | 170.2 | -170.4 | 79.9 | 0 | 0 | 0 | 113 | A94 K95 L96 E100 R101 R102 | A94-D98 PolarHBondContact O-N 3.45Å; K95-D98 PolarHBondContact O-N 2.88Å; L96-D98 PolarHBondContact O-N 2.62Å; L96-D98 VanDerWaalsContact O-N 3.17Å; D98-E100 VanDerWaalsContact C-N 3.3Å; D98-E100 PolarHBondContact O-N 2.93Å; D98-R101 VanDerWaalsContact CA-NH2 3.32Å; D98-R101 PolarHBondContact O-N 2.92Å; D98-R101 IonicContact OD1-CZ 2.72Å; D98-R101 IonicContact OD1-NH1 3.97Å; D98-R101 PolarHBondContact OD1-NH1 3.38Å; D98-R101 IonicContact OD1-NH2 2.84Å; D98-R101 PolarHBondContact OD1-NH2 3.24Å; D98-R102 PolarHBondContact O-N 3.02Å; D98-R102 VanDerWaalsContact O-N 3.09Å; D98-R102 PolarHBondContact O-NE 2.98Å; D98-R102 IonicContact OD2-CZ 2.7Å; D98-R102 VanDerWaalsContact OD2-CZ 3.29Å; D98-R102 IonicContact OD2-NE 2.76Å; D98-R102 PolarHBondContact OD2-NE 3.1Å; D98-R102 IonicContact OD2-NH2 3.11Å; D98-R102 PolarHBondContact OD2-NH2 3.4Å |
| 99 | A | 76.5 | Confident | 78.4 | Confident | 37 Ų | 37 | 81.8 Ų | 81.8 | 31% | 0.306 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.5 | -34.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K95 L96 A103 | K95-A99 PolarHBondContact O-N 3.47Å; L96-A99 WeakPolarHBondContact O-CA 3.48Å; L96-A99 WeakPolarHBondContact O-CB 3.43Å; L96-A99 PolarHBondContact O-N 2.88Å; A99-A103 WeakPolarHBondContact O-CB 3.39Å; A99-A103 PolarHBondContact O-N 3.37Å |
| 100 | E | 76.6 | Confident | 78.3 | Confident | 110 Ų | 110 | 81.5 Ų | 81.5 | 51% | 0.514 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 174.8 | -72.4 | 174.9 | 158.9 | 0 | 0 | 111.6 | L96 D98 R102 A103 D104 | L96-E100 WeakPolarHBondContact O-CG 3.43Å; L96-E100 PolarHBondContact O-N 3.34Å; D98-E100 VanDerWaalsContact C-N 3.3Å; D98-E100 PolarHBondContact O-N 2.93Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 PolarHBondContact O-N 3.45Å; E100-A103 WeakPolarHBondContact O-CA 3.39Å; E100-A103 VanDerWaalsContact O-CB 3.3Å; E100-A103 WeakPolarHBondContact O-CB 3.33Å; E100-A103 PolarHBondContact O-N 3.01Å; E100-D104 PolarHBondContact O-N 3.35Å |
| 101 | R | 82.3 | Confident | 78.2 | Confident | 135 Ų | 135 | 84.1 Ų | 84.1 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.9 | -43.9 | 174.3 | -77.2 | -179.9 | -69.4 | 117.6 | 0.9 | 112.4 | A97 D98 A103 D104 E105 | A97-R101 WeakPolarHBondContact O-CG 3.36Å; A97-R101 PolarHBondContact O-N 3.31Å; A97-R101 PolarHBondContact O-NE 3Å; A97-R101 VanDerWaalsContact O-NE 3.14Å; D98-R101 VanDerWaalsContact CA-NH2 3.32Å; D98-R101 PolarHBondContact O-N 2.92Å; D98-R101 IonicContact OD1-CZ 2.72Å; D98-R101 IonicContact OD1-NH1 3.97Å; D98-R101 PolarHBondContact OD1-NH1 3.38Å; D98-R101 IonicContact OD1-NH2 2.84Å; D98-R101 PolarHBondContact OD1-NH2 3.24Å; R101-A103 VanDerWaalsContact C-N 3.29Å; R101-A103 PolarHBondContact O-N 3.11Å; R101-D104 PolarHBondContact O-N 3.05Å; R101-E105 WeakPolarHBondContact O-CG 3.47Å; R101-E105 PolarHBondContact O-N 3.49Å |
| 102 | R | 75.3 | Confident | 78.1 | Confident | 115 Ų | 115 | 86.2 Ų | 86.2 | 43% | 0.434 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.7 | -29.3 | 174.7 | -74.8 | -176.2 | -77.3 | 112.1 | -2.3 | 113.3 | D98 E100 A106 | D98-R102 PolarHBondContact O-N 3.02Å; D98-R102 VanDerWaalsContact O-N 3.09Å; D98-R102 PolarHBondContact O-NE 2.98Å; D98-R102 IonicContact OD2-CZ 2.7Å; D98-R102 VanDerWaalsContact OD2-CZ 3.29Å; D98-R102 IonicContact OD2-NE 2.76Å; D98-R102 PolarHBondContact OD2-NE 3.1Å; D98-R102 IonicContact OD2-NH2 3.11Å; D98-R102 PolarHBondContact OD2-NH2 3.4Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 PolarHBondContact O-N 3.45Å; R102-A106 WeakPolarHBondContact O-CB 3.37Å; R102-A106 PolarHBondContact O-N 2.91Å; R102-A106 VanDerWaalsContact O-N 3.1Å |
| 103 | A | 70 | Confident | 78.3 | Confident | 26 Ų | 26 | 89.3 Ų | 89.3 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A99 E100 R101 A106 S107 | A99-A103 WeakPolarHBondContact O-CB 3.39Å; A99-A103 PolarHBondContact O-N 3.37Å; E100-A103 WeakPolarHBondContact O-CA 3.39Å; E100-A103 VanDerWaalsContact O-CB 3.3Å; E100-A103 WeakPolarHBondContact O-CB 3.33Å; E100-A103 PolarHBondContact O-N 3.01Å; R101-A103 VanDerWaalsContact C-N 3.29Å; R101-A103 PolarHBondContact O-N 3.11Å; A103-A106 PolarHBondContact O-N 3.18Å; A103-S107 PolarHBondContact O-N 3.19Å |
| 104 | D | 76 | Confident | 78.5 | Confident | 120 Ų | 120 | 87.9 Ų | 87.9 | 64% | 0.642 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 176.5 | -72.3 | -28.1 | 0 | 0 | 0 | 112.1 | E100 R101 A106 S107 G108 | E100-D104 PolarHBondContact O-N 3.35Å; R101-D104 PolarHBondContact O-N 3.05Å; D104-A106 PolarHBondContact O-N 2.95Å; D104-S107 WeakPolarHBondContact O-CB 3.42Å; D104-S107 PolarHBondContact O-N 3.1Å; D104-G108 PolarHBondContact O-N 3.38Å |
| 105 | E | 74.7 | Confident | 78.7 | Confident | 129 Ų | 129 | 87.5 Ų | 87.5 | 60% | 0.603 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -57.3 | -47.2 | 172.5 | -72.6 | 172 | -173.9 | 0 | 0 | 111.5 | R101 S107 G108 L109 | R101-E105 WeakPolarHBondContact O-CG 3.47Å; R101-E105 PolarHBondContact O-N 3.49Å; E105-S107 VanDerWaalsContact C-N 3.34Å; E105-S107 PolarHBondContact O-N 3.02Å; E105-G108 PolarHBondContact O-N 3.44Å; E105-G108 VanDerWaalsContact O-N 3.14Å; E105-L109 PolarHBondContact O-N 2.9Å |
| 106 | A | 73.6 | Confident | 78.8 | Confident | 30 Ų | 30 | 85.1 Ų | 85.1 | 25% | 0.248 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R102 A103 D104 G108 L109 I110 | R102-A106 WeakPolarHBondContact O-CB 3.37Å; R102-A106 PolarHBondContact O-N 2.91Å; R102-A106 VanDerWaalsContact O-N 3.1Å; A103-A106 PolarHBondContact O-N 3.18Å; D104-A106 PolarHBondContact O-N 2.95Å; A106-G108 VanDerWaalsContact C-N 3.31Å; A106-G108 PolarHBondContact O-N 3.41Å; A106-L109 PolarHBondContact O-N 2.95Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3Å |
| 107 | S | 69.1 | Low | 79.2 | Confident | 48 Ų | 48 | 84.5 Ų | 84.5 | 34% | 0.336 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 173.7 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | A103 D104 E105 K111 | A103-S107 PolarHBondContact O-N 3.19Å; D104-S107 WeakPolarHBondContact O-CB 3.42Å; D104-S107 PolarHBondContact O-N 3.1Å; E105-S107 VanDerWaalsContact C-N 3.34Å; E105-S107 PolarHBondContact O-N 3.02Å; S107-K111 WeakPolarHBondContact O-CG 3.41Å; S107-K111 PolarHBondContact O-N 2.94Å |
| 108 | G | 75.6 | Confident | 79.6 | Confident | 30 Ų | 30 | 86.6 Ų | 86.6 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D104 E105 A106 I110 K111 I112 | D104-G108 PolarHBondContact O-N 3.38Å; E105-G108 PolarHBondContact O-N 3.44Å; E105-G108 VanDerWaalsContact O-N 3.14Å; A106-G108 VanDerWaalsContact C-N 3.31Å; A106-G108 PolarHBondContact O-N 3.41Å; G108-I110 PolarHBondContact O-N 3.19Å; G108-K111 PolarHBondContact O-N 3.28Å; G108-I112 WeakPolarHBondContact O-CG1 3.45Å; G108-I112 PolarHBondContact O-N 2.91Å; G108-I112 VanDerWaalsContact O-N 3.16Å |
| 109 | L | 77 | Confident | 80.1 | Confident | 118 Ų | 118 | 90.8 Ų | 90.8 | 62% | 0.618 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.8 | -38.1 | 178.7 | -67.6 | 175.2 | 0 | 0 | 0 | 112.9 | E105 A106 I112 K113 | E105-L109 PolarHBondContact O-N 2.9Å; A106-L109 PolarHBondContact O-N 2.95Å; L109-I112 PolarHBondContact O-N 3.28Å; L109-K113 WeakPolarHBondContact O-CB 3.36Å; L109-K113 PolarHBondContact O-N 2.93Å |
| 110 | I | 77.5 | Confident | 80.3 | Confident | 96 Ų | 96 | 94.7 Ų | 94.7 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 174.9 | -69.9 | 164.2 | 0 | 0 | 0 | 110.6 | A106 G108 I112 K113 D114 | A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3Å; G108-I110 PolarHBondContact O-N 3.19Å; I110-I112 VanDerWaalsContact C-N 3.28Å; I110-I112 PolarHBondContact O-N 3.22Å; I110-K113 WeakPolarHBondContact O-CB 3.26Å; I110-K113 PolarHBondContact O-N 3.06Å; I110-K113 VanDerWaalsContact O-N 3.15Å; I110-D114 VanDerWaalsContact O-CG 3.26Å; I110-D114 PolarHBondContact O-N 3.44Å |
| 111 | K | 84.7 | Confident | 80.8 | Confident | 143 Ų | 143 | 92.1 Ų | 92.1 | 62% | 0.622 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60 | -37 | 177 | -68.2 | 166.3 | -175.6 | 169.6 | 0 | 112.8 | S107 G108 S115 | S107-K111 WeakPolarHBondContact O-CG 3.41Å; S107-K111 PolarHBondContact O-N 2.94Å; G108-K111 PolarHBondContact O-N 3.28Å; K111-S115 WeakPolarHBondContact O-CB 3.34Å; K111-S115 PolarHBondContact O-N 3.06Å |
| 112 | I | 85.4 | Confident | 81.2 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 52% | 0.518 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.5 | -46.5 | 175.6 | -66.4 | 167.3 | 0 | 0 | 0 | 110.5 | G108 L109 I110 D114 S115 I116 | G108-I112 WeakPolarHBondContact O-CG1 3.45Å; G108-I112 PolarHBondContact O-N 2.91Å; G108-I112 VanDerWaalsContact O-N 3.16Å; L109-I112 PolarHBondContact O-N 3.28Å; I110-I112 VanDerWaalsContact C-N 3.28Å; I110-I112 PolarHBondContact O-N 3.22Å; I112-D114 PolarHBondContact O-N 2.94Å; I112-S115 WeakPolarHBondContact O-CB 3.34Å; I112-S115 PolarHBondContact O-N 3.13Å; I112-I116 HydrophobicContact CG2-CD1 3.98Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.06Å |
| 113 | K | 84.6 | Confident | 81.8 | Confident | 132 Ų | 132 | 90.7 Ų | 90.7 | 57% | 0.574 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -56.1 | -49.5 | 175.6 | 178.8 | -167.4 | 172.1 | -169.6 | 0 | 111.3 | L109 I110 S115 I116 I117 | L109-K113 WeakPolarHBondContact O-CB 3.36Å; L109-K113 PolarHBondContact O-N 2.93Å; I110-K113 WeakPolarHBondContact O-CB 3.26Å; I110-K113 PolarHBondContact O-N 3.06Å; I110-K113 VanDerWaalsContact O-N 3.15Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.4Å; K113-I116 WeakPolarHBondContact O-CB 3.35Å; K113-I116 PolarHBondContact O-N 2.89Å; K113-I116 VanDerWaalsContact O-N 3.14Å; K113-I117 HydrophobicContact CG-CD1 4Å; K113-I117 WeakPolarHBondContact O-CG1 3.49Å; K113-I117 PolarHBondContact O-N 3.32Å |
| 114 | D | 85.9 | Confident | 82.4 | Confident | 80 Ų | 80 | 92.8 Ų | 92.8 | 43% | 0.428 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | -179.2 | -63.1 | -19.5 | 0 | 0 | 0 | 111.3 | I110 I112 I116 I117 V118 | I110-D114 VanDerWaalsContact O-CG 3.26Å; I110-D114 PolarHBondContact O-N 3.44Å; I112-D114 PolarHBondContact O-N 2.94Å; D114-I116 VanDerWaalsContact C-N 3.35Å; D114-I116 PolarHBondContact O-N 3.06Å; D114-I117 PolarHBondContact O-N 3.04Å; D114-V118 WeakPolarHBondContact O-CG2 3.39Å; D114-V118 PolarHBondContact O-N 3.25Å |
| 115 | S | 88.4 | Confident | 83 | Confident | 58 Ų | 58 | 92.6 Ų | 92.6 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 172.9 | -171.3 | 0 | 0 | 0 | 0 | 112.9 | K111 I112 K113 K119 | K111-S115 WeakPolarHBondContact O-CB 3.34Å; K111-S115 PolarHBondContact O-N 3.06Å; I112-S115 WeakPolarHBondContact O-CB 3.34Å; I112-S115 PolarHBondContact O-N 3.13Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.4Å; S115-K119 WeakPolarHBondContact O-CG 3.24Å; S115-K119 PolarHBondContact O-N 3.19Å; S115-K119 VanDerWaalsContact O-N 3.09Å |
| 116 | I | 85.1 | Confident | 83.8 | Confident | 84 Ų | 84 | 90.4 Ų | 90.4 | 43% | 0.431 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 175.5 | -68.6 | 165.8 | 0 | 0 | 0 | 110.6 | I112 K113 D114 V118 K119 Q120 | I112-I116 HydrophobicContact CG2-CD1 3.98Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.06Å; K113-I116 WeakPolarHBondContact O-CB 3.35Å; K113-I116 PolarHBondContact O-N 2.89Å; K113-I116 VanDerWaalsContact O-N 3.14Å; D114-I116 VanDerWaalsContact C-N 3.35Å; D114-I116 PolarHBondContact O-N 3.06Å; I116-V118 VanDerWaalsContact C-N 3.34Å; I116-V118 PolarHBondContact O-N 3.32Å; I116-K119 PolarHBondContact O-N 3.27Å; I116-Q120 HydrophobicContact CG2-CG 4.34Å; I116-Q120 WeakPolarHBondContact O-CG 3.48Å; I116-Q120 PolarHBondContact O-N 3.11Å |
| 117 | I | 82.7 | Confident | 84.3 | Confident | 84 Ų | 84 | 92.4 Ų | 92.4 | 43% | 0.431 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 177.8 | -69.1 | 167.1 | 0 | 0 | 0 | 111 | K113 D114 Q120 S121 | K113-I117 HydrophobicContact CG-CD1 4Å; K113-I117 WeakPolarHBondContact O-CG1 3.49Å; K113-I117 PolarHBondContact O-N 3.32Å; D114-I117 PolarHBondContact O-N 3.04Å; I117-Q120 PolarHBondContact O-N 2.88Å; I117-S121 WeakPolarHBondContact O-CB 3.48Å; I117-S121 PolarHBondContact O-N 2.69Å |
| 118 | V | 88.3 | Confident | 85.1 | Confident | 87 Ų | 87 | 95.3 Ų | 95.3 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | D114 I116 S121 N122 | D114-V118 WeakPolarHBondContact O-CG2 3.39Å; D114-V118 PolarHBondContact O-N 3.25Å; I116-V118 VanDerWaalsContact C-N 3.34Å; I116-V118 PolarHBondContact O-N 3.32Å; V118-S121 PolarHBondContact O-N 3.05Å; V118-N122 VanDerWaalsContact O-CG 3.32Å; V118-N122 PolarHBondContact O-N 2.96Å |
| 119 | K | 92 | Very high | 85.8 | Confident | 143 Ų | 143 | 99.8 Ų | 99.8 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 176.5 | -74.5 | 176.5 | -178.8 | -177.6 | 0 | 112.2 | S115 I116 N122 F123 | S115-K119 WeakPolarHBondContact O-CG 3.24Å; S115-K119 PolarHBondContact O-N 3.19Å; S115-K119 VanDerWaalsContact O-N 3.09Å; I116-K119 PolarHBondContact O-N 3.27Å; K119-N122 PolarHBondContact O-N 3.11Å; K119-F123 WeakPolarHBondContact O-CB 3.48Å; K119-F123 PolarHBondContact O-N 3.18Å |
| 120 | Q | 81.9 | Confident | 86.6 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 176.2 | -74.5 | 177.7 | -33.1 | 0 | 0 | 111.4 | I116 I117 N122 F123 T124 | I116-Q120 HydrophobicContact CG2-CG 4.34Å; I116-Q120 WeakPolarHBondContact O-CG 3.48Å; I116-Q120 PolarHBondContact O-N 3.11Å; I117-Q120 PolarHBondContact O-N 2.88Å; Q120-N122 VanDerWaalsContact C-N 3.31Å; Q120-N122 PolarHBondContact O-N 3.18Å; Q120-F123 PolarHBondContact O-N 2.9Å; Q120-T124 PolarHBondContact O-N 3.47Å; Q120-T124 PolarHBondContact O-OG1 3.31Å; Q120-T124 VanDerWaalsContact O-OG1 3.1Å |
| 121 | S | 87.7 | Confident | 86.9 | Confident | 55 Ų | 55 | 101.7 Ų | 101.7 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 177.5 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | I117 V118 K125 | I117-S121 WeakPolarHBondContact O-CB 3.48Å; I117-S121 PolarHBondContact O-N 2.69Å; V118-S121 PolarHBondContact O-N 3.05Å; S121-K125 WeakPolarHBondContact O-CG 3.33Å; S121-K125 PolarHBondContact O-N 2.96Å |
| 122 | N | 90.7 | Very high | 87.2 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 176.3 | -68.9 | -12.5 | 0 | 0 | 0 | 111.9 | V118 K119 Q120 K125 E126 | V118-N122 VanDerWaalsContact O-CG 3.32Å; V118-N122 PolarHBondContact O-N 2.96Å; K119-N122 PolarHBondContact O-N 3.11Å; Q120-N122 VanDerWaalsContact C-N 3.31Å; Q120-N122 PolarHBondContact O-N 3.18Å; N122-K125 PolarHBondContact O-N 3.28Å; N122-E126 PolarHBondContact O-N 3.04Å |
| 123 | F | 86.3 | Confident | 87.5 | Confident | 127 Ų | 127 | 101.4 Ų | 101.4 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 177.4 | -174.8 | -112.9 | 0 | 0 | 0 | 112.6 | K119 Q120 E126 I127 | K119-F123 WeakPolarHBondContact O-CB 3.48Å; K119-F123 PolarHBondContact O-N 3.18Å; Q120-F123 PolarHBondContact O-N 2.9Å; F123-E126 PolarHBondContact O-N 3.41Å; F123-I127 HydrophobicContact CD1-CD1 3.88Å; F123-I127 HydrophobicContact CE1-CD1 3.44Å; F123-I127 VanDerWaalsContact CE1-CD1 3.44Å; F123-I127 HydrophobicContact CE2-CD1 4.35Å; F123-I127 HydrophobicContact CZ-CD1 3.72Å; F123-I127 HydrophobicContact CZ-CG1 4.46Å; F123-I127 WeakPolarHBondContact O-CG1 3.49Å; F123-I127 PolarHBondContact O-N 3.45Å |
| 124 | T | 84.4 | Confident | 87.8 | Confident | 70 Ų | 70 | 100 Ų | 100 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | Q120 E126 I127 E128 | Q120-T124 PolarHBondContact O-N 3.47Å; Q120-T124 PolarHBondContact O-OG1 3.31Å; Q120-T124 VanDerWaalsContact O-OG1 3.1Å; T124-E126 VanDerWaalsContact C-N 3.33Å; T124-E126 PolarHBondContact O-N 3.42Å; T124-I127 PolarHBondContact O-N 3.49Å; T124-E128 HydrophobicContact CG2-CG 4.43Å; T124-E128 WeakPolarHBondContact O-CG 3.41Å; T124-E128 PolarHBondContact O-N 3.3Å |
| 125 | K | 88.1 | Confident | 87.9 | Confident | 116 Ų | 116 | 98.8 Ų | 98.8 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 176.9 | -71.7 | 169.6 | -176.2 | 172.2 | 0 | 112.5 | S121 N122 I127 E128 E129 | S121-K125 WeakPolarHBondContact O-CG 3.33Å; S121-K125 PolarHBondContact O-N 2.96Å; N122-K125 PolarHBondContact O-N 3.28Å; K125-I127 VanDerWaalsContact C-N 3.33Å; K125-I127 PolarHBondContact O-N 2.99Å; K125-E128 PolarHBondContact O-N 2.94Å; K125-E129 WeakPolarHBondContact O-CB 3.32Å; K125-E129 PolarHBondContact O-N 3.22Å |
| 126 | E | 91 | Very high | 88 | Confident | 83 Ų | 83 | 101 Ų | 101 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 177.1 | -168.9 | -175.2 | 166.6 | 0 | 0 | 111.7 | N122 F123 T124 R130 | N122-E126 PolarHBondContact O-N 3.04Å; F123-E126 PolarHBondContact O-N 3.41Å; T124-E126 VanDerWaalsContact C-N 3.33Å; T124-E126 PolarHBondContact O-N 3.42Å; E126-R130 WeakPolarHBondContact O-CB 3.27Å; E126-R130 VanDerWaalsContact O-CG 3.23Å; E126-R130 WeakPolarHBondContact O-CG 3.46Å; E126-R130 PolarHBondContact O-N 2.97Å; E126-R130 IonicContact OE1-CZ 3.89Å; E126-R130 IonicContact OE1-NE 2.64Å; E126-R130 PolarHBondContact OE1-NE 3.42Å; E126-R130 IonicContact OE1-NH2 3.52Å; E126-R130 PolarHBondContact OE1-NH2 2.92Å |
| 127 | I | 83.6 | Confident | 88.3 | Confident | 71 Ų | 71 | 103 Ų | 103 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 173.7 | -71.1 | 172.5 | 0 | 0 | 0 | 111.4 | F123 T124 K125 E129 R130 L131 | F123-I127 HydrophobicContact CD1-CD1 3.88Å; F123-I127 HydrophobicContact CE1-CD1 3.44Å; F123-I127 VanDerWaalsContact CE1-CD1 3.44Å; F123-I127 HydrophobicContact CE2-CD1 4.35Å; F123-I127 HydrophobicContact CZ-CD1 3.72Å; F123-I127 HydrophobicContact CZ-CG1 4.46Å; F123-I127 WeakPolarHBondContact O-CG1 3.49Å; F123-I127 PolarHBondContact O-N 3.45Å; T124-I127 PolarHBondContact O-N 3.49Å; K125-I127 VanDerWaalsContact C-N 3.33Å; K125-I127 PolarHBondContact O-N 2.99Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 3Å; I127-R130 PolarHBondContact O-N 3.49Å; I127-L131 HydrophobicContact CG2-CD1 3.83Å; I127-L131 HydrophobicContact CG2-CG 4.28Å; I127-L131 WeakPolarHBondContact O-CB 3.41Å; I127-L131 WeakPolarHBondContact O-CG 3.35Å; I127-L131 PolarHBondContact O-N 2.96Å |
| 128 | E | 87.2 | Confident | 88.6 | Confident | 110 Ų | 110 | 105 Ų | 105 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 177.4 | -73.3 | 172.7 | 174.3 | 0 | 0 | 112.3 | T124 K125 R132 | T124-E128 HydrophobicContact CG2-CG 4.43Å; T124-E128 WeakPolarHBondContact O-CG 3.41Å; T124-E128 PolarHBondContact O-N 3.3Å; K125-E128 PolarHBondContact O-N 2.94Å; E128-R132 WeakPolarHBondContact O-CB 3.39Å; E128-R132 PolarHBondContact O-N 2.99Å |
| 129 | E | 90.3 | Very high | 88.8 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.6 | -47 | 175.9 | -172.4 | 166.8 | -156.5 | 0 | 0 | 111.6 | K125 I127 L131 R132 N133 | K125-E129 WeakPolarHBondContact O-CB 3.32Å; K125-E129 PolarHBondContact O-N 3.22Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 3Å; E129-L131 PolarHBondContact O-N 3.26Å; E129-R132 WeakPolarHBondContact O-CB 3.49Å; E129-R132 PolarHBondContact O-N 3.4Å; E129-N133 VanDerWaalsContact O-CG 3.3Å; E129-N133 PolarHBondContact O-N 3.34Å; E129-N133 PolarHBondContact O-OD1 3.07Å |
| 130 | R | 92.7 | Very high | 88.8 | Confident | 152 Ų | 152 | 102.1 Ų | 102.1 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.3 | -43.8 | 174.1 | -71.4 | 170.5 | -176 | -132.8 | -0.9 | 112.4 | E126 I127 R132 N133 I134 | E126-R130 WeakPolarHBondContact O-CB 3.27Å; E126-R130 VanDerWaalsContact O-CG 3.23Å; E126-R130 WeakPolarHBondContact O-CG 3.46Å; E126-R130 PolarHBondContact O-N 2.97Å; E126-R130 IonicContact OE1-CZ 3.89Å; E126-R130 IonicContact OE1-NE 2.64Å; E126-R130 PolarHBondContact OE1-NE 3.42Å; E126-R130 IonicContact OE1-NH2 3.52Å; E126-R130 PolarHBondContact OE1-NH2 2.92Å; I127-R130 PolarHBondContact O-N 3.49Å; R130-R132 VanDerWaalsContact C-N 3.32Å; R130-R132 PolarHBondContact O-N 3.35Å; R130-N133 PolarHBondContact O-N 2.99Å; R130-I134 VanDerWaalsContact O-CG1 3.32Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.08Å |
| 131 | L | 84.8 | Confident | 89.1 | Confident | 102 Ų | 102 | 101.4 Ų | 101.4 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 177.2 | -77.7 | 172.7 | 0 | 0 | 0 | 111.9 | I127 E129 T135 | I127-L131 HydrophobicContact CG2-CD1 3.83Å; I127-L131 HydrophobicContact CG2-CG 4.28Å; I127-L131 WeakPolarHBondContact O-CB 3.41Å; I127-L131 WeakPolarHBondContact O-CG 3.35Å; I127-L131 PolarHBondContact O-N 2.96Å; E129-L131 PolarHBondContact O-N 3.26Å; L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 PolarHBondContact O-N 3.11Å; L131-T135 PolarHBondContact O-OG1 2.92Å |
| 132 | R | 90.9 | Very high | 89.1 | Confident | 158 Ų | 158 | 103.7 Ų | 103.7 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.7 | -50.7 | 174.8 | -169.9 | -175.8 | -54.6 | -174.2 | 4.9 | 111.1 | E128 E129 R130 I134 T135 E136 | E128-R132 WeakPolarHBondContact O-CB 3.39Å; E128-R132 PolarHBondContact O-N 2.99Å; E129-R132 WeakPolarHBondContact O-CB 3.49Å; E129-R132 PolarHBondContact O-N 3.4Å; R130-R132 VanDerWaalsContact C-N 3.32Å; R130-R132 PolarHBondContact O-N 3.35Å; R132-I134 PolarHBondContact O-N 3.33Å; R132-T135 WeakPolarHBondContact O-CA 3.49Å; R132-T135 WeakPolarHBondContact O-CB 3.38Å; R132-T135 PolarHBondContact O-N 3.45Å; R132-E136 WeakPolarHBondContact CG-OE1 3.4Å; R132-E136 WeakPolarHBondContact O-CG 3.31Å; R132-E136 PolarHBondContact O-N 3.44Å |
| 133 | N | 90.7 | Very high | 89.1 | Confident | 79 Ų | 79 | 105.8 Ų | 105.8 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | -179.9 | -63 | -4.2 | 0 | 0 | 0 | 111.5 | E129 R130 T135 E136 E137 | E129-N133 VanDerWaalsContact O-CG 3.3Å; E129-N133 PolarHBondContact O-N 3.34Å; E129-N133 PolarHBondContact O-OD1 3.07Å; R130-N133 PolarHBondContact O-N 2.99Å; N133-T135 VanDerWaalsContact C-N 3.28Å; N133-T135 PolarHBondContact O-N 3.34Å; N133-E136 PolarHBondContact O-N 3.08Å; N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 2.88Å |
| 134 | I | 90.5 | Very high | 89.3 | Confident | 102 Ų | 102 | 105.8 Ų | 105.8 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 176.4 | -67.4 | 166.6 | 0 | 0 | 0 | 111.7 | R130 R132 R138 | R130-I134 VanDerWaalsContact O-CG1 3.32Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.08Å; R132-I134 PolarHBondContact O-N 3.33Å; I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 3.16Å |
| 135 | T | 89.5 | Confident | 89.3 | Confident | 56 Ų | 56 | 105.8 Ų | 105.8 | 34% | 0.344 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 176.5 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | L131 R132 N133 R138 D139 | L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 PolarHBondContact O-N 3.11Å; L131-T135 PolarHBondContact O-OG1 2.92Å; R132-T135 WeakPolarHBondContact O-CA 3.49Å; R132-T135 WeakPolarHBondContact O-CB 3.38Å; R132-T135 PolarHBondContact O-N 3.45Å; N133-T135 VanDerWaalsContact C-N 3.28Å; N133-T135 PolarHBondContact O-N 3.34Å; T135-R138 WeakPolarHBondContact O-CB 3.47Å; T135-R138 PolarHBondContact O-N 3.36Å; T135-D139 VanDerWaalsContact O-CG 3.3Å; T135-D139 PolarHBondContact O-N 2.99Å |
| 136 | E | 90.2 | Very high | 89.3 | Confident | 105 Ų | 105 | 103.1 Ų | 103.1 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.4 | -69.3 | 175.7 | -162.5 | 0 | 0 | 111.6 | R132 N133 D139 N140 | R132-E136 WeakPolarHBondContact CG-OE1 3.4Å; R132-E136 WeakPolarHBondContact O-CG 3.31Å; R132-E136 PolarHBondContact O-N 3.44Å; N133-E136 PolarHBondContact O-N 3.08Å; E136-D139 PolarHBondContact O-N 3.49Å; E136-N140 WeakPolarHBondContact O-CB 3.35Å; E136-N140 VanDerWaalsContact O-CG 3.28Å; E136-N140 PolarHBondContact O-N 3.03Å; E136-N140 PolarHBondContact O-ND2 3.44Å |
| 137 | E | 90.6 | Very high | 89.3 | Confident | 124 Ų | 124 | 103.7 Ų | 103.7 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -46.3 | 172.7 | -75.9 | 177.9 | -174.1 | 0 | 0 | 112.3 | N133 D139 N140 L141 | N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 2.88Å; E137-D139 VanDerWaalsContact C-N 3.33Å; E137-D139 PolarHBondContact O-N 2.91Å; E137-N140 PolarHBondContact O-N 3.38Å; E137-L141 WeakPolarHBondContact O-CB 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.47Å; E137-L141 PolarHBondContact O-N 3.1Å |
| 138 | R | 89.7 | Confident | 89.4 | Confident | 128 Ų | 128 | 105.4 Ų | 105.4 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.5 | -47.2 | 174.9 | 179.3 | -155.8 | 70.2 | -158.7 | -2.5 | 111.2 | I134 T135 L141 L142 | I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 3.16Å; T135-R138 WeakPolarHBondContact O-CB 3.47Å; T135-R138 PolarHBondContact O-N 3.36Å; R138-L141 PolarHBondContact O-N 3.33Å; R138-L142 HydrophobicContact CG-CD1 4.1Å; R138-L142 WeakPolarHBondContact O-CG 3.48Å; R138-L142 PolarHBondContact O-N 2.99Å |
| 139 | D | 92 | Very high | 89.3 | Confident | 68 Ų | 68 | 105.4 Ų | 105.4 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.8 | -36.7 | -175.7 | -68.8 | -16.7 | 0 | 0 | 0 | 111.9 | T135 E136 E137 L141 L142 H143 | T135-D139 VanDerWaalsContact O-CG 3.3Å; T135-D139 PolarHBondContact O-N 2.99Å; E136-D139 PolarHBondContact O-N 3.49Å; E137-D139 VanDerWaalsContact C-N 3.33Å; E137-D139 PolarHBondContact O-N 2.91Å; D139-L141 VanDerWaalsContact C-N 3.35Å; D139-L142 PolarHBondContact O-N 3.19Å; D139-H143 PolarHBondContact O-N 3.07Å |
| 140 | N | 91.7 | Very high | 89.2 | Confident | 100 Ų | 100 | 103 Ų | 103 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 169.5 | -76.3 | -47.8 | 0 | 0 | 0 | 112.5 | E136 E137 K144 | E136-N140 WeakPolarHBondContact O-CB 3.35Å; E136-N140 VanDerWaalsContact O-CG 3.28Å; E136-N140 PolarHBondContact O-N 3.03Å; E136-N140 PolarHBondContact O-ND2 3.44Å; E137-N140 PolarHBondContact O-N 3.38Å; N140-K144 WeakPolarHBondContact O-CG 3.44Å; N140-K144 PolarHBondContact O-N 3.16Å |
| 141 | L | 89.5 | Confident | 89 | Confident | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.4 | -42 | 175.2 | -73.6 | 171.3 | 0 | 0 | 0 | 112 | E137 R138 D139 H143 K144 T145 | E137-L141 WeakPolarHBondContact O-CB 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.47Å; E137-L141 PolarHBondContact O-N 3.1Å; R138-L141 PolarHBondContact O-N 3.33Å; D139-L141 VanDerWaalsContact C-N 3.35Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 3.02Å; L141-K144 PolarHBondContact O-N 3.27Å; L141-T145 PolarHBondContact O-N 3.01Å; L141-T145 PolarHBondContact O-OG1 2.98Å; L141-T145 VanDerWaalsContact O-OG1 3.08Å |
| 142 | L | 87.6 | Confident | 88.9 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 174.9 | -74.3 | 169.4 | 0 | 0 | 0 | 111.7 | R138 D139 T145 S146 | R138-L142 HydrophobicContact CG-CD1 4.1Å; R138-L142 WeakPolarHBondContact O-CG 3.48Å; R138-L142 PolarHBondContact O-N 2.99Å; D139-L142 PolarHBondContact O-N 3.19Å; L142-T145 PolarHBondContact O-N 2.7Å; L142-S146 WeakPolarHBondContact O-CB 3.49Å; L142-S146 PolarHBondContact O-N 2.97Å |
| 143 | H | 89.2 | Confident | 88.6 | Confident | 138 Ų | 138 | 98.8 Ų | 98.8 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 173.3 | -109.9 | 57.2 | 0 | 0 | 0 | 112.4 | D139 L141 S146 N147 | D139-H143 PolarHBondContact O-N 3.07Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 3.02Å; H143-S146 PolarHBondContact O-N 3.41Å; H143-N147 VanDerWaalsContact O-CG 3.32Å; H143-N147 PolarHBondContact O-N 3.48Å |
| 144 | K | 90.5 | Very high | 88.4 | Confident | 127 Ų | 127 | 98.9 Ų | 98.9 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 176.4 | -75 | 174.9 | -179.9 | -179.7 | 0 | 112.2 | N140 L141 N147 L148 | N140-K144 WeakPolarHBondContact O-CG 3.44Å; N140-K144 PolarHBondContact O-N 3.16Å; L141-K144 PolarHBondContact O-N 3.27Å; K144-N147 PolarHBondContact O-N 2.89Å; K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 3.44Å |
| 145 | T | 86.1 | Confident | 87.7 | Confident | 70 Ų | 70 | 96.7 Ų | 96.7 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | L141 L142 N147 L148 E149 | L141-T145 PolarHBondContact O-N 3.01Å; L141-T145 PolarHBondContact O-OG1 2.98Å; L141-T145 VanDerWaalsContact O-OG1 3.08Å; L142-T145 PolarHBondContact O-N 2.7Å; T145-N147 VanDerWaalsContact C-N 3.32Å; T145-N147 PolarHBondContact O-N 2.97Å; T145-L148 PolarHBondContact O-N 3.42Å; T145-L148 VanDerWaalsContact O-N 3.15Å; T145-E149 HydrophobicContact CG2-CG 4.46Å; T145-E149 WeakPolarHBondContact O-CG 3.49Å; T145-E149 PolarHBondContact O-N 3.21Å |
| 146 | S | 87.2 | Confident | 86.9 | Confident | 60 Ų | 60 | 98 Ų | 98 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 177.6 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | L142 H143 T150 | L142-S146 WeakPolarHBondContact O-CB 3.49Å; L142-S146 PolarHBondContact O-N 2.97Å; H143-S146 PolarHBondContact O-N 3.41Å; S146-T150 PolarHBondContact O-N 3.39Å; S146-T150 PolarHBondContact O-OG1 3.42Å |
| 147 | N | 90.3 | Very high | 86.4 | Confident | 94 Ų | 94 | 96.6 Ų | 96.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 173.3 | -72.5 | -14.2 | 0 | 0 | 0 | 111.7 | H143 K144 T145 T150 E151 | H143-N147 VanDerWaalsContact O-CG 3.32Å; H143-N147 PolarHBondContact O-N 3.48Å; K144-N147 PolarHBondContact O-N 2.89Å; T145-N147 VanDerWaalsContact C-N 3.32Å; T145-N147 PolarHBondContact O-N 2.97Å; N147-T150 WeakPolarHBondContact O-CB 3.45Å; N147-T150 PolarHBondContact O-N 2.9Å; N147-T150 VanDerWaalsContact O-N 3.15Å; N147-E151 PolarHBondContact O-N 3.04Å |
| 148 | L | 86.6 | Confident | 85.7 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -38.2 | 178 | -73.5 | 169.7 | 0 | 0 | 0 | 112.8 | K144 T145 T150 E151 L152 | K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 3.44Å; T145-L148 PolarHBondContact O-N 3.42Å; T145-L148 VanDerWaalsContact O-N 3.15Å; L148-T150 VanDerWaalsContact C-N 3.29Å; L148-T150 PolarHBondContact O-N 3.22Å; L148-E151 PolarHBondContact O-N 3.33Å; L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 PolarHBondContact O-N 2.96Å |
| 149 | E | 84.9 | Confident | 84.9 | Confident | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 171.6 | -73.6 | 172.7 | 173 | 0 | 0 | 111.1 | T145 L152 N153 | T145-E149 HydrophobicContact CG2-CG 4.46Å; T145-E149 WeakPolarHBondContact O-CG 3.49Å; T145-E149 PolarHBondContact O-N 3.21Å; E149-L152 PolarHBondContact O-N 2.9Å; E149-N153 WeakPolarHBondContact O-CB 3.42Å; E149-N153 VanDerWaalsContact O-CG 3.25Å; E149-N153 PolarHBondContact O-N 2.88Å; E149-N153 PolarHBondContact O-ND2 3.44Å |
| 150 | T | 87 | Confident | 84.1 | Confident | 74 Ų | 74 | 96.6 Ų | 96.6 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 177 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | S146 N147 L148 N153 I154 | S146-T150 PolarHBondContact O-N 3.39Å; S146-T150 PolarHBondContact O-OG1 3.42Å; N147-T150 WeakPolarHBondContact O-CB 3.45Å; N147-T150 PolarHBondContact O-N 2.9Å; N147-T150 VanDerWaalsContact O-N 3.15Å; L148-T150 VanDerWaalsContact C-N 3.29Å; L148-T150 PolarHBondContact O-N 3.22Å; T150-N153 PolarHBondContact O-N 2.85Å; T150-I154 HydrophobicContact CG2-CD1 4.36Å; T150-I154 WeakPolarHBondContact O-CG1 3.47Å; T150-I154 PolarHBondContact O-N 3.48Å; T150-I154 VanDerWaalsContact O-N 3.08Å |
| 151 | E | 88.5 | Confident | 83.4 | Confident | 117 Ų | 117 | 96.2 Ų | 96.2 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 175.4 | -72 | -175.7 | 168.7 | 0 | 0 | 112.2 | N147 L148 I154 A155 | N147-E151 PolarHBondContact O-N 3.04Å; L148-E151 PolarHBondContact O-N 3.33Å; E151-I154 PolarHBondContact O-N 3.15Å; E151-A155 WeakPolarHBondContact O-CB 3.45Å; E151-A155 PolarHBondContact O-N 2.97Å |
| 152 | L | 84.1 | Confident | 82.3 | Confident | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 176.1 | -179.6 | 61.9 | 0 | 0 | 0 | 111.6 | L148 E149 I154 A155 I156 | L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 PolarHBondContact O-N 2.96Å; E149-L152 PolarHBondContact O-N 2.9Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.4Å; L152-A155 WeakPolarHBondContact O-CB 3.47Å; L152-A155 PolarHBondContact O-N 3.5Å; L152-A155 VanDerWaalsContact O-N 3.11Å; L152-I156 HydrophobicContact CD1-CD1 4.4Å; L152-I156 HydrophobicContact CG-CD1 4.08Å; L152-I156 WeakPolarHBondContact O-CG1 3.4Å; L152-I156 PolarHBondContact O-N 3.42Å |
| 153 | N | 84.9 | Confident | 81.7 | Confident | 100 Ų | 100 | 92.4 Ų | 92.4 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 175.1 | -74.6 | -34.7 | 0 | 0 | 0 | 111.7 | E149 T150 A155 I156 V157 | E149-N153 WeakPolarHBondContact O-CB 3.42Å; E149-N153 VanDerWaalsContact O-CG 3.25Å; E149-N153 PolarHBondContact O-N 2.88Å; E149-N153 PolarHBondContact O-ND2 3.44Å; T150-N153 PolarHBondContact O-N 2.85Å; N153-A155 VanDerWaalsContact C-N 3.31Å; N153-A155 PolarHBondContact O-N 3.06Å; N153-I156 PolarHBondContact O-N 3.07Å; N153-V157 WeakPolarHBondContact O-CG2 3.44Å; N153-V157 PolarHBondContact O-N 3.49Å; N153-V157 VanDerWaalsContact O-N 3.08Å |
| 154 | I | 85.9 | Confident | 81.1 | Confident | 82 Ų | 82 | 90 Ų | 90 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 173.8 | -67.2 | 164.4 | 0 | 0 | 0 | 111.2 | T150 E151 L152 R158 | T150-I154 HydrophobicContact CG2-CD1 4.36Å; T150-I154 WeakPolarHBondContact O-CG1 3.47Å; T150-I154 PolarHBondContact O-N 3.48Å; T150-I154 VanDerWaalsContact O-N 3.08Å; E151-I154 PolarHBondContact O-N 3.15Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.4Å; I154-R158 VanDerWaalsContact O-CG 3.27Å; I154-R158 WeakPolarHBondContact O-CG 3.21Å; I154-R158 PolarHBondContact O-N 2.72Å; I154-R158 VanDerWaalsContact O-N 3.11Å |
| 155 | A | 75.8 | Confident | 80.2 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E151 L152 N153 G159 | E151-A155 WeakPolarHBondContact O-CB 3.45Å; E151-A155 PolarHBondContact O-N 2.97Å; L152-A155 WeakPolarHBondContact O-CB 3.47Å; L152-A155 PolarHBondContact O-N 3.5Å; L152-A155 VanDerWaalsContact O-N 3.11Å; N153-A155 VanDerWaalsContact C-N 3.31Å; N153-A155 PolarHBondContact O-N 3.06Å; A155-G159 PolarHBondContact O-N 3.08Å |
| 156 | I | 73.6 | Confident | 79.7 | Confident | 82 Ų | 82 | 91.4 Ų | 91.4 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -51 | 175 | -69.9 | 164.8 | 0 | 0 | 0 | 110.3 | L152 N153 R158 G159 E160 | L152-I156 HydrophobicContact CD1-CD1 4.4Å; L152-I156 HydrophobicContact CG-CD1 4.08Å; L152-I156 WeakPolarHBondContact O-CG1 3.4Å; L152-I156 PolarHBondContact O-N 3.42Å; N153-I156 PolarHBondContact O-N 3.07Å; I156-R158 VanDerWaalsContact C-N 3.3Å; I156-R158 PolarHBondContact O-N 2.91Å; I156-G159 WeakPolarHBondContact O-CA 3.4Å; I156-G159 PolarHBondContact O-N 3.43Å; I156-E160 PolarHBondContact O-N 3.47Å |
| 157 | V | 79.1 | Confident | 79.2 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.1 | -41.7 | 177.7 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | N153 G159 E160 D161 | N153-V157 WeakPolarHBondContact O-CG2 3.44Å; N153-V157 PolarHBondContact O-N 3.49Å; N153-V157 VanDerWaalsContact O-N 3.08Å; V157-G159 PolarHBondContact O-N 2.89Å; V157-E160 PolarHBondContact O-N 2.98Å; V157-D161 WeakPolarHBondContact O-CB 3.35Å; V157-D161 PolarHBondContact O-N 3.24Å |
| 158 | R | 75.9 | Confident | 78.5 | Confident | 167 Ų | 167 | 99.1 Ų | 99.1 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -26.3 | 173.9 | -73.5 | 172.3 | 179.4 | 178.7 | 1.9 | 113.7 | I154 I156 A162 | I154-R158 VanDerWaalsContact O-CG 3.27Å; I154-R158 WeakPolarHBondContact O-CG 3.21Å; I154-R158 PolarHBondContact O-N 2.72Å; I154-R158 VanDerWaalsContact O-N 3.11Å; I156-R158 VanDerWaalsContact C-N 3.3Å; I156-R158 PolarHBondContact O-N 2.91Å; R158-A162 WeakPolarHBondContact O-CB 3.34Å; R158-A162 PolarHBondContact O-N 3.36Å |
| 159 | G | 71.8 | Confident | 77.9 | Confident | 33 Ų | 33 | 99.1 Ų | 99.1 | 34% | 0.34 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.2 | -47.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A155 I156 V157 A162 D163 | A155-G159 PolarHBondContact O-N 3.08Å; I156-G159 WeakPolarHBondContact O-CA 3.4Å; I156-G159 PolarHBondContact O-N 3.43Å; V157-G159 PolarHBondContact O-N 2.89Å; G159-A162 WeakPolarHBondContact O-CB 3.46Å; G159-A162 PolarHBondContact O-N 3.42Å; G159-A162 VanDerWaalsContact O-N 3.11Å; G159-D163 PolarHBondContact O-N 3.25Å |
| 160 | E | 76.4 | Confident | 77.6 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.7 | -50.2 | 174.1 | -65.5 | 173 | 164.8 | 0 | 0 | 110.8 | I156 V157 A162 D163 D164 | I156-E160 PolarHBondContact O-N 3.47Å; V157-E160 PolarHBondContact O-N 2.98Å; E160-A162 PolarHBondContact O-N 3.01Å; E160-D163 PolarHBondContact O-N 3.48Å; E160-D163 VanDerWaalsContact O-N 3.11Å; E160-D164 PolarHBondContact O-N 3.37Å |
| 161 | D | 75.8 | Confident | 77.1 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -53.1 | -37.9 | 173.4 | -77 | -29.9 | 0 | 0 | 0 | 112.8 | V157 L165 | V157-D161 WeakPolarHBondContact O-CB 3.35Å; V157-D161 PolarHBondContact O-N 3.24Å; D161-L165 WeakPolarHBondContact O-CB 3.49Å; D161-L165 WeakPolarHBondContact O-CG 3.38Å; D161-L165 PolarHBondContact O-N 3Å |
| 162 | A | 66.9 | Low | 76.3 | Confident | 41 Ų | 41 | 99.1 Ų | 99.1 | 34% | 0.339 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76.8 | -30.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R158 G159 E160 K166 | R158-A162 WeakPolarHBondContact O-CB 3.34Å; R158-A162 PolarHBondContact O-N 3.36Å; G159-A162 WeakPolarHBondContact O-CB 3.46Å; G159-A162 PolarHBondContact O-N 3.42Å; G159-A162 VanDerWaalsContact O-N 3.11Å; E160-A162 PolarHBondContact O-N 3.01Å; A162-K166 WeakPolarHBondContact O-CG 3.34Å; A162-K166 PolarHBondContact O-N 2.92Å; A162-K166 VanDerWaalsContact O-N 3.11Å |
| 163 | D | 75.9 | Confident | 75.9 | Confident | 88 Ų | 88 | 99.5 Ų | 99.5 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.6 | -39.2 | 174.4 | -74.3 | -25.8 | 0 | 0 | 0 | 111.4 | G159 E160 L165 K166 E167 | G159-D163 PolarHBondContact O-N 3.25Å; E160-D163 PolarHBondContact O-N 3.48Å; E160-D163 VanDerWaalsContact O-N 3.11Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 3.46Å; D163-K166 WeakPolarHBondContact O-CB 3.41Å; D163-K166 PolarHBondContact O-N 2.9Å; D163-K166 WeakPolarHBondContact OD1-CD 3.46Å; D163-K166 WeakPolarHBondContact OD1-CE 3.38Å; D163-K166 IonicContact OD1-NZ 2.66Å; D163-K166 PolarHBondContact OD1-NZ 3.02Å; D163-E167 PolarHBondContact O-N 3.46Å |
| 164 | D | 77 | Confident | 75.5 | Confident | 87 Ų | 87 | 101.1 Ų | 101.1 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -54.9 | -44.3 | 167.7 | -108.3 | 38.2 | 0 | 0 | 0 | 111.6 | E160 E167 R168 | E160-D164 PolarHBondContact O-N 3.37Å; D164-E167 PolarHBondContact O-N 3.35Å; D164-R168 WeakPolarHBondContact O-CG 3.37Å; D164-R168 PolarHBondContact O-N 3.22Å; D164-R168 VanDerWaalsContact O-N 3.08Å |
| 165 | L | 71.3 | Confident | 74.8 | Confident | 98 Ų | 98 | 102.7 Ų | 102.7 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 174.7 | -86.3 | 165.3 | 0 | 0 | 0 | 112.2 | D161 D163 R168 L169 | D161-L165 WeakPolarHBondContact O-CB 3.49Å; D161-L165 WeakPolarHBondContact O-CG 3.38Å; D161-L165 PolarHBondContact O-N 3Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 3.46Å; L165-R168 PolarHBondContact O-N 2.86Å; L165-L169 WeakPolarHBondContact O-CB 3.26Å; L165-L169 PolarHBondContact O-N 2.79Å |
| 166 | K | 74.5 | Confident | 74.4 | Confident | 129 Ų | 129 | 104.8 Ų | 104.8 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -43.9 | 175.8 | -73.5 | 168 | -159.5 | 156.4 | 0 | 111.9 | A162 D163 L169 K170 | A162-K166 WeakPolarHBondContact O-CG 3.34Å; A162-K166 PolarHBondContact O-N 2.92Å; A162-K166 VanDerWaalsContact O-N 3.11Å; D163-K166 WeakPolarHBondContact O-CB 3.41Å; D163-K166 PolarHBondContact O-N 2.9Å; D163-K166 WeakPolarHBondContact OD1-CD 3.46Å; D163-K166 WeakPolarHBondContact OD1-CE 3.38Å; D163-K166 IonicContact OD1-NZ 2.66Å; D163-K166 PolarHBondContact OD1-NZ 3.02Å; K166-L169 PolarHBondContact O-N 3.33Å; K166-K170 WeakPolarHBondContact O-CB 3.48Å; K166-K170 PolarHBondContact O-N 3.11Å |
| 167 | E | 76.7 | Confident | 74.2 | Confident | 147 Ų | 147 | 105.7 Ų | 105.7 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.6 | -46.9 | 176.8 | -79.2 | -151.6 | 148.4 | 0 | 0 | 111.3 | D163 D164 L169 K170 A171 | D163-E167 PolarHBondContact O-N 3.46Å; D164-E167 PolarHBondContact O-N 3.35Å; E167-L169 VanDerWaalsContact C-N 3.3Å; E167-L169 PolarHBondContact O-N 2.91Å; E167-K170 WeakPolarHBondContact O-CB 3.34Å; E167-K170 PolarHBondContact O-N 3.2Å; E167-A171 PolarHBondContact O-N 3.35Å |
| 168 | R | 76.9 | Confident | 73.9 | Confident | 169 Ų | 169 | 106.6 Ų | 106.6 | 64% | 0.638 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -39 | 175.8 | -70.3 | 179.6 | -169.8 | -169.7 | 8.2 | 112.5 | D164 L165 A171 L172 | D164-R168 WeakPolarHBondContact O-CG 3.37Å; D164-R168 PolarHBondContact O-N 3.22Å; D164-R168 VanDerWaalsContact O-N 3.08Å; L165-R168 PolarHBondContact O-N 2.86Å; R168-A171 PolarHBondContact O-N 2.94Å; R168-L172 WeakPolarHBondContact O-CB 3.3Å; R168-L172 PolarHBondContact O-N 2.87Å |
| 169 | L | 74 | Confident | 73.1 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | 178 | -147.2 | 162 | 0 | 0 | 0 | 110.9 | L165 K166 E167 L172 Q173 | L165-L169 WeakPolarHBondContact O-CB 3.26Å; L165-L169 PolarHBondContact O-N 2.79Å; K166-L169 PolarHBondContact O-N 3.33Å; E167-L169 VanDerWaalsContact C-N 3.3Å; E167-L169 PolarHBondContact O-N 2.91Å; L169-L172 PolarHBondContact O-N 2.99Å; L169-Q173 HydrophobicContact CD2-CG 4.21Å; L169-Q173 WeakPolarHBondContact O-CG 3.33Å; L169-Q173 PolarHBondContact O-N 2.98Å |
| 170 | K | 78.2 | Confident | 72.5 | Confident | 153 Ų | 153 | 107.2 Ų | 107.2 | 67% | 0.665 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.5 | -48.5 | 171.6 | -121.9 | -177.2 | 178.6 | -174 | 0 | 112.2 | K166 E167 L172 Q173 E174 | K166-K170 WeakPolarHBondContact O-CB 3.48Å; K166-K170 PolarHBondContact O-N 3.11Å; E167-K170 WeakPolarHBondContact O-CB 3.34Å; E167-K170 PolarHBondContact O-N 3.2Å; K170-L172 VanDerWaalsContact C-N 3.28Å; K170-L172 PolarHBondContact O-N 3.4Å; K170-Q173 WeakPolarHBondContact O-CB 3.22Å; K170-Q173 PolarHBondContact O-N 3.46Å; K170-Q173 VanDerWaalsContact O-N 3.13Å; K170-E174 PolarHBondContact O-N 3.08Å |
| 171 | A | 75.9 | Confident | 71.7 | Confident | 47 Ų | 47 | 107.6 Ų | 107.6 | 39% | 0.388 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E167 R168 L175 | E167-A171 PolarHBondContact O-N 3.35Å; R168-A171 PolarHBondContact O-N 2.94Å; A171-L175 WeakPolarHBondContact O-CG 3.19Å; A171-L175 PolarHBondContact O-N 3.06Å |
| 172 | L | 72.6 | Confident | 70.3 | Confident | 101 Ų | 101 | 109.2 Ų | 109.2 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.1 | -36.7 | 172.8 | -128.3 | 93.5 | 0 | 0 | 0 | 112.4 | R168 L169 K170 L175 F176 | R168-L172 WeakPolarHBondContact O-CB 3.3Å; R168-L172 PolarHBondContact O-N 2.87Å; L169-L172 PolarHBondContact O-N 2.99Å; K170-L172 VanDerWaalsContact C-N 3.28Å; K170-L172 PolarHBondContact O-N 3.4Å; L172-L175 PolarHBondContact O-N 3.4Å; L172-F176 PolarHBondContact O-N 3.38Å |
