| 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 | Q | 55.3 | Low | 67.7 | Low | 218 Ų | 218 | 100.6 Ų | 100.6 | 100% | 1.019 | 58% | 0.584 | S | S | * | * | 0 | -29.3 | 0 | -123.4 | 161.2 | 10.6 | 0 | 0 | 112.1 | |||||
| 2 | T | 59.1 | Low | 69.2 | Low | 105 Ų | 105 | 98.7 Ų | 98.7 | 64% | 0.644 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.9 | -37.5 | 177 | 43.7 | 0 | 0 | 0 | 0 | 114.9 | I4 A5 M6 | T2-I4 PolarHBondContact O-N 3.35Å; T2-A5 PolarHBondContact O-N 3.33Å; T2-M6 PolarHBondContact O-N 3.09Å; T2-M6 VanDerWaalsContact O-N 3.08Å |
| 3 | D | 60 | Low | 70.6 | Confident | 118 Ų | 118 | 99.4 Ų | 99.4 | 63% | 0.631 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.3 | -32.1 | -178.6 | -68.5 | -35.2 | 0 | 0 | 0 | 113.8 | A5 M6 A7 | D3-A5 VanDerWaalsContact C-N 3.31Å; D3-A5 PolarHBondContact O-N 2.69Å; D3-M6 PolarHBondContact O-N 2.67Å; D3-A7 WeakPolarHBondContact O-CB 3.24Å; D3-A7 PolarHBondContact O-N 2.8Å |
| 4 | I | 64.8 | Low | 71.9 | Confident | 134 Ų | 134 | 100.8 Ų | 100.8 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.8 | -32.7 | 176.5 | -60.6 | 172.9 | 0 | 0 | 0 | 110.5 | T2 S8 | T2-I4 PolarHBondContact O-N 3.35Å; I4-S8 WeakPolarHBondContact O-CB 3.18Å; I4-S8 PolarHBondContact O-N 2.86Å; I4-S8 VanDerWaalsContact O-N 3.08Å; I4-S8 PolarHBondContact O-OG 3.34Å |
| 5 | A | 63.8 | Low | 73.1 | Confident | 56 Ų | 56 | 100.8 Ų | 100.8 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.4 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T2 D3 S8 A9 | T2-A5 PolarHBondContact O-N 3.33Å; D3-A5 VanDerWaalsContact C-N 3.31Å; D3-A5 PolarHBondContact O-N 2.69Å; A5-S8 WeakPolarHBondContact CA-OG 3.33Å; A5-S8 PolarHBondContact O-OG 2.81Å; A5-A9 VanDerWaalsContact O-CB 3.28Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 3.05Å |
| 6 | M | 65.8 | Low | 74.3 | Confident | 119 Ų | 119 | 102.5 Ų | 102.5 | 59% | 0.586 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.1 | -38.9 | 172.3 | -90.7 | -160.1 | -79.8 | 0 | 0 | 112.3 | T2 D3 A9 N10 | T2-M6 PolarHBondContact O-N 3.09Å; T2-M6 VanDerWaalsContact O-N 3.08Å; D3-M6 PolarHBondContact O-N 2.67Å; M6-A9 PolarHBondContact O-N 3.48Å; M6-N10 PolarHBondContact O-N 3.4Å |
| 7 | A | 70.3 | Confident | 75.4 | Confident | 55 Ų | 55 | 102.4 Ų | 102.4 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.3 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D3 N10 V11 | D3-A7 WeakPolarHBondContact O-CB 3.24Å; D3-A7 PolarHBondContact O-N 2.8Å; A7-N10 PolarHBondContact O-N 2.92Å; A7-V11 VanDerWaalsContact O-CG2 3.27Å; A7-V11 WeakPolarHBondContact O-CG2 3.33Å; A7-V11 PolarHBondContact O-N 3.44Å |
| 8 | S | 70.4 | Confident | 76.3 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.7 | -33.6 | 176 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | I4 A5 T12 | I4-S8 WeakPolarHBondContact O-CB 3.18Å; I4-S8 PolarHBondContact O-N 2.86Å; I4-S8 VanDerWaalsContact O-N 3.08Å; I4-S8 PolarHBondContact O-OG 3.34Å; A5-S8 WeakPolarHBondContact CA-OG 3.33Å; A5-S8 PolarHBondContact O-OG 2.81Å; S8-T12 PolarHBondContact O-N 3Å; S8-T12 PolarHBondContact O-OG1 2.77Å |