| 173 | Q | 74.7 | Confident | 69 | Low | 114 Ų | 114 | 117.9 Ų | 117.9 | 53% | 0.533 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.5 | -45.8 | 173.4 | -76.9 | -179.4 | -55.9 | 0 | 0 | 111.1 | L169 K170 L175 F176 D177 | L169-Q173 HydrophobicContact CD2-CG 4.21Å; L169-Q173 WeakPolarHBondContact O-CG 3.33Å; L169-Q173 PolarHBondContact O-N 2.98Å; K170-Q173 WeakPolarHBondContact O-CB 3.22Å; K170-Q173 PolarHBondContact O-N 3.46Å; K170-Q173 VanDerWaalsContact O-N 3.13Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; Q173-L175 PolarHBondContact O-N 3.2Å; Q173-F176 CarbonylContact O-C 3.59Å; Q173-F176 PolarHBondContact O-N 2.86Å; Q173-F176 VanDerWaalsContact O-N 3.07Å; Q173-D177 PolarHBondContact O-N 3.42Å |
| 174 | E | 76.1 | Confident | 67.2 | Low | 134 Ų | 134 | 117.9 Ų | 117.9 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -57.4 | -41.9 | 172.3 | -89.6 | -177.3 | 151.3 | 0 | 0 | 112 | K170 D177 N178 | K170-E174 PolarHBondContact O-N 3.08Å; E174-D177 PolarHBondContact O-N 2.75Å; E174-N178 WeakPolarHBondContact O-CB 3.43Å; E174-N178 PolarHBondContact O-N 2.96Å; E174-N178 PolarHBondContact O-ND2 2.6Å |
| 175 | L | 72.9 | Confident | 65.4 | Low | 115 Ų | 115 | 123.1 Ų | 123.1 | 60% | 0.602 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.9 | -39.3 | 174.1 | -75.1 | 171.8 | 0 | 0 | 0 | 112.4 | A171 L172 Q173 L179 | A171-L175 WeakPolarHBondContact O-CG 3.19Å; A171-L175 PolarHBondContact O-N 3.06Å; L172-L175 PolarHBondContact O-N 3.4Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; Q173-L175 PolarHBondContact O-N 3.2Å; L175-L179 WeakPolarHBondContact O-CB 3.5Å; L175-L179 PolarHBondContact O-N 3.01Å |
| 176 | F | 66.5 | Low | 63.8 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.1 | -43.7 | 175.4 | -105.5 | -75.9 | 0 | 0 | 0 | 112.5 | L172 Q173 N178 L179 V180 F199 | L172-F176 PolarHBondContact O-N 3.38Å; Q173-F176 CarbonylContact O-C 3.59Å; Q173-F176 PolarHBondContact O-N 2.86Å; Q173-F176 VanDerWaalsContact O-N 3.07Å; F176-N178 VanDerWaalsContact C-N 3.33Å; F176-N178 PolarHBondContact O-N 3.15Å; F176-L179 PolarHBondContact O-N 3.01Å; F176-L179 VanDerWaalsContact O-N 3.16Å; F176-V180 WeakPolarHBondContact O-CB 3.37Å; F176-V180 VanDerWaalsContact O-CG2 3.27Å; F176-V180 WeakPolarHBondContact O-CG2 3.47Å; F176-V180 PolarHBondContact O-N 2.98Å; F176-F199 HydrophobicContact CZ-CE1 4.5Å; F176-F199 HydrophobicContact CZ-CZ 4.22Å |
| 177 | D | 69.9 | Low | 62 | Low | 101 Ų | 101 | 123.8 Ų | 123.8 | 54% | 0.54 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 177.3 | -71.8 | -26 | 0 | 0 | 0 | 110.6 | Q173 E174 V180 N181 | Q173-D177 PolarHBondContact O-N 3.42Å; E174-D177 PolarHBondContact O-N 2.75Å; D177-V180 PolarHBondContact O-N 2.85Å; D177-N181 WeakPolarHBondContact O-CB 3.4Å; D177-N181 PolarHBondContact O-N 3.48Å; D177-N181 PolarHBondContact O-ND2 3.37Å |
| 178 | N | 71.4 | Confident | 60.3 | Low | 95 Ų | 95 | 120.6 Ų | 120.6 | 51% | 0.508 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.7 | -46.3 | 170 | -73.6 | -42 | 0 | 0 | 0 | 111.8 | E174 F176 V180 N181 D182 | E174-N178 WeakPolarHBondContact O-CB 3.43Å; E174-N178 PolarHBondContact O-N 2.96Å; E174-N178 PolarHBondContact O-ND2 2.6Å; F176-N178 VanDerWaalsContact C-N 3.33Å; F176-N178 PolarHBondContact O-N 3.15Å; N178-V180 VanDerWaalsContact C-N 3.32Å; N178-V180 PolarHBondContact O-N 2.87Å; N178-N181 PolarHBondContact O-N 3.35Å; N178-D182 WeakPolarHBondContact O-CB 3.3Å; N178-D182 PolarHBondContact O-N 3.49Å |
| 179 | L | 59.6 | Low | 58.8 | Low | 128 Ų | 128 | 120.8 Ų | 120.8 | 67% | 0.67 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.8 | -30.7 | 179.7 | -145.2 | 93.3 | 0 | 0 | 0 | 113.3 | L175 F176 D182 | L175-L179 WeakPolarHBondContact O-CB 3.5Å; L175-L179 PolarHBondContact O-N 3.01Å; F176-L179 PolarHBondContact O-N 3.01Å; F176-L179 VanDerWaalsContact O-N 3.16Å; L179-D182 CarbonylContact O-C 3.59Å |
| 180 | V | 59.6 | Low | 57.7 | Low | 85 Ų | 85 | 120.2 Ų | 120.2 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -76.1 | -33.8 | 175.9 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | F176 D177 N178 R183 | F176-V180 WeakPolarHBondContact O-CB 3.37Å; F176-V180 VanDerWaalsContact O-CG2 3.27Å; F176-V180 WeakPolarHBondContact O-CG2 3.47Å; F176-V180 PolarHBondContact O-N 2.98Å; D177-V180 PolarHBondContact O-N 2.85Å; N178-V180 VanDerWaalsContact C-N 3.32Å; N178-V180 PolarHBondContact O-N 2.87Å; V180-R183 WeakPolarHBondContact O-CG 3.4Å |
| 181 | N | 60.1 | Low | 56.1 | Low | 128 Ų | 128 | 114.7 Ų | 114.7 | 68% | 0.684 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.3 | -37.6 | 171.7 | -71.6 | -34.7 | 0 | 0 | 0 | 111.7 | D177 N178 R183 | D177-N181 WeakPolarHBondContact O-CB 3.4Å; D177-N181 PolarHBondContact O-N 3.48Å; D177-N181 PolarHBondContact O-ND2 3.37Å; N178-N181 PolarHBondContact O-N 3.35Å; N181-R183 PolarHBondContact O-N 2.92Å |
| 182 | D | 45.7 | Very low | 54.6 | Low | 126 Ų | 126 | 117.2 Ų | 117.2 | 67% | 0.674 | 63% | 0.625 | S | S | * | * | trans | -76.3 | 50 | 171.7 | -80.2 | -16.5 | 0 | 0 | 0 | 112.6 | N178 L179 S184 | N178-D182 WeakPolarHBondContact O-CB 3.3Å; N178-D182 PolarHBondContact O-N 3.49Å; L179-D182 CarbonylContact O-C 3.59Å; D182-S184 PolarHBondContact O-N 2.9Å | ||
| 183 | R | 39.1 | Very low | 54.1 | Low | 223 Ų | 223 | 115.1 Ų | 115.1 | 84% | 0.842 | 62% | 0.622 | S | S | * | * | trans | -65.9 | 80 | 167.6 | -97.2 | -179 | 171.1 | -155 | -0.7 | 111 | V180 N181 | V180-R183 WeakPolarHBondContact O-CG 3.4Å; N181-R183 PolarHBondContact O-N 2.92Å | ||
| 184 | S | 39.5 | Very low | 53.4 | Low | 89 Ų | 89 | 112.7 Ų | 112.7 | 62% | 0.622 | 62% | 0.621 | S | S | * | * | trans | -89.5 | 131.3 | 163.3 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | D182 T186 | D182-S184 PolarHBondContact O-N 2.9Å; S184-T186 PolarHBondContact O-N 3.21Å | ||
| 185 | E | 38.7 | Very low | 52.3 | Low | 197 Ų | 197 | 108 Ų | 108 | 92% | 0.921 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -78 | 48.2 | -171.3 | -62.1 | -175.5 | 130.9 | 0 | 0 | 114 | ||
| 186 | T | 37.1 | Very low | 51.7 | Low | 122 Ų | 122 | 107.3 Ų | 107.3 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | trans | -141.6 | 61.5 | 178.9 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | S184 | S184-T186 PolarHBondContact O-N 3.21Š| ||
| 187 | T | 37.3 | Very low | 51.7 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 73% | 0.73 | 61% | 0.614 | S | S | * | * | trans | -106 | 112.9 | 166.3 | 41.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 188 | S | 41.4 | Very low | 51.7 | Low | 80 Ų | 80 | 111.2 Ų | 111.2 | 56% | 0.559 | 61% | 0.614 | S | S | * | * | trans | -78 | 154.6 | 178.7 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | S190 G191 L192 | S188-S190 PolarHBondContact O-N 3.5Å; S188-G191 PolarHBondContact O-N 3.42Å; S188-L192 PolarHBondContact O-N 3.02Å | ||
| 189 | E | 43.8 | Very low | 51.4 | Low | 172 Ų | 172 | 112 Ų | 112 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.1 | -27 | -178.5 | -65.5 | 179.9 | 131.3 | 0 | 0 | 113.4 | L192 A193 | E189-L192 PolarHBondContact O-N 2.88Å; E189-A193 PolarHBondContact O-N 2.9Å |
| 190 | S | 51.1 | Low | 52.1 | Low | 95 Ų | 95 | 112.8 Ų | 112.8 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.7 | -42.4 | 172.2 | -176.2 | 0 | 0 | 0 | 0 | 112.8 | S188 A193 A194 | S188-S190 PolarHBondContact O-N 3.5Å; S190-A193 PolarHBondContact O-N 3.23Å; S190-A194 PolarHBondContact O-N 3.45Å; S190-A194 VanDerWaalsContact O-N 3.1Å |
| 191 | G | 44.5 | Very low | 52.8 | Low | 38 Ų | 38 | 111.6 Ų | 111.6 | 39% | 0.392 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.1 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S188 A194 A195 | S188-G191 PolarHBondContact O-N 3.42Å; G191-A194 PolarHBondContact O-N 2.84Å; G191-A195 WeakPolarHBondContact O-CB 3.42Å; G191-A195 PolarHBondContact O-N 3.01Å |
| 192 | L | 45.9 | Very low | 53.3 | Low | 100 Ų | 100 | 108.9 Ų | 108.9 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.4 | -37.6 | 174.5 | -80.4 | 164.8 | 0 | 0 | 0 | 112.5 | S188 E189 N196 | S188-L192 PolarHBondContact O-N 3.02Å; E189-L192 PolarHBondContact O-N 2.88Å; L192-N196 WeakPolarHBondContact O-CB 3.27Å; L192-N196 PolarHBondContact O-N 3.24Å |
| 193 | A | 61.6 | Low | 54.5 | Low | 57 Ų | 57 | 108 Ų | 108 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65 | -47.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E189 S190 A195 N196 E197 | E189-A193 PolarHBondContact O-N 2.9Å; S190-A193 PolarHBondContact O-N 3.23Å; A193-A195 PolarHBondContact O-N 3.49Å; A193-N196 PolarHBondContact O-N 3.01Å; A193-E197 PolarHBondContact O-N 3.46Å |
| 194 | A | 60.6 | Low | 56.3 | Low | 62 Ų | 62 | 99.5 Ų | 99.5 | 51% | 0.512 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S190 G191 E197 Y198 | S190-A194 PolarHBondContact O-N 3.45Å; S190-A194 VanDerWaalsContact O-N 3.1Å; G191-A194 PolarHBondContact O-N 2.84Å; A194-E197 PolarHBondContact O-N 3Å; A194-Y198 WeakPolarHBondContact O-CB 3.49Å; A194-Y198 PolarHBondContact O-N 3.31Å |
| 195 | A | 52.4 | Low | 58 | Low | 37 Ų | 37 | 100.5 Ų | 100.5 | 31% | 0.306 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G191 A193 Y198 F199 | G191-A195 WeakPolarHBondContact O-CB 3.42Å; G191-A195 PolarHBondContact O-N 3.01Å; A193-A195 PolarHBondContact O-N 3.49Å; A195-Y198 PolarHBondContact O-N 3.38Å; A195-F199 HydrophobicContact CB-CD2 4.48Å; A195-F199 HydrophobicContact CB-CE2 4.39Å; A195-F199 WeakPolarHBondContact O-CD2 3.39Å; A195-F199 PolarHBondContact O-N 2.93Å |
| 196 | N | 59.5 | Low | 59.4 | Low | 99 Ų | 99 | 93.7 Ų | 93.7 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.2 | -91.1 | -31.6 | 0 | 0 | 0 | 113.2 | L192 A193 K200 | L192-N196 WeakPolarHBondContact O-CB 3.27Å; L192-N196 PolarHBondContact O-N 3.24Å; A193-N196 PolarHBondContact O-N 3.01Å; N196-K200 WeakPolarHBondContact O-CB 3.5Å; N196-K200 WeakPolarHBondContact O-CG 3.32Å; N196-K200 PolarHBondContact O-N 3.18Å |
| 197 | E | 67.8 | Low | 61.2 | Low | 146 Ų | 146 | 92.8 Ų | 92.8 | 68% | 0.682 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -45.4 | 171.2 | -78.3 | -101 | 119.4 | 0 | 0 | 111 | A193 A194 K200 S201 | A193-E197 PolarHBondContact O-N 3.46Å; A194-E197 PolarHBondContact O-N 3Å; E197-K200 PolarHBondContact O-N 3.32Å; E197-S201 WeakPolarHBondContact O-CB 3.4Å; E197-S201 PolarHBondContact O-N 2.93Å |
| 198 | Y | 68.2 | Low | 63.3 | Low | 138 Ų | 138 | 92.2 Ų | 92.2 | 54% | 0.541 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 176.6 | -178.3 | -96.8 | 0 | 0 | 0 | 112.1 | A194 A195 K200 S201 E202 | A194-Y198 WeakPolarHBondContact O-CB 3.49Å; A194-Y198 PolarHBondContact O-N 3.31Å; A195-Y198 PolarHBondContact O-N 3.38Å; Y198-K200 VanDerWaalsContact C-N 3.34Å; Y198-K200 PolarHBondContact O-N 2.94Å; Y198-S201 WeakPolarHBondContact O-CB 3.46Å; Y198-S201 PolarHBondContact O-N 3.42Å; Y198-E202 PolarHBondContact O-N 3.41Å |
| 199 | F | 65.6 | Low | 65 | Low | 110 Ų | 110 | 95.9 Ų | 95.9 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.4 | -76.8 | -60 | 0 | 0 | 0 | 112.8 | F176 A195 E202 Q203 | F176-F199 HydrophobicContact CZ-CE1 4.5Å; F176-F199 HydrophobicContact CZ-CZ 4.22Å; A195-F199 HydrophobicContact CB-CD2 4.48Å; A195-F199 HydrophobicContact CB-CE2 4.39Å; A195-F199 WeakPolarHBondContact O-CD2 3.39Å; A195-F199 PolarHBondContact O-N 2.93Å; F199-E202 PolarHBondContact O-N 2.96Å; F199-Q203 WeakPolarHBondContact O-CB 3.4Å; F199-Q203 PolarHBondContact O-N 3.37Å |
| 200 | K | 74.4 | Confident | 66.4 | Low | 146 Ų | 146 | 91.7 Ų | 91.7 | 64% | 0.635 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.7 | -41.6 | 172.8 | -78.2 | 179 | 178 | 180 | 0 | 112.4 | N196 E197 Y198 A204 | N196-K200 WeakPolarHBondContact O-CB 3.5Å; N196-K200 WeakPolarHBondContact O-CG 3.32Å; N196-K200 PolarHBondContact O-N 3.18Å; E197-K200 PolarHBondContact O-N 3.32Å; Y198-K200 VanDerWaalsContact C-N 3.34Å; Y198-K200 PolarHBondContact O-N 2.94Å; K200-A204 WeakPolarHBondContact O-CB 3.47Å; K200-A204 PolarHBondContact O-N 3.21Å |
| 201 | S | 74.5 | Confident | 67.7 | Low | 60 Ų | 60 | 89.7 Ų | 89.7 | 42% | 0.42 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.6 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | E197 Y198 A204 K205 | E197-S201 WeakPolarHBondContact O-CB 3.4Å; E197-S201 PolarHBondContact O-N 2.93Å; Y198-S201 WeakPolarHBondContact O-CB 3.46Å; Y198-S201 PolarHBondContact O-N 3.42Å; S201-A204 PolarHBondContact O-N 3.11Å; S201-K205 WeakPolarHBondContact O-CG 3.46Å; S201-K205 PolarHBondContact O-N 2.88Å |
| 202 | E | 70.4 | Confident | 69.4 | Low | 70 Ų | 70 | 93.3 Ų | 93.3 | 33% | 0.327 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.2 | -32.6 | -178.5 | -134.2 | 62.1 | -170 | 0 | 0 | 112.7 | Y198 F199 K205 S206 | Y198-E202 PolarHBondContact O-N 3.41Å; F199-E202 PolarHBondContact O-N 2.96Å; E202-K205 VanDerWaalsContact CD-NZ 3.3Å; E202-K205 PolarHBondContact O-N 3.44Å; E202-K205 IonicContact OE1-NZ 3.11Å; E202-K205 PolarHBondContact OE1-NZ 3.36Å; E202-K205 VanDerWaalsContact OE1-NZ 3.11Å; E202-K205 WeakPolarHBondContact OE2-CD 3.43Å; E202-K205 VanDerWaalsContact OE2-CE 3.31Å; E202-K205 WeakPolarHBondContact OE2-CE 3.46Å; E202-K205 IonicContact OE2-NZ 3.74Å; E202-K205 PolarHBondContact OE2-NZ 2.86Å; E202-S206 WeakPolarHBondContact O-CB 3.37Å; E202-S206 PolarHBondContact O-N 2.92Å |
| 203 | Q | 70.4 | Confident | 70.8 | Confident | 107 Ų | 107 | 93.8 Ų | 93.8 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 166.7 | -178.5 | 179.3 | -12 | 0 | 0 | 110.3 | F199 K205 S206 E207 | F199-Q203 WeakPolarHBondContact O-CB 3.4Å; F199-Q203 PolarHBondContact O-N 3.37Å; Q203-K205 PolarHBondContact O-N 3.22Å; Q203-S206 CarbonylContact O-C 3.53Å; Q203-S206 WeakPolarHBondContact O-CA 3.33Å; Q203-S206 WeakPolarHBondContact O-CB 3.48Å; Q203-S206 PolarHBondContact O-N 2.98Å; Q203-S206 PolarHBondContact O-OG 3.14Å; Q203-E207 HydrophobicContact CG-CG 4.43Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.44Å; Q203-E207 PolarHBondContact NE2-OE1 2.76Å; Q203-E207 WeakPolarHBondContact O-CG 3.39Å; Q203-E207 PolarHBondContact O-N 3.16Å |
| 204 | A | 78.3 | Confident | 71.8 | Confident | 45 Ų | 45 | 97.8 Ų | 97.8 | 37% | 0.372 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K200 S201 E207 N208 | K200-A204 WeakPolarHBondContact O-CB 3.47Å; K200-A204 PolarHBondContact O-N 3.21Å; S201-A204 PolarHBondContact O-N 3.11Å; A204-E207 PolarHBondContact O-N 3.44Å; A204-N208 PolarHBondContact O-N 3.35Å |
| 205 | K | 74.5 | Confident | 73.1 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 170.9 | -70.7 | -176.7 | -157.1 | 155.3 | 0 | 112.2 | S201 E202 Q203 E207 N208 R209 | S201-K205 WeakPolarHBondContact O-CG 3.46Å; S201-K205 PolarHBondContact O-N 2.88Å; E202-K205 VanDerWaalsContact CD-NZ 3.3Å; E202-K205 PolarHBondContact O-N 3.44Å; E202-K205 IonicContact OE1-NZ 3.11Å; E202-K205 PolarHBondContact OE1-NZ 3.36Å; E202-K205 VanDerWaalsContact OE1-NZ 3.11Å; E202-K205 WeakPolarHBondContact OE2-CD 3.43Å; E202-K205 VanDerWaalsContact OE2-CE 3.31Å; E202-K205 WeakPolarHBondContact OE2-CE 3.46Å; E202-K205 IonicContact OE2-NZ 3.74Å; E202-K205 PolarHBondContact OE2-NZ 2.86Å; Q203-K205 PolarHBondContact O-N 3.22Å; K205-E207 VanDerWaalsContact C-N 3.35Å; K205-N208 PolarHBondContact O-N 3.22Å; K205-R209 WeakPolarHBondContact O-CB 3.41Å; K205-R209 PolarHBondContact O-N 3.13Å |
| 206 | S | 68.4 | Low | 74.5 | Confident | 55 Ų | 55 | 103.9 Ų | 103.9 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 177.5 | 81.3 | 0 | 0 | 0 | 0 | 111.6 | E202 Q203 R209 I210 | E202-S206 WeakPolarHBondContact O-CB 3.37Å; E202-S206 PolarHBondContact O-N 2.92Å; Q203-S206 CarbonylContact O-C 3.53Å; Q203-S206 WeakPolarHBondContact O-CA 3.33Å; Q203-S206 WeakPolarHBondContact O-CB 3.48Å; Q203-S206 PolarHBondContact O-N 2.98Å; Q203-S206 PolarHBondContact O-OG 3.14Å; S206-R209 PolarHBondContact O-N 3.44Å; S206-I210 WeakPolarHBondContact O-CB 3.25Å; S206-I210 WeakPolarHBondContact O-CD1 3.36Å; S206-I210 WeakPolarHBondContact O-CG1 3.43Å; S206-I210 PolarHBondContact O-N 3.4Å |
| 207 | E | 75 | Confident | 75.5 | Confident | 103 Ų | 103 | 104.4 Ų | 104.4 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 176.4 | -72.8 | 172.9 | -176.1 | 0 | 0 | 111.5 | Q203 A204 K205 I210 A211 | Q203-E207 HydrophobicContact CG-CG 4.43Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.44Å; Q203-E207 PolarHBondContact NE2-OE1 2.76Å; Q203-E207 WeakPolarHBondContact O-CG 3.39Å; Q203-E207 PolarHBondContact O-N 3.16Å; A204-E207 PolarHBondContact O-N 3.44Å; K205-E207 VanDerWaalsContact C-N 3.35Å; E207-I210 PolarHBondContact O-N 3.38Å; E207-A211 PolarHBondContact O-N 2.83Å |
| 208 | N | 80.1 | Confident | 76.3 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 57% | 0.567 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 171.5 | -76.1 | -18.8 | 0 | 0 | 0 | 111.9 | A204 K205 I210 A211 E212 | A204-N208 PolarHBondContact O-N 3.35Å; K205-N208 PolarHBondContact O-N 3.22Å; N208-I210 VanDerWaalsContact C-N 3.3Å; N208-I210 PolarHBondContact O-N 3.27Å; N208-A211 WeakPolarHBondContact O-CA 3.37Å; N208-A211 WeakPolarHBondContact O-CB 3.44Å; N208-A211 PolarHBondContact O-N 3.21Å; N208-E212 PolarHBondContact O-N 3.16Å |
| 209 | R | 77.9 | Confident | 77.1 | Confident | 158 Ų | 158 | 95.4 Ų | 95.4 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.1 | -31 | 179 | -165.1 | 146.6 | 179.7 | 155 | -2.7 | 112.7 | K205 S206 A211 L213 | K205-R209 WeakPolarHBondContact O-CB 3.41Å; K205-R209 PolarHBondContact O-N 3.13Å; S206-R209 PolarHBondContact O-N 3.44Å; R209-A211 VanDerWaalsContact C-N 3.35Å; R209-L213 WeakPolarHBondContact O-CB 3.4Å; R209-L213 VanDerWaalsContact O-CG 3.24Å; R209-L213 WeakPolarHBondContact O-CG 3.44Å; R209-L213 PolarHBondContact O-N 2.74Å |
| 210 | I | 73.4 | Confident | 77.8 | Confident | 84 Ų | 84 | 95 Ų | 95 | 43% | 0.431 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -34.6 | 169.6 | -72.2 | 164 | 0 | 0 | 0 | 111.1 | S206 E207 N208 K214 | S206-I210 WeakPolarHBondContact O-CB 3.25Å; S206-I210 WeakPolarHBondContact O-CD1 3.36Å; S206-I210 WeakPolarHBondContact O-CG1 3.43Å; S206-I210 PolarHBondContact O-N 3.4Å; E207-I210 PolarHBondContact O-N 3.38Å; N208-I210 VanDerWaalsContact C-N 3.3Å; N208-I210 PolarHBondContact O-N 3.27Å; I210-K214 HydrophobicContact CG2-CD 4.3Å; I210-K214 VanDerWaalsContact O-CG 3.27Å; I210-K214 WeakPolarHBondContact O-CG 3.38Å; I210-K214 PolarHBondContact O-N 3.35Å; I210-K214 VanDerWaalsContact O-N 3.09Å |
| 211 | A | 79.1 | Confident | 78.2 | Confident | 53 Ų | 53 | 92.7 Ų | 92.7 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.9 | -47.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E207 N208 R209 L213 K214 E215 | E207-A211 PolarHBondContact O-N 2.83Å; N208-A211 WeakPolarHBondContact O-CA 3.37Å; N208-A211 WeakPolarHBondContact O-CB 3.44Å; N208-A211 PolarHBondContact O-N 3.21Å; R209-A211 VanDerWaalsContact C-N 3.35Å; A211-L213 VanDerWaalsContact C-N 3.34Å; A211-L213 PolarHBondContact O-N 3.37Å; A211-K214 WeakPolarHBondContact O-CB 3.36Å; A211-K214 PolarHBondContact O-N 3.44Å; A211-K214 VanDerWaalsContact O-N 3.09Å; A211-E215 PolarHBondContact O-N 2.83Å |
| 212 | E | 79.5 | Confident | 78.8 | Confident | 114 Ų | 114 | 96.3 Ų | 96.3 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.3 | -46.9 | 173.5 | -69.2 | 168.8 | -177 | 0 | 0 | 111.5 | N208 K214 E215 V216 | N208-E212 PolarHBondContact O-N 3.16Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.43Å; E212-E215 PolarHBondContact O-N 3.16Å; E212-V216 WeakPolarHBondContact O-CG2 3.44Å; E212-V216 PolarHBondContact O-N 3.43Å |
| 213 | L | 75.2 | Confident | 79.5 | Confident | 110 Ų | 110 | 98.6 Ų | 98.6 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.5 | -31.8 | 177.6 | -74 | 170.6 | 0 | 0 | 0 | 113 | R209 A211 K217 | R209-L213 WeakPolarHBondContact O-CB 3.4Å; R209-L213 VanDerWaalsContact O-CG 3.24Å; R209-L213 WeakPolarHBondContact O-CG 3.44Å; R209-L213 PolarHBondContact O-N 2.74Å; A211-L213 VanDerWaalsContact C-N 3.34Å; A211-L213 PolarHBondContact O-N 3.37Å; L213-K217 VanDerWaalsContact O-CB 3.23Å; L213-K217 WeakPolarHBondContact O-CB 3.44Å; L213-K217 PolarHBondContact O-N 2.87Å |
| 214 | K | 83.4 | Confident | 79.9 | Confident | 140 Ų | 140 | 98.4 Ų | 98.4 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.1 | -39.3 | 173.1 | -76.6 | 168.4 | -179.4 | 174.8 | 0 | 112 | I210 A211 E212 K217 S218 | I210-K214 HydrophobicContact CG2-CD 4.3Å; I210-K214 VanDerWaalsContact O-CG 3.27Å; I210-K214 WeakPolarHBondContact O-CG 3.38Å; I210-K214 PolarHBondContact O-N 3.35Å; I210-K214 VanDerWaalsContact O-N 3.09Å; A211-K214 WeakPolarHBondContact O-CB 3.36Å; A211-K214 PolarHBondContact O-N 3.44Å; A211-K214 VanDerWaalsContact O-N 3.09Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.43Å; K214-K217 PolarHBondContact O-N 2.85Å; K214-S218 PolarHBondContact O-N 3.45Å |
| 215 | E | 86.4 | Confident | 80.2 | Confident | 143 Ų | 143 | 102.8 Ų | 102.8 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -50.3 | 175.5 | -173.3 | 173 | -175.1 | 0 | 0 | 110.8 | A211 E212 K217 S218 G219 | A211-E215 PolarHBondContact O-N 2.83Å; E212-E215 PolarHBondContact O-N 3.16Å; E215-K217 VanDerWaalsContact C-N 3.31Å; E215-K217 PolarHBondContact O-N 3.25Å; E215-S218 PolarHBondContact O-N 3.47Å; E215-S218 PolarHBondContact O-OG 3.32Å; E215-G219 PolarHBondContact O-N 2.92Å |
| 216 | V | 83.5 | Confident | 80.8 | Confident | 85 Ų | 85 | 103.2 Ų | 103.2 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | E212 S218 G219 L220 | E212-V216 WeakPolarHBondContact O-CG2 3.44Å; E212-V216 PolarHBondContact O-N 3.43Å; V216-S218 PolarHBondContact O-N 2.94Å; V216-G219 PolarHBondContact O-N 3.26Å; V216-L220 HydrophobicContact CG1-CD1 4.16Å; V216-L220 WeakPolarHBondContact O-CG 3.22Å; V216-L220 PolarHBondContact O-N 2.93Å |
| 217 | K | 80.2 | Confident | 81.4 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 48% | 0.478 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 174.1 | -176.7 | -176.7 | 175.6 | -84.6 | 0 | 111.4 | L213 K214 E215 G219 L220 E221 | L213-K217 VanDerWaalsContact O-CB 3.23Å; L213-K217 WeakPolarHBondContact O-CB 3.44Å; L213-K217 PolarHBondContact O-N 2.87Å; K214-K217 PolarHBondContact O-N 2.85Å; E215-K217 VanDerWaalsContact C-N 3.31Å; E215-K217 PolarHBondContact O-N 3.25Å; K217-G219 PolarHBondContact O-N 3.35Å; K217-L220 PolarHBondContact O-N 3.31Å; K217-E221 WeakPolarHBondContact CE-OE1 3.32Å; K217-E221 HydrophobicContact CG-CG 4.45Å; K217-E221 IonicContact NZ-OE1 3.4Å; K217-E221 PolarHBondContact NZ-OE1 3.37Å; K217-E221 IonicContact NZ-OE2 2.81Å; K217-E221 PolarHBondContact NZ-OE2 2.97Å; K217-E221 WeakPolarHBondContact O-CG 3.05Å; K217-E221 PolarHBondContact O-N 3.44Å |
| 218 | S | 84.6 | Confident | 81.7 | Confident | 59 Ų | 59 | 103.6 Ų | 103.6 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | -179.4 | 74 | 0 | 0 | 0 | 0 | 113 | K214 E215 V216 E221 Q222 | K214-S218 PolarHBondContact O-N 3.45Å; E215-S218 PolarHBondContact O-N 3.47Å; E215-S218 PolarHBondContact O-OG 3.32Å; V216-S218 PolarHBondContact O-N 2.94Å; S218-E221 PolarHBondContact O-N 3.24Å; S218-Q222 PolarHBondContact O-N 3.37Å |
| 219 | G | 83.5 | Confident | 82 | Confident | 36 Ų | 36 | 102 Ų | 102 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.8 | -36.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | E215 V216 K217 K223 | E215-G219 PolarHBondContact O-N 2.92Å; V216-G219 PolarHBondContact O-N 3.26Å; K217-G219 PolarHBondContact O-N 3.35Å; G219-K223 WeakPolarHBondContact O-CB 3.34Å; G219-K223 PolarHBondContact O-N 2.94Å |
| 220 | L | 80.7 | Confident | 82.2 | Confident | 100 Ų | 100 | 98.7 Ų | 98.7 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 171.8 | -70.4 | 171.8 | 0 | 0 | 0 | 111.9 | V216 K217 K223 I224 | V216-L220 HydrophobicContact CG1-CD1 4.16Å; V216-L220 WeakPolarHBondContact O-CG 3.22Å; V216-L220 PolarHBondContact O-N 2.93Å; K217-L220 PolarHBondContact O-N 3.31Å; L220-K223 PolarHBondContact O-N 2.78Å; L220-I224 WeakPolarHBondContact O-CB 3.5Å; L220-I224 WeakPolarHBondContact O-CD1 3.48Å; L220-I224 VanDerWaalsContact O-CG1 3.24Å; L220-I224 WeakPolarHBondContact O-CG1 3.37Å; L220-I224 PolarHBondContact O-N 3.14Å |
| 221 | E | 82.2 | Confident | 82.7 | Confident | 99 Ų | 99 | 100.9 Ų | 100.9 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.2 | -73.6 | 177.1 | 139 | 0 | 0 | 111.5 | K217 S218 K223 I224 E225 | K217-E221 WeakPolarHBondContact CE-OE1 3.32Å; K217-E221 HydrophobicContact CG-CG 4.45Å; K217-E221 IonicContact NZ-OE1 3.4Å; K217-E221 PolarHBondContact NZ-OE1 3.37Å; K217-E221 IonicContact NZ-OE2 2.81Å; K217-E221 PolarHBondContact NZ-OE2 2.97Å; K217-E221 WeakPolarHBondContact O-CG 3.05Å; K217-E221 PolarHBondContact O-N 3.44Å; S218-E221 PolarHBondContact O-N 3.24Å; E221-K223 PolarHBondContact O-N 2.99Å; E221-I224 PolarHBondContact O-N 3.46Å; E221-E225 PolarHBondContact O-N 2.95Å; E221-E225 VanDerWaalsContact O-N 3.1Å |
| 222 | Q | 88.2 | Confident | 83.2 | Confident | 135 Ų | 135 | 105 Ų | 105 | 63% | 0.631 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.8 | -47 | 171.2 | -84.5 | -174.7 | -24.1 | 0 | 0 | 112.3 | S218 I224 E225 E226 | S218-Q222 PolarHBondContact O-N 3.37Å; Q222-I224 VanDerWaalsContact C-N 3.32Å; Q222-I224 PolarHBondContact O-N 3.46Å; Q222-E225 WeakPolarHBondContact O-CA 3.48Å; Q222-E225 WeakPolarHBondContact O-CB 3.23Å; Q222-E225 PolarHBondContact O-N 3.01Å; Q222-E226 PolarHBondContact O-N 3.25Å |
| 223 | K | 85.9 | Confident | 83.6 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.5 | -30.8 | -176.8 | -165.4 | 146.1 | -174.5 | 171.7 | 0 | 113.2 | G219 L220 E221 E225 L227 | G219-K223 WeakPolarHBondContact O-CB 3.34Å; G219-K223 PolarHBondContact O-N 2.94Å; L220-K223 PolarHBondContact O-N 2.78Å; E221-K223 PolarHBondContact O-N 2.99Å; K223-E225 VanDerWaalsContact C-N 3.34Å; K223-L227 WeakPolarHBondContact O-CB 3.29Å; K223-L227 VanDerWaalsContact O-CG 3.29Å; K223-L227 WeakPolarHBondContact O-CG 3.37Å; K223-L227 PolarHBondContact O-N 2.86Å |
| 224 | I | 78.4 | Confident | 83.9 | Confident | 103 Ų | 103 | 105 Ų | 105 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 169.8 | -71.6 | 164.5 | 0 | 0 | 0 | 110.6 | L220 E221 Q222 C228 | L220-I224 WeakPolarHBondContact O-CB 3.5Å; L220-I224 WeakPolarHBondContact O-CD1 3.48Å; L220-I224 VanDerWaalsContact O-CG1 3.24Å; L220-I224 WeakPolarHBondContact O-CG1 3.37Å; L220-I224 PolarHBondContact O-N 3.14Å; E221-I224 PolarHBondContact O-N 3.46Å; Q222-I224 VanDerWaalsContact C-N 3.32Å; Q222-I224 PolarHBondContact O-N 3.46Å; I224-C228 WeakPolarHBondContact O-CB 3.37Å; I224-C228 PolarHBondContact O-N 3.47Å; I224-C228 PolarHBondContact O-SG 2.95Å |
| 225 | E | 85.1 | Confident | 83.8 | Confident | 137 Ų | 137 | 102.8 Ų | 102.8 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.7 | -39.8 | 178.7 | -165.3 | 157.3 | -142.5 | 0 | 0 | 112.2 | E221 Q222 K223 C228 C229 | E221-E225 PolarHBondContact O-N 2.95Å; E221-E225 VanDerWaalsContact O-N 3.1Å; Q222-E225 WeakPolarHBondContact O-CA 3.48Å; Q222-E225 WeakPolarHBondContact O-CB 3.23Å; Q222-E225 PolarHBondContact O-N 3.01Å; K223-E225 VanDerWaalsContact C-N 3.34Å; E225-C228 WeakPolarHBondContact O-CB 3.4Å; E225-C228 PolarHBondContact O-N 3.03Å; E225-C229 PolarHBondContact O-N 2.88Å; E225-C229 PolarHBondContact O-SG 2.91Å |
| 226 | E | 86.5 | Confident | 83.9 | Confident | 120 Ų | 120 | 102.3 Ų | 102.3 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57 | -53.8 | 168.8 | -70.5 | 177.5 | 164.1 | 0 | 0 | 111.6 | Q222 C228 C229 D230 | Q222-E226 PolarHBondContact O-N 3.25Å; E226-C228 PolarHBondContact O-N 3.4Å; E226-C229 WeakPolarHBondContact O-CA 3.31Å; E226-C229 WeakPolarHBondContact O-CB 3.42Å; E226-C229 PolarHBondContact O-N 3.25Å; E226-D230 PolarHBondContact O-N 3.05Å |
| 227 | L | 79.9 | Confident | 84 | Confident | 106 Ų | 106 | 103.1 Ų | 103.1 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -30.3 | 177.7 | -72.1 | 170.1 | 0 | 0 | 0 | 112.9 | K223 K231 | K223-L227 WeakPolarHBondContact O-CB 3.29Å; K223-L227 VanDerWaalsContact O-CG 3.29Å; K223-L227 WeakPolarHBondContact O-CG 3.37Å; K223-L227 PolarHBondContact O-N 2.86Å; L227-K231 VanDerWaalsContact O-CB 3.31Å; L227-K231 WeakPolarHBondContact O-CB 3.48Å; L227-K231 PolarHBondContact O-N 2.99Å |
| 228 | C | 82.3 | Confident | 84 | Confident | 60 Ų | 60 | 103 Ų | 103 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.3 | -29.2 | 172.8 | -74 | 0 | 0 | 0 | 0 | 112.9 | I224 E225 E226 K232 | I224-C228 WeakPolarHBondContact O-CB 3.37Å; I224-C228 PolarHBondContact O-N 3.47Å; I224-C228 PolarHBondContact O-SG 2.95Å; E225-C228 WeakPolarHBondContact O-CB 3.4Å; E225-C228 PolarHBondContact O-N 3.03Å; E226-C228 PolarHBondContact O-N 3.4Å; C228-K232 WeakPolarHBondContact O-CG 3.24Å; C228-K232 PolarHBondContact O-N 3Å |
| 229 | C | 85.9 | Confident | 84.1 | Confident | 71 Ų | 71 | 105.8 Ų | 105.8 | 48% | 0.48 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.3 | -47.8 | 172.4 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | E225 E226 K231 K232 Q233 | E225-C229 PolarHBondContact O-N 2.88Å; E225-C229 PolarHBondContact O-SG 2.91Å; E226-C229 WeakPolarHBondContact O-CA 3.31Å; E226-C229 WeakPolarHBondContact O-CB 3.42Å; E226-C229 PolarHBondContact O-N 3.25Å; C229-K231 VanDerWaalsContact C-N 3.31Å; C229-K231 PolarHBondContact O-N 3.36Å; C229-K232 WeakPolarHBondContact O-CB 3.35Å; C229-K232 PolarHBondContact O-N 3.31Å; C229-K232 VanDerWaalsContact O-N 3.07Å; C229-Q233 PolarHBondContact O-N 3.3Å |
| 230 | D | 83.2 | Confident | 84.4 | Confident | 89 Ų | 89 | 109.8 Ų | 109.8 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -55.8 | -45.1 | 175.3 | -74.9 | -2.5 | 0 | 0 | 0 | 111.7 | E226 K232 Q233 L234 | E226-D230 PolarHBondContact O-N 3.05Å; D230-K232 VanDerWaalsContact C-N 3.34Å; D230-K232 PolarHBondContact O-N 2.83Å; D230-Q233 PolarHBondContact O-N 3.39Å; D230-L234 WeakPolarHBondContact O-CG 3.44Å; D230-L234 PolarHBondContact O-N 3.21Å |
| 231 | K | 83.7 | Confident | 84.4 | Confident | 131 Ų | 131 | 109.6 Ų | 109.6 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.1 | -43.5 | 175.9 | 179.3 | -179 | 173.3 | -177.6 | 0 | 112.4 | L227 C229 L234 Q235 | L227-K231 VanDerWaalsContact O-CB 3.31Å; L227-K231 WeakPolarHBondContact O-CB 3.48Å; L227-K231 PolarHBondContact O-N 2.99Å; C229-K231 VanDerWaalsContact C-N 3.31Å; C229-K231 PolarHBondContact O-N 3.36Å; K231-L234 PolarHBondContact O-N 3.37Å; K231-Q235 WeakPolarHBondContact O-CG 3.3Å; K231-Q235 PolarHBondContact O-N 2.62Å |
| 232 | K | 89.5 | Confident | 84.5 | Confident | 140 Ų | 140 | 110 Ų | 110 | 61% | 0.609 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 177.5 | -73.9 | 169.4 | -177.5 | 171.6 | 0 | 111.1 | C228 C229 D230 Q235 M236 | C228-K232 WeakPolarHBondContact O-CG 3.24Å; C228-K232 PolarHBondContact O-N 3Å; C229-K232 WeakPolarHBondContact O-CB 3.35Å; C229-K232 PolarHBondContact O-N 3.31Å; C229-K232 VanDerWaalsContact O-N 3.07Å; D230-K232 VanDerWaalsContact C-N 3.34Å; D230-K232 PolarHBondContact O-N 2.83Å; K232-Q235 PolarHBondContact O-N 3.17Å; K232-M236 WeakPolarHBondContact O-CG 3.35Å; K232-M236 PolarHBondContact O-N 3.03Å |
| 233 | Q | 88 | Confident | 84.5 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 178.5 | -172.2 | 170 | -7.9 | 0 | 0 | 111.9 | C229 D230 M236 Q237 | C229-Q233 PolarHBondContact O-N 3.3Å; D230-Q233 PolarHBondContact O-N 3.39Å; Q233-M236 PolarHBondContact O-N 3Å; Q233-Q237 WeakPolarHBondContact O-CG 3.28Å; Q233-Q237 PolarHBondContact O-N 3.24Å |
| 234 | L | 79.9 | Confident | 84.5 | Confident | 102 Ų | 102 | 106.4 Ų | 106.4 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 173.2 | -71.9 | 168.9 | 0 | 0 | 0 | 112.5 | D230 K231 Q237 L238 | D230-L234 WeakPolarHBondContact O-CG 3.44Å; D230-L234 PolarHBondContact O-N 3.21Å; K231-L234 PolarHBondContact O-N 3.37Å; L234-Q237 PolarHBondContact O-N 2.9Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 PolarHBondContact O-N 3.48Å |
| 235 | Q | 82.6 | Confident | 84.4 | Confident | 95 Ų | 95 | 108.9 Ų | 108.9 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.2 | -78.4 | -173.2 | -99.8 | 0 | 0 | 112 | K231 K232 Q237 L238 E239 | K231-Q235 WeakPolarHBondContact O-CG 3.3Å; K231-Q235 PolarHBondContact O-N 2.62Å; K232-Q235 PolarHBondContact O-N 3.17Å; Q235-Q237 VanDerWaalsContact C-N 3.33Å; Q235-Q237 PolarHBondContact O-N 2.65Å; Q235-L238 PolarHBondContact O-N 3.04Å; Q235-E239 WeakPolarHBondContact O-CG 3.45Å; Q235-E239 PolarHBondContact O-N 2.82Å |
| 236 | M | 88.3 | Confident | 84.6 | Confident | 132 Ų | 132 | 108.8 Ų | 108.8 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 175.7 | -69.8 | -180 | 65.1 | 0 | 0 | 112.5 | K232 Q233 Q240 | K232-M236 WeakPolarHBondContact O-CG 3.35Å; K232-M236 PolarHBondContact O-N 3.03Å; Q233-M236 PolarHBondContact O-N 3Å; M236-Q240 WeakPolarHBondContact O-CB 3.42Å; M236-Q240 PolarHBondContact O-N 2.97Å |
| 237 | Q | 85.2 | Confident | 84.7 | Confident | 102 Ų | 102 | 107.4 Ų | 107.4 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 174.6 | -74 | 178.2 | -25.8 | 0 | 0 | 112.3 | Q233 L234 Q235 Q240 Q241 | Q233-Q237 WeakPolarHBondContact O-CG 3.28Å; Q233-Q237 PolarHBondContact O-N 3.24Å; L234-Q237 PolarHBondContact O-N 2.9Å; Q235-Q237 VanDerWaalsContact C-N 3.33Å; Q235-Q237 PolarHBondContact O-N 2.65Å; Q237-Q240 PolarHBondContact O-N 3.26Å; Q237-Q241 WeakPolarHBondContact O-CB 3.47Å; Q237-Q241 VanDerWaalsContact O-CG 3.3Å; Q237-Q241 WeakPolarHBondContact O-CG 3.36Å; Q237-Q241 PolarHBondContact O-N 3.47Å |
| 238 | L | 81.1 | Confident | 84.6 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 176.3 | -176.4 | 64.6 | 0 | 0 | 0 | 111.9 | L234 Q235 Q241 L242 | L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 PolarHBondContact O-N 3.48Å; Q235-L238 PolarHBondContact O-N 3.04Å; L238-Q241 PolarHBondContact O-N 3.26Å; L238-L242 HydrophobicContact CG-CD1 4.45Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 2.89Å |
| 239 | E | 86.4 | Confident | 84.8 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.6 | -46.2 | 173.1 | -74.8 | 171.7 | -178.4 | 0 | 0 | 110.8 | Q235 Q241 L242 D243 | Q235-E239 WeakPolarHBondContact O-CG 3.45Å; Q235-E239 PolarHBondContact O-N 2.82Å; E239-Q241 PolarHBondContact O-N 3.42Å; E239-L242 PolarHBondContact O-N 2.82Å; E239-D243 WeakPolarHBondContact O-CB 3.23Å; E239-D243 PolarHBondContact O-N 3.32Å |
| 240 | Q | 89.3 | Confident | 84.9 | Confident | 119 Ų | 119 | 108.4 Ų | 108.4 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 175.8 | -175.2 | 179.2 | -15.8 | 0 | 0 | 112.8 | M236 Q237 D243 E244 | M236-Q240 WeakPolarHBondContact O-CB 3.42Å; M236-Q240 PolarHBondContact O-N 2.97Å; Q237-Q240 PolarHBondContact O-N 3.26Å; Q240-D243 VanDerWaalsContact O-CB 3.3Å; Q240-D243 WeakPolarHBondContact O-CB 3.39Å; Q240-D243 PolarHBondContact O-N 3.02Å; Q240-E244 PolarHBondContact NE2-OE1 2.99Å; Q240-E244 WeakPolarHBondContact O-CG 3.39Å; Q240-E244 PolarHBondContact O-N 3.49Å |
| 241 | Q | 81.1 | Confident | 85 | Confident | 97 Ų | 97 | 110.3 Ų | 110.3 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.6 | -77.2 | -91.6 | -63.2 | 0 | 0 | 111.7 | Q237 L238 E239 D243 E244 Y245 | Q237-Q241 WeakPolarHBondContact O-CB 3.47Å; Q237-Q241 VanDerWaalsContact O-CG 3.3Å; Q237-Q241 WeakPolarHBondContact O-CG 3.36Å; Q237-Q241 PolarHBondContact O-N 3.47Å; L238-Q241 PolarHBondContact O-N 3.26Å; E239-Q241 PolarHBondContact O-N 3.42Å; Q241-D243 VanDerWaalsContact C-N 3.32Å; Q241-D243 PolarHBondContact O-N 2.91Å; Q241-E244 PolarHBondContact O-N 3.5Å; Q241-E244 VanDerWaalsContact O-N 3.11Å; Q241-Y245 WeakPolarHBondContact O-CD2 3.34Å; Q241-Y245 PolarHBondContact O-N 2.85Å |
| 242 | L | 85 | Confident | 84.7 | Confident | 106 Ų | 106 | 107.2 Ų | 107.2 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -42.1 | 176.6 | -70.5 | 168 | 0 | 0 | 0 | 111.5 | L238 E239 E244 Y245 E246 | L238-L242 HydrophobicContact CG-CD1 4.45Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 2.89Å; E239-L242 PolarHBondContact O-N 2.82Å; L242-E244 VanDerWaalsContact C-N 3.25Å; L242-E244 PolarHBondContact O-N 3.18Å; L242-Y245 PolarHBondContact O-N 3.47Å; L242-E246 PolarHBondContact O-N 3.32Å |
| 243 | D | 88.4 | Confident | 84.5 | Confident | 85 Ų | 85 | 103.2 Ų | 103.2 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -32.3 | 173.4 | -122.2 | 57.9 | 0 | 0 | 0 | 113 | E239 Q240 Q241 K247 | E239-D243 WeakPolarHBondContact O-CB 3.23Å; E239-D243 PolarHBondContact O-N 3.32Å; Q240-D243 VanDerWaalsContact O-CB 3.3Å; Q240-D243 WeakPolarHBondContact O-CB 3.39Å; Q240-D243 PolarHBondContact O-N 3.02Å; Q241-D243 VanDerWaalsContact C-N 3.32Å; Q241-D243 PolarHBondContact O-N 2.91Å; D243-K247 WeakPolarHBondContact O-CD 3.5Å; D243-K247 WeakPolarHBondContact O-CG 3.31Å; D243-K247 PolarHBondContact O-N 2.92Å; D243-K247 PolarHBondContact O-NZ 3.03Å; D243-K247 IonicContact OD2-NZ 3.77Å; D243-K247 PolarHBondContact OD2-NZ 2.91Å |
| 244 | E | 85.5 | Confident | 84.3 | Confident | 94 Ų | 94 | 102 Ų | 102 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.6 | -38.7 | 176 | -74.7 | 172.8 | -165.8 | 0 | 0 | 111.7 | Q240 Q241 L242 K247 L248 | Q240-E244 PolarHBondContact NE2-OE1 2.99Å; Q240-E244 WeakPolarHBondContact O-CG 3.39Å; Q240-E244 PolarHBondContact O-N 3.49Å; Q241-E244 PolarHBondContact O-N 3.5Å; Q241-E244 VanDerWaalsContact O-N 3.11Å; L242-E244 VanDerWaalsContact C-N 3.25Å; L242-E244 PolarHBondContact O-N 3.18Å; E244-K247 PolarHBondContact O-N 3.41Å; E244-L248 WeakPolarHBondContact O-CB 3.46Å; E244-L248 PolarHBondContact O-N 3.44Å |
| 245 | Y | 76.6 | Confident | 83.8 | Confident | 154 Ų | 154 | 102.1 Ų | 102.1 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 172.6 | -86.3 | -70.4 | 0 | 0 | 0 | 112.4 | Q241 L242 L248 G249 | Q241-Y245 WeakPolarHBondContact O-CD2 3.34Å; Q241-Y245 PolarHBondContact O-N 2.85Å; L242-Y245 PolarHBondContact O-N 3.47Å; Y245-L248 WeakPolarHBondContact O-CB 3.45Å; Y245-L248 PolarHBondContact O-N 3.32Å; Y245-G249 PolarHBondContact O-N 3.47Å |
| 246 | E | 88.5 | Confident | 83.4 | Confident | 136 Ų | 136 | 102.7 Ų | 102.7 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -49 | 176.8 | -172.2 | 167.8 | -148.1 | 0 | 0 | 111.1 | L242 L248 G249 E250 | L242-E246 PolarHBondContact O-N 3.32Å; E246-L248 PolarHBondContact O-N 2.91Å; E246-G249 CarbonylContact O-C 3.57Å; E246-G249 WeakPolarHBondContact O-CA 3.43Å; E246-G249 PolarHBondContact O-N 3.43Å; E246-E250 PolarHBondContact O-N 2.91Å |
| 247 | K | 88.6 | Confident | 83 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 39% | 0.391 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -30.6 | 173.8 | -69.1 | 172.1 | -164.6 | 102.5 | 0 | 113 | D243 E244 K251 | D243-K247 WeakPolarHBondContact O-CD 3.5Å; D243-K247 WeakPolarHBondContact O-CG 3.31Å; D243-K247 PolarHBondContact O-N 2.92Å; D243-K247 PolarHBondContact O-NZ 3.03Å; D243-K247 IonicContact OD2-NZ 3.77Å; D243-K247 PolarHBondContact OD2-NZ 2.91Å; E244-K247 PolarHBondContact O-N 3.41Å; K247-K251 WeakPolarHBondContact O-CD 3.41Å; K247-K251 VanDerWaalsContact O-CG 3.27Å; K247-K251 WeakPolarHBondContact O-CG 3.45Å; K247-K251 PolarHBondContact O-N 3.05Å |
| 248 | L | 78.1 | Confident | 82.5 | Confident | 94 Ų | 94 | 101.9 Ų | 101.9 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.3 | -40.3 | 174 | -163.9 | 70.1 | 0 | 0 | 0 | 111 | E244 Y245 E246 K251 C252 | E244-L248 WeakPolarHBondContact O-CB 3.46Å; E244-L248 PolarHBondContact O-N 3.44Å; Y245-L248 WeakPolarHBondContact O-CB 3.45Å; Y245-L248 PolarHBondContact O-N 3.32Å; E246-L248 PolarHBondContact O-N 2.91Å; L248-K251 PolarHBondContact O-N 2.99Å; L248-C252 PolarHBondContact O-N 3.2Å; L248-C252 PolarHBondContact O-SG 2.89Å; L248-C252 VanDerWaalsContact O-SG 3.35Å |
| 249 | G | 85.1 | Confident | 81.9 | Confident | 41 Ų | 41 | 102.1 Ų | 102.1 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y245 E246 K251 C252 A253 | Y245-G249 PolarHBondContact O-N 3.47Å; E246-G249 CarbonylContact O-C 3.57Å; E246-G249 WeakPolarHBondContact O-CA 3.43Å; E246-G249 PolarHBondContact O-N 3.43Å; G249-K251 PolarHBondContact O-N 2.9Å; G249-C252 PolarHBondContact O-N 3.43Å; G249-A253 WeakPolarHBondContact O-CB 3.48Å; G249-A253 PolarHBondContact O-N 3.05Å |
| 250 | E | 88.3 | Confident | 81.2 | Confident | 123 Ų | 123 | 102 Ų | 102 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | 174.5 | -68.6 | -173.7 | 146.2 | 0 | 0 | 112.6 | E246 A253 T254 | E246-E250 PolarHBondContact O-N 2.91Å; E250-A253 PolarHBondContact O-N 2.67Å; E250-T254 WeakPolarHBondContact O-CB 3.39Å; E250-T254 PolarHBondContact O-N 3.02Å; E250-T254 PolarHBondContact O-OG1 3.2Å |
| 251 | K | 85.8 | Confident | 80.3 | Confident | 130 Ų | 130 | 103 Ų | 103 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 175.7 | -73.4 | 166.5 | -173.4 | 169.5 | 0 | 111.6 | K247 L248 G249 T254 L255 | K247-K251 WeakPolarHBondContact O-CD 3.41Å; K247-K251 VanDerWaalsContact O-CG 3.27Å; K247-K251 WeakPolarHBondContact O-CG 3.45Å; K247-K251 PolarHBondContact O-N 3.05Å; L248-K251 PolarHBondContact O-N 2.99Å; G249-K251 PolarHBondContact O-N 2.9Å; K251-T254 PolarHBondContact O-N 3.37Å; K251-L255 WeakPolarHBondContact O-CG 3.44Å; K251-L255 PolarHBondContact O-N 3.02Å |
| 252 | C | 77 | Confident | 79.4 | Confident | 65 Ų | 65 | 103.6 Ų | 103.6 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 175.3 | -72 | 0 | 0 | 0 | 0 | 111.4 | L248 G249 T254 L255 E256 | L248-C252 PolarHBondContact O-N 3.2Å; L248-C252 PolarHBondContact O-SG 2.89Å; L248-C252 VanDerWaalsContact O-SG 3.35Å; G249-C252 PolarHBondContact O-N 3.43Å; C252-T254 VanDerWaalsContact C-N 3.3Å; C252-T254 PolarHBondContact O-N 3.3Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-L255 VanDerWaalsContact O-N 3.16Å; C252-E256 PolarHBondContact O-N 3.44Å |
| 253 | A | 85.3 | Confident | 78.2 | Confident | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G249 E250 E256 A257 | G249-A253 WeakPolarHBondContact O-CB 3.48Å; G249-A253 PolarHBondContact O-N 3.05Å; E250-A253 PolarHBondContact O-N 2.67Å; A253-E256 PolarHBondContact O-N 3.35Å; A253-A257 WeakPolarHBondContact O-CB 3.47Å; A253-A257 PolarHBondContact O-N 3.43Å |
| 254 | T | 83.5 | Confident | 76.7 | Confident | 95 Ų | 95 | 101.2 Ų | 101.2 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 174.8 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | E250 K251 C252 A257 R258 | E250-T254 WeakPolarHBondContact O-CB 3.39Å; E250-T254 PolarHBondContact O-N 3.02Å; E250-T254 PolarHBondContact O-OG1 3.2Å; K251-T254 PolarHBondContact O-N 3.37Å; C252-T254 VanDerWaalsContact C-N 3.3Å; C252-T254 PolarHBondContact O-N 3.3Å; T254-A257 PolarHBondContact O-N 2.91Å; T254-R258 WeakPolarHBondContact O-CB 3.46Å; T254-R258 PolarHBondContact O-N 2.68Å |
| 255 | L | 69.8 | Low | 75 | Confident | 104 Ų | 104 | 100 Ų | 100 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 174.8 | -75.4 | 169.7 | 0 | 0 | 0 | 111.6 | K251 C252 R258 I259 | K251-L255 WeakPolarHBondContact O-CG 3.44Å; K251-L255 PolarHBondContact O-N 3.02Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-L255 VanDerWaalsContact O-N 3.16Å; L255-R258 PolarHBondContact O-N 3Å; L255-I259 WeakPolarHBondContact O-CB 3.35Å; L255-I259 VanDerWaalsContact O-CG1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.3Å; L255-I259 PolarHBondContact O-N 3.47Å |
| 256 | E | 75.4 | Confident | 73.4 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 173.7 | -79.3 | -168.4 | -157.4 | 0 | 0 | 112.7 | C252 A253 R258 I259 K260 | C252-E256 PolarHBondContact O-N 3.44Å; A253-E256 PolarHBondContact O-N 3.35Å; E256-R258 VanDerWaalsContact C-N 3.3Å; E256-R258 PolarHBondContact O-N 2.87Å; E256-I259 PolarHBondContact O-N 3.38Å; E256-K260 WeakPolarHBondContact O-CB 3.44Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.49Å; E256-K260 PolarHBondContact O-N 3.05Å; E256-K260 IonicContact OE2-NZ 2.62Å; E256-K260 PolarHBondContact OE2-NZ 3.28Å |
| 257 | A | 78.8 | Confident | 71.4 | Confident | 52 Ų | 52 | 101.2 Ų | 101.2 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A253 T254 K260 E261 | A253-A257 WeakPolarHBondContact O-CB 3.47Å; A253-A257 PolarHBondContact O-N 3.43Å; T254-A257 PolarHBondContact O-N 2.91Å; A257-K260 WeakPolarHBondContact O-CB 3.36Å; A257-K260 PolarHBondContact O-N 3.43Å; A257-E261 PolarHBondContact O-N 2.72Å |
| 258 | R | 74.7 | Confident | 69.3 | Low | 166 Ų | 166 | 107.8 Ų | 107.8 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.1 | -36.5 | 177.3 | -163.1 | 173.9 | -173.1 | 171 | 2.3 | 113 | T254 L255 E256 E261 M262 | T254-R258 WeakPolarHBondContact O-CB 3.46Å; T254-R258 PolarHBondContact O-N 2.68Å; L255-R258 PolarHBondContact O-N 3Å; E256-R258 VanDerWaalsContact C-N 3.3Å; E256-R258 PolarHBondContact O-N 2.87Å; R258-E261 PolarHBondContact O-N 2.84Å; R258-M262 WeakPolarHBondContact O-CB 3.42Å; R258-M262 VanDerWaalsContact O-CG 3.3Å; R258-M262 WeakPolarHBondContact O-CG 3.47Å; R258-M262 PolarHBondContact O-N 2.99Å |
| 259 | I | 68.1 | Low | 67.5 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.2 | -42 | 172.4 | -70.9 | 163.3 | 0 | 0 | 0 | 110.4 | L255 E256 M262 A263 | L255-I259 WeakPolarHBondContact O-CB 3.35Å; L255-I259 VanDerWaalsContact O-CG1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.3Å; L255-I259 PolarHBondContact O-N 3.47Å; E256-I259 PolarHBondContact O-N 3.38Å; I259-M262 PolarHBondContact O-N 3.45Å; I259-A263 WeakPolarHBondContact O-CB 3.49Å; I259-A263 PolarHBondContact O-N 3.31Å |
| 260 | K | 72.1 | Confident | 65 | Low | 116 Ų | 116 | 114.6 Ų | 114.6 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.5 | -42.6 | 173.5 | -73.8 | 160.6 | -179.3 | 152.5 | 0 | 111.1 | E256 A257 A263 H264 | E256-K260 WeakPolarHBondContact O-CB 3.44Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.49Å; E256-K260 PolarHBondContact O-N 3.05Å; E256-K260 IonicContact OE2-NZ 2.62Å; E256-K260 PolarHBondContact OE2-NZ 3.28Å; A257-K260 WeakPolarHBondContact O-CB 3.36Å; A257-K260 PolarHBondContact O-N 3.43Å; K260-A263 PolarHBondContact O-N 3.04Å; K260-H264 WeakPolarHBondContact O-CB 3.32Å; K260-H264 PolarHBondContact O-CD2 2.98Å; K260-H264 VanDerWaalsContact O-CG 3.26Å; K260-H264 PolarHBondContact O-N 3.47Å |
| 261 | E | 70.2 | Confident | 62.3 | Low | 139 Ų | 139 | 112.6 Ų | 112.6 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63 | -42 | 173.1 | -77.4 | -166.6 | 147 | 0 | 0 | 112.7 | A257 R258 H264 S265 | A257-E261 PolarHBondContact O-N 2.72Å; R258-E261 PolarHBondContact O-N 2.84Å; E261-H264 CarbonylContact O-C 3.56Å; E261-H264 PolarHBondContact O-N 3.04Å; E261-H264 VanDerWaalsContact O-N 3.13Å; E261-S265 PolarHBondContact O-N 3.36Å; E261-S265 PolarHBondContact O-OG 3.36Å |
| 262 | M | 62.4 | Low | 59.9 | Low | 110 Ų | 110 | 109 Ų | 109 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.1 | -45.4 | 174.1 | -74.8 | 177 | 59.6 | 0 | 0 | 111.6 | R258 I259 H264 S265 E266 | R258-M262 WeakPolarHBondContact O-CB 3.42Å; R258-M262 VanDerWaalsContact O-CG 3.3Å; R258-M262 WeakPolarHBondContact O-CG 3.47Å; R258-M262 PolarHBondContact O-N 2.99Å; I259-M262 PolarHBondContact O-N 3.45Å; M262-H264 PolarHBondContact O-N 3.32Å; M262-S265 WeakPolarHBondContact CA-OG 3.37Å; M262-S265 PolarHBondContact O-N 3.24Å; M262-S265 PolarHBondContact O-OG 3.22Å; M262-S265 VanDerWaalsContact O-OG 3.06Å; M262-E266 WeakPolarHBondContact O-CB 3.38Å; M262-E266 WeakPolarHBondContact O-CG 3.48Å; M262-E266 PolarHBondContact O-N 3.21Å |
| 263 | A | 60.2 | Low | 57.9 | Low | 38 Ų | 38 | 114.7 Ų | 114.7 | 31% | 0.314 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67 | -14.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I259 K260 R267 | I259-A263 WeakPolarHBondContact O-CB 3.49Å; I259-A263 PolarHBondContact O-N 3.31Å; K260-A263 PolarHBondContact O-N 3.04Å; A263-R267 PolarHBondContact O-NE 2.78Å |
| 264 | H | 56.2 | Low | 55.7 | Low | 103 Ų | 103 | 120 Ų | 120 | 48% | 0.477 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -92.9 | -34.6 | 171.5 | -74.1 | -43.9 | 0 | 0 | 0 | 112.9 | K260 E261 M262 R267 R268 | K260-H264 WeakPolarHBondContact O-CB 3.32Å; K260-H264 PolarHBondContact O-CD2 2.98Å; K260-H264 VanDerWaalsContact O-CG 3.26Å; K260-H264 PolarHBondContact O-N 3.47Å; E261-H264 CarbonylContact O-C 3.56Å; E261-H264 PolarHBondContact O-N 3.04Å; E261-H264 VanDerWaalsContact O-N 3.13Å; M262-H264 PolarHBondContact O-N 3.32Å; H264-R267 PolarHBondContact O-N 2.93Å; H264-R268 PolarHBondContact O-N 3.32Å; H264-R268 VanDerWaalsContact O-N 3.1Å |
| 265 | S | 49.6 | Very low | 53.6 | Low | 68 Ų | 68 | 118.9 Ų | 118.9 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.7 | -40.5 | 175.8 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | E261 M262 R267 R268 Y269 | E261-S265 PolarHBondContact O-N 3.36Å; E261-S265 PolarHBondContact O-OG 3.36Å; M262-S265 WeakPolarHBondContact CA-OG 3.37Å; M262-S265 PolarHBondContact O-N 3.24Å; M262-S265 PolarHBondContact O-OG 3.22Å; M262-S265 VanDerWaalsContact O-OG 3.06Å; S265-R267 VanDerWaalsContact C-N 3.27Å; S265-R267 PolarHBondContact O-N 3.06Å; S265-R268 PolarHBondContact O-N 3.2Å; S265-Y269 PolarHBondContact O-N 2.96Å; S265-Y269 VanDerWaalsContact O-N 3.16Å |
| 266 | E | 44 | Very low | 52.2 | Low | 143 Ų | 143 | 117.4 Ų | 117.4 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -56.9 | -40.2 | 167 | -75.4 | -174.1 | 147 | 0 | 0 | 111.4 | M262 R268 Y269 G270 | M262-E266 WeakPolarHBondContact O-CB 3.38Å; M262-E266 WeakPolarHBondContact O-CG 3.48Å; M262-E266 PolarHBondContact O-N 3.21Å; E266-R268 VanDerWaalsContact C-N 3.32Å; E266-R268 PolarHBondContact O-N 3.13Å; E266-Y269 PolarHBondContact O-N 2.91Å; E266-G270 VanDerWaalsContact O-CA 3.32Å; E266-G270 WeakPolarHBondContact O-CA 3.33Å; E266-G270 PolarHBondContact O-N 3.38Å |
| 267 | R | 46.2 | Very low | 50.8 | Low | 173 Ų | 173 | 122.4 Ų | 122.4 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.2 | -22.3 | 175.5 | -92.7 | -168.5 | -81.5 | -172.9 | -9 | 114.9 | A263 H264 S265 | A263-R267 PolarHBondContact O-NE 2.78Å; H264-R267 PolarHBondContact O-N 2.93Å; S265-R267 VanDerWaalsContact C-N 3.27Å; S265-R267 PolarHBondContact O-N 3.06Å |
| 268 | R | 44.2 | Very low | 49.5 | Very low | 228 Ų | 228 | 125.6 Ų | 125.6 | 86% | 0.86 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -83 | -29.8 | 174.6 | -72.8 | -166.7 | -172.2 | -169.4 | 5.7 | 113.4 | H264 S265 E266 | H264-R268 PolarHBondContact O-N 3.32Å; H264-R268 VanDerWaalsContact O-N 3.1Å; S265-R268 PolarHBondContact O-N 3.2Å; E266-R268 VanDerWaalsContact C-N 3.32Å; E266-R268 PolarHBondContact O-N 3.13Å |
| 269 | Y | 41.2 | Very low | 48.5 | Very low | 227 Ų | 227 | 122.8 Ų | 122.8 | 89% | 0.89 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -95.2 | -20.4 | 175.2 | -95.4 | -86.7 | 0 | 0 | 0 | 114.2 | S265 E266 | S265-Y269 PolarHBondContact O-N 2.96Å; S265-Y269 VanDerWaalsContact O-N 3.16Å; E266-Y269 PolarHBondContact O-N 2.91Å |
| 270 | G | 32.7 | Very low | 47.9 | Very low | 52 Ų | 52 | 119.2 Ų | 119.2 | 54% | 0.536 | 65% | 0.647 | S | S | . | * | trans | -104.1 | 45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | E266 G272 | E266-G270 VanDerWaalsContact O-CA 3.32Å; E266-G270 WeakPolarHBondContact O-CA 3.33Å; E266-G270 PolarHBondContact O-N 3.38Å; G270-G272 PolarHBondContact O-N 2.87Å | ||
| 271 | G | 31.8 | Very low | 47.4 | Very low | 81 Ų | 81 | 116.3 Ų | 116.3 | 84% | 0.835 | 64% | 0.64 | S | S | * | * | trans | -69.7 | 54.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 272 | G | 33.6 | Very low | 47 | Very low | 53 Ų | 53 | 115.6 Ų | 115.6 | 55% | 0.546 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -169.6 | 101.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G270 L274 | G270-G272 PolarHBondContact O-N 2.87Å; G272-L274 PolarHBondContact O-N 2.87Å; G272-L274 VanDerWaalsContact O-N 3.07Å |
| 273 | M | 35.9 | Very low | 46.9 | Very low | 186 Ų | 186 | 114.1 Ų | 114.1 | 92% | 0.916 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 69.2 | -10.4 | 148.6 | -63.2 | -177 | 68.1 | 0 | 0 | 122.6 | ||
| 274 | L | 39.7 | Very low | 47.2 | Very low | 167 Ų | 167 | 113.3 Ų | 113.3 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | trans | -111.6 | 30.3 | -178.8 | -66.1 | 178 | 0 | 0 | 0 | 115.9 | G272 G276 | G272-L274 PolarHBondContact O-N 2.87Å; G272-L274 VanDerWaalsContact O-N 3.07Å; L274-G276 PolarHBondContact O-N 3.31Å | ||
| 275 | G | 39 | Very low | 47.6 | Very low | 72 Ų | 72 | 113.9 Ų | 113.9 | 74% | 0.742 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -67.9 | 97.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R277 | G275-R277 VanDerWaalsContact C-N 3.28Å; G275-R277 PolarHBondContact O-N 3.37Å |
| 276 | G | 39.9 | Very low | 48.4 | Very low | 73 Ų | 73 | 116 Ų | 116 | 75% | 0.753 | 64% | 0.641 | S | S | * | * | trans | 49.6 | 32.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | L274 L278 | L274-G276 PolarHBondContact O-N 3.31Å; G276-L278 VanDerWaalsContact C-N 3.31Å; G276-L278 PolarHBondContact O-N 2.88Å | ||
| 277 | R | 46.2 | Very low | 49.2 | Very low | 212 Ų | 212 | 112 Ų | 112 | 80% | 0.8 | 62% | 0.624 | S | S | * | * | trans | -67.8 | 90.9 | 175.6 | -77.4 | -173.6 | -180 | -114.7 | 2.4 | 109.8 | G275 I279 | G275-R277 VanDerWaalsContact C-N 3.28Å; G275-R277 PolarHBondContact O-N 3.37Å; R277-I279 PolarHBondContact O-N 3.01Å | ||
| 278 | L | 51.7 | Low | 49.8 | Very low | 119 Ų | 119 | 107.9 Ų | 107.9 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | trans | -47.9 | 130.3 | 157.9 | -71 | 171.4 | 0 | 0 | 0 | 108 | G276 G280 | G276-L278 VanDerWaalsContact C-N 3.31Å; G276-L278 PolarHBondContact O-N 2.88Å; L278-G280 PolarHBondContact O-N 3.2Å | ||
| 279 | I | 53 | Low | 50.3 | Low | 106 Ų | 106 | 100.7 Ų | 100.7 | 54% | 0.544 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -65.1 | 120.7 | -172.7 | -59.9 | 178.3 | 0 | 0 | 0 | 109 | R277 V332 I336 | R277-I279 PolarHBondContact O-N 3.01Å; I279-V332 HydrophobicContact CG2-CG1 3.57Å; I279-I336 HydrophobicContact CD1-CD1 3.8Å; I279-I336 HydrophobicContact CG2-CD1 4.03Å |
| 280 | G | 55 | Low | 50.9 | Low | 37 Ų | 37 | 96.3 Ų | 96.3 | 38% | 0.381 | 60% | 0.597 | S | S | . | * | S | Bend | trans | 129.5 | -175.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L278 | L278-G280 PolarHBondContact O-N 3.2Š|
| 281 | P | 62.5 | Low | 52 | Low | 55 Ų | 55 | 104 Ų | 104 | 36% | 0.357 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -63.6 | 151.5 | 172.5 | 27.1 | -34.7 | 0 | 0 | 0 | 111.6 | L325 R329 | P281-L325 HydrophobicContact CG-CD2 3.63Å; P281-R329 PolarHBondContact O-NH2 3.47Å |
| 282 | T | 61.5 | Low | 53.2 | Low | 125 Ų | 125 | 105.9 Ų | 105.9 | 77% | 0.767 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 136.9 | 174.7 | -44.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 283 | L | 60 | Low | 54.2 | Low | 78 Ų | 78 | 109.1 Ų | 109.1 | 41% | 0.408 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -62 | 142.8 | 175 | -71.5 | 171.6 | 0 | 0 | 0 | 110.5 | I287 | L283-I287 HydrophobicContact CB-CD1 4.46Å; L283-I287 HydrophobicContact CD2-CD1 4.3Å |
| 284 | P | 66.7 | Low | 55.2 | Low | 21 Ų | 21 | 108.9 Ų | 108.9 | 14% | 0.136 | 60% | 0.602 | C | S | . | * | P | Polyproline II helix | trans | -51.8 | 137.4 | 172.3 | -29.3 | 35.2 | 0 | 0 | 0 | 112.4 | W286 I287 | P284-W286 HydrophobicContact CB-CD2 4.4Å; P284-W286 HydrophobicContact CB-CG 4.33Å; P284-W286 HydrophobicContact CB-CZ2 4.34Å; P284-W286 PolarHBondContact O-N 2.8Å; P284-I287 HydrophobicContact CB-CD1 4.36Å; P284-I287 HydrophobicContact CG-CD1 4.3Å; P284-I287 PolarHBondContact O-N 3.36Å; P284-I287 VanDerWaalsContact O-N 3.16Å |
| 285 | P | 64.9 | Low | 56.1 | Low | 115 Ų | 115 | 106.9 Ų | 106.9 | 75% | 0.747 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -57.5 | -27.5 | -172 | -28.1 | 35.2 | 0 | 0 | 0 | 115.3 | I287 A288 | P285-I287 PolarHBondContact O-N 3.33Å; P285-A288 PolarHBondContact O-N 2.99Å |
| 286 | W | 65.7 | Low | 57.4 | Low | 114 Ų | 114 | 106.8 Ų | 106.8 | 43% | 0.432 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -69.4 | -16.4 | -177.2 | 56 | -100.6 | 0 | 0 | 0 | 114.2 | P284 Q318 L322 | P284-W286 HydrophobicContact CB-CD2 4.4Å; P284-W286 HydrophobicContact CB-CG 4.33Å; P284-W286 HydrophobicContact CB-CZ2 4.34Å; P284-W286 PolarHBondContact O-N 2.8Å; W286-Q318 HydrophobicContact CH2-CB 3.99Å; W286-Q318 HydrophobicContact CZ2-CB 3.8Å; W286-Q318 HydrophobicContact CZ2-CG 3.99Å; W286-L322 HydrophobicContact CH2-CD1 3.63Å; W286-L322 HydrophobicContact CH2-CG 4.36Å; W286-L322 HydrophobicContact CZ2-CD1 4.3Å; W286-L322 HydrophobicContact CZ3-CD1 4.48Å |
| 287 | I | 62.1 | Low | 58.5 | Low | 58 Ų | 58 | 109 Ų | 109 | 30% | 0.297 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -77 | -25.1 | 177.6 | -61 | 172.2 | 0 | 0 | 0 | 111.7 | L283 P284 P285 D289 L322 | L283-I287 HydrophobicContact CB-CD1 4.46Å; L283-I287 HydrophobicContact CD2-CD1 4.3Å; P284-I287 HydrophobicContact CB-CD1 4.36Å; P284-I287 HydrophobicContact CG-CD1 4.3Å; P284-I287 PolarHBondContact O-N 3.36Å; P284-I287 VanDerWaalsContact O-N 3.16Å; P285-I287 PolarHBondContact O-N 3.33Å; I287-D289 PolarHBondContact O-N 2.92Å; I287-L322 HydrophobicContact CD1-CD1 4.18Å; I287-L322 HydrophobicContact CD1-CD2 3.68Å; I287-L322 HydrophobicContact CD1-CG 4.47Å |
| 288 | A | 57.6 | Low | 59.7 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -82 | 0.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P285 | P285-A288 PolarHBondContact O-N 2.99Š|
| 289 | D | 55.7 | Low | 60.8 | Low | 78 Ų | 78 | 107 Ų | 107 | 42% | 0.417 | 56% | 0.558 | S | S | . | * | trans | -109.2 | 40.1 | -162.8 | -118.1 | 19.2 | 0 | 0 | 0 | 112.7 | I287 K291 K292 | I287-D289 PolarHBondContact O-N 2.92Å; D289-K291 PolarHBondContact O-N 3.07Å; D289-K292 PolarHBondContact O-N 3.04Å; D289-K292 WeakPolarHBondContact OD2-CE 3.39Å; D289-K292 IonicContact OD2-NZ 2.61Å; D289-K292 PolarHBondContact OD2-NZ 3.16Å | ||
| 290 | D | 54.4 | Low | 61.7 | Low | 134 Ų | 134 | 105.5 Ų | 105.5 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -45.8 | -31.7 | -177.6 | -78 | -38.8 | 0 | 0 | 0 | 114.4 | K292 L293 | D290-K292 PolarHBondContact O-N 3.35Å; D290-L293 PolarHBondContact O-N 2.93Å |
| 291 | K | 56 | Low | 62.7 | Low | 214 Ų | 214 | 108.1 Ų | 108.1 | 93% | 0.93 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -70 | 4.8 | -174.6 | -63.9 | -170.6 | 176.7 | -174.1 | 0 | 115.5 | D289 | D289-K291 PolarHBondContact O-N 3.07Š|
| 292 | K | 55.9 | Low | 63.7 | Low | 121 Ų | 121 | 112.7 Ų | 112.7 | 53% | 0.526 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -101.7 | -24.1 | 177.7 | -75.6 | 173.3 | 179.6 | 160.5 | 0 | 115.1 | D289 D290 E294 N295 | D289-K292 PolarHBondContact O-N 3.04Å; D289-K292 WeakPolarHBondContact OD2-CE 3.39Å; D289-K292 IonicContact OD2-NZ 2.61Å; D289-K292 PolarHBondContact OD2-NZ 3.16Å; D290-K292 PolarHBondContact O-N 3.35Å; K292-E294 PolarHBondContact O-N 3.17Å; K292-N295 PolarHBondContact O-N 3.04Å |
| 293 | L | 55.4 | Low | 64.8 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 63% | 0.634 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56.8 | -42.7 | -167.7 | -107.3 | 82.7 | 0 | 0 | 0 | 114.5 | D290 N295 D296 L297 | D290-L293 PolarHBondContact O-N 2.93Å; L293-N295 VanDerWaalsContact C-N 3.31Å; L293-N295 PolarHBondContact O-N 3.47Å; L293-D296 PolarHBondContact O-N 3.21Å; L293-L297 PolarHBondContact O-N 3.07Å |
| 294 | E | 56 | Low | 66.1 | Low | 181 Ų | 181 | 108.8 Ų | 108.8 | 85% | 0.846 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.4 | -31.6 | -170.1 | -162 | 164.3 | -145.6 | 0 | 0 | 112.9 | K292 | K292-E294 PolarHBondContact O-N 3.17Å |
| 295 | N | 59.6 | Low | 67 | Low | 124 Ų | 124 | 111.8 Ų | 111.8 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -79.2 | -27.4 | 177.2 | -123.1 | -41.6 | 0 | 0 | 0 | 112.6 | K292 L293 R299 | K292-N295 PolarHBondContact O-N 3.04Å; L293-N295 VanDerWaalsContact C-N 3.31Å; L293-N295 PolarHBondContact O-N 3.47Å; N295-R299 WeakPolarHBondContact O-CG 3.32Å |
| 296 | D | 65.2 | Low | 67.9 | Low | 71 Ų | 71 | 108.9 Ų | 108.9 | 38% | 0.38 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -81.1 | -29.3 | -177.6 | -75.7 | -26.3 | 0 | 0 | 0 | 112.2 | L293 E298 R299 L300 | L293-D296 PolarHBondContact O-N 3.21Å; D296-E298 PolarHBondContact O-N 2.91Å; D296-R299 PolarHBondContact O-N 3.32Å; D296-R299 VanDerWaalsContact O-N 3.13Å; D296-L300 WeakPolarHBondContact O-CB 3.44Å; D296-L300 VanDerWaalsContact O-CG 3.25Å; D296-L300 WeakPolarHBondContact O-CG 3.48Å; D296-L300 PolarHBondContact O-N 3.34Å |
| 297 | L | 63.9 | Low | 68.9 | Low | 120 Ų | 120 | 107.1 Ų | 107.1 | 63% | 0.628 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -55.7 | -45.7 | 174.7 | -90.8 | 159.1 | 0 | 0 | 0 | 113.1 | L293 R299 L300 S301 | L293-L297 PolarHBondContact O-N 3.07Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.03Å; L297-L300 PolarHBondContact O-N 3.28Å; L297-S301 PolarHBondContact O-N 2.9Å; L297-S301 VanDerWaalsContact O-N 3.16Å |
| 298 | E | 71.2 | Confident | 69.8 | Low | 118 Ų | 118 | 107.3 Ų | 107.3 | 55% | 0.551 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.9 | -22.5 | 179.2 | -148.9 | -155.5 | 146.7 | 0 | 0 | 112.9 | D296 S301 K302 | D296-E298 PolarHBondContact O-N 2.91Å; E298-S301 PolarHBondContact O-OG 3.43Å; E298-K302 IonicContact OE1-NZ 3.11Å; E298-K302 PolarHBondContact OE1-NZ 3.05Å |
| 299 | R | 75 | Confident | 71.1 | Confident | 171 Ų | 171 | 110.7 Ų | 110.7 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -79.3 | -40.8 | 173.4 | -63.9 | 176.7 | 103.6 | -176.1 | 6.8 | 111.2 | N295 D296 L297 S301 K302 T303 | N295-R299 WeakPolarHBondContact O-CG 3.32Å; D296-R299 PolarHBondContact O-N 3.32Å; D296-R299 VanDerWaalsContact O-N 3.13Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.03Å; R299-S301 VanDerWaalsContact C-N 3.32Å; R299-S301 PolarHBondContact O-N 3.31Å; R299-K302 PolarHBondContact O-N 3.2Å; R299-K302 VanDerWaalsContact O-N 3.14Å; R299-T303 PolarHBondContact O-N 3.35Å; R299-T303 PolarHBondContact O-OG1 3.39Å |
| 300 | L | 71 | Confident | 72.6 | Confident | 74 Ų | 74 | 109.8 Ų | 109.8 | 39% | 0.387 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -38.8 | 176.7 | -72.6 | 166.8 | 0 | 0 | 0 | 111.5 | D296 L297 K302 T303 L308 | D296-L300 WeakPolarHBondContact O-CB 3.44Å; D296-L300 VanDerWaalsContact O-CG 3.25Å; D296-L300 WeakPolarHBondContact O-CG 3.48Å; D296-L300 PolarHBondContact O-N 3.34Å; L297-L300 PolarHBondContact O-N 3.28Å; L300-K302 PolarHBondContact O-N 3.04Å; L300-K302 VanDerWaalsContact O-N 3.16Å; L300-T303 WeakPolarHBondContact O-CB 3.35Å; L300-T303 PolarHBondContact O-N 3.35Å; L300-T303 VanDerWaalsContact O-N 3.11Å; L300-L308 HydrophobicContact CB-CD2 4.28Å; L300-L308 HydrophobicContact CD2-CD2 3.66Å |
| 301 | S | 77.2 | Confident | 74 | Confident | 92 Ų | 92 | 107.2 Ų | 107.2 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.8 | 176.5 | 72.5 | 0 | 0 | 0 | 0 | 114.4 | L297 E298 R299 | L297-S301 PolarHBondContact O-N 2.9Å; L297-S301 VanDerWaalsContact O-N 3.16Å; E298-S301 PolarHBondContact O-OG 3.43Å; R299-S301 VanDerWaalsContact C-N 3.32Å; R299-S301 PolarHBondContact O-N 3.31Å |
| 302 | K | 83.5 | Confident | 75.4 | Confident | 150 Ų | 150 | 100.5 Ų | 100.5 | 65% | 0.652 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 1.4 | 178.6 | -60.8 | 169.5 | -167.4 | 167.6 | 0 | 112.9 | E298 R299 L300 | E298-K302 IonicContact OE1-NZ 3.11Å; E298-K302 PolarHBondContact OE1-NZ 3.05Å; R299-K302 PolarHBondContact O-N 3.2Å; R299-K302 VanDerWaalsContact O-N 3.14Å; L300-K302 PolarHBondContact O-N 3.04Å; L300-K302 VanDerWaalsContact O-N 3.16Å |
| 303 | T | 84.5 | Confident | 77 | Confident | 45 Ų | 45 | 101 Ų | 101 | 28% | 0.276 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -85.6 | 146.1 | -177.9 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | R299 L300 T307 L308 | R299-T303 PolarHBondContact O-N 3.35Å; R299-T303 PolarHBondContact O-OG1 3.39Å; L300-T303 WeakPolarHBondContact O-CB 3.35Å; L300-T303 PolarHBondContact O-N 3.35Å; L300-T303 VanDerWaalsContact O-N 3.11Å; T303-T307 HydrophobicContact CG2-CG2 3.53Å; T303-L308 HydrophobicContact CG2-CD2 4.24Å; T303-L308 HydrophobicContact CG2-CG 4.03Å |
| 304 | D | 86.8 | Confident | 78.5 | Confident | 77 Ų | 77 | 99.3 Ų | 99.3 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | trans | -69.6 | 155.1 | -179.8 | 77.5 | -88.2 | 0 | 0 | 0 | 113 | A306 T307 L308 | D304-A306 VanDerWaalsContact C-N 3.27Å; D304-A306 PolarHBondContact O-N 2.99Å; D304-A306 VanDerWaalsContact O-N 3.17Å; D304-A306 WeakPolarHBondContact OD2-CA 3.36Å; D304-A306 VanDerWaalsContact OD2-CB 3.29Å; D304-A306 WeakPolarHBondContact OD2-CB 3.32Å; D304-A306 PolarHBondContact OD2-N 3.31Å; D304-T307 PolarHBondContact O-N 3.17Å; D304-T307 VanDerWaalsContact OD1-CB 3.23Å; D304-T307 WeakPolarHBondContact OD1-CB 3.49Å; D304-T307 PolarHBondContact OD1-OG1 3.07Å; D304-T307 PolarHBondContact OD2-N 2.83Å; D304-L308 PolarHBondContact O-N 3.16Å | ||
| 305 | P | 85.1 | Confident | 79.9 | Confident | 84 Ų | 84 | 94.6 Ų | 94.6 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -21.7 | -176.7 | -25.4 | 35.5 | 0 | 0 | 0 | 115.9 | R309 | P305-R309 WeakPolarHBondContact O-CG 3.44Å; P305-R309 PolarHBondContact O-N 3.04Å; P305-R309 PolarHBondContact O-NE 3.3Å; P305-R309 PolarHBondContact O-NH1 3.33Å |
| 306 | A | 85.2 | Confident | 81.3 | Confident | 54 Ų | 54 | 94.2 Ų | 94.2 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.9 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D304 L308 R309 A310 | D304-A306 VanDerWaalsContact C-N 3.27Å; D304-A306 PolarHBondContact O-N 2.99Å; D304-A306 VanDerWaalsContact O-N 3.17Å; D304-A306 WeakPolarHBondContact OD2-CA 3.36Å; D304-A306 VanDerWaalsContact OD2-CB 3.29Å; D304-A306 WeakPolarHBondContact OD2-CB 3.32Å; D304-A306 PolarHBondContact OD2-N 3.31Å; A306-L308 VanDerWaalsContact C-N 3.34Å; A306-R309 PolarHBondContact O-N 2.82Å; A306-A310 PolarHBondContact O-N 3.42Å |
| 307 | T | 85.7 | Confident | 82.5 | Confident | 76 Ų | 76 | 94.5 Ų | 94.5 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 173.1 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | T303 D304 A310 K311 | T303-T307 HydrophobicContact CG2-CG2 3.53Å; D304-T307 PolarHBondContact O-N 3.17Å; D304-T307 VanDerWaalsContact OD1-CB 3.23Å; D304-T307 WeakPolarHBondContact OD1-CB 3.49Å; D304-T307 PolarHBondContact OD1-OG1 3.07Å; D304-T307 PolarHBondContact OD2-N 2.83Å; T307-A310 PolarHBondContact O-N 3.16Å; T307-K311 PolarHBondContact O-N 3.37Å |
| 308 | L | 82.1 | Confident | 83.6 | Confident | 62 Ų | 62 | 90.5 Ų | 90.5 | 33% | 0.325 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 173.5 | -73.2 | 173.5 | 0 | 0 | 0 | 112.5 | L300 T303 D304 A306 A310 K311 V312 | L300-L308 HydrophobicContact CB-CD2 4.28Å; L300-L308 HydrophobicContact CD2-CD2 3.66Å; T303-L308 HydrophobicContact CG2-CD2 4.24Å; T303-L308 HydrophobicContact CG2-CG 4.03Å; D304-L308 PolarHBondContact O-N 3.16Å; A306-L308 VanDerWaalsContact C-N 3.34Å; L308-A310 PolarHBondContact O-N 3.39Å; L308-K311 PolarHBondContact O-N 3.15Å; L308-V312 WeakPolarHBondContact O-CG2 3.4Å; L308-V312 PolarHBondContact O-N 3.16Å |
| 309 | R | 84.4 | Confident | 84.3 | Confident | 157 Ų | 157 | 88.6 Ų | 88.6 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.9 | -42.4 | 175.3 | -78.9 | -176.3 | -65.4 | -92.3 | 1.7 | 112.5 | P305 A306 K311 V312 M313 | P305-R309 WeakPolarHBondContact O-CG 3.44Å; P305-R309 PolarHBondContact O-N 3.04Å; P305-R309 PolarHBondContact O-NE 3.3Å; P305-R309 PolarHBondContact O-NH1 3.33Å; A306-R309 PolarHBondContact O-N 2.82Å; R309-K311 VanDerWaalsContact C-N 3.31Å; R309-K311 PolarHBondContact O-N 3.24Å; R309-V312 PolarHBondContact O-N 3.42Å; R309-M313 WeakPolarHBondContact O-CG 3.43Å; R309-M313 PolarHBondContact O-N 3.07Å |
| 310 | A | 86.5 | Confident | 85 | Confident | 59 Ų | 59 | 85.1 Ų | 85.1 | 49% | 0.488 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A306 T307 L308 M313 E314 | A306-A310 PolarHBondContact O-N 3.42Å; T307-A310 PolarHBondContact O-N 3.16Å; L308-A310 PolarHBondContact O-N 3.39Å; A310-M313 PolarHBondContact O-N 3.1Å; A310-E314 PolarHBondContact O-N 3.44Å |
| 311 | K | 84.4 | Confident | 85.8 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 35% | 0.348 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | 176.8 | -164.4 | 71.9 | -158 | 168.6 | 0 | 112.7 | T307 L308 R309 E314 L315 | T307-K311 PolarHBondContact O-N 3.37Å; L308-K311 PolarHBondContact O-N 3.15Å; R309-K311 VanDerWaalsContact C-N 3.31Å; R309-K311 PolarHBondContact O-N 3.24Å; K311-E314 WeakPolarHBondContact CD-OE2 3.32Å; K311-E314 WeakPolarHBondContact CE-OE2 3.41Å; K311-E314 IonicContact NZ-OE1 2.69Å; K311-E314 PolarHBondContact NZ-OE1 3.42Å; K311-E314 IonicContact NZ-OE2 3.78Å; K311-E314 PolarHBondContact NZ-OE2 3.2Å; K311-E314 PolarHBondContact O-N 2.93Å; K311-L315 HydrophobicContact CG-CD1 4.35Å; K311-L315 VanDerWaalsContact O-CG 3.31Å; K311-L315 WeakPolarHBondContact O-CG 3.48Å; K311-L315 PolarHBondContact O-N 3.18Å |
| 312 | V | 85.7 | Confident | 86.1 | Confident | 73 Ų | 73 | 84 Ų | 84 | 44% | 0.442 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 172.5 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L308 R309 E314 L315 E316 | L308-V312 WeakPolarHBondContact O-CG2 3.4Å; L308-V312 PolarHBondContact O-N 3.16Å; R309-V312 PolarHBondContact O-N 3.42Å; V312-E314 VanDerWaalsContact C-N 3.31Å; V312-E314 PolarHBondContact O-N 2.95Å; V312-L315 PolarHBondContact O-N 3.4Å; V312-L315 VanDerWaalsContact O-N 3.16Å; V312-E316 HydrophobicContact CG1-CG 4.25Å; V312-E316 WeakPolarHBondContact O-CG 3.35Å; V312-E316 PolarHBondContact O-N 3.39Å |
| 313 | M | 88.3 | Confident | 86.3 | Confident | 133 Ų | 133 | 80.7 Ų | 80.7 | 66% | 0.655 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.7 | -36.4 | 176.8 | -68.1 | -179.8 | 71 | 0 | 0 | 113.1 | R309 A310 S317 | R309-M313 WeakPolarHBondContact O-CG 3.43Å; R309-M313 PolarHBondContact O-N 3.07Å; A310-M313 PolarHBondContact O-N 3.1Å; M313-S317 PolarHBondContact O-N 2.91Å; M313-S317 VanDerWaalsContact O-N 3.07Å |
| 314 | E | 86.9 | Confident | 86.5 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 173.7 | -167.7 | -162.2 | 141.6 | 0 | 0 | 111.5 | A310 K311 V312 S317 Q318 | A310-E314 PolarHBondContact O-N 3.44Å; K311-E314 WeakPolarHBondContact CD-OE2 3.32Å; K311-E314 WeakPolarHBondContact CE-OE2 3.41Å; K311-E314 IonicContact NZ-OE1 2.69Å; K311-E314 PolarHBondContact NZ-OE1 3.42Å; K311-E314 IonicContact NZ-OE2 3.78Å; K311-E314 PolarHBondContact NZ-OE2 3.2Å; K311-E314 PolarHBondContact O-N 2.93Å; V312-E314 VanDerWaalsContact C-N 3.31Å; V312-E314 PolarHBondContact O-N 2.95Å; E314-S317 WeakPolarHBondContact O-CB 3.48Å; E314-S317 PolarHBondContact O-N 3.09Å; E314-Q318 WeakPolarHBondContact O-CG 3.37Å; E314-Q318 PolarHBondContact O-N 3.19Å; E314-Q318 PolarHBondContact OE1-NE2 3Å |
| 315 | L | 85.3 | Confident | 86.4 | Confident | 82 Ų | 82 | 83.4 Ų | 83.4 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 177.6 | -71 | 168.6 | 0 | 0 | 0 | 112 | K311 V312 S317 Q318 V319 | K311-L315 HydrophobicContact CG-CD1 4.35Å; K311-L315 VanDerWaalsContact O-CG 3.31Å; K311-L315 WeakPolarHBondContact O-CG 3.48Å; K311-L315 PolarHBondContact O-N 3.18Å; V312-L315 PolarHBondContact O-N 3.4Å; V312-L315 VanDerWaalsContact O-N 3.16Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 2.9Å; L315-Q318 PolarHBondContact O-N 3.39Å; L315-V319 WeakPolarHBondContact O-CB 3.4Å; L315-V319 WeakPolarHBondContact O-CG2 3.39Å; L315-V319 PolarHBondContact O-N 2.87Å |
| 316 | E | 88.8 | Confident | 86.3 | Confident | 115 Ų | 115 | 84 Ų | 84 | 54% | 0.537 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 173.1 | -73.9 | 173.1 | 162.8 | 0 | 0 | 111.5 | V312 N320 | V312-E316 HydrophobicContact CG1-CG 4.25Å; V312-E316 WeakPolarHBondContact O-CG 3.35Å; V312-E316 PolarHBondContact O-N 3.39Å; E316-N320 WeakPolarHBondContact O-CB 3.39Å; E316-N320 PolarHBondContact O-N 3.05Å |
| 317 | S | 90.3 | Very high | 86.2 | Confident | 78 Ų | 78 | 85.1 Ų | 85.1 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 173.3 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | M313 E314 L315 N320 E321 | M313-S317 PolarHBondContact O-N 2.91Å; M313-S317 VanDerWaalsContact O-N 3.07Å; E314-S317 WeakPolarHBondContact O-CB 3.48Å; E314-S317 PolarHBondContact O-N 3.09Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 2.9Å; S317-N320 PolarHBondContact O-N 3.1Å; S317-E321 PolarHBondContact O-N 2.88Å |
| 318 | Q | 88.2 | Confident | 86.2 | Confident | 35 Ų | 35 | 87.1 Ų | 87.1 | 16% | 0.164 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 177.9 | -74 | 168.8 | 8.2 | 0 | 0 | 112.3 | W286 E314 L315 E321 L322 | W286-Q318 HydrophobicContact CH2-CB 3.99Å; W286-Q318 HydrophobicContact CZ2-CB 3.8Å; W286-Q318 HydrophobicContact CZ2-CG 3.99Å; E314-Q318 WeakPolarHBondContact O-CG 3.37Å; E314-Q318 PolarHBondContact O-N 3.19Å; E314-Q318 PolarHBondContact OE1-NE2 3Å; L315-Q318 PolarHBondContact O-N 3.39Å; Q318-E321 PolarHBondContact O-N 3.14Å; Q318-L322 PolarHBondContact O-N 2.9Å |
| 319 | V | 84.6 | Confident | 86.3 | Confident | 79 Ų | 79 | 86.4 Ų | 86.4 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 173.6 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | L315 L322 N323 | L315-V319 WeakPolarHBondContact O-CB 3.4Å; L315-V319 WeakPolarHBondContact O-CG2 3.39Å; L315-V319 PolarHBondContact O-N 2.87Å; V319-L322 PolarHBondContact O-N 3.46Å; V319-N323 PolarHBondContact O-N 3.35Å; V319-N323 PolarHBondContact O-ND2 3.43Å |
| 320 | N | 90.2 | Very high | 86.2 | Confident | 98 Ų | 98 | 84.2 Ų | 84.2 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 173.5 | -85.8 | -28.8 | 0 | 0 | 0 | 112.9 | E316 S317 N323 Q324 | E316-N320 WeakPolarHBondContact O-CB 3.39Å; E316-N320 PolarHBondContact O-N 3.05Å; S317-N320 PolarHBondContact O-N 3.1Å; N320-N323 PolarHBondContact O-N 2.78Å; N320-Q324 WeakPolarHBondContact O-CG 3.5Å; N320-Q324 PolarHBondContact O-N 3.36Å; N320-Q324 VanDerWaalsContact O-N 3.13Å |
| 321 | E | 87.8 | Confident | 86.2 | Confident | 96 Ų | 96 | 85.5 Ų | 85.5 | 45% | 0.449 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 172.7 | -172.6 | -179.6 | -178.7 | 0 | 0 | 111.1 | S317 Q318 N323 Q324 L325 | S317-E321 PolarHBondContact O-N 2.88Å; Q318-E321 PolarHBondContact O-N 3.14Å; E321-N323 PolarHBondContact O-N 3.06Å; E321-Q324 PolarHBondContact O-N 2.99Å; E321-L325 WeakPolarHBondContact O-CG 3.39Å; E321-L325 PolarHBondContact O-N 3.37Å |
| 322 | L | 84.7 | Confident | 86.3 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.8 | -78.7 | 176.1 | 0 | 0 | 0 | 113.6 | W286 I287 Q318 V319 Q324 L325 L326 | W286-L322 HydrophobicContact CH2-CD1 3.63Å; W286-L322 HydrophobicContact CH2-CG 4.36Å; W286-L322 HydrophobicContact CZ2-CD1 4.3Å; W286-L322 HydrophobicContact CZ3-CD1 4.48Å; I287-L322 HydrophobicContact CD1-CD1 4.18Å; I287-L322 HydrophobicContact CD1-CD2 3.68Å; I287-L322 HydrophobicContact CD1-CG 4.47Å; Q318-L322 PolarHBondContact O-N 2.9Å; V319-L322 PolarHBondContact O-N 3.46Å; L322-Q324 VanDerWaalsContact C-N 3.33Å; L322-Q324 PolarHBondContact O-N 3.01Å; L322-L325 HydrophobicContact CD2-CD1 4.43Å; L322-L325 PolarHBondContact O-N 3.01Å; L322-L326 WeakPolarHBondContact O-CG 3.36Å; L322-L326 PolarHBondContact O-N 3.35Å |
| 323 | N | 86.8 | Confident | 86.1 | Confident | 82 Ų | 82 | 84.3 Ų | 84.3 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 174 | -76.9 | -25.5 | 0 | 0 | 0 | 111.4 | V319 N320 E321 L325 L326 T327 | V319-N323 PolarHBondContact O-N 3.35Å; V319-N323 PolarHBondContact O-ND2 3.43Å; N320-N323 PolarHBondContact O-N 2.78Å; E321-N323 PolarHBondContact O-N 3.06Å; N323-L325 VanDerWaalsContact C-N 3.34Å; N323-L325 PolarHBondContact O-N 3.32Å; N323-L326 PolarHBondContact O-N 2.91Å; N323-T327 PolarHBondContact O-N 3Å; N323-T327 PolarHBondContact O-OG1 3.03Å |
| 324 | Q | 88.8 | Confident | 86 | Confident | 140 Ų | 140 | 83.3 Ų | 83.3 | 65% | 0.654 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 174.6 | -67.9 | 172.3 | 28.8 | 0 | 0 | 112.3 | N320 E321 L322 Y328 | N320-Q324 WeakPolarHBondContact O-CG 3.5Å; N320-Q324 PolarHBondContact O-N 3.36Å; N320-Q324 VanDerWaalsContact O-N 3.13Å; E321-Q324 PolarHBondContact O-N 2.99Å; L322-Q324 VanDerWaalsContact C-N 3.33Å; L322-Q324 PolarHBondContact O-N 3.01Å; Q324-Y328 WeakPolarHBondContact O-CB 3.31Å; Q324-Y328 PolarHBondContact O-N 3.31Å |
| 325 | L | 85 | Confident | 86.1 | Confident | 39 Ų | 39 | 85.6 Ų | 85.6 | 20% | 0.204 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 175.8 | -68.6 | -178.3 | 0 | 0 | 0 | 113 | P281 E321 L322 N323 R329 | P281-L325 HydrophobicContact CG-CD2 3.63Å; E321-L325 WeakPolarHBondContact O-CG 3.39Å; E321-L325 PolarHBondContact O-N 3.37Å; L322-L325 HydrophobicContact CD2-CD1 4.43Å; L322-L325 PolarHBondContact O-N 3.01Å; N323-L325 VanDerWaalsContact C-N 3.34Å; N323-L325 PolarHBondContact O-N 3.32Å; L325-R329 WeakPolarHBondContact O-CG 3.4Å; L325-R329 PolarHBondContact O-N 2.95Å; L325-R329 VanDerWaalsContact O-N 3.09Å |
| 326 | L | 81.6 | Confident | 86.1 | Confident | 96 Ų | 96 | 84.6 Ų | 84.6 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.6 | -52.6 | 173.6 | -76.7 | 167.5 | 0 | 0 | 0 | 110.9 | L322 N323 Y328 R329 E330 | L322-L326 WeakPolarHBondContact O-CG 3.36Å; L322-L326 PolarHBondContact O-N 3.35Å; N323-L326 PolarHBondContact O-N 2.91Å; L326-Y328 VanDerWaalsContact C-N 3.29Å; L326-Y328 PolarHBondContact O-N 3.46Å; L326-R329 WeakPolarHBondContact O-CA 3.43Å; L326-R329 WeakPolarHBondContact O-CB 3.48Å; L326-R329 PolarHBondContact O-N 2.75Å; L326-E330 WeakPolarHBondContact O-CG 3.44Å; L326-E330 PolarHBondContact O-N 2.79Å |
| 327 | T | 84 | Confident | 85.9 | Confident | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 112 | N323 R329 E330 D331 | N323-T327 PolarHBondContact O-N 3Å; N323-T327 PolarHBondContact O-OG1 3.03Å; T327-R329 VanDerWaalsContact C-N 3.34Å; T327-R329 PolarHBondContact O-N 3.27Å; T327-E330 PolarHBondContact O-N 2.91Å; T327-D331 PolarHBondContact O-N 2.83Å |
| 328 | Y | 86 | Confident | 85.9 | Confident | 119 Ų | 119 | 86.2 Ų | 86.2 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 174.5 | 177.4 | -93.2 | 0 | 0 | 0 | 112.7 | Q324 L326 V332 | Q324-Y328 WeakPolarHBondContact O-CB 3.31Å; Q324-Y328 PolarHBondContact O-N 3.31Å; L326-Y328 VanDerWaalsContact C-N 3.29Å; L326-Y328 PolarHBondContact O-N 3.46Å; Y328-V332 HydrophobicContact CD1-CG2 4.27Å; Y328-V332 HydrophobicContact CE1-CG2 3.77Å; Y328-V332 HydrophobicContact CE2-CG2 4.36Å; Y328-V332 WeakPolarHBondContact O-CG2 3.42Å; Y328-V332 PolarHBondContact O-N 3.49Å |
| 329 | R | 83.9 | Confident | 85.9 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 18% | 0.177 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 176.9 | -76.8 | 179.2 | 177.3 | -160.5 | -0.2 | 111.8 | P281 L325 L326 T327 V332 I333 | P281-R329 PolarHBondContact O-NH2 3.47Å; L325-R329 WeakPolarHBondContact O-CG 3.4Å; L325-R329 PolarHBondContact O-N 2.95Å; L325-R329 VanDerWaalsContact O-N 3.09Å; L326-R329 WeakPolarHBondContact O-CA 3.43Å; L326-R329 WeakPolarHBondContact O-CB 3.48Å; L326-R329 PolarHBondContact O-N 2.75Å; T327-R329 VanDerWaalsContact C-N 3.34Å; T327-R329 PolarHBondContact O-N 3.27Å; R329-V332 PolarHBondContact O-N 2.99Å; R329-I333 WeakPolarHBondContact O-CB 3.44Å; R329-I333 VanDerWaalsContact O-CG1 3.26Å; R329-I333 WeakPolarHBondContact O-CG1 3.39Å; R329-I333 PolarHBondContact O-N 3.48Å |
| 330 | E | 81.9 | Confident | 85.9 | Confident | 111 Ų | 111 | 90.7 Ų | 90.7 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 173.8 | -69 | 171.4 | 155.3 | 0 | 0 | 110.9 | L326 T327 V332 I333 L334 | L326-E330 WeakPolarHBondContact O-CG 3.44Å; L326-E330 PolarHBondContact O-N 2.79Å; T327-E330 PolarHBondContact O-N 2.91Å; E330-V332 VanDerWaalsContact C-N 3.3Å; E330-V332 PolarHBondContact O-N 3.14Å; E330-I333 PolarHBondContact O-N 3.36Å; E330-I333 VanDerWaalsContact O-N 3.16Å; E330-L334 WeakPolarHBondContact O-CG 3.45Å; E330-L334 PolarHBondContact O-N 3.46Å |
| 331 | D | 87.6 | Confident | 85.8 | Confident | 85 Ų | 85 | 88.7 Ų | 88.7 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.1 | -34.1 | 175.1 | -92.9 | -3.6 | 0 | 0 | 0 | 113.7 | T327 R335 | T327-D331 PolarHBondContact O-N 2.83Å; D331-R335 WeakPolarHBondContact O-CG 3.35Å; D331-R335 PolarHBondContact O-N 3.38Å; D331-R335 PolarHBondContact O-NE 3.32Å |
| 332 | V | 86.4 | Confident | 85.7 | Confident | 23 Ų | 23 | 89.3 Ų | 89.3 | 14% | 0.139 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -73.6 | -41.3 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | I279 Y328 R329 E330 R335 I336 | I279-V332 HydrophobicContact CG2-CG1 3.57Å; Y328-V332 HydrophobicContact CD1-CG2 4.27Å; Y328-V332 HydrophobicContact CE1-CG2 3.77Å; Y328-V332 HydrophobicContact CE2-CG2 4.36Å; Y328-V332 WeakPolarHBondContact O-CG2 3.42Å; Y328-V332 PolarHBondContact O-N 3.49Å; R329-V332 PolarHBondContact O-N 2.99Å; E330-V332 VanDerWaalsContact C-N 3.3Å; E330-V332 PolarHBondContact O-N 3.14Å; V332-R335 PolarHBondContact O-N 3.46Å; V332-I336 HydrophobicContact CG1-CD1 3.81Å; V332-I336 HydrophobicContact CG1-CG1 4.49Å; V332-I336 VanDerWaalsContact O-CG1 3.3Å; V332-I336 WeakPolarHBondContact O-CG1 3.44Å; V332-I336 PolarHBondContact O-N 3.03Å |
| 333 | I | 80.5 | Confident | 86 | Confident | 105 Ų | 105 | 93.3 Ų | 93.3 | 54% | 0.538 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.1 | -70.2 | 164 | 0 | 0 | 0 | 110.7 | R329 E330 R335 I336 H337 | R329-I333 WeakPolarHBondContact O-CB 3.44Å; R329-I333 VanDerWaalsContact O-CG1 3.26Å; R329-I333 WeakPolarHBondContact O-CG1 3.39Å; R329-I333 PolarHBondContact O-N 3.48Å; E330-I333 PolarHBondContact O-N 3.36Å; E330-I333 VanDerWaalsContact O-N 3.16Å; I333-R335 PolarHBondContact O-N 2.97Å; I333-I336 PolarHBondContact O-N 3Å; I333-H337 WeakPolarHBondContact O-CB 3.4Å; I333-H337 PolarHBondContact O-N 3.43Å |
| 334 | L | 86 | Confident | 85.9 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 59% | 0.592 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 177 | -72 | 172.4 | 0 | 0 | 0 | 112.1 | E330 H337 E338 | E330-L334 WeakPolarHBondContact O-CG 3.45Å; E330-L334 PolarHBondContact O-N 3.46Å; L334-H337 PolarHBondContact O-N 2.98Å; L334-E338 PolarHBondContact O-N 3.37Å |
| 335 | R | 89.3 | Confident | 85.5 | Confident | 132 Ų | 132 | 88.4 Ų | 88.4 | 50% | 0.498 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.7 | -80.1 | 176.5 | -74.3 | -161.1 | -2.8 | 112.9 | D331 V332 I333 H337 E338 E339 | D331-R335 WeakPolarHBondContact O-CG 3.35Å; D331-R335 PolarHBondContact O-N 3.38Å; D331-R335 PolarHBondContact O-NE 3.32Å; V332-R335 PolarHBondContact O-N 3.46Å; I333-R335 PolarHBondContact O-N 2.97Å; R335-H337 VanDerWaalsContact C-N 3.34Å; R335-E338 PolarHBondContact O-N 3.46Å; R335-E339 PolarHBondContact O-N 3.43Å |
| 336 | I | 85.5 | Confident | 85.4 | Confident | 62 Ų | 62 | 94.3 Ų | 94.3 | 32% | 0.318 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.1 | -71.1 | 167.7 | 0 | 0 | 0 | 110.6 | I279 V332 I333 E339 I340 | I279-I336 HydrophobicContact CD1-CD1 3.8Å; I279-I336 HydrophobicContact CG2-CD1 4.03Å; V332-I336 HydrophobicContact CG1-CD1 3.81Å; V332-I336 HydrophobicContact CG1-CG1 4.49Å; V332-I336 VanDerWaalsContact O-CG1 3.3Å; V332-I336 WeakPolarHBondContact O-CG1 3.44Å; V332-I336 PolarHBondContact O-N 3.03Å; I333-I336 PolarHBondContact O-N 3Å; I336-E339 PolarHBondContact O-N 2.96Å; I336-I340 HydrophobicContact CG2-CD1 3.74Å; I336-I340 HydrophobicContact CG2-CG1 4.39Å; I336-I340 WeakPolarHBondContact O-CB 3.47Å; I336-I340 VanDerWaalsContact O-CG1 3.28Å; I336-I340 WeakPolarHBondContact O-CG1 3.48Å; I336-I340 PolarHBondContact O-N 3.45Å |
| 337 | H | 84.6 | Confident | 85.5 | Confident | 123 Ų | 123 | 94.8 Ų | 94.8 | 57% | 0.569 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63 | -41.7 | 176.5 | -174.8 | 73.4 | 0 | 0 | 0 | 112.2 | I333 L334 R335 I340 S341 | I333-H337 WeakPolarHBondContact O-CB 3.4Å; I333-H337 PolarHBondContact O-N 3.43Å; L334-H337 PolarHBondContact O-N 2.98Å; R335-H337 VanDerWaalsContact C-N 3.34Å; H337-I340 PolarHBondContact O-N 3.12Å; H337-S341 WeakPolarHBondContact O-CB 3.45Å; H337-S341 PolarHBondContact O-N 3.34Å; H337-S341 PolarHBondContact O-OG 3.41Å |
| 338 | E | 89.6 | Confident | 85.5 | Confident | 103 Ų | 103 | 96.7 Ų | 96.7 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 174.9 | -155.8 | -158.6 | 168.4 | 0 | 0 | 112 | L334 R335 S341 K342 | L334-E338 PolarHBondContact O-N 3.37Å; R335-E338 PolarHBondContact O-N 3.46Å; E338-S341 PolarHBondContact O-N 2.9Å; E338-K342 VanDerWaalsContact O-CG 3.31Å; E338-K342 WeakPolarHBondContact O-CG 3.41Å; E338-K342 PolarHBondContact O-N 2.76Å; E338-K342 WeakPolarHBondContact OE1-CE 3.41Å; E338-K342 IonicContact OE1-NZ 2.82Å; E338-K342 PolarHBondContact OE1-NZ 3.36Å; E338-K342 IonicContact OE2-NZ 3.31Å; E338-K342 PolarHBondContact OE2-NZ 2.95Å |