| 9 | A | 75.4 | Confident | 77.3 | Confident | 50 Ų | 50 | 100.4 Ų | 100.4 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -39.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A5 M6 T12 L13 | A5-A9 VanDerWaalsContact O-CB 3.28Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 3.05Å; M6-A9 PolarHBondContact O-N 3.48Å; A9-T12 VanDerWaalsContact CA-OG1 3.25Å; A9-T12 WeakPolarHBondContact CA-OG1 3.36Å; A9-T12 PolarHBondContact O-N 2.93Å; A9-T12 PolarHBondContact O-OG1 2.91Å; A9-L13 WeakPolarHBondContact O-CB 3.25Å; A9-L13 PolarHBondContact O-N 2.72Å |
| 10 | N | 78.3 | Confident | 78.1 | Confident | 102 Ų | 102 | 98.3 Ų | 98.3 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -43.7 | 175.3 | -84.3 | -15.7 | 0 | 0 | 0 | 112.1 | M6 A7 T12 L13 E14 | M6-N10 PolarHBondContact O-N 3.4Å; A7-N10 PolarHBondContact O-N 2.92Å; N10-T12 VanDerWaalsContact C-N 3.28Å; N10-T12 PolarHBondContact O-N 2.78Å; N10-L13 PolarHBondContact O-N 2.96Å; N10-E14 WeakPolarHBondContact O-CG 3.47Å; N10-E14 PolarHBondContact O-N 2.86Å |
| 11 | V | 81.5 | Confident | 78.9 | Confident | 79 Ų | 79 | 98.7 Ų | 98.7 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -35.9 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | A7 N15 | A7-V11 VanDerWaalsContact O-CG2 3.27Å; A7-V11 WeakPolarHBondContact O-CG2 3.33Å; A7-V11 PolarHBondContact O-N 3.44Å; V11-N15 WeakPolarHBondContact O-CB 3.25Å; V11-N15 PolarHBondContact O-N 3.18Å; V11-N15 PolarHBondContact O-ND2 2.85Å |
| 12 | T | 85.5 | Confident | 80.8 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.5 | -37.8 | 175.3 | 38.3 | 0 | 0 | 0 | 0 | 112.6 | S8 A9 N10 N15 Q16 | S8-T12 PolarHBondContact O-N 3Å; S8-T12 PolarHBondContact O-OG1 2.77Å; A9-T12 VanDerWaalsContact CA-OG1 3.25Å; A9-T12 WeakPolarHBondContact CA-OG1 3.36Å; A9-T12 PolarHBondContact O-N 2.93Å; A9-T12 PolarHBondContact O-OG1 2.91Å; N10-T12 VanDerWaalsContact C-N 3.28Å; N10-T12 PolarHBondContact O-N 2.78Å; T12-N15 PolarHBondContact O-N 3.05Å; T12-Q16 VanDerWaalsContact O-CG 3.32Å; T12-Q16 WeakPolarHBondContact O-CG 3.4Å; T12-Q16 PolarHBondContact O-N 3.21Å |
| 13 | L | 87.9 | Confident | 82.6 | Confident | 108 Ų | 108 | 95.9 Ų | 95.9 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.2 | -41.1 | 175.1 | -166.4 | 70.9 | 0 | 0 | 0 | 112.2 | A9 N10 N15 Q16 L17 | A9-L13 WeakPolarHBondContact O-CB 3.25Å; A9-L13 PolarHBondContact O-N 2.72Å; N10-L13 PolarHBondContact O-N 2.96Å; L13-N15 VanDerWaalsContact C-N 3.35Å; L13-N15 PolarHBondContact O-N 3.21Å; L13-Q16 WeakPolarHBondContact O-CB 3.41Å; L13-Q16 PolarHBondContact O-N 2.76Å; L13-L17 WeakPolarHBondContact O-CB 3.14Å; L13-L17 PolarHBondContact O-N 3.37Å |
| 14 | E | 88.4 | Confident | 84.3 | Confident | 119 Ų | 119 | 95 Ų | 95 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 174.2 | -74.8 | -176.8 | 170.6 | 0 | 0 | 111.9 | N10 Q16 L17 H18 | N10-E14 WeakPolarHBondContact O-CG 3.47Å; N10-E14 PolarHBondContact O-N 2.86Å; E14-Q16 VanDerWaalsContact C-N 3.35Å; E14-L17 PolarHBondContact O-N 3.47Å; E14-H18 WeakPolarHBondContact O-CB 3.32Å; E14-H18 PolarHBondContact O-N 2.65Å; E14-H18 PolarHBondContact O-ND1 2.64Å |
| 15 | N | 90.4 | Very high | 85.8 | Confident | 101 Ų | 101 | 93.6 Ų | 93.6 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 173.8 | -75.3 | -33.8 | 0 | 0 | 0 | 112 | V11 T12 L13 S19 | V11-N15 WeakPolarHBondContact O-CB 3.25Å; V11-N15 PolarHBondContact O-N 3.18Å; V11-N15 PolarHBondContact O-ND2 2.85Å; T12-N15 PolarHBondContact O-N 3.05Å; L13-N15 VanDerWaalsContact C-N 3.35Å; L13-N15 PolarHBondContact O-N 3.21Å; N15-S19 WeakPolarHBondContact O-CB 3.22Å; N15-S19 PolarHBondContact O-N 3.4Å |
| 16 | Q | 92.6 | Very high | 87.4 | Confident | 128 Ų | 128 | 97.4 Ų | 97.4 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 173.7 | -75.9 | 176.9 | 8.1 | 0 | 0 | 112 | T12 L13 E14 S19 A20 | T12-Q16 VanDerWaalsContact O-CG 3.32Å; T12-Q16 WeakPolarHBondContact O-CG 3.4Å; T12-Q16 PolarHBondContact O-N 3.21Å; L13-Q16 WeakPolarHBondContact O-CB 3.41Å; L13-Q16 PolarHBondContact O-N 2.76Å; E14-Q16 VanDerWaalsContact C-N 3.35Å; Q16-S19 PolarHBondContact O-N 2.88Å; Q16-A20 VanDerWaalsContact O-CB 3.28Å; Q16-A20 WeakPolarHBondContact O-CB 3.46Å; Q16-A20 PolarHBondContact O-N 3.37Å |
| 17 | L | 91.6 | Very high | 88.9 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 175.3 | -170.6 | 104.5 | 0 | 0 | 0 | 111.1 | L13 E14 S19 A20 Q21 | L13-L17 WeakPolarHBondContact O-CB 3.14Å; L13-L17 PolarHBondContact O-N 3.37Å; E14-L17 PolarHBondContact O-N 3.47Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.3Å; L17-A20 PolarHBondContact O-N 2.76Å; L17-Q21 WeakPolarHBondContact O-CB 3.2Å; L17-Q21 VanDerWaalsContact O-CG 3.28Å; L17-Q21 WeakPolarHBondContact O-CG 3.21Å; L17-Q21 PolarHBondContact O-N 3.43Å |
| 18 | H | 92.9 | Very high | 90.1 | Very high | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 176.5 | -79.4 | 84.8 | 0 | 0 | 0 | 112.1 | E14 K22 | E14-H18 WeakPolarHBondContact O-CB 3.32Å; E14-H18 PolarHBondContact O-N 2.65Å; E14-H18 PolarHBondContact O-ND1 2.64Å; H18-K22 PolarHBondContact O-N 2.82Å |
| 19 | S | 94.3 | Very high | 91.4 | Very high | 60 Ų | 60 | 100.6 Ų | 100.6 | 42% | 0.42 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 174.9 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | N15 Q16 L17 Q21 K22 N23 | N15-S19 WeakPolarHBondContact O-CB 3.22Å; N15-S19 PolarHBondContact O-N 3.4Å; Q16-S19 PolarHBondContact O-N 2.88Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.3Å; S19-Q21 PolarHBondContact O-N 3.32Å; S19-K22 PolarHBondContact O-N 3.46Å; S19-N23 WeakPolarHBondContact O-CB 3.48Å; S19-N23 VanDerWaalsContact O-CG 3.26Å; S19-N23 PolarHBondContact O-N 2.88Å; S19-N23 PolarHBondContact O-ND2 3.31Å |