| 339 | E | 87.9 | Confident | 85.4 | Confident | 109 Ų | 109 | 93.8 Ų | 93.8 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 173.6 | -88.1 | -157.5 | -158 | 0 | 0 | 113.2 | R335 I336 S341 K342 K343 | R335-E339 PolarHBondContact O-N 3.43Å; I336-E339 PolarHBondContact O-N 2.96Å; E339-S341 VanDerWaalsContact C-N 3.3Å; E339-K342 PolarHBondContact O-N 3.1Å; E339-K343 WeakPolarHBondContact O-CB 3.5Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 2.97Å; E339-K343 IonicContact OE2-NZ 3.35Å; E339-K343 PolarHBondContact OE2-NZ 3Å |
| 340 | I | 85.7 | Confident | 85.3 | Confident | 100 Ų | 100 | 93.3 Ų | 93.3 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 175.6 | -72.6 | 168.7 | 0 | 0 | 0 | 109.5 | I336 H337 K342 K343 A344 | I336-I340 HydrophobicContact CG2-CD1 3.74Å; I336-I340 HydrophobicContact CG2-CG1 4.39Å; I336-I340 WeakPolarHBondContact O-CB 3.47Å; I336-I340 VanDerWaalsContact O-CG1 3.28Å; I336-I340 WeakPolarHBondContact O-CG1 3.48Å; I336-I340 PolarHBondContact O-N 3.45Å; H337-I340 PolarHBondContact O-N 3.12Å; I340-K342 PolarHBondContact O-N 3.04Å; I340-K343 CarbonylContact O-C 3.5Å; I340-K343 PolarHBondContact O-N 3.49Å; I340-K343 VanDerWaalsContact O-N 3.15Å; I340-A344 WeakPolarHBondContact O-CB 3.49Å; I340-A344 PolarHBondContact O-N 3.24Å |
| 341 | S | 87.2 | Confident | 85.2 | Confident | 56 Ų | 56 | 91.4 Ų | 91.4 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 112 | H337 E338 E339 K343 A344 S345 | H337-S341 WeakPolarHBondContact O-CB 3.45Å; H337-S341 PolarHBondContact O-N 3.34Å; H337-S341 PolarHBondContact O-OG 3.41Å; E338-S341 PolarHBondContact O-N 2.9Å; E339-S341 VanDerWaalsContact C-N 3.3Å; S341-K343 VanDerWaalsContact C-N 3.32Å; S341-K343 PolarHBondContact O-N 2.93Å; S341-A344 PolarHBondContact O-N 3.13Å; S341-S345 PolarHBondContact O-N 3.47Å |
| 342 | K | 87.4 | Confident | 85.2 | Confident | 109 Ų | 109 | 90.1 Ų | 90.1 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 173.9 | -72.8 | 165.9 | -175.6 | 165.8 | 0 | 112.8 | E338 E339 I340 K346 | E338-K342 VanDerWaalsContact O-CG 3.31Å; E338-K342 WeakPolarHBondContact O-CG 3.41Å; E338-K342 PolarHBondContact O-N 2.76Å; E338-K342 WeakPolarHBondContact OE1-CE 3.41Å; E338-K342 IonicContact OE1-NZ 2.82Å; E338-K342 PolarHBondContact OE1-NZ 3.36Å; E338-K342 IonicContact OE2-NZ 3.31Å; E338-K342 PolarHBondContact OE2-NZ 2.95Å; E339-K342 PolarHBondContact O-N 3.1Å; I340-K342 PolarHBondContact O-N 3.04Å; K342-K346 WeakPolarHBondContact O-CG 3.4Å; K342-K346 PolarHBondContact O-N 3.48Å |
| 343 | K | 89.4 | Confident | 85.1 | Confident | 129 Ų | 129 | 95.6 Ų | 95.6 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.8 | -39.5 | 175.6 | -75.4 | 165.1 | 178 | 155.1 | 0 | 111.7 | E339 I340 S341 K346 L347 | E339-K343 WeakPolarHBondContact O-CB 3.5Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 2.97Å; E339-K343 IonicContact OE2-NZ 3.35Å; E339-K343 PolarHBondContact OE2-NZ 3Å; I340-K343 CarbonylContact O-C 3.5Å; I340-K343 PolarHBondContact O-N 3.49Å; I340-K343 VanDerWaalsContact O-N 3.15Å; S341-K343 VanDerWaalsContact C-N 3.32Å; S341-K343 PolarHBondContact O-N 2.93Å; K343-K346 PolarHBondContact O-N 3.46Å; K343-L347 PolarHBondContact O-N 3.22Å |
| 344 | A | 84.4 | Confident | 85.2 | Confident | 44 Ų | 44 | 95.4 Ų | 95.4 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I340 S341 K346 L347 E348 | I340-A344 WeakPolarHBondContact O-CB 3.49Å; I340-A344 PolarHBondContact O-N 3.24Å; S341-A344 PolarHBondContact O-N 3.13Å; A344-K346 VanDerWaalsContact C-N 3.28Å; A344-K346 PolarHBondContact O-N 3.48Å; A344-L347 WeakPolarHBondContact O-CA 3.39Å; A344-L347 WeakPolarHBondContact O-CB 3.32Å; A344-L347 PolarHBondContact O-N 3.44Å; A344-E348 PolarHBondContact O-N 2.98Å |
| 345 | S | 81.5 | Confident | 85.1 | Confident | 75 Ų | 75 | 93.8 Ų | 93.8 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.9 | -35.7 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 113 | S341 A349 | S341-S345 PolarHBondContact O-N 3.47Å; S345-A349 PolarHBondContact O-N 3.48Å |
| 346 | K | 83.6 | Confident | 84.8 | Confident | 162 Ų | 162 | 90.5 Ų | 90.5 | 70% | 0.704 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.8 | -33.8 | 172.6 | -73.7 | 178 | 179.9 | -175.4 | 0 | 113.1 | K342 K343 A344 A350 | K342-K346 WeakPolarHBondContact O-CG 3.4Å; K342-K346 PolarHBondContact O-N 3.48Å; K343-K346 PolarHBondContact O-N 3.46Å; A344-K346 VanDerWaalsContact C-N 3.28Å; A344-K346 PolarHBondContact O-N 3.48Å; K346-A350 PolarHBondContact O-N 3.29Å; K346-A350 VanDerWaalsContact O-N 3.16Å |
| 347 | L | 83 | Confident | 84.7 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.6 | -45 | 176.4 | -176.9 | 63.5 | 0 | 0 | 0 | 110.9 | K343 A344 A349 A350 D351 | K343-L347 PolarHBondContact O-N 3.22Å; A344-L347 WeakPolarHBondContact O-CA 3.39Å; A344-L347 WeakPolarHBondContact O-CB 3.32Å; A344-L347 PolarHBondContact O-N 3.44Å; L347-A349 VanDerWaalsContact C-N 3.32Å; L347-A349 PolarHBondContact O-N 3.07Å; L347-A350 WeakPolarHBondContact O-CB 3.43Å; L347-A350 PolarHBondContact O-N 3.34Å; L347-A350 VanDerWaalsContact O-N 3.07Å; L347-D351 PolarHBondContact O-N 3.21Å |
| 348 | E | 84.5 | Confident | 84.7 | Confident | 117 Ų | 117 | 89.8 Ų | 89.8 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 175.3 | -69.9 | 173.8 | 162.4 | 0 | 0 | 112.1 | A344 A350 D351 V352 | A344-E348 PolarHBondContact O-N 2.98Å; E348-A350 VanDerWaalsContact C-N 3.34Å; E348-A350 PolarHBondContact O-N 2.9Å; E348-D351 PolarHBondContact O-N 3.27Å; E348-V352 WeakPolarHBondContact O-CG2 3.26Å; E348-V352 PolarHBondContact O-N 2.87Å |
| 349 | A | 83.2 | Confident | 84.7 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S345 L347 V352 E353 | S345-A349 PolarHBondContact O-N 3.48Å; L347-A349 VanDerWaalsContact C-N 3.32Å; L347-A349 PolarHBondContact O-N 3.07Å; A349-V352 PolarHBondContact O-N 3.09Å; A349-E353 PolarHBondContact O-N 3.15Å; A349-E353 VanDerWaalsContact O-N 3.11Å |
| 350 | A | 81 | Confident | 84.7 | Confident | 37 Ų | 37 | 86.9 Ų | 86.9 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K346 L347 E348 E353 R354 | K346-A350 PolarHBondContact O-N 3.29Å; K346-A350 VanDerWaalsContact O-N 3.16Å; L347-A350 WeakPolarHBondContact O-CB 3.43Å; L347-A350 PolarHBondContact O-N 3.34Å; L347-A350 VanDerWaalsContact O-N 3.07Å; E348-A350 VanDerWaalsContact C-N 3.34Å; E348-A350 PolarHBondContact O-N 2.9Å; A350-E353 PolarHBondContact O-N 3.16Å; A350-R354 WeakPolarHBondContact O-CB 3.35Å; A350-R354 PolarHBondContact O-N 3.3Å |
| 351 | D | 81.2 | Confident | 84.6 | Confident | 70 Ų | 70 | 86.3 Ų | 86.3 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.1 | -32.4 | 175.1 | -82.3 | -35.2 | 0 | 0 | 0 | 112.3 | L347 E348 R354 S355 | L347-D351 PolarHBondContact O-N 3.21Å; E348-D351 PolarHBondContact O-N 3.27Å; D351-R354 IonicContact OD1-NH1 3.15Å; D351-S355 WeakPolarHBondContact O-CB 3.42Å; D351-S355 PolarHBondContact O-N 3.15Å; D351-S355 PolarHBondContact O-OG 3.28Å |
| 352 | V | 86.9 | Confident | 84.6 | Confident | 58 Ų | 58 | 86.2 Ų | 86.2 | 35% | 0.352 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 169.4 | 165.8 | 0 | 0 | 0 | 0 | 111.4 | E348 A349 S355 S356 | E348-V352 WeakPolarHBondContact O-CG2 3.26Å; E348-V352 PolarHBondContact O-N 2.87Å; A349-V352 PolarHBondContact O-N 3.09Å; V352-S355 PolarHBondContact O-N 2.91Å; V352-S356 PolarHBondContact O-N 2.99Å |
| 353 | E | 85.3 | Confident | 84.6 | Confident | 138 Ų | 138 | 84.5 Ų | 84.5 | 65% | 0.645 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 176 | -73 | -172.4 | 162.9 | 0 | 0 | 111.8 | A349 A350 S355 S356 L357 | A349-E353 PolarHBondContact O-N 3.15Å; A349-E353 VanDerWaalsContact O-N 3.11Å; A350-E353 PolarHBondContact O-N 3.16Å; E353-S355 VanDerWaalsContact C-N 3.29Å; E353-S355 PolarHBondContact O-N 3.27Å; E353-S356 WeakPolarHBondContact O-CB 3.5Å; E353-S356 PolarHBondContact O-N 3.3Å; E353-L357 WeakPolarHBondContact O-CG 3.38Å; E353-L357 PolarHBondContact O-N 3.06Å |
| 354 | R | 81.9 | Confident | 84.5 | Confident | 102 Ų | 102 | 83.5 Ų | 83.5 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 175.7 | -178.3 | -177.7 | 174.3 | -162.8 | -1.4 | 112 | A350 D351 L357 T358 | A350-R354 WeakPolarHBondContact O-CB 3.35Å; A350-R354 PolarHBondContact O-N 3.3Å; D351-R354 IonicContact OD1-NH1 3.15Å; R354-L357 PolarHBondContact O-N 3.27Å; R354-T358 WeakPolarHBondContact O-CB 3.32Å; R354-T358 PolarHBondContact O-N 2.96Å; R354-T358 PolarHBondContact O-OG1 3.14Å |
| 355 | S | 84.6 | Confident | 84.7 | Confident | 78 Ų | 78 | 88.2 Ų | 88.2 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | D351 V352 E353 T358 A359 | D351-S355 WeakPolarHBondContact O-CB 3.42Å; D351-S355 PolarHBondContact O-N 3.15Å; D351-S355 PolarHBondContact O-OG 3.28Å; V352-S355 PolarHBondContact O-N 2.91Å; E353-S355 VanDerWaalsContact C-N 3.29Å; E353-S355 PolarHBondContact O-N 3.27Å; S355-T358 PolarHBondContact O-N 3.47Å; S355-A359 PolarHBondContact O-N 3.47Å |
| 356 | S | 81.2 | Confident | 84.8 | Confident | 63 Ų | 63 | 91.5 Ų | 91.5 | 44% | 0.441 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | V352 E353 T358 A359 Q360 | V352-S356 PolarHBondContact O-N 2.99Å; E353-S356 WeakPolarHBondContact O-CB 3.5Å; E353-S356 PolarHBondContact O-N 3.3Å; S356-T358 VanDerWaalsContact C-N 3.33Å; S356-T358 PolarHBondContact O-N 3.38Å; S356-A359 WeakPolarHBondContact O-CB 3.33Å; S356-A359 PolarHBondContact O-N 2.88Å; S356-Q360 WeakPolarHBondContact O-CG 3.44Å; S356-Q360 PolarHBondContact O-N 3.15Å; S356-Q360 PolarHBondContact OG-NE2 3.31Å; S356-Q360 VanDerWaalsContact OG-NE2 3.16Å |
| 357 | L | 84 | Confident | 85 | Confident | 97 Ų | 97 | 89 Ų | 89 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 176.9 | -69.3 | 172.4 | 0 | 0 | 0 | 112.2 | E353 R354 A359 Q360 I361 | E353-L357 WeakPolarHBondContact O-CG 3.38Å; E353-L357 PolarHBondContact O-N 3.06Å; R354-L357 PolarHBondContact O-N 3.27Å; L357-A359 VanDerWaalsContact C-N 3.35Å; L357-A359 PolarHBondContact O-N 2.88Å; L357-Q360 PolarHBondContact O-N 3.42Å; L357-I361 VanDerWaalsContact O-CG1 3.32Å; L357-I361 WeakPolarHBondContact O-CG1 3.4Å; L357-I361 PolarHBondContact O-N 3.32Å |
| 358 | T | 85.9 | Confident | 84.6 | Confident | 74 Ų | 74 | 88.6 Ų | 88.6 | 45% | 0.454 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 176.3 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | R354 S355 S356 S362 | R354-T358 WeakPolarHBondContact O-CB 3.32Å; R354-T358 PolarHBondContact O-N 2.96Å; R354-T358 PolarHBondContact O-OG1 3.14Å; S355-T358 PolarHBondContact O-N 3.47Å; S356-T358 VanDerWaalsContact C-N 3.33Å; S356-T358 PolarHBondContact O-N 3.38Å; T358-S362 WeakPolarHBondContact O-CB 3.32Å; T358-S362 PolarHBondContact O-N 2.85Å; T358-S362 PolarHBondContact O-OG 3.49Å |
| 359 | A | 88.4 | Confident | 84.2 | Confident | 53 Ų | 53 | 85.4 Ų | 85.4 | 44% | 0.438 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S355 S356 L357 S362 I363 | S355-A359 PolarHBondContact O-N 3.47Å; S356-A359 WeakPolarHBondContact O-CB 3.33Å; S356-A359 PolarHBondContact O-N 2.88Å; L357-A359 VanDerWaalsContact C-N 3.35Å; L357-A359 PolarHBondContact O-N 2.88Å; A359-S362 WeakPolarHBondContact O-CB 3.45Å; A359-S362 PolarHBondContact O-N 2.98Å; A359-S362 VanDerWaalsContact O-N 3.16Å; A359-I363 WeakPolarHBondContact O-CG1 3.47Å; A359-I363 PolarHBondContact O-N 2.93Å |
| 360 | Q | 89.3 | Confident | 84 | Confident | 97 Ų | 97 | 86.3 Ų | 86.3 | 45% | 0.453 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176 | -68.9 | 171.4 | 44.9 | 0 | 0 | 112.2 | S356 L357 S362 I363 L364 | S356-Q360 WeakPolarHBondContact O-CG 3.44Å; S356-Q360 PolarHBondContact O-N 3.15Å; S356-Q360 PolarHBondContact OG-NE2 3.31Å; S356-Q360 VanDerWaalsContact OG-NE2 3.16Å; L357-Q360 PolarHBondContact O-N 3.42Å; Q360-S362 VanDerWaalsContact C-N 3.26Å; Q360-S362 PolarHBondContact O-N 3.14Å; Q360-I363 WeakPolarHBondContact O-CB 3.44Å; Q360-I363 PolarHBondContact O-N 3.28Å; Q360-I363 VanDerWaalsContact O-N 3.16Å; Q360-L364 WeakPolarHBondContact O-CG 3.23Å; Q360-L364 PolarHBondContact O-N 3.05Å |
| 361 | I | 83.1 | Confident | 83.5 | Confident | 88 Ų | 88 | 87 Ų | 87 | 45% | 0.451 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 174.5 | -70.3 | 166.4 | 0 | 0 | 0 | 111.1 | L357 L364 K365 | L357-I361 VanDerWaalsContact O-CG1 3.32Å; L357-I361 WeakPolarHBondContact O-CG1 3.4Å; L357-I361 PolarHBondContact O-N 3.32Å; I361-L364 PolarHBondContact O-N 3.46Å; I361-K365 HydrophobicContact CG2-CD 4.14Å; I361-K365 HydrophobicContact CG2-CG 4.43Å; I361-K365 WeakPolarHBondContact O-CB 3.34Å; I361-K365 WeakPolarHBondContact O-CG 3.4Å; I361-K365 PolarHBondContact O-N 3.23Å |
| 362 | S | 86.4 | Confident | 83.1 | Confident | 54 Ų | 54 | 92 Ų | 92 | 38% | 0.378 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.1 | -31.2 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | T358 A359 Q360 R366 | T358-S362 WeakPolarHBondContact O-CB 3.32Å; T358-S362 PolarHBondContact O-N 2.85Å; T358-S362 PolarHBondContact O-OG 3.49Å; A359-S362 WeakPolarHBondContact O-CB 3.45Å; A359-S362 PolarHBondContact O-N 2.98Å; A359-S362 VanDerWaalsContact O-N 3.16Å; Q360-S362 VanDerWaalsContact C-N 3.26Å; Q360-S362 PolarHBondContact O-N 3.14Å; S362-R366 PolarHBondContact O-N 2.93Å |
| 363 | I | 87.8 | Confident | 82.3 | Confident | 73 Ų | 73 | 94 Ų | 94 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -53.5 | 170.6 | -68.2 | 163.5 | 0 | 0 | 0 | 109.7 | A359 Q360 K365 R366 E367 | A359-I363 WeakPolarHBondContact O-CG1 3.47Å; A359-I363 PolarHBondContact O-N 2.93Å; Q360-I363 WeakPolarHBondContact O-CB 3.44Å; Q360-I363 PolarHBondContact O-N 3.28Å; Q360-I363 VanDerWaalsContact O-N 3.16Å; I363-K365 VanDerWaalsContact C-N 3.31Å; I363-K365 PolarHBondContact O-N 3.38Å; I363-R366 WeakPolarHBondContact O-CA 3.3Å; I363-R366 WeakPolarHBondContact O-CB 3.47Å; I363-R366 PolarHBondContact O-N 3.12Å; I363-E367 HydrophobicContact CG2-CG 4.35Å; I363-E367 WeakPolarHBondContact CG2-OE1 3.28Å; I363-E367 PolarHBondContact O-N 3.33Å |
| 364 | L | 88.1 | Confident | 81.6 | Confident | 108 Ų | 108 | 91 Ų | 91 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.2 | -39.6 | 179.5 | -71 | 169.9 | 0 | 0 | 0 | 112.7 | Q360 I361 R366 E367 L368 | Q360-L364 WeakPolarHBondContact O-CG 3.23Å; Q360-L364 PolarHBondContact O-N 3.05Å; I361-L364 PolarHBondContact O-N 3.46Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.25Å; L364-E367 PolarHBondContact O-N 3.29Å; L364-L368 VanDerWaalsContact O-CB 3.29Å; L364-L368 WeakPolarHBondContact O-CB 3.34Å; L364-L368 PolarHBondContact O-N 3.49Å |
| 365 | K | 86.8 | Confident | 80.5 | Confident | 144 Ų | 144 | 90 Ų | 90 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.8 | -38.5 | 173.9 | -79.3 | 179.2 | 178.1 | 179.8 | 0 | 112.4 | I361 I363 A369 | I361-K365 HydrophobicContact CG2-CD 4.14Å; I361-K365 HydrophobicContact CG2-CG 4.43Å; I361-K365 WeakPolarHBondContact O-CB 3.34Å; I361-K365 WeakPolarHBondContact O-CG 3.4Å; I361-K365 PolarHBondContact O-N 3.23Å; I363-K365 VanDerWaalsContact C-N 3.31Å; I363-K365 PolarHBondContact O-N 3.38Å; K365-A369 WeakPolarHBondContact O-CB 3.46Å; K365-A369 PolarHBondContact O-N 3.16Å |
| 366 | R | 85.1 | Confident | 79.7 | Confident | 143 Ų | 143 | 89.9 Ų | 89.9 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -48.4 | 174.4 | -103.8 | -176.2 | -74.3 | 106.6 | -3.9 | 111.3 | S362 I363 L364 L368 A369 T370 | S362-R366 PolarHBondContact O-N 2.93Å; I363-R366 WeakPolarHBondContact O-CA 3.3Å; I363-R366 WeakPolarHBondContact O-CB 3.47Å; I363-R366 PolarHBondContact O-N 3.12Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.25Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 3.42Å; R366-A369 WeakPolarHBondContact O-CB 3.42Å; R366-A369 PolarHBondContact O-N 3.21Å; R366-A369 VanDerWaalsContact O-N 3.09Å; R366-T370 PolarHBondContact O-N 3.07Å; R366-T370 PolarHBondContact O-OG1 3.01Å; R366-T370 VanDerWaalsContact O-OG1 3.12Å |
| 367 | E | 86.8 | Confident | 78.8 | Confident | 111 Ų | 111 | 95.9 Ų | 95.9 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 178.2 | -69.1 | 171.3 | 171.7 | 0 | 0 | 111.8 | I363 L364 T370 A371 | I363-E367 HydrophobicContact CG2-CG 4.35Å; I363-E367 WeakPolarHBondContact CG2-OE1 3.28Å; I363-E367 PolarHBondContact O-N 3.33Å; L364-E367 PolarHBondContact O-N 3.29Å; E367-T370 PolarHBondContact O-N 3Å; E367-A371 WeakPolarHBondContact O-CB 3.39Å; E367-A371 PolarHBondContact O-N 3.34Å |
| 368 | L | 74.9 | Confident | 77.9 | Confident | 97 Ų | 97 | 100 Ų | 100 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 173.6 | -168.3 | 85.9 | 0 | 0 | 0 | 112.2 | L364 R366 R372 | L364-L368 VanDerWaalsContact O-CB 3.29Å; L364-L368 WeakPolarHBondContact O-CB 3.34Å; L364-L368 PolarHBondContact O-N 3.49Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 3.42Å; L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.4Å; L368-R372 PolarHBondContact O-N 2.87Å |
| 369 | A | 77.3 | Confident | 76.6 | Confident | 51 Ų | 51 | 98.8 Ų | 98.8 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K365 R366 A371 R372 E373 | K365-A369 WeakPolarHBondContact O-CB 3.46Å; K365-A369 PolarHBondContact O-N 3.16Å; R366-A369 WeakPolarHBondContact O-CB 3.42Å; R366-A369 PolarHBondContact O-N 3.21Å; R366-A369 VanDerWaalsContact O-N 3.09Å; A369-A371 PolarHBondContact O-N 3.31Å; A369-R372 WeakPolarHBondContact O-CB 3.45Å; A369-R372 PolarHBondContact O-N 2.87Å; A369-E373 WeakPolarHBondContact O-CB 3.47Å; A369-E373 PolarHBondContact O-N 2.87Å |
| 370 | T | 77.8 | Confident | 74.9 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 174.9 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | R366 E367 R372 E373 D374 | R366-T370 PolarHBondContact O-N 3.07Å; R366-T370 PolarHBondContact O-OG1 3.01Å; R366-T370 VanDerWaalsContact O-OG1 3.12Å; E367-T370 PolarHBondContact O-N 3Å; T370-R372 VanDerWaalsContact C-N 3.31Å; T370-R372 PolarHBondContact O-N 3.27Å; T370-E373 PolarHBondContact O-N 3.48Å; T370-E373 VanDerWaalsContact O-N 3.16Å; T370-D374 WeakPolarHBondContact O-CB 3.3Å; T370-D374 PolarHBondContact O-N 3.02Å |
| 371 | A | 71.2 | Confident | 73.3 | Confident | 51 Ų | 51 | 95.4 Ų | 95.4 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -35 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E367 A369 L375 | E367-A371 WeakPolarHBondContact O-CB 3.39Å; E367-A371 PolarHBondContact O-N 3.34Å; A369-A371 PolarHBondContact O-N 3.31Å; A371-L375 PolarHBondContact O-N 3.14Å |
| 372 | R | 71.5 | Confident | 72.1 | Confident | 175 Ų | 175 | 96 Ų | 96 | 66% | 0.66 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.3 | -40.3 | 172.8 | -74.7 | 171.4 | 172.8 | -175.9 | -2.4 | 112.1 | L368 A369 T370 L375 A376 | L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.4Å; L368-R372 PolarHBondContact O-N 2.87Å; A369-R372 WeakPolarHBondContact O-CB 3.45Å; A369-R372 PolarHBondContact O-N 2.87Å; T370-R372 VanDerWaalsContact C-N 3.31Å; T370-R372 PolarHBondContact O-N 3.27Å; R372-L375 WeakPolarHBondContact O-CB 3.44Å; R372-L375 PolarHBondContact O-N 2.68Å; R372-A376 PolarHBondContact O-N 2.84Å |
| 373 | E | 70.7 | Confident | 71.1 | Confident | 99 Ų | 99 | 99.9 Ų | 99.9 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.4 | -38.8 | 179.3 | -157 | -176.9 | 160.6 | 0 | 0 | 111.6 | A369 T370 L375 A376 R377 | A369-E373 WeakPolarHBondContact O-CB 3.47Å; A369-E373 PolarHBondContact O-N 2.87Å; T370-E373 PolarHBondContact O-N 3.48Å; T370-E373 VanDerWaalsContact O-N 3.16Å; E373-L375 VanDerWaalsContact C-N 3.35Å; E373-A376 PolarHBondContact O-N 3.25Å; E373-R377 WeakPolarHBondContact O-CB 3.46Å; E373-R377 VanDerWaalsContact O-CG 3.31Å; E373-R377 WeakPolarHBondContact O-CG 3.11Å; E373-R377 PolarHBondContact O-N 3.47Å; E373-R377 IonicContact OE1-CZ 2.91Å; E373-R377 IonicContact OE1-NE 3.82Å; E373-R377 PolarHBondContact OE1-NE 3.43Å; E373-R377 IonicContact OE1-NH2 3.15Å; E373-R377 PolarHBondContact OE1-NH2 3.46Å |
| 374 | D | 70.9 | Confident | 69.9 | Low | 75 Ų | 75 | 101.9 Ų | 101.9 | 40% | 0.401 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 170.7 | -84.9 | -10.6 | 0 | 0 | 0 | 112.2 | T370 R378 | T370-D374 WeakPolarHBondContact O-CB 3.3Å; T370-D374 PolarHBondContact O-N 3.02Å; D374-R378 WeakPolarHBondContact O-CB 3.48Å; D374-R378 WeakPolarHBondContact O-CD 3.4Å; D374-R378 WeakPolarHBondContact O-CG 3.37Å; D374-R378 PolarHBondContact O-N 2.97Å; D374-R378 VanDerWaalsContact O-N 3.1Å |
| 375 | L | 59.5 | Low | 68.7 | Low | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 172.3 | -118.4 | 88.8 | 0 | 0 | 0 | 110.8 | A371 R372 E373 R378 L385 | A371-L375 PolarHBondContact O-N 3.14Å; R372-L375 WeakPolarHBondContact O-CB 3.44Å; R372-L375 PolarHBondContact O-N 2.68Å; E373-L375 VanDerWaalsContact C-N 3.35Å; L375-R378 PolarHBondContact O-N 3.19Å; L375-L385 HydrophobicContact CD2-CD1 3.7Å; L375-L385 HydrophobicContact CG-CD1 4.25Å |
| 376 | A | 66.7 | Low | 68 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -42.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R372 E373 R378 G379 | R372-A376 PolarHBondContact O-N 2.84Å; E373-A376 PolarHBondContact O-N 3.25Å; A376-R378 VanDerWaalsContact C-N 3.31Å; A376-R378 PolarHBondContact O-N 3.25Å; A376-G379 PolarHBondContact O-N 3.3Å |
| 377 | R | 63.3 | Low | 67.6 | Low | 189 Ų | 189 | 95 Ų | 95 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -31.8 | 177.6 | -75.4 | 177.6 | -175.4 | -135.4 | 4.8 | 113.2 | E373 G379 | E373-R377 WeakPolarHBondContact O-CB 3.46Å; E373-R377 VanDerWaalsContact O-CG 3.31Å; E373-R377 WeakPolarHBondContact O-CG 3.11Å; E373-R377 PolarHBondContact O-N 3.47Å; E373-R377 IonicContact OE1-CZ 2.91Å; E373-R377 IonicContact OE1-NE 3.82Å; E373-R377 PolarHBondContact OE1-NE 3.43Å; E373-R377 IonicContact OE1-NH2 3.15Å; E373-R377 PolarHBondContact OE1-NH2 3.46Å; R377-G379 PolarHBondContact O-N 2.94Å |
| 378 | R | 65.2 | Low | 67.1 | Low | 184 Ų | 184 | 93.2 Ų | 93.2 | 69% | 0.694 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -4.6 | 173.4 | -71.1 | 167.3 | -173.2 | -116.6 | 1.5 | 113.1 | D374 L375 A376 V380 | D374-R378 WeakPolarHBondContact O-CB 3.48Å; D374-R378 WeakPolarHBondContact O-CD 3.4Å; D374-R378 WeakPolarHBondContact O-CG 3.37Å; D374-R378 PolarHBondContact O-N 2.97Å; D374-R378 VanDerWaalsContact O-N 3.1Å; L375-R378 PolarHBondContact O-N 3.19Å; A376-R378 VanDerWaalsContact C-N 3.31Å; A376-R378 PolarHBondContact O-N 3.25Å; R378-V380 HydrophobicContact CB-CG2 4.07Å; R378-V380 PolarHBondContact O-N 3.03Å; R378-V380 VanDerWaalsContact O-N 3.11Å |
| 379 | G | 58.7 | Low | 67.1 | Low | 49 Ų | 49 | 92 Ų | 92 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -12.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | A376 R377 G381 | A376-G379 PolarHBondContact O-N 3.3Å; R377-G379 PolarHBondContact O-N 2.94Å; G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 3.22Å |
| 380 | V | 52.6 | Low | 67.5 | Low | 49 Ų | 49 | 94 Ų | 94 | 30% | 0.297 | 50% | 0.496 | S | S | . | . | trans | -73 | 81.7 | -173.6 | -168.4 | 0 | 0 | 0 | 0 | 110.3 | R378 E384 L385 | R378-V380 HydrophobicContact CB-CG2 4.07Å; R378-V380 PolarHBondContact O-N 3.03Å; R378-V380 VanDerWaalsContact O-N 3.11Å; V380-E384 HydrophobicContact CG1-CB 4Å; V380-L385 HydrophobicContact CG1-CB 3.79Å; V380-L385 HydrophobicContact CG1-CD1 3.97Å; V380-L385 HydrophobicContact CG1-CG 3.78Å | ||
| 381 | G | 54.4 | Low | 67.8 | Low | 29 Ų | 29 | 97.8 Ų | 97.8 | 30% | 0.299 | 50% | 0.501 | S | S | . | . | trans | -59.4 | 160 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G379 I383 E384 L385 | G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 3.22Å; G381-I383 PolarHBondContact O-N 2.98Å; G381-E384 PolarHBondContact O-N 2.93Å; G381-L385 PolarHBondContact O-N 3Å | ||
| 382 | P | 58.3 | Low | 68.6 | Low | 100 Ų | 100 | 99.8 Ų | 99.8 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -50.5 | -38.7 | -179.1 | -28.9 | 35.5 | 0 | 0 | 0 | 113.5 | E384 L385 E386 | P382-E384 PolarHBondContact O-N 3.46Å; P382-L385 PolarHBondContact O-N 3.44Å; P382-E386 WeakPolarHBondContact O-CB 3.42Å; P382-E386 WeakPolarHBondContact O-CG 3.31Å; P382-E386 PolarHBondContact O-N 3.41Å |
| 383 | I | 66.1 | Low | 69.4 | Low | 137 Ų | 137 | 97.2 Ų | 97.2 | 70% | 0.703 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 177.5 | -63 | 170.6 | 0 | 0 | 0 | 112.3 | G381 A387 | G381-I383 PolarHBondContact O-N 2.98Å; I383-A387 VanDerWaalsContact O-CB 3.27Å; I383-A387 WeakPolarHBondContact O-CB 3.49Å; I383-A387 PolarHBondContact O-N 3Å |
| 384 | E | 61.2 | Low | 70.3 | Confident | 114 Ų | 114 | 95 Ų | 95 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.8 | -34.2 | 178.3 | -62.7 | -173.8 | 172.1 | 0 | 0 | 111.5 | V380 G381 P382 A387 E388 | V380-E384 HydrophobicContact CG1-CB 4Å; G381-E384 PolarHBondContact O-N 2.93Å; P382-E384 PolarHBondContact O-N 3.46Å; E384-A387 PolarHBondContact O-N 3.13Å; E384-E388 PolarHBondContact O-N 3.16Å |
| 385 | L | 62.9 | Low | 71.3 | Confident | 65 Ų | 65 | 96.2 Ų | 96.2 | 34% | 0.34 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 175.1 | -135.3 | 155.9 | 0 | 0 | 0 | 110.8 | L375 V380 G381 P382 E388 I389 | L375-L385 HydrophobicContact CD2-CD1 3.7Å; L375-L385 HydrophobicContact CG-CD1 4.25Å; V380-L385 HydrophobicContact CG1-CB 3.79Å; V380-L385 HydrophobicContact CG1-CD1 3.97Å; V380-L385 HydrophobicContact CG1-CG 3.78Å; G381-L385 PolarHBondContact O-N 3Å; P382-L385 PolarHBondContact O-N 3.44Å; L385-E388 PolarHBondContact O-N 2.91Å; L385-I389 HydrophobicContact CD2-CD1 3.76Å; L385-I389 HydrophobicContact CD2-CG1 4.28Å; L385-I389 WeakPolarHBondContact O-CB 3.42Å; L385-I389 WeakPolarHBondContact O-CD1 3.45Å; L385-I389 WeakPolarHBondContact O-CG1 3.35Å; L385-I389 PolarHBondContact O-N 3.34Å |
| 386 | E | 72.8 | Confident | 72.8 | Confident | 131 Ų | 131 | 99.3 Ų | 99.3 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -43 | 169.7 | -74.9 | 176.9 | 160.6 | 0 | 0 | 111.8 | P382 I389 E390 | P382-E386 WeakPolarHBondContact O-CB 3.42Å; P382-E386 WeakPolarHBondContact O-CG 3.31Å; P382-E386 PolarHBondContact O-N 3.41Å; E386-I389 PolarHBondContact O-N 2.96Å; E386-E390 WeakPolarHBondContact O-CB 3.46Å; E386-E390 PolarHBondContact O-N 2.95Å |
| 387 | A | 75.8 | Confident | 74 | Confident | 55 Ų | 55 | 99.5 Ų | 99.5 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I383 E384 E390 R391 | I383-A387 VanDerWaalsContact O-CB 3.27Å; I383-A387 WeakPolarHBondContact O-CB 3.49Å; I383-A387 PolarHBondContact O-N 3Å; E384-A387 PolarHBondContact O-N 3.13Å; A387-E390 PolarHBondContact O-N 2.72Å; A387-R391 WeakPolarHBondContact O-CB 3.3Å; A387-R391 PolarHBondContact O-N 3.04Å |
| 388 | E | 78.1 | Confident | 75.4 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 35% | 0.346 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.2 | -32.8 | 175.5 | -171 | 58.1 | -153.2 | 0 | 0 | 112.1 | E384 L385 E390 R391 L392 K395 | E384-E388 PolarHBondContact O-N 3.16Å; L385-E388 PolarHBondContact O-N 2.91Å; E388-E390 VanDerWaalsContact C-N 3.29Å; E388-E390 PolarHBondContact O-N 3.17Å; E388-R391 CarbonylContact O-C 3.57Å; E388-R391 WeakPolarHBondContact O-CB 3.45Å; E388-R391 PolarHBondContact O-N 2.97Å; E388-R391 WeakPolarHBondContact OE2-CD 3.47Å; E388-L392 HydrophobicContact CG-CD1 4.14Å; E388-L392 HydrophobicContact CG-CG 4.24Å; E388-L392 VanDerWaalsContact O-CB 3.3Å; E388-L392 WeakPolarHBondContact O-CB 3.35Å; E388-L392 WeakPolarHBondContact O-CG 3.5Å; E388-L392 PolarHBondContact O-N 3.26Å; E388-K395 IonicContact OE1-NZ 2.63Å; E388-K395 PolarHBondContact OE1-NZ 2.93Å |
| 389 | I | 74.9 | Confident | 76.6 | Confident | 72 Ų | 72 | 93.3 Ų | 93.3 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 168.7 | -75.6 | 165.4 | 0 | 0 | 0 | 110.1 | L385 E386 L392 R393 | L385-I389 HydrophobicContact CD2-CD1 3.76Å; L385-I389 HydrophobicContact CD2-CG1 4.28Å; L385-I389 WeakPolarHBondContact O-CB 3.42Å; L385-I389 WeakPolarHBondContact O-CD1 3.45Å; L385-I389 WeakPolarHBondContact O-CG1 3.35Å; L385-I389 PolarHBondContact O-N 3.34Å; E386-I389 PolarHBondContact O-N 2.96Å; I389-L392 PolarHBondContact O-N 2.88Å; I389-R393 VanDerWaalsContact O-CG 3.32Å; I389-R393 WeakPolarHBondContact O-CG 3.35Å; I389-R393 PolarHBondContact O-N 3.43Å |
| 390 | E | 86 | Confident | 78.2 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.8 | -33.6 | 178.7 | -161.9 | 50.1 | -130.5 | 0 | 0 | 112.1 | E386 A387 E388 R393 S394 | E386-E390 WeakPolarHBondContact O-CB 3.46Å; E386-E390 PolarHBondContact O-N 2.95Å; A387-E390 PolarHBondContact O-N 2.72Å; E388-E390 VanDerWaalsContact C-N 3.29Å; E388-E390 PolarHBondContact O-N 3.17Å; E390-R393 PolarHBondContact O-N 3.4Å; E390-R393 WeakPolarHBondContact OE2-CD 3.35Å; E390-R393 IonicContact OE2-CZ 3.08Å; E390-R393 IonicContact OE2-NE 3.97Å; E390-R393 IonicContact OE2-NH1 2.63Å; E390-R393 PolarHBondContact OE2-NH1 2.91Å; E390-S394 VanDerWaalsContact O-CB 3.26Å; E390-S394 WeakPolarHBondContact O-CB 3.43Å; E390-S394 PolarHBondContact O-N 3.3Å; E390-S394 PolarHBondContact O-OG 2.93Å; E390-S394 VanDerWaalsContact O-OG 3.1Å |
| 391 | R | 84 | Confident | 80.2 | Confident | 156 Ų | 156 | 100.3 Ų | 100.3 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 170.5 | -143.5 | -177 | -164.2 | 104.3 | -1.8 | 112 | A387 E388 K395 | A387-R391 WeakPolarHBondContact O-CB 3.3Å; A387-R391 PolarHBondContact O-N 3.04Å; E388-R391 CarbonylContact O-C 3.57Å; E388-R391 WeakPolarHBondContact O-CB 3.45Å; E388-R391 PolarHBondContact O-N 2.97Å; E388-R391 WeakPolarHBondContact OE2-CD 3.47Å; R391-K395 VanDerWaalsContact O-CG 3.31Å; R391-K395 WeakPolarHBondContact O-CG 3.46Å; R391-K395 PolarHBondContact O-N 3.38Å |
| 392 | L | 86.1 | Confident | 82 | Confident | 93 Ų | 93 | 106.5 Ų | 106.5 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 177 | -74.2 | 168.8 | 0 | 0 | 0 | 111.7 | E388 I389 K395 R396 | E388-L392 HydrophobicContact CG-CD1 4.14Å; E388-L392 HydrophobicContact CG-CG 4.24Å; E388-L392 VanDerWaalsContact O-CB 3.3Å; E388-L392 WeakPolarHBondContact O-CB 3.35Å; E388-L392 WeakPolarHBondContact O-CG 3.5Å; E388-L392 PolarHBondContact O-N 3.26Å; I389-L392 PolarHBondContact O-N 2.88Å; L392-K395 HydrophobicContact CD2-CD 4.17Å; L392-K395 PolarHBondContact O-N 3.39Å; L392-R396 WeakPolarHBondContact O-CB 3.32Å; L392-R396 PolarHBondContact O-N 2.77Å |
| 393 | R | 89.9 | Confident | 83.3 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 46% | 0.457 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.6 | -49.4 | 168.9 | -72.7 | 165.8 | 174.8 | -177.8 | -0.4 | 110.8 | I389 E390 K395 R396 D397 | I389-R393 VanDerWaalsContact O-CG 3.32Å; I389-R393 WeakPolarHBondContact O-CG 3.35Å; I389-R393 PolarHBondContact O-N 3.43Å; E390-R393 PolarHBondContact O-N 3.4Å; E390-R393 WeakPolarHBondContact OE2-CD 3.35Å; E390-R393 IonicContact OE2-CZ 3.08Å; E390-R393 IonicContact OE2-NE 3.97Å; E390-R393 IonicContact OE2-NH1 2.63Å; E390-R393 PolarHBondContact OE2-NH1 2.91Å; R393-K395 VanDerWaalsContact C-N 3.29Å; R393-K395 PolarHBondContact O-N 3.33Å; R393-R396 WeakPolarHBondContact O-CB 3.45Å; R393-R396 PolarHBondContact O-N 3.36Å; R393-D397 PolarHBondContact O-N 2.94Å |
| 394 | S | 89.8 | Confident | 84.6 | Confident | 52 Ų | 52 | 108 Ų | 108 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.1 | -27.1 | 175.4 | -72.8 | 0 | 0 | 0 | 0 | 114.3 | E390 R398 | E390-S394 VanDerWaalsContact O-CB 3.26Å; E390-S394 WeakPolarHBondContact O-CB 3.43Å; E390-S394 PolarHBondContact O-N 3.3Å; E390-S394 PolarHBondContact O-OG 2.93Å; E390-S394 VanDerWaalsContact O-OG 3.1Å; S394-R398 WeakPolarHBondContact O-CG 3.46Å; S394-R398 PolarHBondContact O-NE 3.47Å |
| 395 | K | 91.7 | Very high | 86 | Confident | 100 Ų | 100 | 109.8 Ų | 109.8 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.4 | -49.6 | 170.9 | -78.1 | 164.7 | -178.6 | 163.3 | 0 | 110.4 | E388 R391 L392 R393 D397 R398 E399 | E388-K395 IonicContact OE1-NZ 2.63Å; E388-K395 PolarHBondContact OE1-NZ 2.93Å; R391-K395 VanDerWaalsContact O-CG 3.31Å; R391-K395 WeakPolarHBondContact O-CG 3.46Å; R391-K395 PolarHBondContact O-N 3.38Å; L392-K395 HydrophobicContact CD2-CD 4.17Å; L392-K395 PolarHBondContact O-N 3.39Å; R393-K395 VanDerWaalsContact C-N 3.29Å; R393-K395 PolarHBondContact O-N 3.33Å; K395-D397 VanDerWaalsContact C-N 3.32Å; K395-D397 PolarHBondContact O-N 3.19Å; K395-R398 PolarHBondContact O-N 2.96Å; K395-E399 WeakPolarHBondContact O-CB 3.39Å; K395-E399 PolarHBondContact O-N 3.28Å |
| 396 | R | 89.2 | Confident | 87.3 | Confident | 149 Ų | 149 | 110.3 Ų | 110.3 | 56% | 0.562 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -54.9 | -45.7 | 178 | -179.9 | -156.9 | 66.7 | -168 | -3.2 | 111.4 | L392 R393 E399 Y400 | L392-R396 WeakPolarHBondContact O-CB 3.32Å; L392-R396 PolarHBondContact O-N 2.77Å; R393-R396 WeakPolarHBondContact O-CB 3.45Å; R393-R396 PolarHBondContact O-N 3.36Å; R396-E399 PolarHBondContact O-N 3.06Å; R396-Y400 WeakPolarHBondContact O-CB 3.48Å; R396-Y400 PolarHBondContact O-N 3.04Å |
| 397 | D | 93.1 | Very high | 87.8 | Confident | 77 Ų | 77 | 109.7 Ų | 109.7 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.7 | -34.9 | -177.6 | -71.4 | 10.8 | 0 | 0 | 0 | 112 | R393 K395 Q401 | R393-D397 PolarHBondContact O-N 2.94Å; K395-D397 VanDerWaalsContact C-N 3.32Å; K395-D397 PolarHBondContact O-N 3.19Å; D397-Q401 VanDerWaalsContact O-CB 3.3Å; D397-Q401 WeakPolarHBondContact O-CB 3.5Å; D397-Q401 WeakPolarHBondContact O-CG 3.42Å; D397-Q401 PolarHBondContact O-N 3.49Å |
| 398 | R | 91.9 | Very high | 88.5 | Confident | 165 Ų | 165 | 110.3 Ų | 110.3 | 62% | 0.623 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.9 | -36.5 | 170.9 | -81.2 | -177.9 | -78.3 | -176.3 | -9.4 | 112.6 | S394 K395 R402 | S394-R398 WeakPolarHBondContact O-CG 3.46Å; S394-R398 PolarHBondContact O-NE 3.47Å; K395-R398 PolarHBondContact O-N 2.96Å; R398-R402 PolarHBondContact O-N 3.32Å |
| 399 | E | 91 | Very high | 89.1 | Confident | 78 Ų | 78 | 111.4 Ų | 111.4 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.8 | -39.8 | 176.4 | -175.5 | 55.8 | -156.8 | 0 | 0 | 111.6 | K395 R396 Q401 R402 R403 | K395-E399 WeakPolarHBondContact O-CB 3.39Å; K395-E399 PolarHBondContact O-N 3.28Å; R396-E399 PolarHBondContact O-N 3.06Å; E399-Q401 PolarHBondContact O-N 2.99Å; E399-R402 WeakPolarHBondContact O-CA 3.37Å; E399-R402 WeakPolarHBondContact O-CB 3.45Å; E399-R402 PolarHBondContact O-N 2.97Å; E399-R402 IonicContact OE2-NH1 2.7Å; E399-R403 WeakPolarHBondContact O-CG 3.32Å; E399-R403 PolarHBondContact O-N 3Å; E399-R403 IonicContact OE1-NE 3.46Å |
| 400 | Y | 92.6 | Very high | 89.5 | Confident | 137 Ų | 137 | 113.1 Ų | 113.1 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 169.9 | 179.3 | -98.3 | 0 | 0 | 0 | 111.4 | R396 R402 R403 K404 | R396-Y400 WeakPolarHBondContact O-CB 3.48Å; R396-Y400 PolarHBondContact O-N 3.04Å; Y400-R402 PolarHBondContact O-N 3.32Å; Y400-R403 PolarHBondContact O-N 3.41Å; Y400-K404 HydrophobicContact CE1-CD 4.33Å; Y400-K404 VanDerWaalsContact O-CB 3.31Å; Y400-K404 WeakPolarHBondContact O-CB 3.41Å; Y400-K404 PolarHBondContact O-N 3.1Å |
| 401 | Q | 93.6 | Very high | 89.6 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -18.6 | 173.1 | -74.7 | -77.2 | -2.6 | 0 | 0 | 114.1 | D397 E399 R405 | D397-Q401 VanDerWaalsContact O-CB 3.3Å; D397-Q401 WeakPolarHBondContact O-CB 3.5Å; D397-Q401 WeakPolarHBondContact O-CG 3.42Å; D397-Q401 PolarHBondContact O-N 3.49Å; E399-Q401 PolarHBondContact O-N 2.99Å; Q401-R405 PolarHBondContact O-NE 3.44Å; Q401-R405 PolarHBondContact O-NH2 3.07Å |
| 402 | R | 92.4 | Very high | 89.9 | Confident | 160 Ų | 160 | 110.5 Ų | 110.5 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -78.8 | -56.8 | 167.3 | -86.1 | -179.7 | 172.3 | 171.1 | -4.1 | 110.2 | R398 E399 Y400 K404 R405 T406 | R398-R402 PolarHBondContact O-N 3.32Å; E399-R402 WeakPolarHBondContact O-CA 3.37Å; E399-R402 WeakPolarHBondContact O-CB 3.45Å; E399-R402 PolarHBondContact O-N 2.97Å; E399-R402 IonicContact OE2-NH1 2.7Å; Y400-R402 PolarHBondContact O-N 3.32Å; R402-K404 VanDerWaalsContact C-N 3.27Å; R402-K404 PolarHBondContact O-N 3.03Å; R402-R405 WeakPolarHBondContact O-CA 3.35Å; R402-R405 WeakPolarHBondContact O-CB 3.33Å; R402-R405 PolarHBondContact O-N 2.81Å; R402-T406 PolarHBondContact O-N 3.04Å; R402-T406 PolarHBondContact O-OG1 3.35Å; R402-T406 VanDerWaalsContact O-OG1 3.11Å |
| 403 | R | 86.8 | Confident | 90 | Very high | 161 Ų | 161 | 111.7 Ų | 111.7 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -51.9 | -45.9 | -180 | -71.5 | -177 | -177.6 | -161.6 | -2 | 111.9 | E399 Y400 R405 T406 E407 | E399-R403 WeakPolarHBondContact O-CG 3.32Å; E399-R403 PolarHBondContact O-N 3Å; E399-R403 IonicContact OE1-NE 3.46Å; Y400-R403 PolarHBondContact O-N 3.41Å; R403-R405 VanDerWaalsContact C-N 3.31Å; R403-R405 PolarHBondContact O-N 2.96Å; R403-T406 CarbonylContact O-C 3.41Å; R403-T406 WeakPolarHBondContact O-CA 3.33Å; R403-T406 PolarHBondContact O-N 3.46Å; R403-E407 WeakPolarHBondContact O-CG 3.39Å; R403-E407 PolarHBondContact O-N 3.25Å |
| 404 | K | 92.5 | Very high | 89.7 | Confident | 107 Ų | 107 | 111.9 Ų | 111.9 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 176.9 | -171.6 | 168 | -174.1 | 168.7 | 0 | 113.4 | Y400 R402 T408 | Y400-K404 HydrophobicContact CE1-CD 4.33Å; Y400-K404 VanDerWaalsContact O-CB 3.31Å; Y400-K404 WeakPolarHBondContact O-CB 3.41Å; Y400-K404 PolarHBondContact O-N 3.1Å; R402-K404 VanDerWaalsContact C-N 3.27Å; R402-K404 PolarHBondContact O-N 3.03Å; K404-T408 PolarHBondContact O-N 2.93Å; K404-T408 VanDerWaalsContact O-N 3.08Å; K404-T408 PolarHBondContact O-OG1 2.92Å |
| 405 | R | 91.9 | Very high | 89.6 | Confident | 151 Ų | 151 | 114.6 Ų | 114.6 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.1 | -45.4 | 172.1 | -81 | 178.8 | -78.7 | -171.6 | -6.7 | 111 | Q401 R402 R403 E407 T408 D409 | Q401-R405 PolarHBondContact O-NE 3.44Å; Q401-R405 PolarHBondContact O-NH2 3.07Å; R402-R405 WeakPolarHBondContact O-CA 3.35Å; R402-R405 WeakPolarHBondContact O-CB 3.33Å; R402-R405 PolarHBondContact O-N 2.81Å; R403-R405 VanDerWaalsContact C-N 3.31Å; R403-R405 PolarHBondContact O-N 2.96Å; R405-E407 VanDerWaalsContact C-N 3.35Å; R405-E407 PolarHBondContact O-N 3.48Å; R405-T408 WeakPolarHBondContact O-CA 3.45Å; R405-T408 WeakPolarHBondContact O-CB 3.44Å; R405-T408 PolarHBondContact O-N 3.28Å; R405-T408 VanDerWaalsContact O-N 3.1Å; R405-D409 VanDerWaalsContact O-CG 3.28Å; R405-D409 PolarHBondContact O-N 3.22Å |
| 406 | T | 88.4 | Confident | 89.4 | Confident | 77 Ų | 77 | 115.1 Ų | 115.1 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 177.9 | -44.3 | 0 | 0 | 0 | 0 | 113 | R402 R403 D409 L410 | R402-T406 PolarHBondContact O-N 3.04Å; R402-T406 PolarHBondContact O-OG1 3.35Å; R402-T406 VanDerWaalsContact O-OG1 3.11Å; R403-T406 CarbonylContact O-C 3.41Å; R403-T406 WeakPolarHBondContact O-CA 3.33Å; R403-T406 PolarHBondContact O-N 3.46Å; T406-D409 PolarHBondContact O-N 3.45Å; T406-L410 HydrophobicContact CG2-CD1 4.47Å; T406-L410 WeakPolarHBondContact O-CB 3.34Å; T406-L410 VanDerWaalsContact O-CG 3.25Å; T406-L410 WeakPolarHBondContact O-CG 3.35Å; T406-L410 PolarHBondContact O-N 2.97Å |
| 407 | E | 84.9 | Confident | 89.2 | Confident | 117 Ų | 117 | 112.1 Ų | 112.1 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 169.9 | -77.3 | 171.3 | 148 | 0 | 0 | 111 | R403 R405 D409 L410 E411 | R403-E407 WeakPolarHBondContact O-CG 3.39Å; R403-E407 PolarHBondContact O-N 3.25Å; R405-E407 VanDerWaalsContact C-N 3.35Å; R405-E407 PolarHBondContact O-N 3.48Å; E407-D409 VanDerWaalsContact C-N 3.33Å; E407-D409 PolarHBondContact O-N 3.01Å; E407-L410 PolarHBondContact O-N 3.49Å; E407-E411 PolarHBondContact O-N 3.25Å |
| 408 | T | 89.6 | Confident | 89 | Confident | 69 Ų | 69 | 113.5 Ų | 113.5 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176 | -47.4 | 0 | 0 | 0 | 0 | 111.3 | K404 R405 N412 | K404-T408 PolarHBondContact O-N 2.93Å; K404-T408 VanDerWaalsContact O-N 3.08Å; K404-T408 PolarHBondContact O-OG1 2.92Å; R405-T408 WeakPolarHBondContact O-CA 3.45Å; R405-T408 WeakPolarHBondContact O-CB 3.44Å; R405-T408 PolarHBondContact O-N 3.28Å; R405-T408 VanDerWaalsContact O-N 3.1Å; T408-N412 VanDerWaalsContact O-CG 3.22Å; T408-N412 PolarHBondContact O-N 3.25Å; T408-N412 PolarHBondContact O-ND2 3.42Å; T408-N412 VanDerWaalsContact O-ND2 3.11Å |
| 409 | D | 90.3 | Very high | 88.7 | Confident | 96 Ų | 96 | 111.6 Ų | 111.6 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 175.9 | -64.8 | -29.9 | 0 | 0 | 0 | 111.3 | R405 T406 E407 N412 M413 | R405-D409 VanDerWaalsContact O-CG 3.28Å; R405-D409 PolarHBondContact O-N 3.22Å; T406-D409 PolarHBondContact O-N 3.45Å; E407-D409 VanDerWaalsContact C-N 3.33Å; E407-D409 PolarHBondContact O-N 3.01Å; D409-N412 PolarHBondContact O-N 3.14Å; D409-M413 WeakPolarHBondContact O-CB 3.38Å; D409-M413 VanDerWaalsContact O-CG 3.26Å; D409-M413 WeakPolarHBondContact O-CG 3.47Å; D409-M413 PolarHBondContact O-N 3.15Å |
| 410 | L | 84.5 | Confident | 88.2 | Confident | 109 Ų | 109 | 112.2 Ų | 112.2 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -42.9 | 175.1 | -77.4 | 169.1 | 0 | 0 | 0 | 112.3 | T406 E407 N412 M413 E414 | T406-L410 HydrophobicContact CG2-CD1 4.47Å; T406-L410 WeakPolarHBondContact O-CB 3.34Å; T406-L410 VanDerWaalsContact O-CG 3.25Å; T406-L410 WeakPolarHBondContact O-CG 3.35Å; T406-L410 PolarHBondContact O-N 2.97Å; E407-L410 PolarHBondContact O-N 3.49Å; L410-N412 VanDerWaalsContact C-N 3.3Å; L410-N412 PolarHBondContact O-N 3.33Å; L410-M413 PolarHBondContact O-N 2.86Å; L410-E414 VanDerWaalsContact O-CB 3.27Å; L410-E414 WeakPolarHBondContact O-CB 3.47Å; L410-E414 PolarHBondContact O-N 2.92Å |
| 411 | E | 88 | Confident | 87.8 | Confident | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 173.2 | -80.6 | -170.3 | -167.1 | 0 | 0 | 112.1 | E407 E414 K415 | E407-E411 PolarHBondContact O-N 3.25Å; E411-E414 PolarHBondContact O-N 2.63Å; E411-K415 WeakPolarHBondContact O-CB 3.47Å; E411-K415 VanDerWaalsContact O-CG 3.31Å; E411-K415 WeakPolarHBondContact O-CG 3.27Å; E411-K415 PolarHBondContact O-N 2.78Å; E411-K415 IonicContact OE2-NZ 2.61Å; E411-K415 PolarHBondContact OE2-NZ 3.5Å |
| 412 | N | 89.8 | Confident | 87.1 | Confident | 84 Ų | 84 | 111.7 Ų | 111.7 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -46.3 | 177 | -72.3 | -30.1 | 0 | 0 | 0 | 111 | T408 D409 L410 E414 K415 E416 | T408-N412 VanDerWaalsContact O-CG 3.22Å; T408-N412 PolarHBondContact O-N 3.25Å; T408-N412 PolarHBondContact O-ND2 3.42Å; T408-N412 VanDerWaalsContact O-ND2 3.11Å; D409-N412 PolarHBondContact O-N 3.14Å; L410-N412 VanDerWaalsContact C-N 3.3Å; L410-N412 PolarHBondContact O-N 3.33Å; N412-E414 VanDerWaalsContact C-N 3.27Å; N412-E414 PolarHBondContact O-N 3Å; N412-K415 PolarHBondContact O-N 3.35Å; N412-E416 WeakPolarHBondContact O-CB 3.47Å; N412-E416 PolarHBondContact O-N 2.8Å |