| 20 | A | 94.1 | Very high | 92.4 | Very high | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q16 L17 N23 L24 | Q16-A20 VanDerWaalsContact O-CB 3.28Å; Q16-A20 WeakPolarHBondContact O-CB 3.46Å; Q16-A20 PolarHBondContact O-N 3.37Å; L17-A20 PolarHBondContact O-N 2.76Å; A20-N23 PolarHBondContact O-N 2.88Å; A20-L24 WeakPolarHBondContact O-CB 2.88Å; A20-L24 PolarHBondContact O-N 2.85Å |
| 21 | Q | 94.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 174.4 | -75.4 | 174.1 | -8.7 | 0 | 0 | 112.1 | L17 S19 L24 L25 | L17-Q21 WeakPolarHBondContact O-CB 3.2Å; L17-Q21 VanDerWaalsContact O-CG 3.28Å; L17-Q21 WeakPolarHBondContact O-CG 3.21Å; L17-Q21 PolarHBondContact O-N 3.43Å; S19-Q21 PolarHBondContact O-N 3.32Å; Q21-L24 PolarHBondContact O-N 2.99Å; Q21-L25 WeakPolarHBondContact O-CB 3.44Å; Q21-L25 PolarHBondContact O-N 3.42Å |
| 22 | K | 95.8 | Very high | 94.1 | Very high | 164 Ų | 164 | 99.8 Ų | 99.8 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 173.9 | -85.8 | -176.7 | 170.3 | 175.1 | 0 | 112.4 | H18 S19 L24 L25 F26 | H18-K22 PolarHBondContact O-N 2.82Å; S19-K22 PolarHBondContact O-N 3.46Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-L25 PolarHBondContact O-N 2.86Å; K22-F26 WeakPolarHBondContact O-CB 3.49Å; K22-F26 PolarHBondContact O-N 3.41Å |
| 23 | N | 96 | Very high | 94.6 | Very high | 100 Ų | 100 | 99.9 Ų | 99.9 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177 | -72 | -20.6 | 0 | 0 | 0 | 111.6 | S19 A20 F26 L27 | S19-N23 WeakPolarHBondContact O-CB 3.48Å; S19-N23 VanDerWaalsContact O-CG 3.26Å; S19-N23 PolarHBondContact O-N 2.88Å; S19-N23 PolarHBondContact O-ND2 3.31Å; A20-N23 PolarHBondContact O-N 2.88Å; N23-F26 PolarHBondContact O-N 2.83Å; N23-L27 WeakPolarHBondContact O-CB 3.39Å; N23-L27 PolarHBondContact O-N 2.98Å |
| 24 | L | 96 | Very high | 95.1 | Very high | 100 Ų | 100 | 98.2 Ų | 98.2 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.2 | 179.1 | 62.8 | 0 | 0 | 0 | 111.1 | A20 Q21 K22 L27 Q28 | A20-L24 WeakPolarHBondContact O-CB 2.88Å; A20-L24 PolarHBondContact O-N 2.85Å; Q21-L24 PolarHBondContact O-N 2.99Å; K22-L24 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 3.49Å; L24-Q28 HydrophobicContact CD1-CG 4.4Å; L24-Q28 WeakPolarHBondContact O-CB 3.28Å; L24-Q28 VanDerWaalsContact O-CG 3.24Å; L24-Q28 WeakPolarHBondContact O-CG 3.34Å; L24-Q28 PolarHBondContact O-N 3.02Å |
| 25 | L | 96.5 | Very high | 95.5 | Very high | 105 Ų | 105 | 97.2 Ų | 97.2 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 179 | -168 | 141.9 | 0 | 0 | 0 | 111.7 | Q21 K22 Q28 Q29 | Q21-L25 WeakPolarHBondContact O-CB 3.44Å; Q21-L25 PolarHBondContact O-N 3.42Å; K22-L25 PolarHBondContact O-N 2.86Å; L25-Q28 PolarHBondContact O-N 3.41Å; L25-Q29 WeakPolarHBondContact O-CB 3.08Å; L25-Q29 PolarHBondContact O-N 3.37Å |