| 413 | M | 87.4 | Confident | 86.6 | Confident | 118 Ų | 118 | 111.6 Ų | 111.6 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.1 | -37.1 | 173.1 | -73.2 | -69.5 | -63.6 | 0 | 0 | 111.8 | D409 L410 E416 N417 | D409-M413 WeakPolarHBondContact O-CB 3.38Å; D409-M413 VanDerWaalsContact O-CG 3.26Å; D409-M413 WeakPolarHBondContact O-CG 3.47Å; D409-M413 PolarHBondContact O-N 3.15Å; L410-M413 PolarHBondContact O-N 2.86Å; M413-E416 PolarHBondContact O-N 3.05Å; M413-N417 WeakPolarHBondContact O-CB 3.45Å; M413-N417 PolarHBondContact O-N 3.34Å |
| 414 | E | 84.1 | Confident | 86.1 | Confident | 125 Ų | 125 | 108.1 Ų | 108.1 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.3 | -37 | 179.6 | -169.6 | 161.1 | -137.1 | 0 | 0 | 112 | L410 E411 N412 N417 Q418 | L410-E414 VanDerWaalsContact O-CB 3.27Å; L410-E414 WeakPolarHBondContact O-CB 3.47Å; L410-E414 PolarHBondContact O-N 2.92Å; E411-E414 PolarHBondContact O-N 2.63Å; N412-E414 VanDerWaalsContact C-N 3.27Å; N412-E414 PolarHBondContact O-N 3Å; E414-N417 PolarHBondContact O-N 3.09Å; E414-Q418 WeakPolarHBondContact O-CB 3.36Å; E414-Q418 VanDerWaalsContact O-CG 3.28Å; E414-Q418 WeakPolarHBondContact O-CG 3.34Å; E414-Q418 PolarHBondContact O-N 3.46Å |
| 415 | K | 88.3 | Confident | 85.5 | Confident | 109 Ų | 109 | 108.6 Ų | 108.6 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 167.7 | -75.6 | 164.2 | -173.7 | 148 | 0 | 111.3 | E411 N412 N417 Q418 E419 | E411-K415 WeakPolarHBondContact O-CB 3.47Å; E411-K415 VanDerWaalsContact O-CG 3.31Å; E411-K415 WeakPolarHBondContact O-CG 3.27Å; E411-K415 PolarHBondContact O-N 2.78Å; E411-K415 IonicContact OE2-NZ 2.61Å; E411-K415 PolarHBondContact OE2-NZ 3.5Å; N412-K415 PolarHBondContact O-N 3.35Å; K415-N417 VanDerWaalsContact C-N 3.3Å; K415-N417 PolarHBondContact O-N 3.48Å; K415-Q418 CarbonylContact O-C 3.59Å; K415-Q418 WeakPolarHBondContact O-CB 3.49Å; K415-Q418 PolarHBondContact O-N 3.36Å; K415-E419 PolarHBondContact O-N 2.95Å |
| 416 | E | 88.5 | Confident | 84.6 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 177 | -168.1 | 173.4 | -140.8 | 0 | 0 | 111.3 | N412 M413 E419 L420 | N412-E416 WeakPolarHBondContact O-CB 3.47Å; N412-E416 PolarHBondContact O-N 2.8Å; M413-E416 PolarHBondContact O-N 3.05Å; E416-E419 PolarHBondContact O-N 2.99Å; E416-L420 HydrophobicContact CG-CD1 4.46Å; E416-L420 WeakPolarHBondContact O-CB 3.44Å; E416-L420 VanDerWaalsContact O-CG 3.25Å; E416-L420 WeakPolarHBondContact O-CG 3.46Å; E416-L420 PolarHBondContact O-N 2.96Å |
| 417 | N | 83.8 | Confident | 83.8 | Confident | 86 Ų | 86 | 109.8 Ų | 109.8 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.9 | -34 | 174.5 | -161 | -20.3 | 0 | 0 | 0 | 112.1 | M413 E414 K415 K421 | M413-N417 WeakPolarHBondContact O-CB 3.45Å; M413-N417 PolarHBondContact O-N 3.34Å; E414-N417 PolarHBondContact O-N 3.09Å; K415-N417 VanDerWaalsContact C-N 3.3Å; K415-N417 PolarHBondContact O-N 3.48Å; N417-K421 WeakPolarHBondContact O-CB 3.41Å; N417-K421 VanDerWaalsContact O-CG 3.26Å; N417-K421 WeakPolarHBondContact O-CG 3.32Å; N417-K421 PolarHBondContact O-N 2.87Å |
| 418 | Q | 88.6 | Confident | 83 | Confident | 105 Ų | 105 | 110 Ų | 110 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 169.7 | -74.6 | 178.4 | 31.4 | 0 | 0 | 111.9 | E414 K415 K421 Q422 | E414-Q418 WeakPolarHBondContact O-CB 3.36Å; E414-Q418 VanDerWaalsContact O-CG 3.28Å; E414-Q418 WeakPolarHBondContact O-CG 3.34Å; E414-Q418 PolarHBondContact O-N 3.46Å; K415-Q418 CarbonylContact O-C 3.59Å; K415-Q418 WeakPolarHBondContact O-CB 3.49Å; K415-Q418 PolarHBondContact O-N 3.36Å; Q418-K421 PolarHBondContact O-N 3.42Å; Q418-Q422 WeakPolarHBondContact O-CG 3.38Å; Q418-Q422 PolarHBondContact O-N 3.47Å |
| 419 | E | 86.5 | Confident | 82 | Confident | 126 Ų | 126 | 112 Ų | 112 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 172.8 | -75.1 | -165.5 | -175.1 | 0 | 0 | 111.3 | K415 E416 Q422 R423 | K415-E419 PolarHBondContact O-N 2.95Å; E416-E419 PolarHBondContact O-N 2.99Å; E419-Q422 PolarHBondContact O-N 2.95Å; E419-R423 VanDerWaalsContact O-CB 3.25Å; E419-R423 WeakPolarHBondContact O-CB 3.39Å; E419-R423 PolarHBondContact O-N 3.47Å |
| 420 | L | 79.7 | Confident | 80.7 | Confident | 90 Ų | 90 | 110.2 Ų | 110.2 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 173.8 | -75.6 | 169.9 | 0 | 0 | 0 | 111.3 | E416 Q422 R423 I424 | E416-L420 HydrophobicContact CG-CD1 4.46Å; E416-L420 WeakPolarHBondContact O-CB 3.44Å; E416-L420 VanDerWaalsContact O-CG 3.25Å; E416-L420 WeakPolarHBondContact O-CG 3.46Å; E416-L420 PolarHBondContact O-N 2.96Å; L420-Q422 PolarHBondContact O-N 3.39Å; L420-R423 CarbonylContact O-C 3.5Å; L420-R423 PolarHBondContact O-N 2.98Å; L420-R423 VanDerWaalsContact O-N 3.12Å; L420-I424 WeakPolarHBondContact O-CB 3.31Å; L420-I424 VanDerWaalsContact O-CG1 3.25Å; L420-I424 WeakPolarHBondContact O-CG1 3.46Å; L420-I424 PolarHBondContact O-N 3.43Å |
| 421 | K | 83.5 | Confident | 79.3 | Confident | 134 Ų | 134 | 108.1 Ų | 108.1 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.4 | -41.7 | 173.3 | -79 | 173.3 | -177.7 | 176.3 | 0 | 112.2 | N417 Q418 R423 K425 | N417-K421 WeakPolarHBondContact O-CB 3.41Å; N417-K421 VanDerWaalsContact O-CG 3.26Å; N417-K421 WeakPolarHBondContact O-CG 3.32Å; N417-K421 PolarHBondContact O-N 2.87Å; Q418-K421 PolarHBondContact O-N 3.42Å; K421-R423 VanDerWaalsContact C-N 3.33Å; K421-K425 VanDerWaalsContact O-CB 3.31Å; K421-K425 WeakPolarHBondContact O-CB 3.44Å; K421-K425 PolarHBondContact O-N 2.93Å |
| 422 | Q | 80.9 | Confident | 77.4 | Confident | 101 Ų | 101 | 109.9 Ų | 109.9 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 173.6 | -72 | -174.9 | 27.6 | 0 | 0 | 112.3 | Q418 E419 L420 K425 R426 | Q418-Q422 WeakPolarHBondContact O-CG 3.38Å; Q418-Q422 PolarHBondContact O-N 3.47Å; E419-Q422 PolarHBondContact O-N 2.95Å; L420-Q422 PolarHBondContact O-N 3.39Å; Q422-K425 PolarHBondContact O-N 3.07Å; Q422-R426 WeakPolarHBondContact O-CB 3.48Å; Q422-R426 VanDerWaalsContact O-CG 3.24Å; Q422-R426 WeakPolarHBondContact O-CG 3.44Å; Q422-R426 PolarHBondContact O-N 2.88Å |
| 423 | R | 81.2 | Confident | 74.9 | Confident | 158 Ų | 158 | 109.7 Ų | 109.7 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.7 | -40.5 | 179.6 | -155.5 | 168 | -166.2 | 146.7 | -2.5 | 111 | E419 L420 K421 R426 L427 | E419-R423 VanDerWaalsContact O-CB 3.25Å; E419-R423 WeakPolarHBondContact O-CB 3.39Å; E419-R423 PolarHBondContact O-N 3.47Å; L420-R423 CarbonylContact O-C 3.5Å; L420-R423 PolarHBondContact O-N 2.98Å; L420-R423 VanDerWaalsContact O-N 3.12Å; K421-R423 VanDerWaalsContact C-N 3.33Å; R423-R426 PolarHBondContact O-N 3Å; R423-L427 WeakPolarHBondContact O-CB 3.46Å; R423-L427 WeakPolarHBondContact O-CG 3.49Å; R423-L427 PolarHBondContact O-N 3.28Å |
| 424 | I | 76.8 | Confident | 72.3 | Confident | 88 Ų | 88 | 110 Ų | 110 | 45% | 0.451 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.5 | -51.4 | 167.7 | -70.3 | 164.8 | 0 | 0 | 0 | 109.2 | L420 R426 L427 E428 | L420-I424 WeakPolarHBondContact O-CB 3.31Å; L420-I424 VanDerWaalsContact O-CG1 3.25Å; L420-I424 WeakPolarHBondContact O-CG1 3.46Å; L420-I424 PolarHBondContact O-N 3.43Å; I424-R426 VanDerWaalsContact C-N 3.34Å; I424-R426 PolarHBondContact O-N 3.26Å; I424-L427 CarbonylContact O-C 3.58Å; I424-L427 WeakPolarHBondContact O-CA 3.37Å; I424-L427 WeakPolarHBondContact O-CB 3.45Å; I424-L427 PolarHBondContact O-N 3.13Å; I424-E428 HydrophobicContact CG2-CG 4.14Å; I424-E428 WeakPolarHBondContact O-CG 3.48Å; I424-E428 PolarHBondContact O-N 2.7Å |
| 425 | K | 78.3 | Confident | 70 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.1 | -43 | 178.5 | -164.9 | -173.9 | -174.6 | -114 | 0 | 112.7 | K421 Q422 L427 E428 E429 | K421-K425 VanDerWaalsContact O-CB 3.31Å; K421-K425 WeakPolarHBondContact O-CB 3.44Å; K421-K425 PolarHBondContact O-N 2.93Å; Q422-K425 PolarHBondContact O-N 3.07Å; K425-L427 VanDerWaalsContact C-N 3.3Å; K425-L427 PolarHBondContact O-N 3.33Å; K425-E428 PolarHBondContact O-N 3.36Å; K425-E429 WeakPolarHBondContact CE-OE1 3.49Å; K425-E429 IonicContact NZ-OE1 3.29Å; K425-E429 PolarHBondContact NZ-OE1 3.11Å; K425-E429 WeakPolarHBondContact O-CB 3.36Å; K425-E429 VanDerWaalsContact O-CG 3.26Å; K425-E429 WeakPolarHBondContact O-CG 3.19Å; K425-E429 PolarHBondContact O-N 3.28Å |
| 426 | R | 74.8 | Confident | 67.3 | Low | 140 Ų | 140 | 110.1 Ų | 110.1 | 53% | 0.528 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -33.4 | 173.5 | -71.5 | 174.9 | -138.9 | 145.4 | 3.2 | 112.4 | Q422 R423 I424 A430 | Q422-R426 WeakPolarHBondContact O-CB 3.48Å; Q422-R426 VanDerWaalsContact O-CG 3.24Å; Q422-R426 WeakPolarHBondContact O-CG 3.44Å; Q422-R426 PolarHBondContact O-N 2.88Å; R423-R426 PolarHBondContact O-N 3Å; I424-R426 VanDerWaalsContact C-N 3.34Å; I424-R426 PolarHBondContact O-N 3.26Å; R426-A430 VanDerWaalsContact O-CB 3.25Å; R426-A430 WeakPolarHBondContact O-CB 3.39Å; R426-A430 PolarHBondContact O-N 3.07Å |
| 427 | L | 71.1 | Confident | 64.4 | Low | 112 Ų | 112 | 114.2 Ų | 114.2 | 59% | 0.586 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.1 | -32.7 | 174.4 | -73.9 | 168.1 | 0 | 0 | 0 | 112.2 | R423 I424 K425 A430 A431 | R423-L427 WeakPolarHBondContact O-CB 3.46Å; R423-L427 WeakPolarHBondContact O-CG 3.49Å; R423-L427 PolarHBondContact O-N 3.28Å; I424-L427 CarbonylContact O-C 3.58Å; I424-L427 WeakPolarHBondContact O-CA 3.37Å; I424-L427 WeakPolarHBondContact O-CB 3.45Å; I424-L427 PolarHBondContact O-N 3.13Å; K425-L427 VanDerWaalsContact C-N 3.3Å; K425-L427 PolarHBondContact O-N 3.33Å; L427-A430 CarbonylContact O-C 3.59Å; L427-A430 PolarHBondContact O-N 3.48Å; L427-A431 WeakPolarHBondContact O-CA 3.46Å; L427-A431 WeakPolarHBondContact O-CB 3.46Å; L427-A431 PolarHBondContact O-N 3.33Å |
| 428 | E | 68.4 | Low | 62.1 | Low | 121 Ų | 121 | 116.3 Ų | 116.3 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.9 | -46.2 | 172.7 | -71.7 | 172.9 | 151.2 | 0 | 0 | 110.7 | I424 K425 A430 A431 I432 | I424-E428 HydrophobicContact CG2-CG 4.14Å; I424-E428 WeakPolarHBondContact O-CG 3.48Å; I424-E428 PolarHBondContact O-N 2.7Å; K425-E428 PolarHBondContact O-N 3.36Å; E428-A430 PolarHBondContact O-N 3.43Å; E428-A431 PolarHBondContact O-N 2.9Å; E428-A431 VanDerWaalsContact O-N 3.13Å; E428-I432 PolarHBondContact O-N 3.47Å |
| 429 | E | 67.1 | Low | 59.2 | Low | 111 Ų | 111 | 119.6 Ų | 119.6 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -58.1 | -35.3 | 171.2 | -73.2 | 169.4 | -178.7 | 0 | 0 | 111.5 | K425 | K425-E429 WeakPolarHBondContact CE-OE1 3.49Å; K425-E429 IonicContact NZ-OE1 3.29Å; K425-E429 PolarHBondContact NZ-OE1 3.11Å; K425-E429 WeakPolarHBondContact O-CB 3.36Å; K425-E429 VanDerWaalsContact O-CG 3.26Å; K425-E429 WeakPolarHBondContact O-CG 3.19Å; K425-E429 PolarHBondContact O-N 3.28Å |
| 430 | A | 63.8 | Low | 56.5 | Low | 59 Ų | 59 | 121.6 Ų | 121.6 | 49% | 0.488 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -78.3 | -33 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R426 L427 E428 I432 A433 | R426-A430 VanDerWaalsContact O-CB 3.25Å; R426-A430 WeakPolarHBondContact O-CB 3.39Å; R426-A430 PolarHBondContact O-N 3.07Å; L427-A430 CarbonylContact O-C 3.59Å; L427-A430 PolarHBondContact O-N 3.48Å; E428-A430 PolarHBondContact O-N 3.43Å; A430-I432 PolarHBondContact O-N 2.99Å; A430-A433 VanDerWaalsContact O-CB 3.32Å; A430-A433 WeakPolarHBondContact O-CB 3.47Å; A430-A433 PolarHBondContact O-N 3.5Å |
| 431 | A | 54.3 | Low | 54.6 | Low | 65 Ų | 65 | 122.8 Ų | 122.8 | 54% | 0.537 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -77.4 | -6.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L427 E428 A433 | L427-A431 WeakPolarHBondContact O-CA 3.46Å; L427-A431 WeakPolarHBondContact O-CB 3.46Å; L427-A431 PolarHBondContact O-N 3.33Å; E428-A431 PolarHBondContact O-N 2.9Å; E428-A431 VanDerWaalsContact O-N 3.13Å; A431-A433 CarbonylContact O-C 3.6Å; A431-A433 PolarHBondContact O-N 3.41Å |
| 432 | I | 48.8 | Very low | 52.4 | Low | 147 Ų | 147 | 125.6 Ų | 125.6 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -17.6 | 161.8 | -65.6 | 169.5 | 0 | 0 | 0 | 110.5 | E428 A430 T434 | E428-I432 PolarHBondContact O-N 3.47Å; A430-I432 PolarHBondContact O-N 2.99Å; I432-T434 PolarHBondContact O-N 3.48Å |
| 433 | A | 38.2 | Very low | 50.3 | Low | 80 Ų | 80 | 125.8 Ų | 125.8 | 66% | 0.661 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -81.8 | 104.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A430 A431 | A430-A433 VanDerWaalsContact O-CB 3.32Å; A430-A433 WeakPolarHBondContact O-CB 3.47Å; A430-A433 PolarHBondContact O-N 3.5Å; A431-A433 CarbonylContact O-C 3.6Å; A431-A433 PolarHBondContact O-N 3.41Å |
| 434 | T | 31 | Very low | 48.8 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | trans | -77.5 | 171.4 | 167.6 | 55.9 | 0 | 0 | 0 | 0 | 111 | I432 | I432-T434 PolarHBondContact O-N 3.48Š| ||
| 435 | P | 35.9 | Very low | 47.8 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | cis | -111.8 | -152.3 | -13.4 | 42.6 | -27.6 | 0 | 0 | 0 | 109.2 | ||||
| 436 | P | 33.3 | Very low | 47.2 | Very low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | cis | -130.5 | -134.7 | -4.2 | 43.2 | -23.3 | 0 | 0 | 0 | 114.2 | ||||
| 437 | K | 27.5 | Very low | 46.6 | Very low | 198 Ų | 198 | 119.1 Ų | 119.1 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | trans | -112.3 | 133.6 | -170 | -65.6 | 166.3 | 177.1 | 173 | 0 | 111.9 | ||||
| 438 | P | 35 | Very low | 46.6 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | trans | -75.9 | 135.8 | 170.3 | -11 | 27.2 | 0 | 0 | 0 | 112.1 | ||||
| 439 | M | 27.4 | Very low | 47 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 86% | 0.857 | 69% | 0.692 | S | S | * | * | trans | -70.1 | 150.3 | 167.1 | -79.8 | 166.1 | 50.7 | 0 | 0 | 111.2 | P441 | M439-P441 WeakPolarHBondContact O-CD 3.38Š| ||
| 440 | I | 30.6 | Very low | 47.7 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 86% | 0.862 | 69% | 0.693 | S | S | * | * | trans | -81.1 | 111.1 | 176.5 | -59.3 | 164.3 | 0 | 0 | 0 | 108.9 | ||||
| 441 | P | 38.5 | Very low | 48.4 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -82.6 | 150.1 | 175.3 | -8.6 | 29.6 | 0 | 0 | 0 | 110.8 | M439 | M439-P441 WeakPolarHBondContact O-CD 3.38Š| ||
| 442 | Q | 37.6 | Very low | 49.7 | Very low | 193 Ų | 193 | 126 Ų | 126 | 90% | 0.902 | 69% | 0.691 | S | S | * | * | trans | -74 | 148.1 | -178.5 | -65.6 | 171.7 | -67 | 0 | 0 | 111.4 | D444 | Q442-D444 PolarHBondContact O-N 3.27Š| ||
| 443 | S | 37.8 | Very low | 51.3 | Low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | trans | -63.5 | 115.9 | -170.4 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 444 | D | 49 | Very low | 53.6 | Low | 115 Ų | 115 | 127.1 Ų | 127.1 | 62% | 0.615 | 68% | 0.681 | S | S | * | * | trans | -80.8 | 157.2 | 166.8 | -125.7 | -16.8 | 0 | 0 | 0 | 110.2 | Q442 S446 D447 | Q442-D444 PolarHBondContact O-N 3.27Å; D444-S446 PolarHBondContact O-N 3.01Å; D444-D447 PolarHBondContact O-N 3Å | ||
| 445 | P | 55.5 | Low | 56.3 | Low | 90 Ų | 90 | 126.7 Ų | 126.7 | 58% | 0.584 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -56.5 | -24.2 | 179.7 | -26.9 | 35.9 | 0 | 0 | 0 | 114.5 | D447 R448 N449 | P445-D447 VanDerWaalsContact C-N 3.34Å; P445-D447 PolarHBondContact O-N 2.69Å; P445-R448 WeakPolarHBondContact O-CB 3.46Å; P445-R448 PolarHBondContact O-N 2.87Å; P445-N449 PolarHBondContact O-N 2.95Å; P445-N449 VanDerWaalsContact O-N 3.08Å |
| 446 | S | 65.7 | Low | 58.9 | Low | 79 Ų | 79 | 123 Ų | 123 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -52.1 | -48.2 | 170.4 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | D444 R448 N449 K450 | D444-S446 PolarHBondContact O-N 3.01Å; S446-R448 VanDerWaalsContact C-N 3.29Å; S446-R448 PolarHBondContact O-N 2.8Å; S446-N449 PolarHBondContact O-N 3.38Å; S446-K450 WeakPolarHBondContact O-CB 3.36Å; S446-K450 PolarHBondContact O-N 3.19Å |
| 447 | D | 63.2 | Low | 61.7 | Low | 78 Ų | 78 | 119.5 Ų | 119.5 | 42% | 0.417 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.6 | -33.6 | -179.2 | -67.9 | -29.5 | 0 | 0 | 0 | 111.4 | D444 P445 K450 I451 | D444-D447 PolarHBondContact O-N 3Å; P445-D447 VanDerWaalsContact C-N 3.34Å; P445-D447 PolarHBondContact O-N 2.69Å; D447-K450 PolarHBondContact O-N 3.02Å; D447-I451 WeakPolarHBondContact O-CB 3.44Å; D447-I451 WeakPolarHBondContact O-CD1 3.31Å; D447-I451 WeakPolarHBondContact O-CG1 3.29Å; D447-I451 PolarHBondContact O-N 3.24Å |
| 448 | R | 70.6 | Confident | 64.6 | Low | 194 Ų | 194 | 114.4 Ų | 114.4 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.3 | -43 | 177.5 | -149.9 | 175.5 | -162.8 | 148.9 | 3.5 | 111.4 | P445 S446 I451 I452 | P445-R448 WeakPolarHBondContact O-CB 3.46Å; P445-R448 PolarHBondContact O-N 2.87Å; S446-R448 VanDerWaalsContact C-N 3.29Å; S446-R448 PolarHBondContact O-N 2.8Å; R448-I451 PolarHBondContact O-N 3Å; R448-I452 WeakPolarHBondContact O-CD1 3.4Å; R448-I452 VanDerWaalsContact O-CG1 3.28Å; R448-I452 WeakPolarHBondContact O-CG1 3.41Å; R448-I452 PolarHBondContact O-N 3.17Å |
| 449 | N | 77.3 | Confident | 67.3 | Low | 105 Ų | 105 | 113 Ų | 113 | 56% | 0.561 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.9 | -42.8 | 172.7 | -71.1 | -15.5 | 0 | 0 | 0 | 111.3 | P445 S446 I451 I452 E453 | P445-N449 PolarHBondContact O-N 2.95Å; P445-N449 VanDerWaalsContact O-N 3.08Å; S446-N449 PolarHBondContact O-N 3.38Å; N449-I451 PolarHBondContact O-N 3.45Å; N449-I452 WeakPolarHBondContact O-CB 3.45Å; N449-I452 PolarHBondContact O-N 2.96Å; N449-I452 VanDerWaalsContact O-N 3.13Å; N449-E453 PolarHBondContact O-N 3.39Å |
| 450 | K | 81.7 | Confident | 70.3 | Confident | 125 Ų | 125 | 109.6 Ų | 109.6 | 54% | 0.543 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.4 | -35.7 | 178.8 | -160.8 | 162 | -171.3 | 169.5 | 0 | 112.8 | S446 D447 E453 L454 | S446-K450 WeakPolarHBondContact O-CB 3.36Å; S446-K450 PolarHBondContact O-N 3.19Å; D447-K450 PolarHBondContact O-N 3.02Å; K450-E453 PolarHBondContact O-N 2.88Å; K450-L454 HydrophobicContact CG-CD1 4.37Å; K450-L454 VanDerWaalsContact O-CB 3.3Å; K450-L454 WeakPolarHBondContact O-CB 3.42Å; K450-L454 WeakPolarHBondContact O-CD1 3.36Å; K450-L454 WeakPolarHBondContact O-CG 3.41Å; K450-L454 PolarHBondContact O-N 3.16Å |
| 451 | I | 78 | Confident | 73.2 | Confident | 90 Ų | 90 | 106.5 Ų | 106.5 | 46% | 0.462 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.6 | -40.8 | 171 | -72.4 | 163 | 0 | 0 | 0 | 110.5 | D447 R448 N449 L454 Q455 | D447-I451 WeakPolarHBondContact O-CB 3.44Å; D447-I451 WeakPolarHBondContact O-CD1 3.31Å; D447-I451 WeakPolarHBondContact O-CG1 3.29Å; D447-I451 PolarHBondContact O-N 3.24Å; R448-I451 PolarHBondContact O-N 3Å; N449-I451 PolarHBondContact O-N 3.45Å; I451-L454 PolarHBondContact O-N 3.18Å; I451-Q455 HydrophobicContact CG2-CG 4.38Å; I451-Q455 VanDerWaalsContact O-CB 3.32Å; I451-Q455 WeakPolarHBondContact O-CB 3.34Å; I451-Q455 VanDerWaalsContact O-CG 3.22Å; I451-Q455 WeakPolarHBondContact O-CG 3.29Å; I451-Q455 PolarHBondContact O-N 2.89Å |
| 452 | I | 81.9 | Confident | 75.7 | Confident | 100 Ų | 100 | 110.1 Ų | 110.1 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.8 | -43.8 | 176.1 | -68.9 | 163 | 0 | 0 | 0 | 111.1 | R448 N449 Q455 G456 | R448-I452 WeakPolarHBondContact O-CD1 3.4Å; R448-I452 VanDerWaalsContact O-CG1 3.28Å; R448-I452 WeakPolarHBondContact O-CG1 3.41Å; R448-I452 PolarHBondContact O-N 3.17Å; N449-I452 WeakPolarHBondContact O-CB 3.45Å; N449-I452 PolarHBondContact O-N 2.96Å; N449-I452 VanDerWaalsContact O-N 3.13Å; I452-Q455 PolarHBondContact O-N 3.38Å; I452-G456 PolarHBondContact O-N 3.11Å |
| 453 | E | 82 | Confident | 78.2 | Confident | 143 Ų | 143 | 107.1 Ų | 107.1 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.1 | -45.2 | 174.1 | -74.2 | -176.6 | 160.1 | 0 | 0 | 111.8 | N449 K450 G456 A457 | N449-E453 PolarHBondContact O-N 3.39Å; K450-E453 PolarHBondContact O-N 2.88Å; E453-G456 PolarHBondContact O-N 3.46Å; E453-A457 WeakPolarHBondContact O-CB 3.18Å; E453-A457 PolarHBondContact O-N 3.01Å |
| 454 | L | 86.4 | Confident | 80.8 | Confident | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.8 | -39.2 | 176.3 | -73.2 | 169.2 | 0 | 0 | 0 | 112.1 | K450 I451 G456 A457 V458 | K450-L454 HydrophobicContact CG-CD1 4.37Å; K450-L454 VanDerWaalsContact O-CB 3.3Å; K450-L454 WeakPolarHBondContact O-CB 3.42Å; K450-L454 WeakPolarHBondContact O-CD1 3.36Å; K450-L454 WeakPolarHBondContact O-CG 3.41Å; K450-L454 PolarHBondContact O-N 3.16Å; I451-L454 PolarHBondContact O-N 3.18Å; L454-G456 VanDerWaalsContact C-N 3.35Å; L454-A457 PolarHBondContact O-N 3.32Å; L454-V458 WeakPolarHBondContact O-CB 3.46Å; L454-V458 VanDerWaalsContact O-CG2 3.24Å; L454-V458 WeakPolarHBondContact O-CG2 3.31Å; L454-V458 PolarHBondContact O-N 2.72Å |
| 455 | Q | 88.5 | Confident | 82.9 | Confident | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 172.5 | -77.5 | 174.2 | -9 | 0 | 0 | 111.6 | I451 I452 N459 | I451-Q455 HydrophobicContact CG2-CG 4.38Å; I451-Q455 VanDerWaalsContact O-CB 3.32Å; I451-Q455 WeakPolarHBondContact O-CB 3.34Å; I451-Q455 VanDerWaalsContact O-CG 3.22Å; I451-Q455 WeakPolarHBondContact O-CG 3.29Å; I451-Q455 PolarHBondContact O-N 2.89Å; I452-Q455 PolarHBondContact O-N 3.38Å; Q455-N459 WeakPolarHBondContact O-CB 3.32Å; Q455-N459 VanDerWaalsContact O-CG 3.27Å; Q455-N459 PolarHBondContact O-N 3.34Å; Q455-N459 PolarHBondContact O-ND2 3.42Å |
| 456 | G | 90.2 | Very high | 84.6 | Confident | 40 Ų | 40 | 106.2 Ų | 106.2 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I452 E453 L454 N459 Q460 | I452-G456 PolarHBondContact O-N 3.11Å; E453-G456 PolarHBondContact O-N 3.46Å; L454-G456 VanDerWaalsContact C-N 3.35Å; G456-N459 PolarHBondContact O-N 3.38Å; G456-Q460 PolarHBondContact O-N 3Å |
| 457 | A | 90.4 | Very high | 85.8 | Confident | 48 Ų | 48 | 104.8 Ų | 104.8 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E453 L454 Q460 L461 | E453-A457 WeakPolarHBondContact O-CB 3.18Å; E453-A457 PolarHBondContact O-N 3.01Å; L454-A457 PolarHBondContact O-N 3.32Å; A457-Q460 PolarHBondContact O-N 3.46Å; A457-L461 WeakPolarHBondContact O-CB 3.5Å; A457-L461 VanDerWaalsContact O-CG 3.27Å; A457-L461 WeakPolarHBondContact O-CG 3.37Å; A457-L461 PolarHBondContact O-N 2.92Å |
| 458 | V | 89.8 | Confident | 87.2 | Confident | 91 Ų | 91 | 106.5 Ų | 106.5 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 175.7 | 167.5 | 0 | 0 | 0 | 0 | 111.5 | L454 R462 | L454-V458 WeakPolarHBondContact O-CB 3.46Å; L454-V458 VanDerWaalsContact O-CG2 3.24Å; L454-V458 WeakPolarHBondContact O-CG2 3.31Å; L454-V458 PolarHBondContact O-N 2.72Å; V458-R462 VanDerWaalsContact O-CB 3.3Å; V458-R462 WeakPolarHBondContact O-CB 3.47Å; V458-R462 PolarHBondContact O-N 3.03Å |
| 459 | N | 90.8 | Very high | 88 | Confident | 99 Ų | 99 | 105.4 Ų | 105.4 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.5 | -76.6 | -27.3 | 0 | 0 | 0 | 112 | Q455 G456 R462 M463 | Q455-N459 WeakPolarHBondContact O-CB 3.32Å; Q455-N459 VanDerWaalsContact O-CG 3.27Å; Q455-N459 PolarHBondContact O-N 3.34Å; Q455-N459 PolarHBondContact O-ND2 3.42Å; G456-N459 PolarHBondContact O-N 3.38Å; N459-R462 PolarHBondContact O-N 3.32Å; N459-M463 WeakPolarHBondContact O-CG 3.37Å; N459-M463 PolarHBondContact O-N 2.91Å |
| 460 | Q | 91.2 | Very high | 88.6 | Confident | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 174.8 | -173.3 | 61.4 | 54 | 0 | 0 | 111.2 | G456 A457 R462 M463 D464 | G456-Q460 PolarHBondContact O-N 3Å; A457-Q460 PolarHBondContact O-N 3.46Å; Q460-R462 PolarHBondContact O-N 2.73Å; Q460-M463 PolarHBondContact O-N 3.32Å; Q460-M463 VanDerWaalsContact O-N 3.08Å; Q460-D464 PolarHBondContact NE2-OD1 3.02Å; Q460-D464 WeakPolarHBondContact O-CB 3.5Å; Q460-D464 VanDerWaalsContact O-CG 3.23Å; Q460-D464 PolarHBondContact O-N 3.47Å |
| 461 | L | 91.2 | Very high | 88.9 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59 | -31.3 | 175.7 | -73.8 | 170.4 | 0 | 0 | 0 | 112.7 | A457 N465 | A457-L461 WeakPolarHBondContact O-CB 3.5Å; A457-L461 VanDerWaalsContact O-CG 3.27Å; A457-L461 WeakPolarHBondContact O-CG 3.37Å; A457-L461 PolarHBondContact O-N 2.92Å; L461-N465 WeakPolarHBondContact O-CB 3.39Å; L461-N465 PolarHBondContact O-N 3.14Å; L461-N465 PolarHBondContact O-ND2 3.3Å |
| 462 | R | 91.8 | Very high | 89.5 | Confident | 191 Ų | 191 | 102.7 Ų | 102.7 | 72% | 0.721 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.3 | -41.4 | 174.9 | -173.2 | 175.2 | 176.1 | 165.2 | -0.6 | 112 | V458 N459 Q460 E466 | V458-R462 VanDerWaalsContact O-CB 3.3Å; V458-R462 WeakPolarHBondContact O-CB 3.47Å; V458-R462 PolarHBondContact O-N 3.03Å; N459-R462 PolarHBondContact O-N 3.32Å; Q460-R462 PolarHBondContact O-N 2.73Å; R462-E466 PolarHBondContact O-N 2.75Å; R462-E466 VanDerWaalsContact O-N 3.14Å |
| 463 | M | 89.9 | Confident | 89.8 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 172.5 | -70.1 | -171.8 | 70.3 | 0 | 0 | 111.7 | N459 Q460 N465 E466 A467 | N459-M463 WeakPolarHBondContact O-CG 3.37Å; N459-M463 PolarHBondContact O-N 2.91Å; Q460-M463 PolarHBondContact O-N 3.32Å; Q460-M463 VanDerWaalsContact O-N 3.08Å; M463-N465 PolarHBondContact O-N 3.3Å; M463-E466 PolarHBondContact O-N 3.02Å; M463-A467 PolarHBondContact O-N 3.22Å |
| 464 | D | 91.8 | Very high | 90.1 | Very high | 73 Ų | 73 | 101.7 Ų | 101.7 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 178.6 | -65.3 | -15 | 0 | 0 | 0 | 111.5 | Q460 A467 K468 | Q460-D464 PolarHBondContact NE2-OD1 3.02Å; Q460-D464 WeakPolarHBondContact O-CB 3.5Å; Q460-D464 VanDerWaalsContact O-CG 3.23Å; Q460-D464 PolarHBondContact O-N 3.47Å; D464-A467 PolarHBondContact O-N 3.15Å; D464-K468 WeakPolarHBondContact O-CB 3.46Å; D464-K468 WeakPolarHBondContact O-CG 3.32Å; D464-K468 PolarHBondContact O-N 3.28Å |
| 465 | N | 92.3 | Very high | 90.2 | Very high | 102 Ų | 102 | 101.9 Ų | 101.9 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 172.9 | -92.9 | -83.9 | 0 | 0 | 0 | 112.6 | L461 M463 K468 R469 | L461-N465 WeakPolarHBondContact O-CB 3.39Å; L461-N465 PolarHBondContact O-N 3.14Å; L461-N465 PolarHBondContact O-ND2 3.3Å; M463-N465 PolarHBondContact O-N 3.3Å; N465-K468 PolarHBondContact O-N 2.93Å; N465-R469 WeakPolarHBondContact O-CB 3.46Å; N465-R469 WeakPolarHBondContact O-CG 3.48Å; N465-R469 PolarHBondContact O-N 2.81Å |
| 466 | E | 92.1 | Very high | 90.1 | Very high | 116 Ų | 116 | 104.7 Ų | 104.7 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 179 | -159.2 | 60.4 | -152.5 | 0 | 0 | 111.4 | R462 M463 K468 R469 S470 | R462-E466 PolarHBondContact O-N 2.75Å; R462-E466 VanDerWaalsContact O-N 3.14Å; M463-E466 PolarHBondContact O-N 3.02Å; E466-K468 PolarHBondContact O-N 3.5Å; E466-R469 WeakPolarHBondContact O-CB 3.38Å; E466-R469 PolarHBondContact O-N 3.31Å; E466-R469 IonicContact OE2-NH1 2.69Å; E466-S470 PolarHBondContact O-N 3.01Å |
| 467 | A | 90.1 | Very high | 90.1 | Very high | 49 Ų | 49 | 106 Ų | 106 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M463 D464 R469 S470 E471 | M463-A467 PolarHBondContact O-N 3.22Å; D464-A467 PolarHBondContact O-N 3.15Å; A467-R469 VanDerWaalsContact C-N 3.3Å; A467-R469 PolarHBondContact O-N 3.49Å; A467-S470 WeakPolarHBondContact O-CB 3.49Å; A467-S470 PolarHBondContact O-N 3.18Å; A467-E471 PolarHBondContact O-N 2.96Å |
| 468 | K | 92.5 | Very high | 90 | Very high | 114 Ų | 114 | 112.2 Ų | 112.2 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -30.6 | 176.8 | -70 | -72.9 | 161.6 | -127.9 | 0 | 113.2 | D464 N465 E466 E471 L472 | D464-K468 WeakPolarHBondContact O-CB 3.46Å; D464-K468 WeakPolarHBondContact O-CG 3.32Å; D464-K468 PolarHBondContact O-N 3.28Å; N465-K468 PolarHBondContact O-N 2.93Å; E466-K468 PolarHBondContact O-N 3.5Å; K468-E471 IonicContact NZ-OE1 3.98Å; K468-E471 PolarHBondContact NZ-OE1 3.06Å; K468-E471 IonicContact NZ-OE2 3.81Å; K468-E471 PolarHBondContact NZ-OE2 3.02Å; K468-L472 WeakPolarHBondContact O-CB 3.46Å; K468-L472 PolarHBondContact O-N 3.1Å |
| 469 | R | 89 | Confident | 90 | Very high | 170 Ų | 170 | 114.7 Ų | 114.7 | 64% | 0.642 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 170.9 | -81.5 | 175.8 | 147.4 | -169.9 | -7.5 | 112.4 | N465 E466 A467 L472 F473 | N465-R469 WeakPolarHBondContact O-CB 3.46Å; N465-R469 WeakPolarHBondContact O-CG 3.48Å; N465-R469 PolarHBondContact O-N 2.81Å; E466-R469 WeakPolarHBondContact O-CB 3.38Å; E466-R469 PolarHBondContact O-N 3.31Å; E466-R469 IonicContact OE2-NH1 2.69Å; A467-R469 VanDerWaalsContact C-N 3.3Å; A467-R469 PolarHBondContact O-N 3.49Å; R469-L472 PolarHBondContact O-N 3.15Å; R469-F473 PolarHBondContact O-N 3.41Å |
| 470 | S | 88.2 | Confident | 89.9 | Confident | 72 Ų | 72 | 114.8 Ų | 114.8 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.9 | -160.9 | 0 | 0 | 0 | 0 | 111.5 | E466 A467 L472 F473 D474 | E466-S470 PolarHBondContact O-N 3.01Å; A467-S470 WeakPolarHBondContact O-CB 3.49Å; A467-S470 PolarHBondContact O-N 3.18Å; S470-L472 VanDerWaalsContact C-N 3.32Å; S470-L472 PolarHBondContact O-N 3.11Å; S470-F473 PolarHBondContact O-N 3.41Å; S470-F473 VanDerWaalsContact O-N 3.16Å; S470-D474 PolarHBondContact O-N 3.45Å |
| 471 | E | 89.6 | Confident | 89.7 | Confident | 92 Ų | 92 | 112.9 Ų | 112.9 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 174.5 | -70.5 | 173.9 | -156.8 | 0 | 0 | 112.1 | A467 K468 D474 L475 | A467-E471 PolarHBondContact O-N 2.96Å; K468-E471 IonicContact NZ-OE1 3.98Å; K468-E471 PolarHBondContact NZ-OE1 3.06Å; K468-E471 IonicContact NZ-OE2 3.81Å; K468-E471 PolarHBondContact NZ-OE2 3.02Å; E471-D474 PolarHBondContact O-N 3.13Å; E471-L475 WeakPolarHBondContact O-CB 3.43Å; E471-L475 VanDerWaalsContact O-CG 3.29Å; E471-L475 WeakPolarHBondContact O-CG 3.39Å; E471-L475 PolarHBondContact O-N 2.91Å |
| 472 | L | 89.1 | Confident | 89.4 | Confident | 99 Ų | 99 | 114 Ų | 114 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.1 | -34.2 | 176.4 | -91.9 | 165.2 | 0 | 0 | 0 | 113.3 | K468 R469 S470 R476 | K468-L472 WeakPolarHBondContact O-CB 3.46Å; K468-L472 PolarHBondContact O-N 3.1Å; R469-L472 PolarHBondContact O-N 3.15Å; S470-L472 VanDerWaalsContact C-N 3.32Å; S470-L472 PolarHBondContact O-N 3.11Å; L472-R476 VanDerWaalsContact O-CG 3.32Å; L472-R476 WeakPolarHBondContact O-CG 3.27Å; L472-R476 PolarHBondContact O-N 3.42Å; L472-R476 VanDerWaalsContact O-N 3.12Å |
| 473 | F | 88.2 | Confident | 89.2 | Confident | 143 Ų | 143 | 107.5 Ų | 107.5 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.8 | -47.2 | 175.9 | -176.9 | -94.5 | 0 | 0 | 0 | 111.2 | R469 S470 L475 R476 S477 | R469-F473 PolarHBondContact O-N 3.41Å; S470-F473 PolarHBondContact O-N 3.41Å; S470-F473 VanDerWaalsContact O-N 3.16Å; F473-L475 VanDerWaalsContact C-N 3.34Å; F473-L475 PolarHBondContact O-N 3.27Å; F473-R476 PolarHBondContact O-N 2.84Å; F473-S477 PolarHBondContact O-N 3.02Å |
| 474 | D | 90 | Very high | 89.1 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 43% | 0.428 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 176.4 | -75.9 | -7.9 | 0 | 0 | 0 | 112.2 | S470 E471 R476 S477 R478 | S470-D474 PolarHBondContact O-N 3.45Å; E471-D474 PolarHBondContact O-N 3.13Å; D474-R476 VanDerWaalsContact C-N 3.35Å; D474-R476 PolarHBondContact O-N 3.17Å; D474-S477 PolarHBondContact O-N 3.2Å; D474-R478 WeakPolarHBondContact O-CB 3.41Å; D474-R478 VanDerWaalsContact O-CG 3.29Å; D474-R478 WeakPolarHBondContact O-CG 3.44Å; D474-R478 PolarHBondContact O-N 2.9Å |
| 475 | L | 86.9 | Confident | 88.7 | Confident | 109 Ų | 109 | 105.1 Ų | 105.1 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 176.1 | -75 | 172.5 | 0 | 0 | 0 | 112.5 | E471 F473 F479 | E471-L475 WeakPolarHBondContact O-CB 3.43Å; E471-L475 VanDerWaalsContact O-CG 3.29Å; E471-L475 WeakPolarHBondContact O-CG 3.39Å; E471-L475 PolarHBondContact O-N 2.91Å; F473-L475 VanDerWaalsContact C-N 3.34Å; F473-L475 PolarHBondContact O-N 3.27Å; L475-F479 WeakPolarHBondContact O-CB 3.29Å; L475-F479 PolarHBondContact O-N 3.28Å |
| 476 | R | 87.6 | Confident | 87.9 | Confident | 173 Ų | 173 | 104.3 Ų | 104.3 | 65% | 0.653 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -48.8 | 174 | -75 | 173.6 | 179.1 | -148 | -1.7 | 111.6 | L472 F473 D474 R478 F479 D480 | L472-R476 VanDerWaalsContact O-CG 3.32Å; L472-R476 WeakPolarHBondContact O-CG 3.27Å; L472-R476 PolarHBondContact O-N 3.42Å; L472-R476 VanDerWaalsContact O-N 3.12Å; F473-R476 PolarHBondContact O-N 2.84Å; D474-R476 VanDerWaalsContact C-N 3.35Å; D474-R476 PolarHBondContact O-N 3.17Å; R476-R478 VanDerWaalsContact C-N 3.3Å; R476-R478 PolarHBondContact O-N 3.37Å; R476-F479 WeakPolarHBondContact O-CA 3.49Å; R476-F479 WeakPolarHBondContact O-CB 3.42Å; R476-F479 PolarHBondContact O-N 3.49Å; R476-D480 VanDerWaalsContact O-CG 3.29Å; R476-D480 PolarHBondContact O-N 2.89Å |
| 477 | S | 90 | Very high | 87.7 | Confident | 69 Ų | 69 | 103.7 Ų | 103.7 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.2 | -43.1 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | F473 D474 D480 A481 | F473-S477 PolarHBondContact O-N 3.02Å; D474-S477 PolarHBondContact O-N 3.2Å; S477-D480 PolarHBondContact O-N 2.97Å; S477-A481 WeakPolarHBondContact O-CB 3.16Å; S477-A481 PolarHBondContact O-N 3.24Å |
| 478 | R | 88.4 | Confident | 87.5 | Confident | 177 Ų | 177 | 107.9 Ų | 107.9 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.8 | -36 | 174.4 | -70.7 | 174.4 | -175.5 | -161.3 | 1.5 | 113.2 | D474 R476 K482 | D474-R478 WeakPolarHBondContact O-CB 3.41Å; D474-R478 VanDerWaalsContact O-CG 3.29Å; D474-R478 WeakPolarHBondContact O-CG 3.44Å; D474-R478 PolarHBondContact O-N 2.9Å; R476-R478 VanDerWaalsContact C-N 3.3Å; R476-R478 PolarHBondContact O-N 3.37Å; R478-K482 WeakPolarHBondContact O-CB 3.45Å; R478-K482 WeakPolarHBondContact O-CG 3.37Å; R478-K482 PolarHBondContact O-N 3.3Å |
| 479 | F | 88.8 | Confident | 86.6 | Confident | 144 Ų | 144 | 107.1 Ų | 107.1 | 63% | 0.632 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.5 | -46.6 | 175.3 | 179.7 | -92.9 | 0 | 0 | 0 | 111.3 | L475 R476 A481 K482 S483 | L475-F479 WeakPolarHBondContact O-CB 3.29Å; L475-F479 PolarHBondContact O-N 3.28Å; R476-F479 WeakPolarHBondContact O-CA 3.49Å; R476-F479 WeakPolarHBondContact O-CB 3.42Å; R476-F479 PolarHBondContact O-N 3.49Å; F479-A481 PolarHBondContact O-N 3.16Å; F479-K482 CarbonylContact O-C 3.57Å; F479-K482 PolarHBondContact O-N 2.89Å; F479-K482 VanDerWaalsContact O-N 3.11Å; F479-S483 PolarHBondContact O-N 3.16Å |
| 480 | D | 89.8 | Confident | 86.2 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 178.8 | -63.3 | -25.7 | 0 | 0 | 0 | 111.1 | R476 S477 K482 S483 A484 | R476-D480 VanDerWaalsContact O-CG 3.29Å; R476-D480 PolarHBondContact O-N 2.89Å; S477-D480 PolarHBondContact O-N 2.97Å; D480-K482 VanDerWaalsContact C-N 3.31Å; D480-K482 PolarHBondContact O-N 3.46Å; D480-S483 WeakPolarHBondContact O-CB 3.37Å; D480-S483 PolarHBondContact O-N 2.95Å; D480-A484 PolarHBondContact O-N 3.34Å |
| 481 | A | 87 | Confident | 86 | Confident | 63 Ų | 63 | 100.7 Ų | 100.7 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S477 F479 Q485 | S477-A481 WeakPolarHBondContact O-CB 3.16Å; S477-A481 PolarHBondContact O-N 3.24Å; F479-A481 PolarHBondContact O-N 3.16Å; A481-Q485 PolarHBondContact O-N 3.5Å; A481-Q485 VanDerWaalsContact O-N 3.14Å |
| 482 | K | 85.4 | Confident | 85.5 | Confident | 128 Ų | 128 | 101.1 Ų | 101.1 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72 | -35.7 | 175 | -77.9 | -73.2 | 166.8 | -165.8 | 0 | 112.7 | R478 F479 D480 Q485 V486 | R478-K482 WeakPolarHBondContact O-CB 3.45Å; R478-K482 WeakPolarHBondContact O-CG 3.37Å; R478-K482 PolarHBondContact O-N 3.3Å; F479-K482 CarbonylContact O-C 3.57Å; F479-K482 PolarHBondContact O-N 2.89Å; F479-K482 VanDerWaalsContact O-N 3.11Å; D480-K482 VanDerWaalsContact C-N 3.31Å; D480-K482 PolarHBondContact O-N 3.46Å; K482-Q485 PolarHBondContact O-N 2.94Å; K482-V486 WeakPolarHBondContact O-CG2 3.47Å; K482-V486 PolarHBondContact O-N 3.24Å |
| 483 | S | 87.1 | Confident | 84.7 | Confident | 53 Ų | 53 | 103.2 Ų | 103.2 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 173.3 | -163.6 | 0 | 0 | 0 | 0 | 110.5 | F479 D480 Q485 V486 D487 | F479-S483 PolarHBondContact O-N 3.16Å; D480-S483 WeakPolarHBondContact O-CB 3.37Å; D480-S483 PolarHBondContact O-N 2.95Å; S483-Q485 VanDerWaalsContact C-N 3.26Å; S483-Q485 PolarHBondContact O-N 3.01Å; S483-V486 WeakPolarHBondContact O-CA 3.47Å; S483-V486 WeakPolarHBondContact O-CB 3.2Å; S483-V486 PolarHBondContact O-N 2.92Å; S483-D487 PolarHBondContact O-N 3.48Å |
| 484 | A | 86.9 | Confident | 84.5 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | D480 K488 | D480-A484 PolarHBondContact O-N 3.34Å; A484-K488 PolarHBondContact O-N 3.16Å |
| 485 | Q | 84.5 | Confident | 84.1 | Confident | 94 Ų | 94 | 102 Ų | 102 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 173.1 | -170.3 | 176.2 | 20.9 | 0 | 0 | 112.1 | A481 K482 S483 K488 M489 | A481-Q485 PolarHBondContact O-N 3.5Å; A481-Q485 VanDerWaalsContact O-N 3.14Å; K482-Q485 PolarHBondContact O-N 2.94Å; S483-Q485 VanDerWaalsContact C-N 3.26Å; S483-Q485 PolarHBondContact O-N 3.01Å; Q485-K488 PolarHBondContact O-N 3.44Å; Q485-M489 HydrophobicContact CG-CE 4.39Å; Q485-M489 WeakPolarHBondContact O-CG 3.35Å; Q485-M489 PolarHBondContact O-N 3.35Å |
| 486 | V | 75.2 | Confident | 83.6 | Confident | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | K482 S483 K488 M489 S490 | K482-V486 WeakPolarHBondContact O-CG2 3.47Å; K482-V486 PolarHBondContact O-N 3.24Å; S483-V486 WeakPolarHBondContact O-CA 3.47Å; S483-V486 WeakPolarHBondContact O-CB 3.2Å; S483-V486 PolarHBondContact O-N 2.92Å; V486-K488 VanDerWaalsContact C-N 3.35Å; V486-K488 PolarHBondContact O-N 3.37Å; V486-M489 HydrophobicContact CG2-CE 4.04Å; V486-M489 PolarHBondContact O-N 2.93Å; V486-S490 WeakPolarHBondContact O-CB 3.47Å; V486-S490 PolarHBondContact O-N 3.47Å |
| 487 | D | 87.3 | Confident | 82.9 | Confident | 103 Ų | 103 | 100.1 Ų | 100.1 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 176.5 | -68.3 | -41.5 | 0 | 0 | 0 | 112 | S483 S490 A491 | S483-D487 PolarHBondContact O-N 3.48Å; D487-S490 WeakPolarHBondContact O-CB 3.41Å; D487-S490 PolarHBondContact O-N 3.24Å; D487-A491 PolarHBondContact O-N 3.09Å |
| 488 | K | 85.7 | Confident | 82.3 | Confident | 137 Ų | 137 | 104.7 Ų | 104.7 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.7 | -48.6 | 173.4 | -178.1 | 176.8 | 171.2 | 180 | 0 | 111.8 | A484 Q485 V486 S490 A491 E492 | A484-K488 PolarHBondContact O-N 3.16Å; Q485-K488 PolarHBondContact O-N 3.44Å; V486-K488 VanDerWaalsContact C-N 3.35Å; V486-K488 PolarHBondContact O-N 3.37Å; K488-S490 VanDerWaalsContact C-N 3.28Å; K488-S490 PolarHBondContact O-N 3.04Å; K488-A491 PolarHBondContact O-N 3.03Å; K488-E492 WeakPolarHBondContact CE-OE1 3.46Å; K488-E492 IonicContact NZ-OE1 2.75Å; K488-E492 WeakPolarHBondContact O-CG 3.5Å; K488-E492 PolarHBondContact O-N 3.4Å |
| 489 | M | 75.1 | Confident | 82 | Confident | 98 Ų | 98 | 100 Ų | 100 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -35.7 | 177.1 | -69.3 | -175.2 | -60 | 0 | 0 | 112.2 | Q485 V486 E492 F493 | Q485-M489 HydrophobicContact CG-CE 4.39Å; Q485-M489 WeakPolarHBondContact O-CG 3.35Å; Q485-M489 PolarHBondContact O-N 3.35Å; V486-M489 HydrophobicContact CG2-CE 4.04Å; V486-M489 PolarHBondContact O-N 2.93Å; M489-E492 PolarHBondContact O-N 3.12Å; M489-F493 WeakPolarHBondContact O-CB 3.46Å; M489-F493 PolarHBondContact O-N 3.31Å |
| 490 | S | 78.9 | Confident | 81 | Confident | 53 Ų | 53 | 96.7 Ų | 96.7 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 175.2 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | V486 D487 K488 K494 | V486-S490 WeakPolarHBondContact O-CB 3.47Å; V486-S490 PolarHBondContact O-N 3.47Å; D487-S490 WeakPolarHBondContact O-CB 3.41Å; D487-S490 PolarHBondContact O-N 3.24Å; K488-S490 VanDerWaalsContact C-N 3.28Å; K488-S490 PolarHBondContact O-N 3.04Å; S490-K494 WeakPolarHBondContact O-CG 3.43Å; S490-K494 PolarHBondContact O-N 3.46Å; S490-K494 VanDerWaalsContact O-N 3.16Å |
| 491 | A | 83.9 | Confident | 80.1 | Confident | 54 Ų | 54 | 95.3 Ų | 95.3 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D487 K488 K494 T495 | D487-A491 PolarHBondContact O-N 3.09Å; K488-A491 PolarHBondContact O-N 3.03Å; A491-K494 PolarHBondContact O-N 2.81Å; A491-T495 PolarHBondContact O-N 3.4Å; A491-T495 VanDerWaalsContact O-N 3.14Å; A491-T495 PolarHBondContact O-OG1 2.73Å |
| 492 | E | 80.5 | Confident | 79.6 | Confident | 101 Ų | 101 | 97.4 Ų | 97.4 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.2 | -72.4 | 173.8 | -171.1 | 0 | 0 | 111.6 | K488 M489 T495 K496 | K488-E492 WeakPolarHBondContact CE-OE1 3.46Å; K488-E492 IonicContact NZ-OE1 2.75Å; K488-E492 WeakPolarHBondContact O-CG 3.5Å; K488-E492 PolarHBondContact O-N 3.4Å; M489-E492 PolarHBondContact O-N 3.12Å; E492-T495 WeakPolarHBondContact O-CB 2.93Å; E492-T495 PolarHBondContact O-N 2.86Å; E492-T495 VanDerWaalsContact O-N 3.12Å; E492-K496 PolarHBondContact O-N 2.97Å |
| 493 | F | 71.9 | Confident | 79.1 | Confident | 142 Ų | 142 | 95.5 Ų | 95.5 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.4 | -49.6 | 177.4 | -170.7 | -91 | 0 | 0 | 0 | 112.1 | M489 T495 K496 E497 | M489-F493 WeakPolarHBondContact O-CB 3.46Å; M489-F493 PolarHBondContact O-N 3.31Å; F493-T495 PolarHBondContact O-N 2.9Å; F493-K496 PolarHBondContact O-N 2.88Å; F493-K496 VanDerWaalsContact O-N 3.09Å; F493-E497 WeakPolarHBondContact O-CB 3.28Å; F493-E497 PolarHBondContact O-N 3.18Å |
| 494 | K | 82.7 | Confident | 78.3 | Confident | 113 Ų | 113 | 97.5 Ų | 97.5 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.2 | -32.1 | 174.8 | -72.9 | 172.1 | -178.3 | 173.4 | 0 | 113 | S490 A491 R498 | S490-K494 WeakPolarHBondContact O-CG 3.43Å; S490-K494 PolarHBondContact O-N 3.46Å; S490-K494 VanDerWaalsContact O-N 3.16Å; A491-K494 PolarHBondContact O-N 2.81Å; K494-R498 WeakPolarHBondContact O-CG 3.49Å; K494-R498 PolarHBondContact O-N 3.1Å |
| 495 | T | 81.9 | Confident | 78 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.2 | -40.3 | 177.8 | -49.3 | 0 | 0 | 0 | 0 | 110.8 | A491 E492 F493 L499 | A491-T495 PolarHBondContact O-N 3.4Å; A491-T495 VanDerWaalsContact O-N 3.14Å; A491-T495 PolarHBondContact O-OG1 2.73Å; E492-T495 WeakPolarHBondContact O-CB 2.93Å; E492-T495 PolarHBondContact O-N 2.86Å; E492-T495 VanDerWaalsContact O-N 3.12Å; F493-T495 PolarHBondContact O-N 2.9Å; T495-L499 PolarHBondContact O-N 3.08Å |
| 496 | K | 76.3 | Confident | 77.6 | Confident | 129 Ų | 129 | 99.6 Ų | 99.6 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.2 | -35.9 | 174.1 | -66.5 | -64 | -176.5 | -177 | 0 | 112.9 | E492 F493 L499 C500 | E492-K496 PolarHBondContact O-N 2.97Å; F493-K496 PolarHBondContact O-N 2.88Å; F493-K496 VanDerWaalsContact O-N 3.09Å; K496-L499 PolarHBondContact O-N 2.94Å; K496-C500 PolarHBondContact O-N 2.91Å; K496-C500 PolarHBondContact O-SG 2.87Å |