| 26 | F | 96.9 | Very high | 95.9 | Very high | 135 Ų | 135 | 98.9 Ų | 98.9 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.4 | -48.1 | 172.3 | 177.3 | -95.8 | 0 | 0 | 0 | 111.1 | K22 N23 Q28 Q29 D30 | K22-F26 WeakPolarHBondContact O-CB 3.49Å; K22-F26 PolarHBondContact O-N 3.41Å; N23-F26 PolarHBondContact O-N 2.83Å; F26-Q28 PolarHBondContact O-N 2.88Å; F26-Q29 PolarHBondContact O-N 2.9Å; F26-D30 WeakPolarHBondContact O-CB 3.47Å; F26-D30 PolarHBondContact O-N 3.34Å |
| 27 | L | 97.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 94.8 Ų | 94.8 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 180 | -166.6 | 66.9 | 0 | 0 | 0 | 111.9 | N23 L24 Q29 D30 H31 | N23-L27 WeakPolarHBondContact O-CB 3.39Å; N23-L27 PolarHBondContact O-N 2.98Å; L24-L27 PolarHBondContact O-N 3.49Å; L27-Q29 VanDerWaalsContact C-N 3.35Å; L27-D30 PolarHBondContact O-N 3.29Å; L27-H31 WeakPolarHBondContact O-CB 3.34Å; L27-H31 PolarHBondContact O-CD2 2.94Å; L27-H31 VanDerWaalsContact O-CD2 3.31Å; L27-H31 PolarHBondContact O-N 3.49Å |
| 28 | Q | 96.6 | Very high | 96.5 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 173.3 | -75.2 | 173.5 | -14.8 | 0 | 0 | 111.8 | L24 L25 F26 A32 | L24-Q28 HydrophobicContact CD1-CG 4.4Å; L24-Q28 WeakPolarHBondContact O-CB 3.28Å; L24-Q28 VanDerWaalsContact O-CG 3.24Å; L24-Q28 WeakPolarHBondContact O-CG 3.34Å; L24-Q28 PolarHBondContact O-N 3.02Å; L25-Q28 PolarHBondContact O-N 3.41Å; F26-Q28 PolarHBondContact O-N 2.88Å; Q28-A32 WeakPolarHBondContact O-CB 3.42Å; Q28-A32 PolarHBondContact O-N 3.43Å |
| 29 | Q | 96.9 | Very high | 96.7 | Very high | 116 Ų | 116 | 94.3 Ų | 94.3 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 176.4 | -176.9 | 128.7 | -3 | 0 | 0 | 111.6 | L25 F26 L27 A32 N33 | L25-Q29 WeakPolarHBondContact O-CB 3.08Å; L25-Q29 PolarHBondContact O-N 3.37Å; F26-Q29 PolarHBondContact O-N 2.9Å; L27-Q29 VanDerWaalsContact C-N 3.35Å; Q29-A32 PolarHBondContact O-N 3.49Å; Q29-N33 PolarHBondContact O-N 3.14Å; Q29-N33 PolarHBondContact O-ND2 3.28Å |
| 30 | D | 96.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 93.8 Ų | 93.8 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 177.5 | -165.8 | 57.5 | 0 | 0 | 0 | 111.1 | F26 L27 A32 N33 T34 | F26-D30 WeakPolarHBondContact O-CB 3.47Å; F26-D30 PolarHBondContact O-N 3.34Å; L27-D30 PolarHBondContact O-N 3.29Å; D30-A32 VanDerWaalsContact C-N 3.31Å; D30-A32 PolarHBondContact O-N 2.94Å; D30-N33 CarbonylContact O-C 3.57Å; D30-N33 WeakPolarHBondContact O-CA 3.47Å; D30-N33 WeakPolarHBondContact O-CB 3.29Å; D30-N33 PolarHBondContact O-N 3.37Å; D30-T34 PolarHBondContact O-N 3.44Å; D30-T34 PolarHBondContact O-OG1 3.11Å; D30-T34 VanDerWaalsContact O-OG1 3.09Å |
| 31 | H | 97.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 95.1 Ų | 95.1 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 173.8 | -70.6 | -176.1 | 0 | 0 | 0 | 112.4 | L27 N33 T34 L35 | L27-H31 WeakPolarHBondContact O-CB 3.34Å; L27-H31 PolarHBondContact O-CD2 2.94Å; L27-H31 VanDerWaalsContact O-CD2 3.31Å; L27-H31 PolarHBondContact O-N 3.49Å; H31-N33 VanDerWaalsContact C-N 3.29Å; H31-N33 PolarHBondContact O-N 2.85Å; H31-T34 PolarHBondContact O-N 3.01Å; H31-L35 WeakPolarHBondContact O-CB 3.43Å; H31-L35 WeakPolarHBondContact O-CG 3.49Å; H31-L35 PolarHBondContact O-N 3.33Å |