| 497 | E | 73.5 | Confident | 76.9 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 176.8 | -174.1 | 175.7 | -148.7 | 0 | 0 | 112.5 | F493 C500 S501 | F493-E497 WeakPolarHBondContact O-CB 3.28Å; F493-E497 PolarHBondContact O-N 3.18Å; E497-C500 PolarHBondContact O-N 3.34Å; E497-S501 PolarHBondContact O-N 3.44Å; E497-S501 VanDerWaalsContact O-N 3.11Å; E497-S501 PolarHBondContact O-OG 3.13Å |
| 498 | R | 77.3 | Confident | 76.1 | Confident | 166 Ų | 166 | 99 Ų | 99 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -49.1 | 172 | -69.8 | 175.2 | -172.4 | 156 | 1.3 | 111.9 | K494 C500 S501 E502 | K494-R498 WeakPolarHBondContact O-CG 3.49Å; K494-R498 PolarHBondContact O-N 3.1Å; R498-C500 VanDerWaalsContact C-N 3.28Å; R498-C500 PolarHBondContact O-N 3.09Å; R498-S501 WeakPolarHBondContact O-CA 3.26Å; R498-S501 VanDerWaalsContact O-CB 3.32Å; R498-S501 WeakPolarHBondContact O-CB 3.22Å; R498-S501 PolarHBondContact O-N 2.64Å; R498-E502 PolarHBondContact O-N 3.02Å |
| 499 | L | 81.6 | Confident | 75.6 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 41% | 0.414 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 178.5 | -173.1 | 69.2 | 0 | 0 | 0 | 112 | T495 K496 S501 E502 L503 | T495-L499 PolarHBondContact O-N 3.08Å; K496-L499 PolarHBondContact O-N 2.94Å; L499-S501 VanDerWaalsContact C-N 3.32Å; L499-S501 PolarHBondContact O-N 3.44Å; L499-E502 PolarHBondContact O-N 3.37Å; L499-L503 HydrophobicContact CG-CD1 4.17Å; L499-L503 WeakPolarHBondContact O-CB 3.3Å; L499-L503 VanDerWaalsContact O-CG 3.29Å; L499-L503 WeakPolarHBondContact O-CG 3.31Å; L499-L503 PolarHBondContact O-N 3.42Å |
| 500 | C | 68 | Low | 75.5 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 174.3 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | K496 E497 R498 T504 | K496-C500 PolarHBondContact O-N 2.91Å; K496-C500 PolarHBondContact O-SG 2.87Å; E497-C500 PolarHBondContact O-N 3.34Å; R498-C500 VanDerWaalsContact C-N 3.28Å; R498-C500 PolarHBondContact O-N 3.09Å; C500-T504 VanDerWaalsContact O-CB 3.31Å; C500-T504 WeakPolarHBondContact O-CB 3.32Å; C500-T504 PolarHBondContact O-N 2.79Å; C500-T504 PolarHBondContact O-OG1 2.98Å |
| 501 | S | 70.9 | Confident | 74.8 | Confident | 70 Ų | 70 | 99 Ų | 99 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 177.2 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | E497 R498 L499 T504 T505 | E497-S501 PolarHBondContact O-N 3.44Å; E497-S501 VanDerWaalsContact O-N 3.11Å; E497-S501 PolarHBondContact O-OG 3.13Å; R498-S501 WeakPolarHBondContact O-CA 3.26Å; R498-S501 VanDerWaalsContact O-CB 3.32Å; R498-S501 WeakPolarHBondContact O-CB 3.22Å; R498-S501 PolarHBondContact O-N 2.64Å; L499-S501 VanDerWaalsContact C-N 3.32Å; L499-S501 PolarHBondContact O-N 3.44Å; S501-T504 PolarHBondContact O-N 3.29Å; S501-T505 PolarHBondContact O-N 3.03Å; S501-T505 PolarHBondContact O-OG1 3.31Å |
| 502 | E | 78.1 | Confident | 74.3 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 174.3 | -70.6 | 167 | -164.4 | 0 | 0 | 111.5 | R498 L499 T504 T505 Q506 | R498-E502 PolarHBondContact O-N 3.02Å; L499-E502 PolarHBondContact O-N 3.37Å; E502-T504 VanDerWaalsContact C-N 3.33Å; E502-T504 PolarHBondContact O-N 3.41Å; E502-T505 WeakPolarHBondContact O-CB 3.47Å; E502-T505 PolarHBondContact O-N 2.88Å; E502-T505 VanDerWaalsContact O-N 3.15Å; E502-Q506 WeakPolarHBondContact O-CG 3.01Å; E502-Q506 PolarHBondContact O-N 3.37Å |
| 503 | L | 73.3 | Confident | 73.9 | Confident | 88 Ų | 88 | 99.2 Ų | 99.2 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 177.1 | -72.4 | 171.2 | 0 | 0 | 0 | 112.3 | L499 T505 Q506 L507 | L499-L503 HydrophobicContact CG-CD1 4.17Å; L499-L503 WeakPolarHBondContact O-CB 3.3Å; L499-L503 VanDerWaalsContact O-CG 3.29Å; L499-L503 WeakPolarHBondContact O-CG 3.31Å; L499-L503 PolarHBondContact O-N 3.42Å; L503-T505 VanDerWaalsContact C-N 3.32Å; L503-T505 PolarHBondContact O-N 3.07Å; L503-Q506 PolarHBondContact O-N 2.89Å; L503-L507 WeakPolarHBondContact O-CB 3.39Å; L503-L507 PolarHBondContact O-N 3.42Å |
| 504 | T | 70 | Confident | 73.3 | Confident | 95 Ų | 95 | 97.5 Ų | 97.5 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -40.4 | 175.3 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | C500 S501 E502 L507 S508 | C500-T504 VanDerWaalsContact O-CB 3.31Å; C500-T504 WeakPolarHBondContact O-CB 3.32Å; C500-T504 PolarHBondContact O-N 2.79Å; C500-T504 PolarHBondContact O-OG1 2.98Å; S501-T504 PolarHBondContact O-N 3.29Å; E502-T504 VanDerWaalsContact C-N 3.33Å; E502-T504 PolarHBondContact O-N 3.41Å; T504-L507 PolarHBondContact O-N 3.49Å; T504-S508 PolarHBondContact O-N 2.93Å |
| 505 | T | 80.9 | Confident | 72.8 | Confident | 81 Ų | 81 | 97 Ų | 97 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 176.9 | -53 | 0 | 0 | 0 | 0 | 111.3 | S501 E502 L503 L507 S508 N509 | S501-T505 PolarHBondContact O-N 3.03Å; S501-T505 PolarHBondContact O-OG1 3.31Å; E502-T505 WeakPolarHBondContact O-CB 3.47Å; E502-T505 PolarHBondContact O-N 2.88Å; E502-T505 VanDerWaalsContact O-N 3.15Å; L503-T505 VanDerWaalsContact C-N 3.32Å; L503-T505 PolarHBondContact O-N 3.07Å; T505-L507 VanDerWaalsContact C-N 3.35Å; T505-L507 PolarHBondContact O-N 2.69Å; T505-S508 PolarHBondContact O-N 3.04Å; T505-N509 PolarHBondContact O-N 3.41Å |
| 506 | Q | 76.1 | Confident | 72.3 | Confident | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 174.1 | -69.4 | 177.7 | 10.4 | 0 | 0 | 111.7 | E502 L503 S508 N509 T510 | E502-Q506 WeakPolarHBondContact O-CG 3.01Å; E502-Q506 PolarHBondContact O-N 3.37Å; L503-Q506 PolarHBondContact O-N 2.89Å; Q506-S508 VanDerWaalsContact C-N 3.33Å; Q506-S508 PolarHBondContact O-N 3.15Å; Q506-N509 PolarHBondContact O-N 2.82Å; Q506-T510 WeakPolarHBondContact O-CG2 3.4Å; Q506-T510 PolarHBondContact O-N 3.06Å; Q506-T510 PolarHBondContact O-OG1 3.06Å |
| 507 | L | 60.1 | Low | 72 | Confident | 96 Ų | 96 | 94.1 Ų | 94.1 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 175.2 | -112.5 | 166.6 | 0 | 0 | 0 | 113 | L503 T504 T505 T510 R511 | L503-L507 WeakPolarHBondContact O-CB 3.39Å; L503-L507 PolarHBondContact O-N 3.42Å; T504-L507 PolarHBondContact O-N 3.49Å; T505-L507 VanDerWaalsContact C-N 3.35Å; T505-L507 PolarHBondContact O-N 2.69Å; L507-T510 PolarHBondContact O-OG1 2.88Å; L507-R511 WeakPolarHBondContact O-CG 3.41Å; L507-R511 PolarHBondContact O-N 3.42Å |
| 508 | S | 71.3 | Confident | 71.8 | Confident | 80 Ų | 80 | 93 Ų | 93 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.3 | -41.5 | 175.1 | -165.1 | 0 | 0 | 0 | 0 | 111.7 | T504 T505 Q506 R511 G512 | T504-S508 PolarHBondContact O-N 2.93Å; T505-S508 PolarHBondContact O-N 3.04Å; Q506-S508 VanDerWaalsContact C-N 3.33Å; Q506-S508 PolarHBondContact O-N 3.15Å; S508-R511 PolarHBondContact O-N 3.46Å; S508-G512 PolarHBondContact O-N 3.47Å; S508-G512 VanDerWaalsContact O-N 3.14Å |
| 509 | N | 75.3 | Confident | 71.5 | Confident | 101 Ų | 101 | 91 Ų | 91 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 179.5 | -70.4 | -16.6 | 0 | 0 | 0 | 112.1 | T505 Q506 R511 G512 Q513 | T505-N509 PolarHBondContact O-N 3.41Å; Q506-N509 PolarHBondContact O-N 2.82Å; N509-R511 VanDerWaalsContact C-N 3.34Å; N509-R511 PolarHBondContact O-N 3.43Å; N509-G512 PolarHBondContact O-N 2.95Å; N509-Q513 WeakPolarHBondContact O-CG 3.44Å; N509-Q513 PolarHBondContact O-N 2.79Å |
| 510 | T | 73.4 | Confident | 71.1 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -32.4 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | Q506 L507 Q513 L514 | Q506-T510 WeakPolarHBondContact O-CG2 3.4Å; Q506-T510 PolarHBondContact O-N 3.06Å; Q506-T510 PolarHBondContact O-OG1 3.06Å; L507-T510 PolarHBondContact O-OG1 2.88Å; T510-Q513 PolarHBondContact O-N 3.04Å; T510-L514 WeakPolarHBondContact O-CB 3.4Å; T510-L514 PolarHBondContact O-N 2.81Å |
| 511 | R | 64.8 | Low | 70.2 | Confident | 114 Ų | 114 | 94.8 Ų | 94.8 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 169.2 | -77.4 | 177.8 | -178.6 | 174.9 | 2.9 | 112.4 | L507 S508 N509 Q513 L514 E515 | L507-R511 WeakPolarHBondContact O-CG 3.41Å; L507-R511 PolarHBondContact O-N 3.42Å; S508-R511 PolarHBondContact O-N 3.46Å; N509-R511 VanDerWaalsContact C-N 3.34Å; N509-R511 PolarHBondContact O-N 3.43Å; R511-Q513 VanDerWaalsContact C-N 3.27Å; R511-Q513 PolarHBondContact O-N 3.24Å; R511-L514 WeakPolarHBondContact O-CB 3.48Å; R511-L514 PolarHBondContact O-N 3.16Å; R511-L514 VanDerWaalsContact O-N 3.11Å; R511-E515 PolarHBondContact O-N 3.25Å |
| 512 | G | 72.6 | Confident | 70.2 | Confident | 30 Ų | 30 | 95.1 Ų | 95.1 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -34.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S508 N509 N516 | S508-G512 PolarHBondContact O-N 3.47Å; S508-G512 VanDerWaalsContact O-N 3.14Å; N509-G512 PolarHBondContact O-N 2.95Å; G512-N516 PolarHBondContact O-N 3.1Å; G512-N516 PolarHBondContact O-ND2 2.82Å |
| 513 | Q | 72.6 | Confident | 69.5 | Low | 129 Ų | 129 | 93 Ų | 93 | 60% | 0.603 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -48.2 | 171.5 | -72.9 | 174.3 | -20.8 | 0 | 0 | 111.7 | N509 T510 R511 E515 N516 T517 | N509-Q513 WeakPolarHBondContact O-CG 3.44Å; N509-Q513 PolarHBondContact O-N 2.79Å; T510-Q513 PolarHBondContact O-N 3.04Å; R511-Q513 VanDerWaalsContact C-N 3.27Å; R511-Q513 PolarHBondContact O-N 3.24Å; Q513-E515 PolarHBondContact O-N 3.42Å; Q513-N516 PolarHBondContact O-N 3.38Å; Q513-N516 VanDerWaalsContact O-N 3.13Å; Q513-T517 PolarHBondContact O-N 3.35Å; Q513-T517 PolarHBondContact O-OG1 3.17Å |
| 514 | L | 57.9 | Low | 68.7 | Low | 107 Ų | 107 | 92.3 Ų | 92.3 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 179 | -176.3 | 63.9 | 0 | 0 | 0 | 112.4 | T510 R511 N516 T517 I518 | T510-L514 WeakPolarHBondContact O-CB 3.4Å; T510-L514 PolarHBondContact O-N 2.81Å; R511-L514 WeakPolarHBondContact O-CB 3.48Å; R511-L514 PolarHBondContact O-N 3.16Å; R511-L514 VanDerWaalsContact O-N 3.11Å; L514-N516 VanDerWaalsContact C-N 3.28Å; L514-N516 PolarHBondContact O-N 3.35Å; L514-T517 PolarHBondContact O-N 3.04Å; L514-I518 HydrophobicContact CD1-CD1 4.49Å; L514-I518 HydrophobicContact CG-CD1 4.09Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.41Å; L514-I518 PolarHBondContact O-N 3.03Å |
| 515 | E | 73.8 | Confident | 68.3 | Low | 103 Ų | 103 | 95.2 Ų | 95.2 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -34.9 | 175.2 | -75.2 | 177.2 | -148.4 | 0 | 0 | 113.2 | R511 Q513 K519 | R511-E515 PolarHBondContact O-N 3.25Å; Q513-E515 PolarHBondContact O-N 3.42Å; E515-K519 WeakPolarHBondContact O-CD 3.47Å; E515-K519 WeakPolarHBondContact O-CG 3.28Å; E515-K519 PolarHBondContact O-N 3.06Å |
| 516 | N | 71.3 | Confident | 67.4 | Low | 86 Ų | 86 | 94 Ų | 94 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.6 | -45.3 | 176.8 | -70.6 | -21.9 | 0 | 0 | 0 | 111.3 | G512 Q513 L514 I518 K519 E520 | G512-N516 PolarHBondContact O-N 3.1Å; G512-N516 PolarHBondContact O-ND2 2.82Å; Q513-N516 PolarHBondContact O-N 3.38Å; Q513-N516 VanDerWaalsContact O-N 3.13Å; L514-N516 VanDerWaalsContact C-N 3.28Å; L514-N516 PolarHBondContact O-N 3.35Å; N516-I518 VanDerWaalsContact C-N 3.27Å; N516-I518 PolarHBondContact O-N 2.99Å; N516-K519 WeakPolarHBondContact O-CB 3.27Å; N516-K519 PolarHBondContact O-N 3.29Å; N516-E520 WeakPolarHBondContact O-CG 3.48Å; N516-E520 PolarHBondContact O-N 3.11Å |
| 517 | T | 69.6 | Low | 66.5 | Low | 68 Ų | 68 | 94.6 Ų | 94.6 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -35.8 | 175.6 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | Q513 L514 E520 L521 | Q513-T517 PolarHBondContact O-N 3.35Å; Q513-T517 PolarHBondContact O-OG1 3.17Å; L514-T517 PolarHBondContact O-N 3.04Å; T517-E520 PolarHBondContact O-N 3.13Å; T517-L521 HydrophobicContact CG2-CD1 4.28Å; T517-L521 WeakPolarHBondContact O-CB 3.32Å; T517-L521 WeakPolarHBondContact O-CG 3.47Å; T517-L521 PolarHBondContact O-N 3.38Å |
| 518 | I | 68.5 | Low | 66 | Low | 89 Ų | 89 | 93.1 Ų | 93.1 | 46% | 0.456 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 173.7 | -71.3 | 165.9 | 0 | 0 | 0 | 111.4 | L514 N516 L521 E522 | L514-I518 HydrophobicContact CD1-CD1 4.49Å; L514-I518 HydrophobicContact CG-CD1 4.09Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.41Å; L514-I518 PolarHBondContact O-N 3.03Å; N516-I518 VanDerWaalsContact C-N 3.27Å; N516-I518 PolarHBondContact O-N 2.99Å; I518-L521 PolarHBondContact O-N 2.93Å; I518-E522 WeakPolarHBondContact O-CB 3.43Å; I518-E522 PolarHBondContact O-N 3.33Å |
| 519 | K | 72.3 | Confident | 65.3 | Low | 122 Ų | 122 | 94.3 Ų | 94.3 | 53% | 0.53 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 176.7 | -67 | 162.3 | -166.7 | 157.3 | 0 | 112 | E515 N516 E522 S523 | E515-K519 WeakPolarHBondContact O-CD 3.47Å; E515-K519 WeakPolarHBondContact O-CG 3.28Å; E515-K519 PolarHBondContact O-N 3.06Å; N516-K519 WeakPolarHBondContact O-CB 3.27Å; N516-K519 PolarHBondContact O-N 3.29Å; K519-E522 PolarHBondContact O-N 3.06Å; K519-S523 PolarHBondContact O-N 2.82Å |
| 520 | E | 71.6 | Confident | 64.6 | Low | 124 Ų | 124 | 97.8 Ų | 97.8 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 175.8 | -70.6 | 168.1 | 168.3 | 0 | 0 | 111.5 | N516 T517 E522 S523 V524 | N516-E520 WeakPolarHBondContact O-CG 3.48Å; N516-E520 PolarHBondContact O-N 3.11Å; T517-E520 PolarHBondContact O-N 3.13Å; E520-E522 VanDerWaalsContact C-N 3.33Å; E520-E522 PolarHBondContact O-N 2.9Å; E520-S523 WeakPolarHBondContact O-CB 3.46Å; E520-S523 PolarHBondContact O-N 2.7Å; E520-V524 WeakPolarHBondContact O-CG2 3.48Å; E520-V524 PolarHBondContact O-N 3.11Å |
| 521 | L | 50.8 | Low | 63.8 | Low | 110 Ų | 110 | 95.7 Ų | 95.7 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.3 | -39.2 | 174.4 | -73 | 171 | 0 | 0 | 0 | 112.4 | T517 I518 V524 R525 | T517-L521 HydrophobicContact CG2-CD1 4.28Å; T517-L521 WeakPolarHBondContact O-CB 3.32Å; T517-L521 WeakPolarHBondContact O-CG 3.47Å; T517-L521 PolarHBondContact O-N 3.38Å; I518-L521 PolarHBondContact O-N 2.93Å; L521-V524 PolarHBondContact O-N 3.02Å; L521-R525 WeakPolarHBondContact O-CB 3.34Å; L521-R525 PolarHBondContact O-N 2.86Å |
| 522 | E | 70.4 | Confident | 63.3 | Low | 76 Ų | 76 | 91.9 Ų | 91.9 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 176.3 | -170.6 | 54.4 | -128.3 | 0 | 0 | 111.9 | I518 K519 E520 R525 C526 | I518-E522 WeakPolarHBondContact O-CB 3.43Å; I518-E522 PolarHBondContact O-N 3.33Å; K519-E522 PolarHBondContact O-N 3.06Å; E520-E522 VanDerWaalsContact C-N 3.33Å; E520-E522 PolarHBondContact O-N 2.9Å; E522-R525 VanDerWaalsContact CD-NH2 3.29Å; E522-R525 WeakPolarHBondContact O-CB 3.43Å; E522-R525 PolarHBondContact O-N 3.49Å; E522-R525 IonicContact OE1-CZ 2.6Å; E522-R525 IonicContact OE1-NE 3.67Å; E522-R525 PolarHBondContact OE1-NE 2.73Å; E522-R525 IonicContact OE1-NH2 3.36Å; E522-R525 PolarHBondContact OE1-NH2 3.49Å; E522-R525 IonicContact OE2-CZ 3.47Å; E522-R525 IonicContact OE2-NE 2.65Å; E522-R525 PolarHBondContact OE2-NE 3.05Å; E522-R525 VanDerWaalsContact OE2-NE 3.15Å; E522-R525 IonicContact OE2-NH2 2.67Å; E522-R525 PolarHBondContact OE2-NH2 2.72Å; E522-C526 PolarHBondContact O-N 3.08Å; E522-C526 PolarHBondContact O-SG 2.87Å |
| 523 | S | 63.1 | Low | 62.8 | Low | 65 Ų | 65 | 93.3 Ų | 93.3 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | K519 E520 C526 R527 | K519-S523 PolarHBondContact O-N 2.82Å; E520-S523 WeakPolarHBondContact O-CB 3.46Å; E520-S523 PolarHBondContact O-N 2.7Å; S523-C526 PolarHBondContact O-N 3.19Å; S523-R527 PolarHBondContact O-N 3.31Å |
| 524 | V | 55.4 | Low | 62.5 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | E520 L521 C526 R527 A528 | E520-V524 WeakPolarHBondContact O-CG2 3.48Å; E520-V524 PolarHBondContact O-N 3.11Å; L521-V524 PolarHBondContact O-N 3.02Å; V524-C526 VanDerWaalsContact C-N 3.34Å; V524-C526 PolarHBondContact O-N 2.92Å; V524-R527 PolarHBondContact O-N 3.26Å; V524-R527 VanDerWaalsContact O-N 3.14Å; V524-A528 PolarHBondContact O-N 3.15Å |
| 525 | R | 62.7 | Low | 62.7 | Low | 155 Ų | 155 | 92.4 Ų | 92.4 | 59% | 0.585 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.5 | -45.8 | 175.5 | -170.2 | 177 | 78.8 | 142.7 | 0.6 | 111.5 | L521 E522 R527 A528 V529 | L521-R525 WeakPolarHBondContact O-CB 3.34Å; L521-R525 PolarHBondContact O-N 2.86Å; E522-R525 VanDerWaalsContact CD-NH2 3.29Å; E522-R525 WeakPolarHBondContact O-CB 3.43Å; E522-R525 PolarHBondContact O-N 3.49Å; E522-R525 IonicContact OE1-CZ 2.6Å; E522-R525 IonicContact OE1-NE 3.67Å; E522-R525 PolarHBondContact OE1-NE 2.73Å; E522-R525 IonicContact OE1-NH2 3.36Å; E522-R525 PolarHBondContact OE1-NH2 3.49Å; E522-R525 IonicContact OE2-CZ 3.47Å; E522-R525 IonicContact OE2-NE 2.65Å; E522-R525 PolarHBondContact OE2-NE 3.05Å; E522-R525 VanDerWaalsContact OE2-NE 3.15Å; E522-R525 IonicContact OE2-NH2 2.67Å; E522-R525 PolarHBondContact OE2-NH2 2.72Å; R525-R527 PolarHBondContact O-N 3.21Å; R525-A528 PolarHBondContact O-N 3.41Å; R525-V529 WeakPolarHBondContact O-CG2 3.32Å; R525-V529 PolarHBondContact O-N 3.32Å |
| 526 | C | 61.8 | Low | 62.4 | Low | 55 Ų | 55 | 94.5 Ų | 94.5 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.9 | -70.7 | 0 | 0 | 0 | 0 | 112.9 | E522 S523 V524 R530 | E522-C526 PolarHBondContact O-N 3.08Å; E522-C526 PolarHBondContact O-SG 2.87Å; S523-C526 PolarHBondContact O-N 3.19Å; V524-C526 VanDerWaalsContact C-N 3.34Å; V524-C526 PolarHBondContact O-N 2.92Å; C526-R530 WeakPolarHBondContact O-CG 3.45Å; C526-R530 PolarHBondContact O-N 3.11Å |
| 527 | R | 56.8 | Low | 62.5 | Low | 131 Ų | 131 | 98.3 Ų | 98.3 | 49% | 0.494 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 173.7 | -73.4 | -166.7 | -75.1 | 162.1 | -2.6 | 111.8 | S523 V524 R525 V529 R530 G531 E674 | S523-R527 PolarHBondContact O-N 3.31Å; V524-R527 PolarHBondContact O-N 3.26Å; V524-R527 VanDerWaalsContact O-N 3.14Å; R525-R527 PolarHBondContact O-N 3.21Å; R527-V529 PolarHBondContact O-N 3.32Å; R527-R530 PolarHBondContact O-N 2.96Å; R527-G531 PolarHBondContact O-N 2.87Å; R527-E674 IonicContact NH1-OE2 3.02Å; R527-E674 PolarHBondContact NH1-OE2 3.48Å; R527-E674 VanDerWaalsContact NH1-OE2 3.14Å |
| 528 | A | 49.3 | Very low | 62.9 | Low | 65 Ų | 65 | 102.5 Ų | 102.5 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V524 R525 R530 G531 G532 | V524-A528 PolarHBondContact O-N 3.15Å; R525-A528 PolarHBondContact O-N 3.41Å; A528-R530 PolarHBondContact O-N 2.99Å; A528-G531 PolarHBondContact O-N 2.92Å; A528-G532 PolarHBondContact O-N 2.89Å |
| 529 | V | 58.2 | Low | 63.2 | Low | 104 Ų | 104 | 104.2 Ų | 104.2 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 175.6 | 171 | 0 | 0 | 0 | 0 | 111.8 | R525 R527 G532 A533 | R525-V529 WeakPolarHBondContact O-CG2 3.32Å; R525-V529 PolarHBondContact O-N 3.32Å; R527-V529 PolarHBondContact O-N 3.32Å; V529-G532 PolarHBondContact O-N 3.27Å; V529-A533 PolarHBondContact O-N 3.1Å; V529-A533 VanDerWaalsContact O-N 3.15Å |
| 530 | R | 59.8 | Low | 63.5 | Low | 174 Ų | 174 | 102 Ų | 102 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -46.2 | 175.4 | -67.2 | 176.1 | -160.9 | -160.2 | 4 | 111.7 | C526 R527 A528 G532 A533 E534 | C526-R530 WeakPolarHBondContact O-CG 3.45Å; C526-R530 PolarHBondContact O-N 3.11Å; R527-R530 PolarHBondContact O-N 2.96Å; A528-R530 PolarHBondContact O-N 2.99Å; R530-G532 VanDerWaalsContact C-N 3.3Å; R530-G532 PolarHBondContact O-N 3.05Å; R530-A533 PolarHBondContact O-N 3.35Å; R530-E534 PolarHBondContact O-N 3.5Å |
| 531 | G | 57 | Low | 64.1 | Low | 30 Ų | 30 | 99.3 Ų | 99.3 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R527 A528 E534 V535 | R527-G531 PolarHBondContact O-N 2.87Å; A528-G531 PolarHBondContact O-N 2.92Å; G531-E534 PolarHBondContact O-N 3.09Å; G531-V535 VanDerWaalsContact O-CG2 3.32Å; G531-V535 WeakPolarHBondContact O-CG2 3.2Å; G531-V535 PolarHBondContact O-N 3Å |
| 532 | G | 54.2 | Low | 65.4 | Low | 34 Ų | 34 | 98.2 Ų | 98.2 | 35% | 0.351 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A528 V529 R530 E534 V535 E536 | A528-G532 PolarHBondContact O-N 2.89Å; V529-G532 PolarHBondContact O-N 3.27Å; R530-G532 VanDerWaalsContact C-N 3.3Å; R530-G532 PolarHBondContact O-N 3.05Å; G532-E534 VanDerWaalsContact C-N 3.31Å; G532-E534 PolarHBondContact O-N 3.11Å; G532-V535 PolarHBondContact O-N 2.95Å; G532-E536 PolarHBondContact O-N 2.94Å |
| 533 | A | 61.9 | Low | 66 | Low | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V529 R530 R537 | V529-A533 PolarHBondContact O-N 3.1Å; V529-A533 VanDerWaalsContact O-N 3.15Å; R530-A533 PolarHBondContact O-N 3.35Å; A533-R537 PolarHBondContact O-N 3.39Å |
| 534 | E | 65.8 | Low | 67 | Low | 119 Ų | 119 | 97.9 Ų | 97.9 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -50.8 | 170.2 | -75.7 | 173.5 | -166.1 | 0 | 0 | 110.8 | R530 G531 G532 E536 R537 W538 | R530-E534 PolarHBondContact O-N 3.5Å; G531-E534 PolarHBondContact O-N 3.09Å; G532-E534 VanDerWaalsContact C-N 3.31Å; G532-E534 PolarHBondContact O-N 3.11Å; E534-E536 VanDerWaalsContact C-N 3.32Å; E534-E536 PolarHBondContact O-N 2.76Å; E534-R537 WeakPolarHBondContact O-CA 3.3Å; E534-R537 WeakPolarHBondContact O-CB 3.37Å; E534-R537 PolarHBondContact O-N 2.99Å; E534-W538 PolarHBondContact O-N 3.29Å |
| 535 | V | 62.6 | Low | 68.3 | Low | 99 Ų | 99 | 99.7 Ų | 99.7 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.2 | -40.4 | 179.8 | 168.9 | 0 | 0 | 0 | 0 | 112.4 | G531 G532 R537 W538 H539 | G531-V535 VanDerWaalsContact O-CG2 3.32Å; G531-V535 WeakPolarHBondContact O-CG2 3.2Å; G531-V535 PolarHBondContact O-N 3Å; G532-V535 PolarHBondContact O-N 2.95Å; V535-R537 VanDerWaalsContact C-N 3.33Å; V535-R537 PolarHBondContact O-N 3.29Å; V535-W538 PolarHBondContact O-N 3.32Å; V535-H539 WeakPolarHBondContact O-CB 3.45Å; V535-H539 PolarHBondContact O-N 3.4Å |
| 536 | E | 68.2 | Low | 69.3 | Low | 147 Ų | 147 | 97.1 Ų | 97.1 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 173.7 | -72.6 | -176.7 | 169.2 | 0 | 0 | 112.1 | G532 E534 H539 S540 | G532-E536 PolarHBondContact O-N 2.94Å; E534-E536 VanDerWaalsContact C-N 3.32Å; E534-E536 PolarHBondContact O-N 2.76Å; E536-H539 PolarHBondContact O-N 2.87Å; E536-S540 PolarHBondContact O-N 2.91Å |
| 537 | R | 73.6 | Confident | 70.4 | Confident | 165 Ų | 165 | 98.5 Ų | 98.5 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -47.3 | 174.7 | -175.7 | 175 | 177.6 | -90.3 | -9.9 | 111.9 | A533 E534 V535 H539 S540 D541 | A533-R537 PolarHBondContact O-N 3.39Å; E534-R537 WeakPolarHBondContact O-CA 3.3Å; E534-R537 WeakPolarHBondContact O-CB 3.37Å; E534-R537 PolarHBondContact O-N 2.99Å; V535-R537 VanDerWaalsContact C-N 3.33Å; V535-R537 PolarHBondContact O-N 3.29Å; R537-H539 VanDerWaalsContact C-N 3.25Å; R537-H539 PolarHBondContact O-N 3.02Å; R537-S540 WeakPolarHBondContact O-CB 3.47Å; R537-S540 PolarHBondContact O-N 2.89Å; R537-D541 IonicContact CZ-OD2 2.7Å; R537-D541 PolarHBondContact O-N 2.9Å |
| 538 | W | 77.6 | Confident | 71.9 | Confident | 156 Ų | 156 | 95.5 Ų | 95.5 | 59% | 0.591 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.1 | -37 | 174.2 | -77 | 98.9 | 0 | 0 | 0 | 112.1 | E534 V535 D541 L542 | E534-W538 PolarHBondContact O-N 3.29Å; V535-W538 PolarHBondContact O-N 3.32Å; W538-D541 PolarHBondContact O-N 3.43Å; W538-L542 VanDerWaalsContact O-CB 3.3Å; W538-L542 WeakPolarHBondContact O-CB 3.48Å; W538-L542 PolarHBondContact O-N 3.36Å |
| 539 | H | 73.3 | Confident | 73.4 | Confident | 125 Ų | 125 | 97.2 Ų | 97.2 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.4 | -39.1 | 177.1 | -167 | 76.3 | 0 | 0 | 0 | 112.6 | V535 E536 R537 T543 | V535-H539 WeakPolarHBondContact O-CB 3.45Å; V535-H539 PolarHBondContact O-N 3.4Å; E536-H539 PolarHBondContact O-N 2.87Å; R537-H539 VanDerWaalsContact C-N 3.25Å; R537-H539 PolarHBondContact O-N 3.02Å; H539-T543 WeakPolarHBondContact O-CB 3.41Å; H539-T543 PolarHBondContact O-N 2.88Å; H539-T543 PolarHBondContact O-OG1 3.21Å |
| 540 | S | 79.4 | Confident | 74.8 | Confident | 76 Ų | 76 | 99.5 Ų | 99.5 | 53% | 0.531 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 171.3 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | E536 R537 L542 T543 S544 | E536-S540 PolarHBondContact O-N 2.91Å; R537-S540 WeakPolarHBondContact O-CB 3.47Å; R537-S540 PolarHBondContact O-N 2.89Å; S540-L542 PolarHBondContact O-N 3.45Å; S540-T543 PolarHBondContact O-N 3.34Å; S540-S544 PolarHBondContact O-N 2.88Å |
| 541 | D | 83.7 | Confident | 76 | Confident | 67 Ų | 67 | 97.5 Ų | 97.5 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 179.3 | -68.8 | -21.6 | 0 | 0 | 0 | 111.2 | R537 W538 T543 S544 L545 | R537-D541 IonicContact CZ-OD2 2.7Å; R537-D541 PolarHBondContact O-N 2.9Å; W538-D541 PolarHBondContact O-N 3.43Å; D541-T543 PolarHBondContact O-N 2.92Å; D541-S544 WeakPolarHBondContact O-CB 3.36Å; D541-S544 PolarHBondContact O-N 3.33Å; D541-L545 WeakPolarHBondContact O-CG 3.49Å; D541-L545 PolarHBondContact O-N 2.97Å |
| 542 | L | 78.3 | Confident | 77.4 | Confident | 88 Ų | 88 | 100.6 Ų | 100.6 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 173.7 | -180 | 63.9 | 0 | 0 | 0 | 112.1 | W538 S540 L545 Q546 | W538-L542 VanDerWaalsContact O-CB 3.3Å; W538-L542 WeakPolarHBondContact O-CB 3.48Å; W538-L542 PolarHBondContact O-N 3.36Å; S540-L542 PolarHBondContact O-N 3.45Å; L542-L545 PolarHBondContact O-N 3.12Å; L542-Q546 WeakPolarHBondContact O-CG 3.29Å; L542-Q546 PolarHBondContact O-N 2.77Å |
| 543 | T | 84.3 | Confident | 78.9 | Confident | 68 Ų | 68 | 102 Ų | 102 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | H539 S540 D541 L545 Q546 T547 | H539-T543 WeakPolarHBondContact O-CB 3.41Å; H539-T543 PolarHBondContact O-N 2.88Å; H539-T543 PolarHBondContact O-OG1 3.21Å; S540-T543 PolarHBondContact O-N 3.34Å; D541-T543 PolarHBondContact O-N 2.92Å; T543-L545 PolarHBondContact O-N 3.47Å; T543-Q546 WeakPolarHBondContact O-CB 3.47Å; T543-Q546 PolarHBondContact O-N 3.09Å; T543-Q546 VanDerWaalsContact O-N 3.14Å; T543-T547 PolarHBondContact O-N 3.14Å; T543-T547 PolarHBondContact O-OG1 3.5Å |
| 544 | S | 83.9 | Confident | 80.2 | Confident | 65 Ų | 65 | 102.4 Ų | 102.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57 | -46.5 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | S540 D541 Q546 T547 T548 | S540-S544 PolarHBondContact O-N 2.88Å; D541-S544 WeakPolarHBondContact O-CB 3.36Å; D541-S544 PolarHBondContact O-N 3.33Å; S544-Q546 PolarHBondContact O-N 3.49Å; S544-T547 WeakPolarHBondContact CA-OG1 3.39Å; S544-T547 PolarHBondContact O-N 3.16Å; S544-T547 PolarHBondContact O-OG1 3.09Å; S544-T548 WeakPolarHBondContact O-CB 3.46Å; S544-T548 PolarHBondContact O-N 2.88Å; S544-T548 PolarHBondContact O-OG1 3.1Å |
| 545 | L | 82.2 | Confident | 81.3 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 175 | -72 | 171.8 | 0 | 0 | 0 | 112.4 | D541 L542 T543 T548 N549 | D541-L545 WeakPolarHBondContact O-CG 3.49Å; D541-L545 PolarHBondContact O-N 2.97Å; L542-L545 PolarHBondContact O-N 3.12Å; T543-L545 PolarHBondContact O-N 3.47Å; L545-T548 PolarHBondContact O-N 3.3Å; L545-N549 VanDerWaalsContact O-CB 3.32Å; L545-N549 WeakPolarHBondContact O-CB 3.35Å; L545-N549 PolarHBondContact O-N 3.28Å |
| 546 | Q | 83.5 | Confident | 82.4 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.4 | -72.9 | 178.6 | 8.7 | 0 | 0 | 112.5 | L542 T543 S544 N549 K550 | L542-Q546 WeakPolarHBondContact O-CG 3.29Å; L542-Q546 PolarHBondContact O-N 2.77Å; T543-Q546 WeakPolarHBondContact O-CB 3.47Å; T543-Q546 PolarHBondContact O-N 3.09Å; T543-Q546 VanDerWaalsContact O-N 3.14Å; S544-Q546 PolarHBondContact O-N 3.49Å; Q546-N549 PolarHBondContact O-N 2.97Å; Q546-K550 WeakPolarHBondContact O-CG 3.31Å; Q546-K550 PolarHBondContact O-N 3.11Å |
| 547 | T | 85.8 | Confident | 83.4 | Confident | 85 Ų | 85 | 97.5 Ų | 97.5 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 172.3 | 20.8 | 0 | 0 | 0 | 0 | 112.1 | T543 S544 N549 K550 F551 | T543-T547 PolarHBondContact O-N 3.14Å; T543-T547 PolarHBondContact O-OG1 3.5Å; S544-T547 WeakPolarHBondContact CA-OG1 3.39Å; S544-T547 PolarHBondContact O-N 3.16Å; S544-T547 PolarHBondContact O-OG1 3.09Å; T547-N549 PolarHBondContact O-N 3.19Å; T547-K550 PolarHBondContact O-N 3.38Å; T547-F551 PolarHBondContact O-N 2.95Å |
| 548 | T | 87.8 | Confident | 84.1 | Confident | 67 Ų | 67 | 93.4 Ų | 93.4 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 178.4 | -56.3 | 0 | 0 | 0 | 0 | 111 | S544 L545 F551 L552 | S544-T548 WeakPolarHBondContact O-CB 3.46Å; S544-T548 PolarHBondContact O-N 2.88Å; S544-T548 PolarHBondContact O-OG1 3.1Å; L545-T548 PolarHBondContact O-N 3.3Å; T548-F551 WeakPolarHBondContact O-CB 3.47Å; T548-F551 PolarHBondContact O-N 3.34Å; T548-L552 HydrophobicContact CG2-CD1 4.14Å; T548-L552 HydrophobicContact CG2-CG 4.49Å; T548-L552 WeakPolarHBondContact O-CG 3.5Å; T548-L552 PolarHBondContact O-N 3.44Å |
| 549 | N | 81.4 | Confident | 84.6 | Confident | 102 Ų | 102 | 90.7 Ų | 90.7 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 178.9 | -164.4 | 1.8 | 0 | 0 | 0 | 112.3 | L545 Q546 T547 F551 L552 S553 | L545-N549 VanDerWaalsContact O-CB 3.32Å; L545-N549 WeakPolarHBondContact O-CB 3.35Å; L545-N549 PolarHBondContact O-N 3.28Å; Q546-N549 PolarHBondContact O-N 2.97Å; T547-N549 PolarHBondContact O-N 3.19Å; N549-F551 PolarHBondContact O-N 2.9Å; N549-L552 PolarHBondContact O-N 3.44Å; N549-S553 VanDerWaalsContact O-CB 3.26Å; N549-S553 WeakPolarHBondContact O-CB 3.29Å; N549-S553 PolarHBondContact O-N 2.95Å; N549-S553 PolarHBondContact O-OG 3.37Å |
| 550 | K | 86.3 | Confident | 85.4 | Confident | 152 Ų | 152 | 92 Ų | 92 | 66% | 0.661 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.5 | -44.1 | 170.6 | -74.7 | 172.9 | -179.5 | 175.2 | 0 | 111.9 | Q546 T547 S553 S554 | Q546-K550 WeakPolarHBondContact O-CG 3.31Å; Q546-K550 PolarHBondContact O-N 3.11Å; T547-K550 PolarHBondContact O-N 3.38Å; K550-S553 PolarHBondContact O-N 3.22Å; K550-S554 PolarHBondContact O-N 2.97Å |
| 551 | F | 85.4 | Confident | 85.9 | Confident | 132 Ų | 132 | 92.5 Ų | 92.5 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64 | -47.5 | 177.9 | 177.5 | -116.8 | 0 | 0 | 0 | 112.3 | T547 T548 N549 S553 S554 Q555 | T547-F551 PolarHBondContact O-N 2.95Å; T548-F551 WeakPolarHBondContact O-CB 3.47Å; T548-F551 PolarHBondContact O-N 3.34Å; N549-F551 PolarHBondContact O-N 2.9Å; F551-S553 PolarHBondContact O-N 3.46Å; F551-S554 WeakPolarHBondContact O-CB 3.37Å; F551-S554 PolarHBondContact O-N 3.07Å; F551-Q555 PolarHBondContact O-N 3.34Å |
| 552 | L | 86.8 | Confident | 86.2 | Confident | 94 Ų | 94 | 95.3 Ų | 95.3 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 175.9 | -69 | 173.9 | 0 | 0 | 0 | 112.4 | T548 N549 S554 Q555 L556 | T548-L552 HydrophobicContact CG2-CD1 4.14Å; T548-L552 HydrophobicContact CG2-CG 4.49Å; T548-L552 WeakPolarHBondContact O-CG 3.5Å; T548-L552 PolarHBondContact O-N 3.44Å; N549-L552 PolarHBondContact O-N 3.44Å; L552-S554 VanDerWaalsContact C-N 3.32Å; L552-S554 PolarHBondContact O-N 2.92Å; L552-Q555 PolarHBondContact O-N 3.1Å; L552-L556 WeakPolarHBondContact O-CB 3.33Å; L552-L556 PolarHBondContact O-N 3.48Å |
| 553 | S | 86.3 | Confident | 86.6 | Confident | 65 Ų | 65 | 95 Ų | 95 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 174.8 | -63 | 0 | 0 | 0 | 0 | 111.9 | N549 K550 F551 L556 N557 | N549-S553 VanDerWaalsContact O-CB 3.26Å; N549-S553 WeakPolarHBondContact O-CB 3.29Å; N549-S553 PolarHBondContact O-N 2.95Å; N549-S553 PolarHBondContact O-OG 3.37Å; K550-S553 PolarHBondContact O-N 3.22Å; F551-S553 PolarHBondContact O-N 3.46Å; S553-L556 PolarHBondContact O-N 2.85Å; S553-N557 PolarHBondContact O-N 2.76Å; S553-N557 VanDerWaalsContact O-N 3.07Å |
| 554 | S | 87.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 47% | 0.469 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 173.7 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | K550 F551 L552 L556 N557 D558 | K550-S554 PolarHBondContact O-N 2.97Å; F551-S554 WeakPolarHBondContact O-CB 3.37Å; F551-S554 PolarHBondContact O-N 3.07Å; L552-S554 VanDerWaalsContact C-N 3.32Å; L552-S554 PolarHBondContact O-N 2.92Å; S554-L556 VanDerWaalsContact C-N 3.32Å; S554-L556 PolarHBondContact O-N 3.28Å; S554-N557 PolarHBondContact O-N 2.89Å; S554-D558 PolarHBondContact O-N 3.28Å |
| 555 | Q | 89.6 | Confident | 86.9 | Confident | 85 Ų | 85 | 95.6 Ų | 95.6 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 177.1 | -70.9 | -166.6 | 39.7 | 0 | 0 | 112.5 | F551 L552 N557 D558 L559 | F551-Q555 PolarHBondContact O-N 3.34Å; L552-Q555 PolarHBondContact O-N 3.1Å; Q555-N557 VanDerWaalsContact C-N 3.3Å; Q555-N557 PolarHBondContact O-N 2.88Å; Q555-D558 PolarHBondContact O-N 3.23Å; Q555-L559 WeakPolarHBondContact O-CB 3.45Å; Q555-L559 WeakPolarHBondContact O-CG 3.27Å; Q555-L559 PolarHBondContact O-N 3.4Å |
| 556 | L | 86.1 | Confident | 87.1 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 177.3 | -175.3 | 65.6 | 0 | 0 | 0 | 111.4 | L552 S553 S554 L559 R560 | L552-L556 WeakPolarHBondContact O-CB 3.33Å; L552-L556 PolarHBondContact O-N 3.48Å; S553-L556 PolarHBondContact O-N 2.85Å; S554-L556 VanDerWaalsContact C-N 3.32Å; S554-L556 PolarHBondContact O-N 3.28Å; L556-L559 PolarHBondContact O-N 2.99Å; L556-R560 WeakPolarHBondContact O-CG 3.3Å; L556-R560 PolarHBondContact O-N 3.2Å |
| 557 | N | 88.1 | Confident | 87.3 | Confident | 86 Ų | 86 | 95.1 Ų | 95.1 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 176.9 | -158.6 | 47.4 | 0 | 0 | 0 | 111.8 | S553 S554 Q555 L559 R560 N561 | S553-N557 PolarHBondContact O-N 2.76Å; S553-N557 VanDerWaalsContact O-N 3.07Å; S554-N557 PolarHBondContact O-N 2.89Å; Q555-N557 VanDerWaalsContact C-N 3.3Å; Q555-N557 PolarHBondContact O-N 2.88Å; N557-L559 VanDerWaalsContact C-N 3.33Å; N557-L559 PolarHBondContact O-N 3.03Å; N557-R560 PolarHBondContact O-N 2.96Å; N557-N561 VanDerWaalsContact O-CG 3.28Å; N557-N561 PolarHBondContact O-N 3.3Å; N557-N561 PolarHBondContact O-ND2 2.89Å |
| 558 | D | 88.6 | Confident | 87.4 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 173.6 | -75.7 | -17.5 | 0 | 0 | 0 | 112.5 | S554 Q555 N561 K562 | S554-D558 PolarHBondContact O-N 3.28Å; Q555-D558 PolarHBondContact O-N 3.23Å; D558-N561 PolarHBondContact O-N 3.07Å; D558-K562 WeakPolarHBondContact O-CB 3.45Å; D558-K562 WeakPolarHBondContact O-CD 3.44Å; D558-K562 VanDerWaalsContact O-CG 3.26Å; D558-K562 WeakPolarHBondContact O-CG 3.12Å; D558-K562 PolarHBondContact O-N 3.46Å |
| 559 | L | 88.6 | Confident | 87.4 | Confident | 99 Ų | 99 | 100.2 Ų | 100.2 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 175 | -73.6 | 172.1 | 0 | 0 | 0 | 111.6 | Q555 L556 N557 N561 K562 V563 | Q555-L559 WeakPolarHBondContact O-CB 3.45Å; Q555-L559 WeakPolarHBondContact O-CG 3.27Å; Q555-L559 PolarHBondContact O-N 3.4Å; L556-L559 PolarHBondContact O-N 2.99Å; N557-L559 VanDerWaalsContact C-N 3.33Å; N557-L559 PolarHBondContact O-N 3.03Å; L559-N561 VanDerWaalsContact C-N 3.34Å; L559-N561 PolarHBondContact O-N 3.37Å; L559-K562 PolarHBondContact O-N 2.75Å; L559-V563 WeakPolarHBondContact O-CG2 3.4Å; L559-V563 PolarHBondContact O-N 3.08Å |
| 560 | R | 89.4 | Confident | 87.5 | Confident | 153 Ų | 153 | 100.4 Ų | 100.4 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.7 | -47 | 173 | -76.6 | 175.4 | 175.6 | 179.9 | -1.3 | 111.6 | L556 N557 K562 V563 I564 | L556-R560 WeakPolarHBondContact O-CG 3.3Å; L556-R560 PolarHBondContact O-N 3.2Å; N557-R560 PolarHBondContact O-N 2.96Å; R560-K562 VanDerWaalsContact C-N 3.33Å; R560-K562 PolarHBondContact O-N 2.97Å; R560-V563 PolarHBondContact O-N 3.33Å; R560-I564 WeakPolarHBondContact O-CG1 3.47Å; R560-I564 PolarHBondContact O-N 3.28Å |
| 561 | N | 89.9 | Confident | 87.4 | Confident | 85 Ų | 85 | 97.1 Ų | 97.1 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.8 | -70.7 | -31 | 0 | 0 | 0 | 112.3 | N557 D558 L559 A565 | N557-N561 VanDerWaalsContact O-CG 3.28Å; N557-N561 PolarHBondContact O-N 3.3Å; N557-N561 PolarHBondContact O-ND2 2.89Å; D558-N561 PolarHBondContact O-N 3.07Å; L559-N561 VanDerWaalsContact C-N 3.34Å; L559-N561 PolarHBondContact O-N 3.37Å; N561-A565 WeakPolarHBondContact O-CB 3.39Å; N561-A565 PolarHBondContact O-N 2.88Å |
| 562 | K | 89.7 | Confident | 87.3 | Confident | 126 Ų | 126 | 97.6 Ų | 97.6 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 175.1 | -73.7 | 164.5 | -175.7 | 165.8 | 0 | 113.1 | D558 L559 R560 K566 | D558-K562 WeakPolarHBondContact O-CB 3.45Å; D558-K562 WeakPolarHBondContact O-CD 3.44Å; D558-K562 VanDerWaalsContact O-CG 3.26Å; D558-K562 WeakPolarHBondContact O-CG 3.12Å; D558-K562 PolarHBondContact O-N 3.46Å; L559-K562 PolarHBondContact O-N 2.75Å; R560-K562 VanDerWaalsContact C-N 3.33Å; R560-K562 PolarHBondContact O-N 2.97Å; K562-K566 WeakPolarHBondContact O-CG 3.47Å; K562-K566 PolarHBondContact O-N 3.08Å |
| 563 | V | 87.6 | Confident | 86.8 | Confident | 81 Ų | 81 | 97.4 Ų | 97.4 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.4 | -51.5 | 174.2 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | L559 R560 A565 K566 D567 | L559-V563 WeakPolarHBondContact O-CG2 3.4Å; L559-V563 PolarHBondContact O-N 3.08Å; R560-V563 PolarHBondContact O-N 3.33Å; V563-A565 PolarHBondContact O-N 3.49Å; V563-K566 CarbonylContact O-C 3.57Å; V563-K566 WeakPolarHBondContact O-CA 3.48Å; V563-K566 WeakPolarHBondContact O-CB 3.4Å; V563-K566 PolarHBondContact O-N 2.98Å; V563-D567 PolarHBondContact O-N 3.11Å |
| 564 | I | 86.8 | Confident | 86.5 | Confident | 86 Ų | 86 | 95.9 Ų | 95.9 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56 | -39.6 | 177.5 | -66.6 | 163.8 | 0 | 0 | 0 | 111.7 | R560 K568 | R560-I564 WeakPolarHBondContact O-CG1 3.47Å; R560-I564 PolarHBondContact O-N 3.28Å; I564-K568 WeakPolarHBondContact O-CG 3.4Å; I564-K568 PolarHBondContact O-N 3.37Å; I564-K568 VanDerWaalsContact O-N 3.16Å |
| 565 | A | 87.2 | Confident | 86.2 | Confident | 60 Ų | 60 | 99.2 Ų | 99.2 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N561 V563 M569 | N561-A565 WeakPolarHBondContact O-CB 3.39Å; N561-A565 PolarHBondContact O-N 2.88Å; V563-A565 PolarHBondContact O-N 3.49Å; A565-M569 PolarHBondContact O-N 3.01Å |
| 566 | K | 85.5 | Confident | 85.6 | Confident | 117 Ų | 117 | 103.7 Ų | 103.7 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.1 | -39.3 | 176.2 | -76 | -177.3 | 175.6 | -170.7 | 0 | 112.7 | K562 V563 K568 M569 I570 | K562-K566 WeakPolarHBondContact O-CG 3.47Å; K562-K566 PolarHBondContact O-N 3.08Å; V563-K566 CarbonylContact O-C 3.57Å; V563-K566 WeakPolarHBondContact O-CA 3.48Å; V563-K566 WeakPolarHBondContact O-CB 3.4Å; V563-K566 PolarHBondContact O-N 2.98Å; K566-K568 VanDerWaalsContact C-N 3.32Å; K566-K568 PolarHBondContact O-N 3.18Å; K566-M569 CarbonylContact O-C 3.6Å; K566-M569 WeakPolarHBondContact O-CB 3.32Å; K566-M569 PolarHBondContact O-N 3.5Å; K566-M569 VanDerWaalsContact O-N 3.11Å; K566-I570 WeakPolarHBondContact O-CG1 3.44Å; K566-I570 PolarHBondContact O-N 3.1Å |
| 567 | D | 87.9 | Confident | 84.9 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.4 | -66.7 | -24.8 | 0 | 0 | 0 | 111 | V563 M569 I570 V571 | V563-D567 PolarHBondContact O-N 3.11Å; D567-M569 VanDerWaalsContact C-N 3.33Å; D567-M569 PolarHBondContact O-N 2.91Å; D567-I570 PolarHBondContact O-N 3.28Å; D567-V571 WeakPolarHBondContact O-CG2 3.27Å; D567-V571 PolarHBondContact O-N 3.29Å |
| 568 | K | 88.2 | Confident | 84.2 | Confident | 141 Ų | 141 | 104.5 Ų | 104.5 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.3 | -45.1 | 171.3 | -72.9 | 175.5 | -179.5 | -177.6 | 0 | 112.2 | I564 K566 I570 V571 E572 | I564-K568 WeakPolarHBondContact O-CG 3.4Å; I564-K568 PolarHBondContact O-N 3.37Å; I564-K568 VanDerWaalsContact O-N 3.16Å; K566-K568 VanDerWaalsContact C-N 3.32Å; K566-K568 PolarHBondContact O-N 3.18Å; K568-I570 PolarHBondContact O-N 3Å; K568-V571 PolarHBondContact O-N 2.85Å; K568-E572 PolarHBondContact O-N 3.2Å |
| 569 | M | 87.4 | Confident | 83.3 | Confident | 118 Ų | 118 | 104.3 Ų | 104.3 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -37.3 | 177.4 | -169.8 | -177.4 | -176.3 | 0 | 0 | 112.4 | A565 K566 D567 E572 L573 | A565-M569 PolarHBondContact O-N 3.01Å; K566-M569 CarbonylContact O-C 3.6Å; K566-M569 WeakPolarHBondContact O-CB 3.32Å; K566-M569 PolarHBondContact O-N 3.5Å; K566-M569 VanDerWaalsContact O-N 3.11Å; D567-M569 VanDerWaalsContact C-N 3.33Å; D567-M569 PolarHBondContact O-N 2.91Å; M569-E572 PolarHBondContact O-N 3.04Å; M569-L573 HydrophobicContact CG-CD1 4.36Å; M569-L573 WeakPolarHBondContact O-CB 3.49Å; M569-L573 VanDerWaalsContact O-CG 3.29Å; M569-L573 WeakPolarHBondContact O-CG 3.5Å; M569-L573 PolarHBondContact O-N 2.87Å |
| 570 | I | 84 | Confident | 82.3 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 55% | 0.549 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 174.6 | -69.6 | 165.6 | 0 | 0 | 0 | 110.5 | K566 D567 K568 L573 G574 | K566-I570 WeakPolarHBondContact O-CG1 3.44Å; K566-I570 PolarHBondContact O-N 3.1Å; D567-I570 PolarHBondContact O-N 3.28Å; K568-I570 PolarHBondContact O-N 3Å; I570-L573 PolarHBondContact O-N 3.39Å; I570-G574 PolarHBondContact O-N 2.81Å |
| 571 | V | 84.4 | Confident | 81 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.2 | 171 | 0 | 0 | 0 | 0 | 111.8 | D567 K568 G574 K575 | D567-V571 WeakPolarHBondContact O-CG2 3.27Å; D567-V571 PolarHBondContact O-N 3.29Å; K568-V571 PolarHBondContact O-N 2.85Å; V571-G574 PolarHBondContact O-N 2.92Å; V571-K575 HydrophobicContact CG1-CD 4.47Å; V571-K575 WeakPolarHBondContact O-CG 3.35Å; V571-K575 PolarHBondContact O-N 3.46Å; V571-K575 VanDerWaalsContact O-N 3.09Å |
| 572 | E | 83.9 | Confident | 79.4 | Confident | 141 Ų | 141 | 106.2 Ų | 106.2 | 66% | 0.659 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -41.1 | 174.1 | -74.8 | -175.5 | 174.1 | 0 | 0 | 112.6 | K568 M569 R576 | K568-E572 PolarHBondContact O-N 3.2Å; M569-E572 PolarHBondContact O-N 3.04Å; E572-R576 WeakPolarHBondContact O-CB 3.47Å; E572-R576 PolarHBondContact O-N 3.03Å |
| 573 | L | 76.1 | Confident | 77.6 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 174.9 | -73.7 | 169.1 | 0 | 0 | 0 | 111.8 | M569 I570 R576 C577 | M569-L573 HydrophobicContact CG-CD1 4.36Å; M569-L573 WeakPolarHBondContact O-CB 3.49Å; M569-L573 VanDerWaalsContact O-CG 3.29Å; M569-L573 WeakPolarHBondContact O-CG 3.5Å; M569-L573 PolarHBondContact O-N 2.87Å; I570-L573 PolarHBondContact O-N 3.39Å; L573-R576 WeakPolarHBondContact O-CB 3.5Å; L573-R576 PolarHBondContact O-N 3.31Å; L573-C577 PolarHBondContact O-N 2.84Å; L573-C577 PolarHBondContact O-SG 3.2Å; L573-C577 VanDerWaalsContact O-SG 3.38Å |
| 574 | G | 80.8 | Confident | 75.3 | Confident | 33 Ų | 33 | 106.9 Ų | 106.9 | 34% | 0.34 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -56.9 | -53.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I570 V571 R576 C577 E578 | I570-G574 PolarHBondContact O-N 2.81Å; V571-G574 PolarHBondContact O-N 2.92Å; G574-R576 PolarHBondContact O-N 3.14Å; G574-C577 WeakPolarHBondContact O-CB 3.35Å; G574-C577 PolarHBondContact O-N 3.07Å; G574-E578 PolarHBondContact O-N 3.44Å |
| 575 | K | 81.5 | Confident | 73.2 | Confident | 137 Ų | 137 | 108 Ų | 108 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57.3 | -35.5 | 175.3 | -71.7 | 176.3 | 179 | -177 | 0 | 113.1 | V571 S579 | V571-K575 HydrophobicContact CG1-CD 4.47Å; V571-K575 WeakPolarHBondContact O-CG 3.35Å; V571-K575 PolarHBondContact O-N 3.46Å; V571-K575 VanDerWaalsContact O-N 3.09Å; K575-S579 WeakPolarHBondContact O-CB 3.22Å; K575-S579 PolarHBondContact O-N 2.99Å |
| 576 | R | 76.9 | Confident | 70.9 | Confident | 179 Ų | 179 | 113 Ų | 113 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.5 | -36.5 | 177.5 | -164.4 | 173.6 | -174.1 | 172.2 | 1.4 | 111.9 | E572 L573 G574 I580 | E572-R576 WeakPolarHBondContact O-CB 3.47Å; E572-R576 PolarHBondContact O-N 3.03Å; L573-R576 WeakPolarHBondContact O-CB 3.5Å; L573-R576 PolarHBondContact O-N 3.31Å; G574-R576 PolarHBondContact O-N 3.14Å; R576-I580 WeakPolarHBondContact O-CD1 3.42Å; R576-I580 VanDerWaalsContact O-CG1 3.27Å; R576-I580 WeakPolarHBondContact O-CG1 3.25Å; R576-I580 PolarHBondContact O-N 3.25Å |
| 577 | C | 70.7 | Confident | 68.6 | Low | 75 Ų | 75 | 116.9 Ų | 116.9 | 51% | 0.507 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.4 | -44.7 | 172.4 | -67.9 | 0 | 0 | 0 | 0 | 112 | L573 G574 S579 I580 L581 | L573-C577 PolarHBondContact O-N 2.84Å; L573-C577 PolarHBondContact O-SG 3.2Å; L573-C577 VanDerWaalsContact O-SG 3.38Å; G574-C577 WeakPolarHBondContact O-CB 3.35Å; G574-C577 PolarHBondContact O-N 3.07Å; C577-S579 VanDerWaalsContact C-N 3.34Å; C577-S579 PolarHBondContact O-N 3.28Å; C577-I580 PolarHBondContact O-N 3.49Å; C577-I580 VanDerWaalsContact O-N 3.08Å; C577-L581 PolarHBondContact O-N 3.49Å |
| 578 | E | 72.7 | Confident | 66.2 | Low | 119 Ų | 119 | 117 Ų | 117 | 56% | 0.556 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.3 | -47.7 | 173.5 | -71.4 | 171.7 | 162 | 0 | 0 | 111 | G574 I580 L581 D582 | G574-E578 PolarHBondContact O-N 3.44Å; E578-I580 PolarHBondContact O-N 3.37Å; E578-L581 PolarHBondContact O-N 3.41Å; E578-L581 VanDerWaalsContact O-N 3.1Å; E578-D582 PolarHBondContact O-N 2.89Å |
| 579 | S | 70.6 | Confident | 63.7 | Low | 76 Ų | 76 | 117.4 Ų | 117.4 | 53% | 0.531 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.7 | -27.7 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 114.1 | K575 C577 S583 | K575-S579 WeakPolarHBondContact O-CB 3.22Å; K575-S579 PolarHBondContact O-N 2.99Å; C577-S579 VanDerWaalsContact C-N 3.34Å; C577-S579 PolarHBondContact O-N 3.28Å; S579-S583 VanDerWaalsContact O-CB 3.25Å; S579-S583 WeakPolarHBondContact O-CB 3.5Å; S579-S583 PolarHBondContact O-N 3.36Å; S579-S583 PolarHBondContact O-OG 3.34Å |
| 580 | I | 68.2 | Low | 60.9 | Low | 99 Ų | 99 | 120.4 Ų | 120.4 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -77.6 | -37.3 | 176 | -70.7 | 163.2 | 0 | 0 | 0 | 110.5 | R576 C577 E578 S583 | R576-I580 WeakPolarHBondContact O-CD1 3.42Å; R576-I580 VanDerWaalsContact O-CG1 3.27Å; R576-I580 WeakPolarHBondContact O-CG1 3.25Å; R576-I580 PolarHBondContact O-N 3.25Å; C577-I580 PolarHBondContact O-N 3.49Å; C577-I580 VanDerWaalsContact O-N 3.08Å; E578-I580 PolarHBondContact O-N 3.37Å; I580-S583 WeakPolarHBondContact CA-OG 3.45Å; I580-S583 PolarHBondContact O-OG 3.06Å |
| 581 | L | 61.5 | Low | 58.4 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.8 | -47.7 | 175.4 | -69.8 | 165.2 | 0 | 0 | 0 | 111.5 | C577 E578 S583 H584 | C577-L581 PolarHBondContact O-N 3.49Å; E578-L581 PolarHBondContact O-N 3.41Å; E578-L581 VanDerWaalsContact O-N 3.1Å; L581-S583 VanDerWaalsContact C-N 3.27Å; L581-S583 PolarHBondContact O-N 3.32Å; L581-H584 PolarHBondContact O-N 3.04Å |
| 582 | D | 57.1 | Low | 55.9 | Low | 145 Ų | 145 | 125.5 Ų | 125.5 | 78% | 0.775 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68 | -23.6 | 178.6 | -78.9 | -15.3 | 0 | 0 | 0 | 113.4 | E578 H584 | E578-D582 PolarHBondContact O-N 2.89Å; D582-H584 VanDerWaalsContact C-N 3.33Å |
| 583 | S | 51.2 | Low | 53.3 | Low | 75 Ų | 75 | 125.5 Ų | 125.5 | 52% | 0.524 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | 2.1 | 176.9 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | S579 I580 L581 P585 | S579-S583 VanDerWaalsContact O-CB 3.25Å; S579-S583 WeakPolarHBondContact O-CB 3.5Å; S579-S583 PolarHBondContact O-N 3.36Å; S579-S583 PolarHBondContact O-OG 3.34Å; I580-S583 WeakPolarHBondContact CA-OG 3.45Å; I580-S583 PolarHBondContact O-OG 3.06Å; L581-S583 VanDerWaalsContact C-N 3.27Å; L581-S583 PolarHBondContact O-N 3.32Å; S583-P585 WeakPolarHBondContact O-CD 3.38Å |
| 584 | H | 39.3 | Very low | 51 | Low | 146 Ų | 146 | 126.9 Ų | 126.9 | 68% | 0.676 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -96.9 | 93.9 | 164 | -88.4 | 62.5 | 0 | 0 | 0 | 110.4 | L581 D582 N586 | L581-H584 PolarHBondContact O-N 3.04Å; D582-H584 VanDerWaalsContact C-N 3.33Å; H584-N586 PolarHBondContact O-N 3.43Å |
| 585 | P | 42.5 | Very low | 48.5 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | trans | -65.7 | 101.1 | 175.5 | 27.8 | -34.6 | 0 | 0 | 0 | 109.3 | S583 K587 | S583-P585 WeakPolarHBondContact O-CD 3.38Å; P585-K587 PolarHBondContact O-N 2.94Å | ||
| 586 | N | 38.6 | Very low | 46 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | trans | -73.6 | 73.2 | -179.1 | -150.5 | -0.2 | 0 | 0 | 0 | 110.1 | H584 | H584-N586 PolarHBondContact O-N 3.43Š| ||
| 587 | K | 37.3 | Very low | 43.7 | Very low | 198 Ų | 198 | 128.4 Ų | 128.4 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -117.9 | 75.3 | 177.4 | -84 | -166.9 | 175.1 | -176.9 | 0 | 110.5 | P585 | P585-K587 PolarHBondContact O-N 2.94Š| ||
| 588 | A | 38.3 | Very low | 41.9 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -152.3 | 88.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 589 | N | 34.9 | Very low | 40.2 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -61.9 | 136.2 | 160.5 | -75.2 | -7.3 | 0 | 0 | 0 | 108.5 | ||||
| 590 | E | 29.3 | Very low | 38.6 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 21.4 | 107 | 139.3 | -56.6 | 179.9 | 146 | 0 | 0 | 117.7 | ||||
| 591 | E | 31.5 | Very low | 37.5 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -162.3 | 121.1 | 130.7 | -115.9 | 177.2 | -150.4 | 0 | 0 | 111.6 | ||||
| 592 | P | 31 | Very low | 36.8 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -104.1 | 108.9 | -179.1 | 35.1 | -28.6 | 0 | 0 | 0 | 112.8 | ||||
| 593 | I | 30.4 | Very low | 36.3 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | trans | -131.9 | 97.9 | 175 | -58 | -175.9 | 0 | 0 | 0 | 112.5 | ||||
| 594 | V | 27.8 | Very low | 35.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | 48.6 | 115.9 | 123.4 | -176.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 595 | N | 26.8 | Very low | 36.2 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | trans | 30.3 | 113 | 142.8 | -59.5 | -23.7 | 0 | 0 | 0 | 120 | ||||
| 596 | G | 28.8 | Very low | 36.4 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -154.5 | 108.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 597 | D | 28.7 | Very low | 36.9 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 146.1 | -177.5 | -128.2 | -4.6 | 0 | 0 | 0 | 113.1 | ||||
| 598 | K | 32.9 | Very low | 37.3 | Very low | 183 Ų | 183 | 127.3 Ų | 127.3 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | 61.9 | 95.2 | 156.7 | -59.8 | 159.2 | -174.4 | 153.2 | 0 | 119.3 | ||||
| 599 | A | 37.2 | Very low | 38 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | -175 | 109.9 | 120.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | C601 | A599-C601 PolarHBondContact O-N 3.06Å; A599-C601 VanDerWaalsContact O-N 3.12Å | |||
| 600 | V | 37.8 | Very low | 38.8 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | trans | -72.6 | 107.3 | 179 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 601 | C | 44.9 | Very low | 39.9 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 51% | 0.507 | 66% | 0.659 | S | S | . | * | trans | -76.3 | 126.7 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | A599 R603 C604 | A599-C601 PolarHBondContact O-N 3.06Å; A599-C601 VanDerWaalsContact O-N 3.12Å; C601-R603 PolarHBondContact O-N 3.5Å; C601-R603 VanDerWaalsContact O-N 3.09Å; C601-C604 WeakPolarHBondContact O-CB 3.5Å; C601-C604 PolarHBondContact O-N 2.91Å | ||
| 602 | S | 46.8 | Very low | 40.9 | Very low | 97 Ų | 97 | 115.3 Ų | 115.3 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -55.1 | -33 | -175.2 | -43 | 0 | 0 | 0 | 0 | 113.4 | C604 Q605 E606 | S602-C604 VanDerWaalsContact C-N 3.28Å; S602-C604 PolarHBondContact O-N 3.23Å; S602-Q605 PolarHBondContact O-N 3.24Å; S602-E606 PolarHBondContact O-N 2.81Å |
| 603 | R | 46.3 | Very low | 42.1 | Very low | 188 Ų | 188 | 114.4 Ų | 114.4 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.4 | -25.1 | 178.5 | -164.9 | 171.5 | -179.2 | 171.1 | -0.2 | 113.2 | C601 H607 | C601-R603 PolarHBondContact O-N 3.5Å; C601-R603 VanDerWaalsContact O-N 3.09Å; R603-H607 PolarHBondContact O-CD2 2.78Å; R603-H607 PolarHBondContact O-N 3.07Å |
| 604 | C | 42.5 | Very low | 43.5 | Very low | 70 Ų | 70 | 113.5 Ų | 113.5 | 47% | 0.473 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.6 | -27.3 | 174 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | C601 S602 H607 L608 | C601-C604 WeakPolarHBondContact O-CB 3.5Å; C601-C604 PolarHBondContact O-N 2.91Å; S602-C604 VanDerWaalsContact C-N 3.28Å; S602-C604 PolarHBondContact O-N 3.23Å; C604-H607 PolarHBondContact O-N 3.4Å; C604-L608 WeakPolarHBondContact O-CG 3.29Å; C604-L608 PolarHBondContact O-N 2.92Å |
| 605 | Q | 45.5 | Very low | 45.1 | Very low | 123 Ų | 123 | 113.8 Ų | 113.8 | 58% | 0.575 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.2 | -34.6 | 178.9 | -167 | 170.5 | 3.3 | 0 | 0 | 112.1 | S602 S609 | S602-Q605 PolarHBondContact O-N 3.24Å; Q605-S609 WeakPolarHBondContact O-CB 3.31Å; Q605-S609 PolarHBondContact O-N 2.85Å; Q605-S609 PolarHBondContact O-OG 3.01Å |
| 606 | E | 47.9 | Very low | 47 | Very low | 144 Ų | 144 | 109.3 Ų | 109.3 | 67% | 0.673 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.8 | -43.1 | 168.3 | -72.6 | -175.9 | 149.2 | 0 | 0 | 111.5 | S602 S609 T610 | S602-E606 PolarHBondContact O-N 2.81Å; E606-S609 WeakPolarHBondContact O-CB 3.46Å; E606-S609 PolarHBondContact O-N 3.22Å; E606-T610 PolarHBondContact O-N 2.95Å; E606-T610 PolarHBondContact O-OG1 3.11Å |
| 607 | H | 48.1 | Very low | 49 | Very low | 112 Ų | 112 | 110.1 Ų | 110.1 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.1 | -44.6 | 177.7 | -89.1 | -69.8 | 0 | 0 | 0 | 113.2 | R603 C604 S609 T610 E611 | R603-H607 PolarHBondContact O-CD2 2.78Å; R603-H607 PolarHBondContact O-N 3.07Å; C604-H607 PolarHBondContact O-N 3.4Å; H607-S609 VanDerWaalsContact C-N 3.31Å; H607-S609 PolarHBondContact O-N 3.48Å; H607-T610 WeakPolarHBondContact CA-OG1 3.39Å; H607-T610 PolarHBondContact O-N 2.99Å; H607-T610 VanDerWaalsContact O-N 3.12Å; H607-T610 PolarHBondContact O-OG1 3.42Å; H607-E611 PolarHBondContact O-N 3.47Å |
| 608 | L | 46.4 | Very low | 51 | Low | 101 Ų | 101 | 109.3 Ų | 109.3 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.5 | -39.3 | 173.2 | -71.7 | 167.9 | 0 | 0 | 0 | 111.9 | C604 T610 E611 D612 | C604-L608 WeakPolarHBondContact O-CG 3.29Å; C604-L608 PolarHBondContact O-N 2.92Å; L608-T610 VanDerWaalsContact C-N 3.27Å; L608-T610 PolarHBondContact O-N 2.96Å; L608-E611 PolarHBondContact O-N 3.03Å; L608-D612 PolarHBondContact O-N 3.4Å |
| 609 | S | 52.4 | Low | 53 | Low | 62 Ų | 62 | 106.4 Ų | 106.4 | 43% | 0.434 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.5 | -28.1 | 175.7 | -55 | 0 | 0 | 0 | 0 | 112.9 | Q605 E606 H607 N613 | Q605-S609 WeakPolarHBondContact O-CB 3.31Å; Q605-S609 PolarHBondContact O-N 2.85Å; Q605-S609 PolarHBondContact O-OG 3.01Å; E606-S609 WeakPolarHBondContact O-CB 3.46Å; E606-S609 PolarHBondContact O-N 3.22Å; H607-S609 VanDerWaalsContact C-N 3.31Å; H607-S609 PolarHBondContact O-N 3.48Å; S609-N613 PolarHBondContact O-N 2.84Å; S609-N613 PolarHBondContact O-ND2 3.04Å |
| 610 | T | 52.1 | Low | 54.9 | Low | 67 Ų | 67 | 106.2 Ų | 106.2 | 41% | 0.411 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -79.5 | -34.9 | 171.1 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | E606 H607 L608 N613 Q614 | E606-T610 PolarHBondContact O-N 2.95Å; E606-T610 PolarHBondContact O-OG1 3.11Å; H607-T610 WeakPolarHBondContact CA-OG1 3.39Å; H607-T610 PolarHBondContact O-N 2.99Å; H607-T610 VanDerWaalsContact O-N 3.12Å; H607-T610 PolarHBondContact O-OG1 3.42Å; L608-T610 VanDerWaalsContact C-N 3.27Å; L608-T610 PolarHBondContact O-N 2.96Å; T610-N613 PolarHBondContact O-N 2.93Å; T610-Q614 WeakPolarHBondContact O-CB 3.27Å; T610-Q614 VanDerWaalsContact O-CG 3.3Å; T610-Q614 WeakPolarHBondContact O-CG 3.45Å; T610-Q614 PolarHBondContact O-N 3.39Å |
| 611 | E | 50.9 | Low | 57 | Low | 100 Ų | 100 | 104.8 Ų | 104.8 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 176 | -75.9 | 178.8 | 166.7 | 0 | 0 | 111.5 | H607 L608 N613 Q614 Q615 | H607-E611 PolarHBondContact O-N 3.47Å; L608-E611 PolarHBondContact O-N 3.03Å; E611-N613 VanDerWaalsContact C-N 3.31Å; E611-N613 PolarHBondContact O-N 3.38Å; E611-Q614 PolarHBondContact O-N 2.89Å; E611-Q614 VanDerWaalsContact O-N 3.14Å; E611-Q615 WeakPolarHBondContact O-CB 3.44Å; E611-Q615 WeakPolarHBondContact O-CG 3.44Å; E611-Q615 PolarHBondContact O-N 3.43Å |
| 612 | D | 54.6 | Low | 58.4 | Low | 112 Ų | 112 | 105.3 Ų | 105.3 | 60% | 0.599 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.9 | -40.8 | 174 | -82 | -21 | 0 | 0 | 0 | 111.6 | L608 S616 | L608-D612 PolarHBondContact O-N 3.4Å; D612-S616 WeakPolarHBondContact O-CB 3.37Å; D612-S616 PolarHBondContact O-N 3.4Å |
| 613 | N | 56 | Low | 60 | Low | 104 Ų | 104 | 103.5 Ų | 103.5 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.7 | -34.6 | 174.8 | -91 | -51.2 | 0 | 0 | 0 | 112.9 | S609 T610 E611 N617 | S609-N613 PolarHBondContact O-N 2.84Å; S609-N613 PolarHBondContact O-ND2 3.04Å; T610-N613 PolarHBondContact O-N 2.93Å; E611-N613 VanDerWaalsContact C-N 3.31Å; E611-N613 PolarHBondContact O-N 3.38Å; N613-N617 PolarHBondContact O-N 3.44Å; N613-N617 VanDerWaalsContact O-N 3.09Å; N613-N617 PolarHBondContact O-ND2 3.31Å |
| 614 | Q | 59.4 | Low | 61.7 | Low | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.2 | -48.6 | 174.6 | -80.1 | 176 | -13.4 | 0 | 0 | 110.5 | T610 E611 S616 N617 E618 | T610-Q614 WeakPolarHBondContact O-CB 3.27Å; T610-Q614 VanDerWaalsContact O-CG 3.3Å; T610-Q614 WeakPolarHBondContact O-CG 3.45Å; T610-Q614 PolarHBondContact O-N 3.39Å; E611-Q614 PolarHBondContact O-N 2.89Å; E611-Q614 VanDerWaalsContact O-N 3.14Å; Q614-S616 VanDerWaalsContact C-N 3.33Å; Q614-S616 PolarHBondContact O-N 3.14Å; Q614-N617 PolarHBondContact O-N 3.39Å; Q614-N617 VanDerWaalsContact O-N 3.14Å; Q614-E618 WeakPolarHBondContact O-CG 3.26Å; Q614-E618 PolarHBondContact O-N 3Å |
| 615 | Q | 60.2 | Low | 63.7 | Low | 123 Ų | 123 | 101.3 Ų | 101.3 | 58% | 0.575 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.8 | -42 | 174.9 | -72.8 | -171.8 | 7.6 | 0 | 0 | 112 | E611 N617 E618 L619 | E611-Q615 WeakPolarHBondContact O-CB 3.44Å; E611-Q615 WeakPolarHBondContact O-CG 3.44Å; E611-Q615 PolarHBondContact O-N 3.43Å; Q615-N617 PolarHBondContact O-N 3.1Å; Q615-E618 PolarHBondContact O-N 3.06Å; Q615-L619 WeakPolarHBondContact O-CB 3.27Å; Q615-L619 PolarHBondContact O-N 3.14Å |
| 616 | S | 67.2 | Low | 65.5 | Low | 71 Ų | 71 | 102.4 Ų | 102.4 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.4 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | D612 Q614 L619 D620 | D612-S616 WeakPolarHBondContact O-CB 3.37Å; D612-S616 PolarHBondContact O-N 3.4Å; Q614-S616 VanDerWaalsContact C-N 3.33Å; Q614-S616 PolarHBondContact O-N 3.14Å; S616-L619 PolarHBondContact O-N 3.45Å; S616-D620 PolarHBondContact O-N 3.1Å |
| 617 | N | 70.8 | Confident | 67.2 | Low | 97 Ų | 97 | 98.5 Ų | 98.5 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | 176.5 | -80.5 | -61.3 | 0 | 0 | 0 | 112 | N613 Q614 Q615 D620 I621 | N613-N617 PolarHBondContact O-N 3.44Å; N613-N617 VanDerWaalsContact O-N 3.09Å; N613-N617 PolarHBondContact O-ND2 3.31Å; Q614-N617 PolarHBondContact O-N 3.39Å; Q614-N617 VanDerWaalsContact O-N 3.14Å; Q615-N617 PolarHBondContact O-N 3.1Å; N617-D620 PolarHBondContact O-N 2.83Å; N617-I621 WeakPolarHBondContact O-CD1 3.41Å; N617-I621 VanDerWaalsContact O-CG1 3.25Å; N617-I621 WeakPolarHBondContact O-CG1 3.29Å; N617-I621 PolarHBondContact O-N 3.33Å |
| 618 | E | 72 | Confident | 69 | Low | 120 Ų | 120 | 99.4 Ų | 99.4 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 175.3 | -73.6 | -177 | 168.3 | 0 | 0 | 111.8 | Q614 Q615 D620 I621 I622 | Q614-E618 WeakPolarHBondContact O-CG 3.26Å; Q614-E618 PolarHBondContact O-N 3Å; Q615-E618 PolarHBondContact O-N 3.06Å; E618-D620 VanDerWaalsContact C-N 3.33Å; E618-D620 PolarHBondContact O-N 2.87Å; E618-I621 PolarHBondContact O-N 3.26Å; E618-I622 WeakPolarHBondContact O-CB 3.38Å; E618-I622 WeakPolarHBondContact O-CD1 3.5Å; E618-I622 VanDerWaalsContact O-CG1 3.22Å; E618-I622 WeakPolarHBondContact O-CG1 3.3Å; E618-I622 PolarHBondContact O-N 3.27Å |
| 619 | L | 74.8 | Confident | 70.7 | Confident | 123 Ų | 123 | 99.6 Ų | 99.6 | 64% | 0.644 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -39.5 | 177 | -136.2 | 106 | 0 | 0 | 0 | 112 | Q615 S616 S623 | Q615-L619 WeakPolarHBondContact O-CB 3.27Å; Q615-L619 PolarHBondContact O-N 3.14Å; S616-L619 PolarHBondContact O-N 3.45Å; L619-S623 WeakPolarHBondContact O-CB 3.44Å; L619-S623 PolarHBondContact O-N 3.12Å; L619-S623 PolarHBondContact O-OG 3.42Å |
| 620 | D | 76.8 | Confident | 72.4 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 174.8 | -106.3 | 1.6 | 0 | 0 | 0 | 111.8 | S616 N617 E618 S623 Q624 | S616-D620 PolarHBondContact O-N 3.1Å; N617-D620 PolarHBondContact O-N 2.83Å; E618-D620 VanDerWaalsContact C-N 3.33Å; E618-D620 PolarHBondContact O-N 2.87Å; D620-S623 PolarHBondContact O-N 3.5Å; D620-Q624 WeakPolarHBondContact O-CG 3.34Å; D620-Q624 PolarHBondContact O-N 3.42Å |
| 621 | I | 80.5 | Confident | 74.1 | Confident | 94 Ų | 94 | 100 Ų | 100 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.2 | -70.1 | 164.3 | 0 | 0 | 0 | 110.6 | N617 E618 S623 Q624 L625 | N617-I621 WeakPolarHBondContact O-CD1 3.41Å; N617-I621 VanDerWaalsContact O-CG1 3.25Å; N617-I621 WeakPolarHBondContact O-CG1 3.29Å; N617-I621 PolarHBondContact O-N 3.33Å; E618-I621 PolarHBondContact O-N 3.26Å; I621-S623 VanDerWaalsContact C-N 3.3Å; I621-S623 PolarHBondContact O-N 3.19Å; I621-Q624 PolarHBondContact O-N 3.06Å; I621-L625 HydrophobicContact CG2-CD1 3.95Å; I621-L625 HydrophobicContact CG2-CG 4.42Å; I621-L625 WeakPolarHBondContact O-CB 3.49Å; I621-L625 VanDerWaalsContact O-CG 3.3Å; I621-L625 WeakPolarHBondContact O-CG 3.48Å; I621-L625 PolarHBondContact O-N 3.35Å |
| 622 | I | 75.6 | Confident | 75.7 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 44% | 0.436 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 176 | -70.9 | 165.3 | 0 | 0 | 0 | 110.7 | E618 L625 K626 | E618-I622 WeakPolarHBondContact O-CB 3.38Å; E618-I622 WeakPolarHBondContact O-CD1 3.5Å; E618-I622 VanDerWaalsContact O-CG1 3.22Å; E618-I622 WeakPolarHBondContact O-CG1 3.3Å; E618-I622 PolarHBondContact O-N 3.27Å; I622-L625 PolarHBondContact O-N 3.05Å; I622-K626 HydrophobicContact CG2-CD 4.35Å; I622-K626 WeakPolarHBondContact O-CG 3.37Å; I622-K626 PolarHBondContact O-N 2.86Å |
| 623 | S | 80.7 | Confident | 77.1 | Confident | 60 Ų | 60 | 99.9 Ų | 99.9 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 177.8 | -61.1 | 0 | 0 | 0 | 0 | 112 | L619 D620 I621 L625 K626 A627 | L619-S623 WeakPolarHBondContact O-CB 3.44Å; L619-S623 PolarHBondContact O-N 3.12Å; L619-S623 PolarHBondContact O-OG 3.42Å; D620-S623 PolarHBondContact O-N 3.5Å; I621-S623 VanDerWaalsContact C-N 3.3Å; I621-S623 PolarHBondContact O-N 3.19Å; S623-L625 PolarHBondContact O-N 3.31Å; S623-K626 PolarHBondContact O-N 3.02Å; S623-A627 PolarHBondContact O-N 3.5Å |
| 624 | Q | 82.5 | Confident | 78.6 | Confident | 110 Ų | 110 | 98.7 Ų | 98.7 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 173.1 | -71.2 | 179.9 | 37.9 | 0 | 0 | 112.6 | D620 I621 A627 K628 | D620-Q624 WeakPolarHBondContact O-CG 3.34Å; D620-Q624 PolarHBondContact O-N 3.42Å; I621-Q624 PolarHBondContact O-N 3.06Å; Q624-A627 PolarHBondContact O-N 2.97Å; Q624-K628 WeakPolarHBondContact O-CB 3.28Å; Q624-K628 WeakPolarHBondContact O-CG 3.49Å; Q624-K628 PolarHBondContact O-N 3.22Å |
| 625 | L | 82.5 | Confident | 80 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 176.2 | -74.4 | 171.4 | 0 | 0 | 0 | 111.3 | I621 I622 S623 A627 K628 L629 | I621-L625 HydrophobicContact CG2-CD1 3.95Å; I621-L625 HydrophobicContact CG2-CG 4.42Å; I621-L625 WeakPolarHBondContact O-CB 3.49Å; I621-L625 VanDerWaalsContact O-CG 3.3Å; I621-L625 WeakPolarHBondContact O-CG 3.48Å; I621-L625 PolarHBondContact O-N 3.35Å; I622-L625 PolarHBondContact O-N 3.05Å; S623-L625 PolarHBondContact O-N 3.31Å; L625-A627 PolarHBondContact O-N 3.5Å; L625-K628 PolarHBondContact O-N 2.98Å; L625-L629 WeakPolarHBondContact O-CB 3.38Å; L625-L629 PolarHBondContact O-N 3.39Å |
| 626 | K | 83.3 | Confident | 81 | Confident | 147 Ų | 147 | 95.7 Ų | 95.7 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.3 | -44.5 | 173.7 | -76.2 | 176.6 | 178.9 | 177.1 | 0 | 112.2 | I622 S623 L629 S630 | I622-K626 HydrophobicContact CG2-CD 4.35Å; I622-K626 WeakPolarHBondContact O-CG 3.37Å; I622-K626 PolarHBondContact O-N 2.86Å; S623-K626 PolarHBondContact O-N 3.02Å; K626-L629 PolarHBondContact O-N 2.87Å; K626-S630 PolarHBondContact O-N 3.17Å |
| 627 | A | 83.9 | Confident | 82.1 | Confident | 62 Ų | 62 | 98 Ų | 98 | 51% | 0.512 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S623 Q624 L625 L629 S631 | S623-A627 PolarHBondContact O-N 3.5Å; Q624-A627 PolarHBondContact O-N 2.97Å; L625-A627 PolarHBondContact O-N 3.5Å; A627-L629 VanDerWaalsContact C-N 3.33Å; A627-L629 PolarHBondContact O-N 3.2Å; A627-S631 WeakPolarHBondContact O-CB 3.34Å; A627-S631 PolarHBondContact O-N 2.84Å |
| 628 | K | 87.5 | Confident | 82.8 | Confident | 131 Ų | 131 | 97 Ų | 97 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -38 | 174.3 | -75.8 | 171.1 | -179.1 | 169.3 | 0 | 112.4 | Q624 L625 S631 M632 | Q624-K628 WeakPolarHBondContact O-CB 3.28Å; Q624-K628 WeakPolarHBondContact O-CG 3.49Å; Q624-K628 PolarHBondContact O-N 3.22Å; L625-K628 PolarHBondContact O-N 2.98Å; K628-S631 PolarHBondContact O-N 3.08Å; K628-M632 WeakPolarHBondContact O-CB 3.44Å; K628-M632 PolarHBondContact O-N 3.08Å |
| 629 | L | 81.6 | Confident | 83.3 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 55% | 0.55 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.9 | -46.1 | -179 | -158.6 | 142.6 | 0 | 0 | 0 | 111 | L625 K626 A627 S631 M632 E633 | L625-L629 WeakPolarHBondContact O-CB 3.38Å; L625-L629 PolarHBondContact O-N 3.39Å; K626-L629 PolarHBondContact O-N 2.87Å; A627-L629 VanDerWaalsContact C-N 3.33Å; A627-L629 PolarHBondContact O-N 3.2Å; L629-S631 PolarHBondContact O-N 2.7Å; L629-M632 WeakPolarHBondContact O-CB 3.46Å; L629-M632 PolarHBondContact O-N 2.94Å; L629-M632 VanDerWaalsContact O-N 3.1Å; L629-E633 HydrophobicContact CD2-CG 4.34Å; L629-E633 WeakPolarHBondContact CD2-OE1 3.47Å; L629-E633 WeakPolarHBondContact O-CG 3.25Å; L629-E633 PolarHBondContact O-N 3.43Å |
| 630 | S | 87.9 | Confident | 83.8 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 171.3 | 168.5 | 0 | 0 | 0 | 0 | 112.5 | K626 M632 E633 D634 | K626-S630 PolarHBondContact O-N 3.17Å; S630-M632 VanDerWaalsContact C-N 3.29Å; S630-M632 PolarHBondContact O-N 3.04Å; S630-E633 PolarHBondContact O-N 3Å; S630-D634 PolarHBondContact O-N 3.44Å |
| 631 | S | 86.6 | Confident | 84.3 | Confident | 79 Ų | 79 | 93.3 Ų | 93.3 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.5 | -34.9 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 112.8 | A627 K628 L629 R635 | A627-S631 WeakPolarHBondContact O-CB 3.34Å; A627-S631 PolarHBondContact O-N 2.84Å; K628-S631 PolarHBondContact O-N 3.08Å; L629-S631 PolarHBondContact O-N 2.7Å; S631-R635 WeakPolarHBondContact O-CB 3.15Å; S631-R635 PolarHBondContact O-N 3.1Å |
| 632 | M | 84.9 | Confident | 84.5 | Confident | 110 Ų | 110 | 93.5 Ų | 93.5 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.1 | -42.6 | 175.3 | -164.6 | 101.1 | 75.7 | 0 | 0 | 111.7 | K628 L629 S630 R635 C636 | K628-M632 WeakPolarHBondContact O-CB 3.44Å; K628-M632 PolarHBondContact O-N 3.08Å; L629-M632 WeakPolarHBondContact O-CB 3.46Å; L629-M632 PolarHBondContact O-N 2.94Å; L629-M632 VanDerWaalsContact O-N 3.1Å; S630-M632 VanDerWaalsContact C-N 3.29Å; S630-M632 PolarHBondContact O-N 3.04Å; M632-R635 PolarHBondContact O-N 3.11Å; M632-C636 PolarHBondContact O-N 2.75Å; M632-C636 PolarHBondContact O-SG 2.85Å |
| 633 | E | 85.5 | Confident | 84.8 | Confident | 99 Ų | 99 | 92.2 Ų | 92.2 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 176.8 | -74.3 | 177.1 | 172.9 | 0 | 0 | 111.9 | L629 S630 R635 C636 K637 | L629-E633 HydrophobicContact CD2-CG 4.34Å; L629-E633 WeakPolarHBondContact CD2-OE1 3.47Å; L629-E633 WeakPolarHBondContact O-CG 3.25Å; L629-E633 PolarHBondContact O-N 3.43Å; S630-E633 PolarHBondContact O-N 3Å; E633-R635 VanDerWaalsContact C-N 3.33Å; E633-R635 PolarHBondContact O-N 2.74Å; E633-C636 WeakPolarHBondContact O-CB 3.35Å; E633-C636 PolarHBondContact O-N 3.03Å; E633-K637 WeakPolarHBondContact O-CG 3.33Å; E633-K637 PolarHBondContact O-N 2.94Å |
| 634 | D | 87.4 | Confident | 85.1 | Confident | 78 Ų | 78 | 93.2 Ų | 93.2 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 178 | -71.4 | -24.9 | 0 | 0 | 0 | 111.6 | S630 C636 K637 T638 | S630-D634 PolarHBondContact O-N 3.44Å; D634-C636 VanDerWaalsContact C-N 3.31Å; D634-C636 PolarHBondContact O-N 3.4Å; D634-K637 WeakPolarHBondContact O-CB 3.38Å; D634-K637 PolarHBondContact O-N 2.99Å; D634-K637 VanDerWaalsContact O-N 3.16Å; D634-K637 IonicContact OD1-NZ 3.55Å; D634-K637 PolarHBondContact OD1-NZ 3.31Å; D634-T638 PolarHBondContact O-N 3.32Å; D634-T638 PolarHBondContact O-OG1 3.35Å |
| 635 | R | 87 | Confident | 85.2 | Confident | 127 Ų | 127 | 94.2 Ų | 94.2 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 173.8 | -159.4 | 174 | 74.9 | 92.6 | 13.5 | 112.5 | S631 M632 E633 L639 | S631-R635 WeakPolarHBondContact O-CB 3.15Å; S631-R635 PolarHBondContact O-N 3.1Å; M632-R635 PolarHBondContact O-N 3.11Å; E633-R635 VanDerWaalsContact C-N 3.33Å; E633-R635 PolarHBondContact O-N 2.74Å; R635-L639 WeakPolarHBondContact O-CB 3.18Å; R635-L639 VanDerWaalsContact O-CG 3.32Å; R635-L639 WeakPolarHBondContact O-CG 3.37Å; R635-L639 PolarHBondContact O-N 2.63Å |
| 636 | C | 82.7 | Confident | 85.1 | Confident | 56 Ų | 56 | 93.2 Ų | 93.2 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 172.6 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | M632 E633 D634 L639 M640 | M632-C636 PolarHBondContact O-N 2.75Å; M632-C636 PolarHBondContact O-SG 2.85Å; E633-C636 WeakPolarHBondContact O-CB 3.35Å; E633-C636 PolarHBondContact O-N 3.03Å; D634-C636 VanDerWaalsContact C-N 3.31Å; D634-C636 PolarHBondContact O-N 3.4Å; C636-L639 PolarHBondContact O-N 3.02Å; C636-M640 PolarHBondContact O-N 3.45Å |
| 637 | K | 89.1 | Confident | 85.1 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 172.8 | -65.2 | 166.4 | -158.9 | 157.9 | 0 | 111.2 | E633 D634 M640 A641 | E633-K637 WeakPolarHBondContact O-CG 3.33Å; E633-K637 PolarHBondContact O-N 2.94Å; D634-K637 WeakPolarHBondContact O-CB 3.38Å; D634-K637 PolarHBondContact O-N 2.99Å; D634-K637 VanDerWaalsContact O-N 3.16Å; D634-K637 IonicContact OD1-NZ 3.55Å; D634-K637 PolarHBondContact OD1-NZ 3.31Å; K637-M640 PolarHBondContact O-N 3.19Å; K637-A641 PolarHBondContact O-N 3.38Å |
| 638 | T | 85.5 | Confident | 85.3 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | D634 M640 A641 E642 | D634-T638 PolarHBondContact O-N 3.32Å; D634-T638 PolarHBondContact O-OG1 3.35Å; T638-M640 VanDerWaalsContact C-N 3.32Å; T638-M640 PolarHBondContact O-N 3.16Å; T638-A641 WeakPolarHBondContact O-CB 3.25Å; T638-A641 PolarHBondContact O-N 3.01Å; T638-A641 VanDerWaalsContact O-N 3.1Å; T638-E642 WeakPolarHBondContact O-CG 3.26Å; T638-E642 PolarHBondContact O-N 2.97Å |
| 639 | L | 83.1 | Confident | 85.2 | Confident | 82 Ų | 82 | 90.5 Ų | 90.5 | 43% | 0.429 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 178.9 | -73.9 | 167.7 | 0 | 0 | 0 | 112.9 | R635 C636 A643 | R635-L639 WeakPolarHBondContact O-CB 3.18Å; R635-L639 VanDerWaalsContact O-CG 3.32Å; R635-L639 WeakPolarHBondContact O-CG 3.37Å; R635-L639 PolarHBondContact O-N 2.63Å; C636-L639 PolarHBondContact O-N 3.02Å; L639-A643 WeakPolarHBondContact O-CB 3.34Å; L639-A643 PolarHBondContact O-N 3.46Å |
| 640 | M | 85.9 | Confident | 84.9 | Confident | 127 Ų | 127 | 90.3 Ų | 90.3 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.3 | -38.8 | 173.1 | -78.5 | -165.3 | -91.2 | 0 | 0 | 112.3 | C636 K637 T638 A643 V644 | C636-M640 PolarHBondContact O-N 3.45Å; K637-M640 PolarHBondContact O-N 3.19Å; T638-M640 VanDerWaalsContact C-N 3.32Å; T638-M640 PolarHBondContact O-N 3.16Å; M640-A643 PolarHBondContact O-N 2.98Å; M640-V644 WeakPolarHBondContact O-CG2 3.5Å; M640-V644 PolarHBondContact O-N 3.39Å; M640-V644 VanDerWaalsContact O-N 3.08Å |
| 641 | A | 87.1 | Confident | 84.8 | Confident | 52 Ų | 52 | 92.3 Ų | 92.3 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K637 T638 V644 Q645 | K637-A641 PolarHBondContact O-N 3.38Å; T638-A641 WeakPolarHBondContact O-CB 3.25Å; T638-A641 PolarHBondContact O-N 3.01Å; T638-A641 VanDerWaalsContact O-N 3.1Å; A641-V644 PolarHBondContact O-N 3.11Å; A641-Q645 WeakPolarHBondContact O-CG 3.18Å; A641-Q645 PolarHBondContact O-N 2.89Å |
| 642 | E | 83.9 | Confident | 84.7 | Confident | 99 Ų | 99 | 93.9 Ų | 93.9 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.5 | -72.7 | 174.6 | 175.6 | 0 | 0 | 112 | T638 Q645 T646 | T638-E642 WeakPolarHBondContact O-CG 3.26Å; T638-E642 PolarHBondContact O-N 2.97Å; E642-Q645 PolarHBondContact O-N 3.42Å; E642-T646 WeakPolarHBondContact O-CB 3.48Å; E642-T646 PolarHBondContact O-N 3.34Å; E642-T646 PolarHBondContact O-OG1 2.94Å |
| 643 | A | 82 | Confident | 84.8 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L639 M640 T646 Q647 | L639-A643 WeakPolarHBondContact O-CB 3.34Å; L639-A643 PolarHBondContact O-N 3.46Å; M640-A643 PolarHBondContact O-N 2.98Å; A643-T646 PolarHBondContact O-N 3.45Å; A643-Q647 WeakPolarHBondContact O-CB 3.24Å; A643-Q647 PolarHBondContact O-N 3Å |
| 644 | V | 87.4 | Confident | 84.8 | Confident | 80 Ų | 80 | 94.6 Ų | 94.6 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | M640 A641 T646 Q647 Q648 | M640-V644 WeakPolarHBondContact O-CG2 3.5Å; M640-V644 PolarHBondContact O-N 3.39Å; M640-V644 VanDerWaalsContact O-N 3.08Å; A641-V644 PolarHBondContact O-N 3.11Å; V644-T646 VanDerWaalsContact C-N 3.35Å; V644-T646 PolarHBondContact O-N 3.44Å; V644-Q647 PolarHBondContact O-N 3.48Å; V644-Q648 WeakPolarHBondContact O-CG 3.3Å; V644-Q648 PolarHBondContact O-N 3.23Å |
| 645 | Q | 85 | Confident | 84.7 | Confident | 132 Ų | 132 | 93.8 Ų | 93.8 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 175.2 | -74.1 | -177.2 | 2.7 | 0 | 0 | 112.1 | A641 E642 Q647 Q648 A649 | A641-Q645 WeakPolarHBondContact O-CG 3.18Å; A641-Q645 PolarHBondContact O-N 2.89Å; E642-Q645 PolarHBondContact O-N 3.42Å; Q645-Q647 VanDerWaalsContact C-N 3.34Å; Q645-Q647 PolarHBondContact O-N 3.06Å; Q645-Q648 PolarHBondContact O-N 2.83Å; Q645-A649 WeakPolarHBondContact O-CB 3.32Å; Q645-A649 PolarHBondContact O-N 3.24Å |
| 646 | T | 80.5 | Confident | 84.7 | Confident | 80 Ų | 80 | 92.9 Ų | 92.9 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 177.5 | -55 | 0 | 0 | 0 | 0 | 111.3 | E642 A643 V644 A649 N650 | E642-T646 WeakPolarHBondContact O-CB 3.48Å; E642-T646 PolarHBondContact O-N 3.34Å; E642-T646 PolarHBondContact O-OG1 2.94Å; A643-T646 PolarHBondContact O-N 3.45Å; V644-T646 VanDerWaalsContact C-N 3.35Å; V644-T646 PolarHBondContact O-N 3.44Å; T646-A649 PolarHBondContact O-N 2.86Å; T646-N650 PolarHBondContact O-N 2.81Å; T646-N650 PolarHBondContact O-ND2 2.83Å |
| 647 | Q | 82.4 | Confident | 84.5 | Confident | 115 Ų | 115 | 94.8 Ų | 94.8 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 175 | -176 | 175.8 | -18.4 | 0 | 0 | 111.6 | A643 V644 Q645 A649 N650 E651 | A643-Q647 WeakPolarHBondContact O-CB 3.24Å; A643-Q647 PolarHBondContact O-N 3Å; V644-Q647 PolarHBondContact O-N 3.48Å; Q645-Q647 VanDerWaalsContact C-N 3.34Å; Q645-Q647 PolarHBondContact O-N 3.06Å; Q647-A649 VanDerWaalsContact C-N 3.33Å; Q647-A649 PolarHBondContact O-N 3.39Å; Q647-N650 PolarHBondContact O-N 3.47Å; Q647-E651 WeakPolarHBondContact CG-OE1 3.46Å; Q647-E651 PolarHBondContact NE2-OE1 2.91Å; Q647-E651 WeakPolarHBondContact O-CG 3.22Å; Q647-E651 PolarHBondContact O-N 2.95Å |
| 648 | Q | 87.5 | Confident | 84.3 | Confident | 113 Ų | 113 | 94.3 Ų | 94.3 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 176.2 | -72.5 | 179.3 | -14.5 | 0 | 0 | 112.4 | V644 Q645 E651 N652 | V644-Q648 WeakPolarHBondContact O-CG 3.3Å; V644-Q648 PolarHBondContact O-N 3.23Å; Q645-Q648 PolarHBondContact O-N 2.83Å; Q648-E651 PolarHBondContact O-N 3.23Å; Q648-N652 VanDerWaalsContact O-CG 3.28Å; Q648-N652 PolarHBondContact O-N 3.27Å; Q648-N652 PolarHBondContact O-ND2 3.14Å |
| 649 | A | 85.5 | Confident | 84.4 | Confident | 55 Ų | 55 | 93.8 Ų | 93.8 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q645 T646 Q647 N652 L653 | Q645-A649 WeakPolarHBondContact O-CB 3.32Å; Q645-A649 PolarHBondContact O-N 3.24Å; T646-A649 PolarHBondContact O-N 2.86Å; Q647-A649 VanDerWaalsContact C-N 3.33Å; Q647-A649 PolarHBondContact O-N 3.39Å; A649-N652 PolarHBondContact O-N 3.5Å; A649-L653 WeakPolarHBondContact O-CB 3.28Å; A649-L653 PolarHBondContact O-N 2.99Å |
| 650 | N | 76.5 | Confident | 84.3 | Confident | 100 Ų | 100 | 93.3 Ų | 93.3 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 176 | -76.9 | -26.6 | 0 | 0 | 0 | 112.9 | T646 Q647 L653 K654 | T646-N650 PolarHBondContact O-N 2.81Å; T646-N650 PolarHBondContact O-ND2 2.83Å; Q647-N650 PolarHBondContact O-N 3.47Å; N650-L653 PolarHBondContact O-N 3.3Å; N650-K654 VanDerWaalsContact O-CB 3.22Å; N650-K654 WeakPolarHBondContact O-CB 3.35Å; N650-K654 PolarHBondContact O-N 3.01Å |
| 651 | E | 84.6 | Confident | 83.7 | Confident | 102 Ų | 102 | 92.2 Ų | 92.2 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 175.9 | -73 | 170.6 | -169.6 | 0 | 0 | 111.8 | Q647 Q648 S655 | Q647-E651 WeakPolarHBondContact CG-OE1 3.46Å; Q647-E651 PolarHBondContact NE2-OE1 2.91Å; Q647-E651 WeakPolarHBondContact O-CG 3.22Å; Q647-E651 PolarHBondContact O-N 2.95Å; Q648-E651 PolarHBondContact O-N 3.23Å; E651-S655 PolarHBondContact O-N 3.02Å; E651-S655 PolarHBondContact O-OG 3.18Å |
| 652 | N | 86 | Confident | 83.5 | Confident | 112 Ų | 112 | 92.3 Ų | 92.3 | 60% | 0.599 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.4 | -45.2 | 172.1 | -70 | -26.6 | 0 | 0 | 0 | 112 | Q648 A649 K654 S655 Q656 | Q648-N652 VanDerWaalsContact O-CG 3.28Å; Q648-N652 PolarHBondContact O-N 3.27Å; Q648-N652 PolarHBondContact O-ND2 3.14Å; A649-N652 PolarHBondContact O-N 3.5Å; N652-K654 VanDerWaalsContact C-N 3.34Å; N652-K654 PolarHBondContact O-N 2.87Å; N652-S655 PolarHBondContact O-N 3.49Å; N652-S655 PolarHBondContact O-OG 3.3Å; N652-Q656 PolarHBondContact O-N 3.48Å |
| 653 | L | 86 | Confident | 83.4 | Confident | 98 Ų | 98 | 92 Ų | 92 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 178.2 | -157.2 | 83 | 0 | 0 | 0 | 111.5 | A649 N650 Q656 L657 | A649-L653 WeakPolarHBondContact O-CB 3.28Å; A649-L653 PolarHBondContact O-N 2.99Å; N650-L653 PolarHBondContact O-N 3.3Å; L653-Q656 PolarHBondContact O-N 2.9Å; L653-L657 WeakPolarHBondContact O-CG 3.24Å; L653-L657 PolarHBondContact O-N 3.39Å |
| 654 | K | 85.1 | Confident | 82.8 | Confident | 126 Ų | 126 | 91.4 Ų | 91.4 | 55% | 0.548 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 176.8 | -176.1 | -172.1 | 174.8 | -153.5 | 0 | 111.6 | N650 N652 Q656 L657 E658 | N650-K654 VanDerWaalsContact O-CB 3.22Å; N650-K654 WeakPolarHBondContact O-CB 3.35Å; N650-K654 PolarHBondContact O-N 3.01Å; N652-K654 VanDerWaalsContact C-N 3.34Å; N652-K654 PolarHBondContact O-N 2.87Å; K654-Q656 VanDerWaalsContact C-N 3.31Å; K654-Q656 PolarHBondContact O-N 2.88Å; K654-L657 PolarHBondContact O-N 3.37Å; K654-E658 WeakPolarHBondContact CE-OE1 3.34Å; K654-E658 IonicContact NZ-OE1 2.82Å; K654-E658 PolarHBondContact NZ-OE1 3.44Å; K654-E658 WeakPolarHBondContact O-CG 3.5Å; K654-E658 PolarHBondContact O-N 3.4Å |
| 655 | S | 86.3 | Confident | 82.5 | Confident | 61 Ų | 61 | 93.4 Ų | 93.4 | 43% | 0.427 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -31.8 | 179.8 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | E651 N652 S659 | E651-S655 PolarHBondContact O-N 3.02Å; E651-S655 PolarHBondContact O-OG 3.18Å; N652-S655 PolarHBondContact O-N 3.49Å; N652-S655 PolarHBondContact O-OG 3.3Å; S655-S659 PolarHBondContact O-N 3.33Å; S655-S659 VanDerWaalsContact O-N 3.16Å |
| 656 | Q | 86.3 | Confident | 82.5 | Confident | 107 Ų | 107 | 92 Ų | 92 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 168.7 | -177.5 | 178.2 | -16.4 | 0 | 0 | 111.7 | N652 L653 K654 E658 S659 E660 | N652-Q656 PolarHBondContact O-N 3.48Å; L653-Q656 PolarHBondContact O-N 2.9Å; K654-Q656 VanDerWaalsContact C-N 3.31Å; K654-Q656 PolarHBondContact O-N 2.88Å; Q656-E658 VanDerWaalsContact C-N 3.35Å; Q656-E658 PolarHBondContact O-N 2.78Å; Q656-S659 WeakPolarHBondContact O-CB 3.48Å; Q656-S659 PolarHBondContact O-N 3.34Å; Q656-S659 VanDerWaalsContact O-N 3.17Å; Q656-E660 WeakPolarHBondContact CG-OE1 3.36Å; Q656-E660 PolarHBondContact NE2-OE1 2.9Å; Q656-E660 WeakPolarHBondContact O-CG 3.31Å; Q656-E660 PolarHBondContact O-N 3.08Å |
| 657 | L | 79.4 | Confident | 82.5 | Confident | 97 Ų | 97 | 91.1 Ų | 91.1 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 179.2 | -71.9 | 169.3 | 0 | 0 | 0 | 112.9 | L653 K654 S659 E660 L661 | L653-L657 WeakPolarHBondContact O-CG 3.24Å; L653-L657 PolarHBondContact O-N 3.39Å; K654-L657 PolarHBondContact O-N 3.37Å; L657-S659 VanDerWaalsContact C-N 3.35Å; L657-E660 PolarHBondContact O-N 3.42Å; L657-L661 VanDerWaalsContact O-CB 3.28Å; L657-L661 WeakPolarHBondContact O-CB 3.39Å; L657-L661 PolarHBondContact O-N 2.88Å |
| 658 | E | 85 | Confident | 82 | Confident | 108 Ų | 108 | 90 Ų | 90 | 51% | 0.505 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 173.8 | -74.2 | 174.4 | 162.1 | 0 | 0 | 111.7 | K654 Q656 A662 | K654-E658 WeakPolarHBondContact CE-OE1 3.34Å; K654-E658 IonicContact NZ-OE1 2.82Å; K654-E658 PolarHBondContact NZ-OE1 3.44Å; K654-E658 WeakPolarHBondContact O-CG 3.5Å; K654-E658 PolarHBondContact O-N 3.4Å; Q656-E658 VanDerWaalsContact C-N 3.35Å; Q656-E658 PolarHBondContact O-N 2.78Å; E658-A662 WeakPolarHBondContact O-CB 3.25Å; E658-A662 PolarHBondContact O-N 2.97Å; E658-A662 VanDerWaalsContact O-N 3.07Å |
| 659 | S | 86.9 | Confident | 81.8 | Confident | 66 Ų | 66 | 90.3 Ų | 90.3 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 112.6 | S655 Q656 L657 A662 N663 | S655-S659 PolarHBondContact O-N 3.33Å; S655-S659 VanDerWaalsContact O-N 3.16Å; Q656-S659 WeakPolarHBondContact O-CB 3.48Å; Q656-S659 PolarHBondContact O-N 3.34Å; Q656-S659 VanDerWaalsContact O-N 3.17Å; L657-S659 VanDerWaalsContact C-N 3.35Å; S659-A662 PolarHBondContact O-N 2.91Å; S659-N663 PolarHBondContact O-N 2.84Å; S659-N663 PolarHBondContact O-ND2 2.87Å; S659-N663 VanDerWaalsContact O-ND2 3.07Å |
| 660 | E | 80.4 | Confident | 81.7 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 34% | 0.336 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.7 | -72.4 | 174.8 | -167.3 | 0 | 0 | 111.6 | Q656 L657 N663 A664 | Q656-E660 WeakPolarHBondContact CG-OE1 3.36Å; Q656-E660 PolarHBondContact NE2-OE1 2.9Å; Q656-E660 WeakPolarHBondContact O-CG 3.31Å; Q656-E660 PolarHBondContact O-N 3.08Å; L657-E660 PolarHBondContact O-N 3.42Å; E660-N663 PolarHBondContact O-N 3.21Å; E660-A664 WeakPolarHBondContact O-CB 3.45Å; E660-A664 PolarHBondContact O-N 3.36Å |
| 661 | L | 74.1 | Confident | 81.7 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.3 | -178.3 | 62.4 | 0 | 0 | 0 | 112.2 | L657 A664 Q665 | L657-L661 VanDerWaalsContact O-CB 3.28Å; L657-L661 WeakPolarHBondContact O-CB 3.39Å; L657-L661 PolarHBondContact O-N 2.88Å; L661-A664 PolarHBondContact O-N 2.93Å; L661-Q665 HydrophobicContact CD1-CG 4.49Å; L661-Q665 WeakPolarHBondContact O-CB 3.21Å; L661-Q665 VanDerWaalsContact O-CG 3.32Å; L661-Q665 WeakPolarHBondContact O-CG 3.37Å; L661-Q665 PolarHBondContact O-N 3.27Å |
| 662 | A | 83.9 | Confident | 81.5 | Confident | 53 Ų | 53 | 91.3 Ų | 91.3 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E658 S659 Q665 Q666 | E658-A662 WeakPolarHBondContact O-CB 3.25Å; E658-A662 PolarHBondContact O-N 2.97Å; E658-A662 VanDerWaalsContact O-N 3.07Å; S659-A662 PolarHBondContact O-N 2.91Å; A662-Q665 PolarHBondContact O-N 2.98Å; A662-Q666 PolarHBondContact O-N 2.79Å |
| 663 | N | 80.7 | Confident | 81.5 | Confident | 93 Ų | 93 | 90.6 Ų | 90.6 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 175.3 | -71.2 | -37 | 0 | 0 | 0 | 112 | S659 E660 S667 | S659-N663 PolarHBondContact O-N 2.84Å; S659-N663 PolarHBondContact O-ND2 2.87Å; S659-N663 VanDerWaalsContact O-ND2 3.07Å; E660-N663 PolarHBondContact O-N 3.21Å; N663-S667 WeakPolarHBondContact O-CB 3.42Å; N663-S667 PolarHBondContact O-N 3.2Å; N663-S667 PolarHBondContact O-OG 3.34Å |
| 664 | A | 70.1 | Confident | 81.4 | Confident | 46 Ų | 46 | 89.5 Ų | 89.5 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E660 L661 Q666 S667 V668 | E660-A664 WeakPolarHBondContact O-CB 3.45Å; E660-A664 PolarHBondContact O-N 3.36Å; L661-A664 PolarHBondContact O-N 2.93Å; A664-Q666 PolarHBondContact O-N 2.87Å; A664-S667 WeakPolarHBondContact O-CB 3.44Å; A664-S667 PolarHBondContact O-N 2.92Å; A664-S667 VanDerWaalsContact O-N 3.14Å; A664-V668 WeakPolarHBondContact O-CG2 3.18Å; A664-V668 PolarHBondContact O-N 3.3Å |