| 32 | A | 97.6 | Very high | 97.3 | Very high | 40 Ų | 40 | 94 Ų | 94 | 33% | 0.331 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -36 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q28 Q29 D30 K36 | Q28-A32 WeakPolarHBondContact O-CB 3.42Å; Q28-A32 PolarHBondContact O-N 3.43Å; Q29-A32 PolarHBondContact O-N 3.49Å; D30-A32 VanDerWaalsContact C-N 3.31Å; D30-A32 PolarHBondContact O-N 2.94Å; A32-K36 WeakPolarHBondContact O-CD 3.33Å; A32-K36 VanDerWaalsContact O-CG 3.22Å; A32-K36 WeakPolarHBondContact O-CG 3.42Å; A32-K36 PolarHBondContact O-N 3.34Å; A32-K36 VanDerWaalsContact O-N 3.11Å |
| 33 | N | 97.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 93.5 Ų | 93.5 | 42% | 0.417 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70 | -43.7 | 175.1 | -67.6 | -25.2 | 0 | 0 | 0 | 111.7 | Q29 D30 H31 L35 K36 G37 | Q29-N33 PolarHBondContact O-N 3.14Å; Q29-N33 PolarHBondContact O-ND2 3.28Å; D30-N33 CarbonylContact O-C 3.57Å; D30-N33 WeakPolarHBondContact O-CA 3.47Å; D30-N33 WeakPolarHBondContact O-CB 3.29Å; D30-N33 PolarHBondContact O-N 3.37Å; H31-N33 VanDerWaalsContact C-N 3.29Å; H31-N33 PolarHBondContact O-N 2.85Å; N33-L35 PolarHBondContact O-N 3.32Å; N33-K36 PolarHBondContact O-N 3.44Å; N33-G37 PolarHBondContact O-N 2.97Å |
| 34 | T | 97.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 94.3 Ų | 94.3 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 175.1 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | D30 H31 K36 G37 L38 | D30-T34 PolarHBondContact O-N 3.44Å; D30-T34 PolarHBondContact O-OG1 3.11Å; D30-T34 VanDerWaalsContact O-OG1 3.09Å; H31-T34 PolarHBondContact O-N 3.01Å; T34-K36 VanDerWaalsContact C-N 3.35Å; T34-K36 PolarHBondContact O-N 2.86Å; T34-G37 PolarHBondContact O-N 2.94Å; T34-G37 VanDerWaalsContact O-N 3.14Å; T34-L38 HydrophobicContact CG2-CD1 4.29Å; T34-L38 WeakPolarHBondContact O-CG 3.47Å; T34-L38 PolarHBondContact O-N 2.81Å |
| 35 | L | 97.9 | Very high | 97.6 | Very high | 97 Ų | 97 | 93.4 Ų | 93.4 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.4 | -76.2 | 171.2 | 0 | 0 | 0 | 112.4 | H31 N33 G37 L38 H39 | H31-L35 WeakPolarHBondContact O-CB 3.43Å; H31-L35 WeakPolarHBondContact O-CG 3.49Å; H31-L35 PolarHBondContact O-N 3.33Å; N33-L35 PolarHBondContact O-N 3.32Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 3.09Å; L35-L38 PolarHBondContact O-N 3.21Å; L35-H39 WeakPolarHBondContact O-CB 3.4Å; L35-H39 VanDerWaalsContact O-CG 3.3Å; L35-H39 PolarHBondContact O-N 3.25Å; L35-H39 PolarHBondContact O-ND1 3.34Å |
| 36 | K | 98 | Very high | 97.7 | Very high | 137 Ų | 137 | 93.7 Ų | 93.7 | 60% | 0.596 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 173.6 | -75 | 168.8 | -174 | 173.4 | 0 | 111.5 | A32 N33 T34 H39 A40 | A32-K36 WeakPolarHBondContact O-CD 3.33Å; A32-K36 VanDerWaalsContact O-CG 3.22Å; A32-K36 WeakPolarHBondContact O-CG 3.42Å; A32-K36 PolarHBondContact O-N 3.34Å; A32-K36 VanDerWaalsContact O-N 3.11Å; N33-K36 PolarHBondContact O-N 3.44Å; T34-K36 VanDerWaalsContact C-N 3.35Å; T34-K36 PolarHBondContact O-N 2.86Å; K36-H39 PolarHBondContact O-N 3.45Å; K36-A40 PolarHBondContact O-N 3.45Å |