| 665 | Q | 80.3 | Confident | 81.1 | Confident | 121 Ų | 121 | 87.3 Ų | 87.3 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 176.3 | -74.7 | 174.7 | -8.9 | 0 | 0 | 112.1 | L661 A662 S667 V668 Q669 | L661-Q665 HydrophobicContact CD1-CG 4.49Å; L661-Q665 WeakPolarHBondContact O-CB 3.21Å; L661-Q665 VanDerWaalsContact O-CG 3.32Å; L661-Q665 WeakPolarHBondContact O-CG 3.37Å; L661-Q665 PolarHBondContact O-N 3.27Å; A662-Q665 PolarHBondContact O-N 2.98Å; Q665-S667 VanDerWaalsContact C-N 3.27Å; Q665-S667 PolarHBondContact O-N 3.01Å; Q665-V668 PolarHBondContact O-N 2.81Å; Q665-Q669 PolarHBondContact O-N 2.83Å |
| 666 | Q | 85.8 | Confident | 81 | Confident | 104 Ų | 104 | 87.2 Ų | 87.2 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 176 | -166.6 | -168.3 | 79 | 0 | 0 | 112.1 | A662 A664 Q669 K670 | A662-Q666 PolarHBondContact O-N 2.79Å; A664-Q666 PolarHBondContact O-N 2.87Å; Q666-Q669 PolarHBondContact O-N 3.42Å; Q666-K670 WeakPolarHBondContact O-CG 3.35Å; Q666-K670 PolarHBondContact O-N 2.83Å; Q666-K670 VanDerWaalsContact O-N 3.1Å |
| 667 | S | 80 | Confident | 80.9 | Confident | 60 Ų | 60 | 88.9 Ų | 88.9 | 42% | 0.42 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 179 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | N663 A664 Q665 Q669 K670 L671 | N663-S667 WeakPolarHBondContact O-CB 3.42Å; N663-S667 PolarHBondContact O-N 3.2Å; N663-S667 PolarHBondContact O-OG 3.34Å; A664-S667 WeakPolarHBondContact O-CB 3.44Å; A664-S667 PolarHBondContact O-N 2.92Å; A664-S667 VanDerWaalsContact O-N 3.14Å; Q665-S667 VanDerWaalsContact C-N 3.27Å; Q665-S667 PolarHBondContact O-N 3.01Å; S667-Q669 VanDerWaalsContact C-N 3.32Å; S667-Q669 PolarHBondContact O-N 3.06Å; S667-K670 PolarHBondContact O-N 3.32Å; S667-L671 WeakPolarHBondContact O-CG 3.35Å; S667-L671 PolarHBondContact O-N 3.49Å |
| 668 | V | 72.2 | Confident | 80.8 | Confident | 92 Ų | 92 | 90.3 Ų | 90.3 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | 173.1 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | A664 Q665 L671 S672 | A664-V668 WeakPolarHBondContact O-CG2 3.18Å; A664-V668 PolarHBondContact O-N 3.3Å; Q665-V668 PolarHBondContact O-N 2.81Å; V668-L671 PolarHBondContact O-N 3.34Å; V668-S672 WeakPolarHBondContact O-CB 3.49Å; V668-S672 PolarHBondContact O-N 3.22Å; V668-S672 PolarHBondContact O-OG 3.17Å |
| 669 | Q | 82.8 | Confident | 80.7 | Confident | 119 Ų | 119 | 92.4 Ų | 92.4 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.4 | -49 | 175.9 | -173.2 | 175.3 | -7.3 | 0 | 0 | 111.8 | Q665 Q666 S667 L671 S672 E673 | Q665-Q669 PolarHBondContact O-N 2.83Å; Q666-Q669 PolarHBondContact O-N 3.42Å; S667-Q669 VanDerWaalsContact C-N 3.32Å; S667-Q669 PolarHBondContact O-N 3.06Å; Q669-L671 VanDerWaalsContact C-N 3.35Å; Q669-L671 PolarHBondContact O-N 2.84Å; Q669-S672 WeakPolarHBondContact O-CB 3.35Å; Q669-S672 PolarHBondContact O-N 2.93Å; Q669-S672 VanDerWaalsContact O-N 3.12Å; Q669-E673 PolarHBondContact NE2-OE1 3.38Å; Q669-E673 PolarHBondContact O-N 2.8Å |
| 670 | K | 84.2 | Confident | 80.7 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.8 | -44.3 | 175.5 | -74.2 | 168.8 | 176.4 | 164.9 | 0 | 112.4 | Q666 S667 S672 E673 E674 | Q666-K670 WeakPolarHBondContact O-CG 3.35Å; Q666-K670 PolarHBondContact O-N 2.83Å; Q666-K670 VanDerWaalsContact O-N 3.1Å; S667-K670 PolarHBondContact O-N 3.32Å; K670-S672 VanDerWaalsContact C-N 3.31Å; K670-S672 PolarHBondContact O-N 2.85Å; K670-E673 PolarHBondContact O-N 2.79Å; K670-E674 PolarHBondContact O-N 2.88Å |
| 671 | L | 75.6 | Confident | 80.9 | Confident | 101 Ų | 101 | 95.1 Ų | 95.1 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 176.5 | -72.9 | 170.6 | 0 | 0 | 0 | 112.1 | S667 V668 Q669 E674 V675 | S667-L671 WeakPolarHBondContact O-CG 3.35Å; S667-L671 PolarHBondContact O-N 3.49Å; V668-L671 PolarHBondContact O-N 3.34Å; Q669-L671 VanDerWaalsContact C-N 3.35Å; Q669-L671 PolarHBondContact O-N 2.84Å; L671-E674 PolarHBondContact O-N 3.39Å; L671-V675 WeakPolarHBondContact O-CB 3.37Å; L671-V675 VanDerWaalsContact O-CG2 3.31Å; L671-V675 WeakPolarHBondContact O-CG2 3.49Å; L671-V675 PolarHBondContact O-N 3.33Å |
| 672 | S | 80.6 | Confident | 81 | Confident | 70 Ų | 70 | 92.3 Ų | 92.3 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | V668 Q669 K670 V675 A676 | V668-S672 WeakPolarHBondContact O-CB 3.49Å; V668-S672 PolarHBondContact O-N 3.22Å; V668-S672 PolarHBondContact O-OG 3.17Å; Q669-S672 WeakPolarHBondContact O-CB 3.35Å; Q669-S672 PolarHBondContact O-N 2.93Å; Q669-S672 VanDerWaalsContact O-N 3.12Å; K670-S672 VanDerWaalsContact C-N 3.31Å; K670-S672 PolarHBondContact O-N 2.85Å; S672-V675 PolarHBondContact O-N 2.9Å; S672-A676 WeakPolarHBondContact O-CB 3.35Å; S672-A676 PolarHBondContact O-N 2.86Å |
| 673 | E | 86.6 | Confident | 81.1 | Confident | 97 Ų | 97 | 97.6 Ų | 97.6 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.9 | -32.7 | 174.5 | -67.9 | 169.5 | -166.1 | 0 | 0 | 113 | Q669 K670 R677 | Q669-E673 PolarHBondContact NE2-OE1 3.38Å; Q669-E673 PolarHBondContact O-N 2.8Å; K670-E673 PolarHBondContact O-N 2.79Å; E673-R677 PolarHBondContact O-N 2.95Å; E673-R677 PolarHBondContact O-NE 3.24Å; E673-R677 VanDerWaalsContact O-NE 3.12Å |
| 674 | E | 83.5 | Confident | 81.5 | Confident | 75 Ų | 75 | 97.5 Ų | 97.5 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -48.3 | 170.1 | -79.4 | -178.4 | -154 | 0 | 0 | 111.4 | R527 K670 L671 A676 R677 E678 | R527-E674 IonicContact NH1-OE2 3.02Å; R527-E674 PolarHBondContact NH1-OE2 3.48Å; R527-E674 VanDerWaalsContact NH1-OE2 3.14Å; K670-E674 PolarHBondContact O-N 2.88Å; L671-E674 PolarHBondContact O-N 3.39Å; E674-A676 VanDerWaalsContact C-N 3.3Å; E674-A676 PolarHBondContact O-N 3.16Å; E674-R677 PolarHBondContact O-N 3.11Å; E674-E678 PolarHBondContact O-N 3.48Å |
| 675 | V | 77.8 | Confident | 82.1 | Confident | 80 Ų | 80 | 98.3 Ų | 98.3 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 178.4 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | L671 S672 K679 | L671-V675 WeakPolarHBondContact O-CB 3.37Å; L671-V675 VanDerWaalsContact O-CG2 3.31Å; L671-V675 WeakPolarHBondContact O-CG2 3.49Å; L671-V675 PolarHBondContact O-N 3.33Å; S672-V675 PolarHBondContact O-N 2.9Å; V675-K679 HydrophobicContact CG1-CD 4.46Å; V675-K679 WeakPolarHBondContact O-CG 3.39Å; V675-K679 PolarHBondContact O-N 2.85Å |
| 676 | A | 85.2 | Confident | 82.2 | Confident | 60 Ų | 60 | 96.3 Ų | 96.3 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S672 E674 E678 K679 E680 | S672-A676 WeakPolarHBondContact O-CB 3.35Å; S672-A676 PolarHBondContact O-N 2.86Å; E674-A676 VanDerWaalsContact C-N 3.3Å; E674-A676 PolarHBondContact O-N 3.16Å; A676-E678 PolarHBondContact O-N 3.29Å; A676-K679 PolarHBondContact O-N 3.46Å; A676-E680 PolarHBondContact O-N 2.85Å |
| 677 | R | 83.9 | Confident | 82.3 | Confident | 141 Ų | 141 | 98.1 Ų | 98.1 | 53% | 0.532 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 175.6 | -77.4 | 178.4 | -74.5 | 136.7 | -9 | 112.3 | E673 E674 K679 E680 T681 | E673-R677 PolarHBondContact O-N 2.95Å; E673-R677 PolarHBondContact O-NE 3.24Å; E673-R677 VanDerWaalsContact O-NE 3.12Å; E674-R677 PolarHBondContact O-N 3.11Å; R677-K679 VanDerWaalsContact C-N 3.33Å; R677-K679 PolarHBondContact O-N 3.27Å; R677-E680 WeakPolarHBondContact O-CB 3.25Å; R677-E680 PolarHBondContact O-N 3.49Å; R677-E680 VanDerWaalsContact O-N 3.13Å; R677-T681 PolarHBondContact O-N 2.79Å; R677-T681 PolarHBondContact O-OG1 3.46Å |
| 678 | E | 77.6 | Confident | 82.8 | Confident | 128 Ų | 128 | 100.6 Ų | 100.6 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.4 | -31.5 | 179.4 | -163.2 | 57.4 | -133.8 | 0 | 0 | 112.7 | E674 A676 E680 T681 A682 | E674-E678 PolarHBondContact O-N 3.48Å; A676-E678 PolarHBondContact O-N 3.29Å; E678-E680 VanDerWaalsContact C-N 3.32Å; E678-T681 VanDerWaalsContact CA-OG1 3.32Å; E678-T681 WeakPolarHBondContact CA-OG1 3.35Å; E678-T681 PolarHBondContact O-OG1 3.13Å; E678-T681 PolarHBondContact OE1-OG1 3.03Å; E678-A682 VanDerWaalsContact O-CB 3.23Å; E678-A682 WeakPolarHBondContact O-CB 3.26Å; E678-A682 PolarHBondContact O-N 2.81Å |
| 679 | K | 82 | Confident | 83.3 | Confident | 151 Ų | 151 | 100.6 Ų | 100.6 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -35.8 | 170.7 | -77.2 | 177.5 | 177.8 | -179.1 | 0 | 112.1 | V675 A676 R677 Y683 | V675-K679 HydrophobicContact CG1-CD 4.46Å; V675-K679 WeakPolarHBondContact O-CG 3.39Å; V675-K679 PolarHBondContact O-N 2.85Å; A676-K679 PolarHBondContact O-N 3.46Å; R677-K679 VanDerWaalsContact C-N 3.33Å; R677-K679 PolarHBondContact O-N 3.27Å; K679-Y683 WeakPolarHBondContact O-CB 3.09Å; K679-Y683 PolarHBondContact O-N 3.44Å |
| 680 | E | 88.5 | Confident | 83.6 | Confident | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.7 | -42.7 | 177.4 | -168.7 | 177.8 | 178.2 | 0 | 0 | 112 | A676 R677 E678 Y683 N684 | A676-E680 PolarHBondContact O-N 2.85Å; R677-E680 WeakPolarHBondContact O-CB 3.25Å; R677-E680 PolarHBondContact O-N 3.49Å; R677-E680 VanDerWaalsContact O-N 3.13Å; E678-E680 VanDerWaalsContact C-N 3.32Å; E680-Y683 PolarHBondContact O-N 2.89Å; E680-N684 WeakPolarHBondContact O-CB 3.33Å; E680-N684 VanDerWaalsContact O-CG 3.28Å; E680-N684 PolarHBondContact O-N 3.36Å; E680-N684 PolarHBondContact O-ND2 2.82Å; E680-N684 VanDerWaalsContact O-ND2 3.17Å |
| 681 | T | 84.4 | Confident | 84 | Confident | 72 Ų | 72 | 99.2 Ų | 99.2 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 173.4 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | R677 E678 N684 S685 | R677-T681 PolarHBondContact O-N 2.79Å; R677-T681 PolarHBondContact O-OG1 3.46Å; E678-T681 VanDerWaalsContact CA-OG1 3.32Å; E678-T681 WeakPolarHBondContact CA-OG1 3.35Å; E678-T681 PolarHBondContact O-OG1 3.13Å; E678-T681 PolarHBondContact OE1-OG1 3.03Å; T681-N684 PolarHBondContact O-N 2.87Å; T681-S685 WeakPolarHBondContact O-CB 3.4Å; T681-S685 PolarHBondContact O-N 3.48Å; T681-S685 PolarHBondContact O-OG 3.43Å |
| 682 | A | 75.7 | Confident | 84.5 | Confident | 44 Ų | 44 | 97.9 Ų | 97.9 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E678 S685 T686 | E678-A682 VanDerWaalsContact O-CB 3.23Å; E678-A682 WeakPolarHBondContact O-CB 3.26Å; E678-A682 PolarHBondContact O-N 2.81Å; A682-S685 WeakPolarHBondContact CA-OG 3.25Å; A682-S685 PolarHBondContact O-OG 3.41Å; A682-T686 WeakPolarHBondContact O-CB 3.36Å; A682-T686 PolarHBondContact O-N 3.35Å; A682-T686 PolarHBondContact O-OG1 2.88Å |
| 683 | Y | 85.4 | Confident | 84.8 | Confident | 164 Ų | 164 | 97.9 Ų | 97.9 | 64% | 0.643 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -48.6 | 175.6 | -175.2 | -95.4 | 0 | 0 | 0 | 111.8 | K679 E680 S685 T686 Y687 | K679-Y683 WeakPolarHBondContact O-CB 3.09Å; K679-Y683 PolarHBondContact O-N 3.44Å; E680-Y683 PolarHBondContact O-N 2.89Å; Y683-S685 PolarHBondContact O-N 3.05Å; Y683-T686 PolarHBondContact O-N 3.11Å; Y683-Y687 PolarHBondContact O-N 3.43Å |
| 684 | N | 89.2 | Confident | 85 | Confident | 91 Ų | 91 | 96.2 Ų | 96.2 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 179.9 | -73 | -30.8 | 0 | 0 | 0 | 112.6 | E680 T681 R688 | E680-N684 WeakPolarHBondContact O-CB 3.33Å; E680-N684 VanDerWaalsContact O-CG 3.28Å; E680-N684 PolarHBondContact O-N 3.36Å; E680-N684 PolarHBondContact O-ND2 2.82Å; E680-N684 VanDerWaalsContact O-ND2 3.17Å; T681-N684 PolarHBondContact O-N 2.87Å; N684-R688 WeakPolarHBondContact O-CB 3.49Å; N684-R688 PolarHBondContact O-N 2.92Å |
| 685 | S | 82.5 | Confident | 85.5 | Confident | 64 Ų | 64 | 96.7 Ų | 96.7 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 174.8 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | T681 A682 Y683 Y687 R688 V689 | T681-S685 WeakPolarHBondContact O-CB 3.4Å; T681-S685 PolarHBondContact O-N 3.48Å; T681-S685 PolarHBondContact O-OG 3.43Å; A682-S685 WeakPolarHBondContact CA-OG 3.25Å; A682-S685 PolarHBondContact O-OG 3.41Å; Y683-S685 PolarHBondContact O-N 3.05Å; S685-Y687 PolarHBondContact O-N 3.46Å; S685-R688 PolarHBondContact O-N 3.04Å; S685-V689 WeakPolarHBondContact O-CG2 3.33Å; S685-V689 PolarHBondContact O-N 2.85Å |
| 686 | T | 83 | Confident | 86 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 174.3 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | A682 Y683 R688 V689 Q690 | A682-T686 WeakPolarHBondContact O-CB 3.36Å; A682-T686 PolarHBondContact O-N 3.35Å; A682-T686 PolarHBondContact O-OG1 2.88Å; Y683-T686 PolarHBondContact O-N 3.11Å; T686-R688 VanDerWaalsContact C-N 3.35Å; T686-R688 PolarHBondContact O-N 3.39Å; T686-V689 PolarHBondContact O-N 2.81Å; T686-Q690 WeakPolarHBondContact O-CG 3.41Å; T686-Q690 PolarHBondContact O-N 2.74Å |
| 687 | Y | 87.9 | Confident | 86.2 | Confident | 141 Ų | 141 | 97.8 Ų | 97.8 | 55% | 0.553 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | 175.6 | -175.2 | -92.4 | 0 | 0 | 0 | 111.6 | Y683 S685 V689 Q690 E691 | Y683-Y687 PolarHBondContact O-N 3.43Å; S685-Y687 PolarHBondContact O-N 3.46Å; Y687-V689 VanDerWaalsContact C-N 3.35Å; Y687-V689 PolarHBondContact O-N 3.46Å; Y687-Q690 PolarHBondContact O-N 2.92Å; Y687-E691 PolarHBondContact O-N 3.22Å |
| 688 | R | 90.7 | Very high | 86.7 | Confident | 113 Ų | 113 | 96.2 Ų | 96.2 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 177.8 | -175.8 | 56.8 | 180 | 163.5 | 4.5 | 112.9 | N684 S685 T686 E691 L692 | N684-R688 WeakPolarHBondContact O-CB 3.49Å; N684-R688 PolarHBondContact O-N 2.92Å; S685-R688 PolarHBondContact O-N 3.04Å; T686-R688 VanDerWaalsContact C-N 3.35Å; T686-R688 PolarHBondContact O-N 3.39Å; R688-E691 WeakPolarHBondContact CD-OE2 3.42Å; R688-E691 IonicContact CZ-OE2 3.33Å; R688-E691 IonicContact NH1-OE1 3.93Å; R688-E691 PolarHBondContact NH1-OE1 3.31Å; R688-E691 VanDerWaalsContact NH1-OE1 3.11Å; R688-E691 IonicContact NH1-OE2 3.91Å; R688-E691 PolarHBondContact NH1-OE2 2.93Å; R688-E691 PolarHBondContact O-N 2.7Å; R688-L692 HydrophobicContact CG-CD1 4.19Å; R688-L692 WeakPolarHBondContact O-CB 3.24Å; R688-L692 VanDerWaalsContact O-CG 3.32Å; R688-L692 WeakPolarHBondContact O-CG 3.34Å; R688-L692 PolarHBondContact O-N 2.89Å |
| 689 | V | 82.6 | Confident | 87.3 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 173.9 | 169 | 0 | 0 | 0 | 0 | 111.1 | S685 T686 Y687 L692 T693 | S685-V689 WeakPolarHBondContact O-CG2 3.33Å; S685-V689 PolarHBondContact O-N 2.85Å; T686-V689 PolarHBondContact O-N 2.81Å; Y687-V689 VanDerWaalsContact C-N 3.35Å; Y687-V689 PolarHBondContact O-N 3.46Å; V689-L692 PolarHBondContact O-N 2.82Å; V689-T693 WeakPolarHBondContact O-CB 3.4Å; V689-T693 PolarHBondContact O-N 3.33Å; V689-T693 PolarHBondContact O-OG1 2.98Å |
| 690 | Q | 88.8 | Confident | 87.6 | Confident | 123 Ų | 123 | 94 Ų | 94 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -44.6 | 175.2 | -69.8 | 175.3 | 1.2 | 0 | 0 | 111.8 | T686 Y687 T693 A694 | T686-Q690 WeakPolarHBondContact O-CG 3.41Å; T686-Q690 PolarHBondContact O-N 2.74Å; Y687-Q690 PolarHBondContact O-N 2.92Å; Q690-T693 PolarHBondContact O-N 3.47Å; Q690-A694 PolarHBondContact O-N 3.29Å |
| 691 | E | 92.4 | Very high | 87.8 | Confident | 75 Ų | 75 | 91.3 Ų | 91.3 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 176.9 | -165.9 | -159.2 | 161.3 | 0 | 0 | 111.9 | Y687 R688 T693 A694 Q695 | Y687-E691 PolarHBondContact O-N 3.22Å; R688-E691 WeakPolarHBondContact CD-OE2 3.42Å; R688-E691 IonicContact CZ-OE2 3.33Å; R688-E691 IonicContact NH1-OE1 3.93Å; R688-E691 PolarHBondContact NH1-OE1 3.31Å; R688-E691 VanDerWaalsContact NH1-OE1 3.11Å; R688-E691 IonicContact NH1-OE2 3.91Å; R688-E691 PolarHBondContact NH1-OE2 2.93Å; R688-E691 PolarHBondContact O-N 2.7Å; E691-T693 VanDerWaalsContact C-N 3.34Å; E691-T693 PolarHBondContact O-N 3.08Å; E691-A694 PolarHBondContact O-N 2.84Å; E691-Q695 WeakPolarHBondContact O-CG 3.31Å; E691-Q695 PolarHBondContact O-N 3.12Å; E691-Q695 PolarHBondContact OE1-NE2 2.95Å; E691-Q695 VanDerWaalsContact OE1-NE2 3.15Å |
| 692 | L | 87.2 | Confident | 88.3 | Confident | 73 Ų | 73 | 90.9 Ų | 90.9 | 38% | 0.382 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176 | -74 | 171.1 | 0 | 0 | 0 | 112.1 | R688 V689 A694 Q695 V696 | R688-L692 HydrophobicContact CG-CD1 4.19Å; R688-L692 WeakPolarHBondContact O-CB 3.24Å; R688-L692 VanDerWaalsContact O-CG 3.32Å; R688-L692 WeakPolarHBondContact O-CG 3.34Å; R688-L692 PolarHBondContact O-N 2.89Å; V689-L692 PolarHBondContact O-N 2.82Å; L692-A694 VanDerWaalsContact C-N 3.34Å; L692-A694 PolarHBondContact O-N 3.4Å; L692-Q695 PolarHBondContact O-N 3.21Å; L692-V696 WeakPolarHBondContact O-CG2 3.27Å; L692-V696 PolarHBondContact O-N 2.78Å |
| 693 | T | 86.9 | Confident | 88.8 | Confident | 70 Ų | 70 | 92.6 Ų | 92.6 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.6 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | V689 Q690 E691 V696 N697 | V689-T693 WeakPolarHBondContact O-CB 3.4Å; V689-T693 PolarHBondContact O-N 3.33Å; V689-T693 PolarHBondContact O-OG1 2.98Å; Q690-T693 PolarHBondContact O-N 3.47Å; E691-T693 VanDerWaalsContact C-N 3.34Å; E691-T693 PolarHBondContact O-N 3.08Å; T693-V696 PolarHBondContact O-N 2.87Å; T693-N697 PolarHBondContact O-N 3.35Å; T693-N697 PolarHBondContact O-ND2 2.84Å; T693-N697 PolarHBondContact O-OD1 3.3Å |
| 694 | A | 91 | Very high | 89 | Confident | 61 Ų | 61 | 87.6 Ų | 87.6 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q690 E691 L692 N697 Q698 | Q690-A694 PolarHBondContact O-N 3.29Å; E691-A694 PolarHBondContact O-N 2.84Å; L692-A694 VanDerWaalsContact C-N 3.34Å; L692-A694 PolarHBondContact O-N 3.4Å; A694-N697 PolarHBondContact O-N 3.31Å; A694-Q698 PolarHBondContact O-N 3.46Å |
| 695 | Q | 94 | Very high | 89.1 | Confident | 86 Ų | 86 | 87.7 Ų | 87.7 | 40% | 0.402 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.6 | -70.1 | 174.5 | 19.5 | 0 | 0 | 112.3 | E691 L692 Q698 L699 | E691-Q695 WeakPolarHBondContact O-CG 3.31Å; E691-Q695 PolarHBondContact O-N 3.12Å; E691-Q695 PolarHBondContact OE1-NE2 2.95Å; E691-Q695 VanDerWaalsContact OE1-NE2 3.15Å; L692-Q695 PolarHBondContact O-N 3.21Å; Q695-Q698 PolarHBondContact O-N 2.72Å; Q695-L699 WeakPolarHBondContact O-CG 3.37Å; Q695-L699 PolarHBondContact O-N 3.44Å |
| 696 | V | 87.6 | Confident | 89.4 | Confident | 76 Ų | 76 | 88.8 Ų | 88.8 | 46% | 0.461 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 175 | 170 | 0 | 0 | 0 | 0 | 110.9 | L692 T693 Q698 L699 E700 | L692-V696 WeakPolarHBondContact O-CG2 3.27Å; L692-V696 PolarHBondContact O-N 2.78Å; T693-V696 PolarHBondContact O-N 2.87Å; V696-Q698 VanDerWaalsContact C-N 3.28Å; V696-Q698 PolarHBondContact O-N 2.74Å; V696-L699 PolarHBondContact O-N 3.49Å; V696-L699 VanDerWaalsContact O-N 3.13Å; V696-E700 HydrophobicContact CG1-CG 4.45Å; V696-E700 WeakPolarHBondContact O-CG 3.32Å; V696-E700 PolarHBondContact O-N 3.02Å |
| 697 | N | 89.9 | Confident | 89.6 | Confident | 86 Ų | 86 | 91.8 Ų | 91.8 | 46% | 0.46 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 178.7 | -67.2 | -14.7 | 0 | 0 | 0 | 112.4 | T693 A694 T701 | T693-N697 PolarHBondContact O-N 3.35Å; T693-N697 PolarHBondContact O-ND2 2.84Å; T693-N697 PolarHBondContact O-OD1 3.3Å; A694-N697 PolarHBondContact O-N 3.31Å; N697-T701 PolarHBondContact O-N 3.01Å; N697-T701 VanDerWaalsContact O-N 3.1Å; N697-T701 PolarHBondContact O-OG1 3.47Å |
| 698 | Q | 92.8 | Very high | 89.6 | Confident | 108 Ų | 108 | 90.4 Ų | 90.4 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 174.2 | -174 | 61.8 | 48.7 | 0 | 0 | 111.2 | A694 Q695 V696 E700 T701 D702 | A694-Q698 PolarHBondContact O-N 3.46Å; Q695-Q698 PolarHBondContact O-N 2.72Å; V696-Q698 VanDerWaalsContact C-N 3.28Å; V696-Q698 PolarHBondContact O-N 2.74Å; Q698-E700 VanDerWaalsContact C-N 3.32Å; Q698-E700 PolarHBondContact O-N 2.93Å; Q698-T701 WeakPolarHBondContact O-CA 3.43Å; Q698-T701 WeakPolarHBondContact O-CB 3.47Å; Q698-T701 PolarHBondContact O-N 2.97Å; Q698-D702 PolarHBondContact NE2-OD1 2.83Å; Q698-D702 VanDerWaalsContact O-CG 3.28Å; Q698-D702 PolarHBondContact O-N 3.46Å |
| 699 | L | 90.9 | Very high | 89.5 | Confident | 116 Ų | 116 | 90.8 Ų | 90.8 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.7 | -37.1 | 178 | -72 | 170.3 | 0 | 0 | 0 | 112.6 | Q695 V696 T701 L703 | Q695-L699 WeakPolarHBondContact O-CG 3.37Å; Q695-L699 PolarHBondContact O-N 3.44Å; V696-L699 PolarHBondContact O-N 3.49Å; V696-L699 VanDerWaalsContact O-N 3.13Å; L699-T701 VanDerWaalsContact C-N 3.33Å; L699-L703 WeakPolarHBondContact O-CB 3.4Å; L699-L703 PolarHBondContact O-N 3.22Å |
| 700 | E | 89.2 | Confident | 89.4 | Confident | 117 Ų | 117 | 91.5 Ų | 91.5 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -36.5 | 173.2 | -71.5 | -171.7 | 156.4 | 0 | 0 | 112.4 | V696 Q698 S704 | V696-E700 HydrophobicContact CG1-CG 4.45Å; V696-E700 WeakPolarHBondContact O-CG 3.32Å; V696-E700 PolarHBondContact O-N 3.02Å; Q698-E700 VanDerWaalsContact C-N 3.32Å; Q698-E700 PolarHBondContact O-N 2.93Å; E700-S704 WeakPolarHBondContact O-CB 3.16Å; E700-S704 PolarHBondContact O-N 2.85Å; E700-S704 VanDerWaalsContact O-N 3.08Å; E700-S704 PolarHBondContact O-OG 2.98Å |
| 701 | T | 91.9 | Very high | 89.1 | Confident | 67 Ų | 67 | 90.8 Ų | 90.8 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.5 | -49.3 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 111 | N697 Q698 L699 L703 S704 Q705 | N697-T701 PolarHBondContact O-N 3.01Å; N697-T701 VanDerWaalsContact O-N 3.1Å; N697-T701 PolarHBondContact O-OG1 3.47Å; Q698-T701 WeakPolarHBondContact O-CA 3.43Å; Q698-T701 WeakPolarHBondContact O-CB 3.47Å; Q698-T701 PolarHBondContact O-N 2.97Å; L699-T701 VanDerWaalsContact C-N 3.33Å; T701-L703 VanDerWaalsContact C-N 3.35Å; T701-L703 PolarHBondContact O-N 3.45Å; T701-S704 WeakPolarHBondContact O-CB 3.28Å; T701-S704 PolarHBondContact O-N 3.29Å; T701-S704 VanDerWaalsContact O-N 3.1Å; T701-Q705 WeakPolarHBondContact O-CG 3.38Å; T701-Q705 PolarHBondContact O-N 2.86Å |
| 702 | D | 93.9 | Very high | 88.6 | Confident | 63 Ų | 63 | 93.3 Ų | 93.3 | 34% | 0.337 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 179 | -63.3 | -15.6 | 0 | 0 | 0 | 111.6 | Q698 S704 Q705 T706 | Q698-D702 PolarHBondContact NE2-OD1 2.83Å; Q698-D702 VanDerWaalsContact O-CG 3.28Å; Q698-D702 PolarHBondContact O-N 3.46Å; D702-S704 VanDerWaalsContact C-N 3.3Å; D702-S704 PolarHBondContact O-N 3.39Å; D702-Q705 PolarHBondContact O-N 3.42Å; D702-T706 WeakPolarHBondContact O-CB 3.32Å; D702-T706 PolarHBondContact O-N 3.33Å; D702-T706 PolarHBondContact O-OG1 3.13Å |
| 703 | L | 87.5 | Confident | 88 | Confident | 81 Ų | 81 | 92.6 Ų | 92.6 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 173.9 | -171.6 | 82.6 | 0 | 0 | 0 | 111.5 | L699 T701 R707 | L699-L703 WeakPolarHBondContact O-CB 3.4Å; L699-L703 PolarHBondContact O-N 3.22Å; T701-L703 VanDerWaalsContact C-N 3.35Å; T701-L703 PolarHBondContact O-N 3.45Å; L703-R707 VanDerWaalsContact O-CG 3.32Å; L703-R707 WeakPolarHBondContact O-CG 3.39Å; L703-R707 PolarHBondContact O-N 2.78Å |
| 704 | S | 90 | Very high | 87.4 | Confident | 58 Ų | 58 | 94.3 Ų | 94.3 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71 | -41.2 | 179.3 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | E700 T701 D702 R707 M708 | E700-S704 WeakPolarHBondContact O-CB 3.16Å; E700-S704 PolarHBondContact O-N 2.85Å; E700-S704 VanDerWaalsContact O-N 3.08Å; E700-S704 PolarHBondContact O-OG 2.98Å; T701-S704 WeakPolarHBondContact O-CB 3.28Å; T701-S704 PolarHBondContact O-N 3.29Å; T701-S704 VanDerWaalsContact O-N 3.1Å; D702-S704 VanDerWaalsContact C-N 3.3Å; D702-S704 PolarHBondContact O-N 3.39Å; S704-R707 PolarHBondContact O-N 3.45Å; S704-M708 PolarHBondContact O-N 3.36Å; S704-M708 VanDerWaalsContact O-N 3.09Å |
| 705 | Q | 90.4 | Very high | 86.8 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 171.9 | -68.8 | -177.9 | 14.6 | 0 | 0 | 111.8 | T701 D702 R707 M708 Q709 | T701-Q705 WeakPolarHBondContact O-CG 3.38Å; T701-Q705 PolarHBondContact O-N 2.86Å; D702-Q705 PolarHBondContact O-N 3.42Å; Q705-R707 VanDerWaalsContact C-N 3.27Å; Q705-R707 PolarHBondContact O-N 3.34Å; Q705-M708 HydrophobicContact CG-CE 4.4Å; Q705-M708 PolarHBondContact O-N 3.29Å; Q705-M708 VanDerWaalsContact O-N 3.11Å; Q705-Q709 WeakPolarHBondContact O-CG 3.32Å; Q705-Q709 PolarHBondContact O-N 2.81Å |
| 706 | T | 88.2 | Confident | 85.7 | Confident | 87 Ų | 87 | 94 Ų | 94 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 177 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | D702 L710 | D702-T706 WeakPolarHBondContact O-CB 3.32Å; D702-T706 PolarHBondContact O-N 3.33Å; D702-T706 PolarHBondContact O-OG1 3.13Å; T706-L710 WeakPolarHBondContact O-CB 3.21Å; T706-L710 PolarHBondContact O-N 3.25Å |
| 707 | R | 87.6 | Confident | 84.6 | Confident | 142 Ų | 142 | 95.9 Ų | 95.9 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 174.7 | -78.1 | 170.3 | 172.8 | 160.9 | 0 | 112.6 | L703 S704 Q705 L710 L711 | L703-R707 VanDerWaalsContact O-CG 3.32Å; L703-R707 WeakPolarHBondContact O-CG 3.39Å; L703-R707 PolarHBondContact O-N 2.78Å; S704-R707 PolarHBondContact O-N 3.45Å; Q705-R707 VanDerWaalsContact C-N 3.27Å; Q705-R707 PolarHBondContact O-N 3.34Å; R707-L710 PolarHBondContact O-N 3.25Å; R707-L711 WeakPolarHBondContact O-CG 3.27Å; R707-L711 PolarHBondContact O-N 2.84Å; R707-L711 VanDerWaalsContact O-N 3.13Å |
| 708 | M | 88.8 | Confident | 83.3 | Confident | 111 Ų | 111 | 97.5 Ų | 97.5 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 176.7 | -69.8 | -171.6 | -63.9 | 0 | 0 | 111.6 | S704 Q705 L710 L711 E712 | S704-M708 PolarHBondContact O-N 3.36Å; S704-M708 VanDerWaalsContact O-N 3.09Å; Q705-M708 HydrophobicContact CG-CE 4.4Å; Q705-M708 PolarHBondContact O-N 3.29Å; Q705-M708 VanDerWaalsContact O-N 3.11Å; M708-L710 VanDerWaalsContact C-N 3.26Å; M708-L710 PolarHBondContact O-N 2.78Å; M708-L711 WeakPolarHBondContact O-CB 3.19Å; M708-L711 PolarHBondContact O-N 3.03Å; M708-E712 PolarHBondContact O-N 3.33Å |
| 709 | Q | 87.6 | Confident | 82.1 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.8 | -37.5 | 176.2 | -69.1 | 175.2 | 1.3 | 0 | 0 | 112.4 | Q705 E712 A713 | Q705-Q709 WeakPolarHBondContact O-CG 3.32Å; Q705-Q709 PolarHBondContact O-N 2.81Å; Q709-E712 PolarHBondContact O-N 3.26Å; Q709-A713 WeakPolarHBondContact O-CB 3.39Å; Q709-A713 PolarHBondContact O-N 2.84Å |
| 710 | L | 81 | Confident | 80.5 | Confident | 106 Ų | 106 | 97.4 Ų | 97.4 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 175.2 | -162.2 | 90.7 | 0 | 0 | 0 | 112.2 | T706 R707 M708 Q714 | T706-L710 WeakPolarHBondContact O-CB 3.21Å; T706-L710 PolarHBondContact O-N 3.25Å; R707-L710 PolarHBondContact O-N 3.25Å; M708-L710 VanDerWaalsContact C-N 3.26Å; M708-L710 PolarHBondContact O-N 2.78Å; L710-Q714 VanDerWaalsContact O-CG 3.29Å; L710-Q714 WeakPolarHBondContact O-CG 3.29Å; L710-Q714 PolarHBondContact O-N 3.43Å; L710-Q714 VanDerWaalsContact O-N 3.09Å |
| 711 | L | 83 | Confident | 78.9 | Confident | 109 Ų | 109 | 96.8 Ų | 96.8 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.3 | -39.4 | 177.9 | -69.5 | 168.7 | 0 | 0 | 0 | 111.9 | R707 M708 Q714 S715 | R707-L711 WeakPolarHBondContact O-CG 3.27Å; R707-L711 PolarHBondContact O-N 2.84Å; R707-L711 VanDerWaalsContact O-N 3.13Å; M708-L711 WeakPolarHBondContact O-CB 3.19Å; M708-L711 PolarHBondContact O-N 3.03Å; L711-Q714 PolarHBondContact O-N 2.98Å; L711-S715 WeakPolarHBondContact O-CB 3.46Å; L711-S715 PolarHBondContact O-N 3.48Å |
| 712 | E | 81.2 | Confident | 77.3 | Confident | 128 Ų | 128 | 99 Ų | 99 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -48.6 | 173.8 | -71.8 | 176.8 | 163.4 | 0 | 0 | 111.1 | M708 Q709 Q714 S715 D716 | M708-E712 PolarHBondContact O-N 3.33Å; Q709-E712 PolarHBondContact O-N 3.26Å; E712-Q714 VanDerWaalsContact C-N 3.28Å; E712-Q714 PolarHBondContact O-N 2.69Å; E712-S715 WeakPolarHBondContact O-CB 3.25Å; E712-S715 PolarHBondContact O-N 2.82Å; E712-S715 VanDerWaalsContact O-N 3.1Å; E712-D716 PolarHBondContact O-N 2.97Å |
| 713 | A | 75.2 | Confident | 75.5 | Confident | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -34.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q709 H717 | Q709-A713 WeakPolarHBondContact O-CB 3.39Å; Q709-A713 PolarHBondContact O-N 2.84Å; A713-H717 PolarHBondContact O-N 3.46Å |
| 714 | Q | 74.8 | Confident | 73.9 | Confident | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.3 | -39.8 | 173.6 | -74.9 | 176.1 | 6.1 | 0 | 0 | 112.5 | L710 L711 E712 H717 Q718 | L710-Q714 VanDerWaalsContact O-CG 3.29Å; L710-Q714 WeakPolarHBondContact O-CG 3.29Å; L710-Q714 PolarHBondContact O-N 3.43Å; L710-Q714 VanDerWaalsContact O-N 3.09Å; L711-Q714 PolarHBondContact O-N 2.98Å; E712-Q714 VanDerWaalsContact C-N 3.28Å; E712-Q714 PolarHBondContact O-N 2.69Å; Q714-H717 PolarHBondContact O-N 3.3Å; Q714-Q718 PolarHBondContact O-N 3Å; Q714-Q718 VanDerWaalsContact O-N 3.09Å |
| 715 | S | 77.1 | Confident | 72.1 | Confident | 50 Ų | 50 | 103.2 Ų | 103.2 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 177.1 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | L711 E712 Q718 K719 | L711-S715 WeakPolarHBondContact O-CB 3.46Å; L711-S715 PolarHBondContact O-N 3.48Å; E712-S715 WeakPolarHBondContact O-CB 3.25Å; E712-S715 PolarHBondContact O-N 2.82Å; E712-S715 VanDerWaalsContact O-N 3.1Å; S715-Q718 WeakPolarHBondContact O-CB 3.38Å; S715-Q718 PolarHBondContact O-N 3.22Å; S715-Q718 VanDerWaalsContact O-N 3.11Å; S715-K719 PolarHBondContact O-N 2.93Å; S715-K719 VanDerWaalsContact O-N 3.1Å |
| 716 | D | 71.5 | Confident | 70.3 | Confident | 89 Ų | 89 | 103.4 Ų | 103.4 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -36 | 178.8 | -74.1 | -19.7 | 0 | 0 | 0 | 112 | E712 Q718 K719 E720 | E712-D716 PolarHBondContact O-N 2.97Å; D716-Q718 VanDerWaalsContact C-N 3.29Å; D716-Q718 PolarHBondContact O-N 3.02Å; D716-K719 PolarHBondContact O-N 3.46Å; D716-K719 IonicContact OD1-NZ 3.25Å; D716-K719 PolarHBondContact OD1-NZ 2.61Å; D716-E720 WeakPolarHBondContact O-CB 3.29Å; D716-E720 PolarHBondContact O-N 3.23Å |
| 717 | H | 63.2 | Low | 68.5 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 54% | 0.537 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -32.6 | 168.6 | -101.2 | -29.7 | 0 | 0 | 0 | 113.1 | A713 Q714 E720 N721 | A713-H717 PolarHBondContact O-N 3.46Å; Q714-H717 PolarHBondContact O-N 3.3Å; H717-E720 IonicContact CE1-OE2 3.91Å; H717-E720 IonicContact ND1-OE2 3.39Å; H717-E720 PolarHBondContact ND1-OE2 2.88Å; H717-E720 VanDerWaalsContact ND1-OE2 3.11Å; H717-N721 PolarHBondContact O-N 3.2Å; H717-N721 VanDerWaalsContact O-N 3.08Å; H717-N721 PolarHBondContact O-ND2 3.39Å |
| 718 | Q | 62.9 | Low | 66.5 | Low | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.2 | -45.6 | 173.6 | -82.6 | 177.7 | -37.4 | 0 | 0 | 111.6 | Q714 S715 D716 E720 N721 D722 | Q714-Q718 PolarHBondContact O-N 3Å; Q714-Q718 VanDerWaalsContact O-N 3.09Å; S715-Q718 WeakPolarHBondContact O-CB 3.38Å; S715-Q718 PolarHBondContact O-N 3.22Å; S715-Q718 VanDerWaalsContact O-N 3.11Å; D716-Q718 VanDerWaalsContact C-N 3.29Å; D716-Q718 PolarHBondContact O-N 3.02Å; Q718-E720 VanDerWaalsContact C-N 3.31Å; Q718-E720 PolarHBondContact O-N 2.93Å; Q718-N721 PolarHBondContact O-N 3.34Å; Q718-D722 PolarHBondContact O-N 3.34Å |
| 719 | K | 67.3 | Low | 64.3 | Low | 113 Ų | 113 | 100.9 Ų | 100.9 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.6 | -42.1 | 174.6 | -63.9 | 173.1 | -164.5 | 151.9 | 0 | 112.3 | S715 D716 N721 D722 I723 | S715-K719 PolarHBondContact O-N 2.93Å; S715-K719 VanDerWaalsContact O-N 3.1Å; D716-K719 PolarHBondContact O-N 3.46Å; D716-K719 IonicContact OD1-NZ 3.25Å; D716-K719 PolarHBondContact OD1-NZ 2.61Å; K719-N721 VanDerWaalsContact C-N 3.34Å; K719-N721 PolarHBondContact O-N 3.43Å; K719-D722 PolarHBondContact O-N 3.31Å; K719-I723 VanDerWaalsContact O-CG1 3.28Å; K719-I723 WeakPolarHBondContact O-CG1 3.22Å; K719-I723 PolarHBondContact O-N 2.92Å |
| 720 | E | 57.9 | Low | 62.4 | Low | 108 Ų | 108 | 100.5 Ų | 100.5 | 51% | 0.505 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.8 | -37.4 | 178.6 | -169.8 | 179.1 | -142.3 | 0 | 0 | 112.1 | D716 H717 Q718 N724 | D716-E720 WeakPolarHBondContact O-CB 3.29Å; D716-E720 PolarHBondContact O-N 3.23Å; H717-E720 IonicContact CE1-OE2 3.91Å; H717-E720 IonicContact ND1-OE2 3.39Å; H717-E720 PolarHBondContact ND1-OE2 2.88Å; H717-E720 VanDerWaalsContact ND1-OE2 3.11Å; Q718-E720 VanDerWaalsContact C-N 3.31Å; Q718-E720 PolarHBondContact O-N 2.93Å; E720-N724 WeakPolarHBondContact O-CB 3.34Å; E720-N724 PolarHBondContact O-N 2.86Å; E720-N724 PolarHBondContact O-ND2 2.9Å |
| 721 | N | 55.9 | Low | 60.6 | Low | 105 Ų | 105 | 101.5 Ų | 101.5 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.9 | -41.3 | 172.5 | -80.2 | -68.4 | 0 | 0 | 0 | 112.3 | H717 Q718 K719 N724 A725 | H717-N721 PolarHBondContact O-N 3.2Å; H717-N721 VanDerWaalsContact O-N 3.08Å; H717-N721 PolarHBondContact O-ND2 3.39Å; Q718-N721 PolarHBondContact O-N 3.34Å; K719-N721 VanDerWaalsContact C-N 3.34Å; K719-N721 PolarHBondContact O-N 3.43Å; N721-N724 PolarHBondContact O-N 2.89Å; N721-A725 WeakPolarHBondContact O-CB 3.07Å; N721-A725 PolarHBondContact O-N 3.36Å |
| 722 | D | 58.3 | Low | 58.7 | Low | 114 Ų | 114 | 101.2 Ų | 101.2 | 61% | 0.61 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.2 | -39.6 | 179.3 | -73 | -23 | 0 | 0 | 0 | 112.4 | Q718 K719 A725 S726 | Q718-D722 PolarHBondContact O-N 3.34Å; K719-D722 PolarHBondContact O-N 3.31Å; D722-A725 PolarHBondContact O-N 2.85Å; D722-S726 PolarHBondContact O-N 2.84Å; D722-S726 VanDerWaalsContact O-N 3.08Å |
| 723 | I | 56.8 | Low | 56.9 | Low | 122 Ų | 122 | 104.5 Ų | 104.5 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.3 | -46.3 | 174 | -68.4 | 164.3 | 0 | 0 | 0 | 110.4 | K719 A725 S726 A727 | K719-I723 VanDerWaalsContact O-CG1 3.28Å; K719-I723 WeakPolarHBondContact O-CG1 3.22Å; K719-I723 PolarHBondContact O-N 2.92Å; I723-A725 PolarHBondContact O-N 3.4Å; I723-S726 PolarHBondContact O-N 3.28Å; I723-A727 PolarHBondContact O-N 2.83Å |
| 724 | N | 52.9 | Low | 55 | Low | 99 Ų | 99 | 113.5 Ų | 113.5 | 53% | 0.529 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.3 | -33.9 | 178 | -76.6 | -43.5 | 0 | 0 | 0 | 112.7 | E720 N721 S726 A727 | E720-N724 WeakPolarHBondContact O-CB 3.34Å; E720-N724 PolarHBondContact O-N 2.86Å; E720-N724 PolarHBondContact O-ND2 2.9Å; N721-N724 PolarHBondContact O-N 2.89Å; N724-S726 VanDerWaalsContact C-N 3.34Å; N724-A727 PolarHBondContact O-N 2.83Å |
| 725 | A | 53.5 | Low | 53.3 | Low | 68 Ų | 68 | 114.9 Ų | 114.9 | 56% | 0.562 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.8 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N721 D722 I723 A727 V728 | N721-A725 WeakPolarHBondContact O-CB 3.07Å; N721-A725 PolarHBondContact O-N 3.36Å; D722-A725 PolarHBondContact O-N 2.85Å; I723-A725 PolarHBondContact O-N 3.4Å; A725-A727 VanDerWaalsContact C-N 3.27Å; A725-A727 PolarHBondContact O-N 3.49Å; A725-V728 PolarHBondContact O-N 2.95Å |
| 726 | S | 52.4 | Low | 51.2 | Low | 98 Ų | 98 | 123.9 Ų | 123.9 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.7 | -19.7 | 178.5 | -170.8 | 0 | 0 | 0 | 0 | 114.2 | D722 I723 N724 V728 | D722-S726 PolarHBondContact O-N 2.84Å; D722-S726 VanDerWaalsContact O-N 3.08Å; I723-S726 PolarHBondContact O-N 3.28Å; N724-S726 VanDerWaalsContact C-N 3.34Å; S726-V728 VanDerWaalsContact C-N 3.35Å |
| 727 | A | 49.6 | Very low | 49.3 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -18.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I723 N724 A725 A729 | I723-A727 PolarHBondContact O-N 2.83Å; N724-A727 PolarHBondContact O-N 2.83Å; A725-A727 VanDerWaalsContact C-N 3.27Å; A725-A727 PolarHBondContact O-N 3.49Å; A727-A729 PolarHBondContact O-N 2.89Å |
| 728 | V | 44.9 | Very low | 48.1 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | -102.2 | 59.1 | -174 | -165.8 | 0 | 0 | 0 | 0 | 111.2 | A725 S726 P730 | A725-V728 PolarHBondContact O-N 2.95Å; S726-V728 VanDerWaalsContact C-N 3.35Å; V728-P730 WeakPolarHBondContact O-CD 3.11Å | ||
| 729 | A | 43 | Very low | 46.7 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -83.3 | 113.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A727 | A727-A729 PolarHBondContact O-N 2.89Š| ||
| 730 | P | 47.9 | Very low | 45.2 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -73.9 | 153.9 | -175.6 | 28.8 | -34.9 | 0 | 0 | 0 | 113 | V728 A732 | V728-P730 WeakPolarHBondContact O-CD 3.11Å; P730-A732 PolarHBondContact O-N 2.8Å | ||
| 731 | P | 43.3 | Very low | 44 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -63.4 | 131.6 | -171.1 | -23.2 | 34 | 0 | 0 | 0 | 114.3 | K733 | P731-K733 PolarHBondContact O-N 2.78Å; P731-K733 VanDerWaalsContact O-N 3.17Å | ||
| 732 | A | 42.7 | Very low | 43.1 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -62.2 | 113.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P730 R734 | P730-A732 PolarHBondContact O-N 2.8Å; A732-R734 PolarHBondContact O-N 2.96Å | ||
| 733 | K | 43.2 | Very low | 41.9 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -72.7 | 127.6 | 172.4 | -71.3 | -176.1 | 177.7 | 178.8 | 0 | 110.1 | P731 T735 | P731-K733 PolarHBondContact O-N 2.78Å; P731-K733 VanDerWaalsContact O-N 3.17Å; K733-T735 PolarHBondContact O-N 2.85Å | ||
| 734 | R | 36.3 | Very low | 40.9 | Very low | 247 Ų | 247 | 137.4 Ų | 137.4 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | -56.9 | 104.3 | -175.5 | -70.2 | 160.6 | 73.2 | 178.6 | 5 | 112.4 | A732 | A732-R734 PolarHBondContact O-N 2.96Š| ||
| 735 | T | 38.7 | Very low | 39.9 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.6 | 166.8 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | K733 | K733-T735 PolarHBondContact O-N 2.85Š|
| 736 | R | 33.9 | Very low | 39.2 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 140 | 176.6 | -91.3 | -178.8 | 164.9 | -177.8 | -4.8 | 110.8 | S738 | R736-S738 PolarHBondContact O-N 2.72Š|
| 737 | R | 31.7 | Very low | 38.4 | Very low | 249 Ų | 249 | 147.6 Ų | 147.6 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.6 | 175.6 | -62.9 | 175.3 | 178.5 | 179.8 | -2.5 | 110.1 | ||
| 738 | S | 38.1 | Very low | 37.8 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -121.5 | 111.9 | 151.8 | -173.3 | 0 | 0 | 0 | 0 | 106.9 | R736 N740 | R736-S738 PolarHBondContact O-N 2.72Å; S738-N740 PolarHBondContact O-N 2.77Å | ||
| 739 | T | 33.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | trans | -81.5 | 108.5 | -177.4 | 43.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 740 | N | 34.6 | Very low | 37 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -126.7 | 108 | 156.7 | -97.8 | -5.4 | 0 | 0 | 0 | 108.5 | S738 | S738-N740 PolarHBondContact O-N 2.77Š| ||
| 741 | A | 32.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 154.3 Ų | 154.3 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -88.3 | 111.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 742 | V | 37.3 | Very low | 35.9 | Very low | 129 Ų | 129 | 155.7 Ų | 155.7 | 78% | 0.782 | 83% | 0.828 | S | S | * | * | trans | -131.1 | 99.9 | 155.9 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 743 | N | 33 | Very low | 35.6 | Very low | 146 Ų | 146 | 157.7 Ų | 157.7 | 78% | 0.781 | 83% | 0.825 | S | S | * | * | trans | -82.7 | 116.3 | 172.1 | -178.3 | 19.1 | 0 | 0 | 0 | 107.7 | ||||
| 744 | N | 36.8 | Very low | 35.3 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -146.1 | 117.9 | 164.8 | -105.5 | -25.3 | 0 | 0 | 0 | 110.7 | ||||
| 745 | N | 31.9 | Very low | 35.3 | Very low | 149 Ų | 149 | 151.9 Ų | 151.9 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -109.6 | 103.6 | -168.4 | -169 | 7.9 | 0 | 0 | 0 | 107.9 | ||||
| 746 | V | 38.5 | Very low | 35.3 | Very low | 137 Ų | 137 | 154 Ų | 154 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -119.7 | 121.6 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 747 | K | 35.2 | Very low | 35.4 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -56.4 | 149.2 | -167.2 | -67.5 | 169 | 174.2 | 175.6 | 0 | 115.1 | ||||
| 748 | A | 36.4 | Very low | 35.7 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -53.3 | 148.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 749 | N | 36.7 | Very low | 35.7 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -135.9 | 84.4 | 172.6 | -158 | 12.6 | 0 | 0 | 0 | 109.3 | ||||
| 750 | S | 35.4 | Very low | 35.9 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -71.5 | 124.9 | 172.1 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 751 | K | 37.3 | Very low | 35.8 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -131.6 | 101.2 | 169.5 | -114 | -180 | 177.8 | -178.3 | 0 | 110.4 | ||||
| 752 | N | 31 | Very low | 36 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -64 | 143.9 | 157.2 | -75.8 | -10.9 | 0 | 0 | 0 | 109.2 | ||||
| 753 | N | 36.4 | Very low | 35.9 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | trans | -172.4 | 103.9 | 141.7 | -95.3 | -3.9 | 0 | 0 | 0 | 106 | ||||
| 754 | Q | 35.8 | Very low | 36 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 78% | 0.78 | 83% | 0.833 | S | S | * | * | 83.8 | 112.5 | 85.3 | -103.2 | -168.4 | -19.6 | 0 | 0 | 112.5 | |||||
| 755 | D | 36.3 | Very low | 36 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -64.7 | 141.9 | 179 | -54.5 | -79.6 | 0 | 0 | 0 | 112.7 | ||||
| 756 | H | 39.8 | Very low | 36.2 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | trans | -113.1 | 84.8 | 164 | -81.2 | -2.9 | 0 | 0 | 0 | 109.1 | S758 | H756-S758 PolarHBondContact O-N 3.47Š| ||
| 757 | S | 36.2 | Very low | 36.1 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | trans | -72.9 | 114.6 | 161.7 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 758 | S | 37.5 | Very low | 36.2 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | trans | -152.3 | 114.7 | 179 | -70.8 | 0 | 0 | 0 | 0 | 110.2 | H756 | H756-S758 PolarHBondContact O-N 3.47Š| ||
| 759 | G | 38.2 | Very low | 36.1 | Very low | 82 Ų | 82 | 152.6 Ų | 152.6 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | 142.6 | 122.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 760 | G | 36.4 | Very low | 36.1 | Very low | 76 Ų | 76 | 153.2 Ų | 153.2 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | cis | 158.3 | 102.8 | 2.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 761 | R | 33.3 | Very low | 36.2 | Very low | 234 Ų | 234 | 156.4 Ų | 156.4 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | trans | -14.3 | 126 | 170.6 | -65.2 | 171.5 | 174.8 | 174.7 | -3.1 | 115.7 | ||||
| 762 | H | 35.9 | Very low | 36.1 | Very low | 264 Ų | 264 | 153.5 Ų | 153.5 | 100% | 1.222 | 85% | 0.854 | S | S | * | * | -147.4 | 0 | 105.2 | -105.6 | -61 | 0 | 0 | 0 | 111.5 |
Retrieved 762 of 762 residues in 474.6 ms
(Link to these results)