| 37 | G | 98 | Very high | 97.8 | Very high | 42 Ų | 42 | 92.4 Ų | 92.4 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N33 T34 L35 H39 A40 E41 | N33-G37 PolarHBondContact O-N 2.97Å; T34-G37 PolarHBondContact O-N 2.94Å; T34-G37 VanDerWaalsContact O-N 3.14Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 3.09Å; G37-H39 PolarHBondContact O-N 3.36Å; G37-A40 WeakPolarHBondContact O-CB 3.46Å; G37-A40 PolarHBondContact O-N 2.86Å; G37-A40 VanDerWaalsContact O-N 3.16Å; G37-E41 PolarHBondContact O-N 2.98Å |
| 38 | L | 98.3 | Very high | 97.8 | Very high | 97 Ų | 97 | 93.5 Ų | 93.5 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 177 | -69.5 | 174.8 | 0 | 0 | 0 | 112.1 | T34 L35 A40 E41 I42 | T34-L38 HydrophobicContact CG2-CD1 4.29Å; T34-L38 WeakPolarHBondContact O-CG 3.47Å; T34-L38 PolarHBondContact O-N 2.81Å; L35-L38 PolarHBondContact O-N 3.21Å; L38-A40 VanDerWaalsContact C-N 3.29Å; L38-A40 PolarHBondContact O-N 3.18Å; L38-E41 PolarHBondContact O-N 2.91Å; L38-I42 VanDerWaalsContact O-CG1 3.29Å; L38-I42 WeakPolarHBondContact O-CG1 3.44Å; L38-I42 PolarHBondContact O-N 3.47Å |
| 39 | H | 98.2 | Very high | 97.9 | Very high | 100 Ų | 100 | 91.7 Ų | 91.7 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64 | -33.8 | 175.5 | -69.9 | 153.8 | 0 | 0 | 0 | 112.8 | L35 K36 G37 R43 | L35-H39 WeakPolarHBondContact O-CB 3.4Å; L35-H39 VanDerWaalsContact O-CG 3.3Å; L35-H39 PolarHBondContact O-N 3.25Å; L35-H39 PolarHBondContact O-ND1 3.34Å; K36-H39 PolarHBondContact O-N 3.45Å; G37-H39 PolarHBondContact O-N 3.36Å; H39-R43 WeakPolarHBondContact O-CB 3.4Å; H39-R43 WeakPolarHBondContact O-CG 3.45Å; H39-R43 PolarHBondContact O-N 2.87Å; H39-R43 VanDerWaalsContact O-N 3.09Å; H39-R43 PolarHBondContact O-NE 3.44Å |
| 40 | A | 98.2 | Very high | 97.9 | Very high | 50 Ų | 50 | 90.1 Ų | 90.1 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K36 G37 L38 R43 R44 | K36-A40 PolarHBondContact O-N 3.45Å; G37-A40 WeakPolarHBondContact O-CB 3.46Å; G37-A40 PolarHBondContact O-N 2.86Å; G37-A40 VanDerWaalsContact O-N 3.16Å; L38-A40 VanDerWaalsContact C-N 3.29Å; L38-A40 PolarHBondContact O-N 3.18Å; A40-R43 PolarHBondContact O-N 2.87Å; A40-R44 WeakPolarHBondContact O-CB 3.49Å; A40-R44 PolarHBondContact O-N 3.2Å |
| 41 | E | 98.2 | Very high | 97.9 | Very high | 85 Ų | 85 | 90.7 Ų | 90.7 | 40% | 0.397 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 179 | -172.2 | 57.7 | -159.7 | 0 | 0 | 112.6 | G37 L38 R43 R44 L45 | G37-E41 PolarHBondContact O-N 2.98Å; L38-E41 PolarHBondContact O-N 2.91Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 3.32Å; E41-R44 WeakPolarHBondContact O-CB 3.22Å; E41-R44 PolarHBondContact O-N 3.4Å; E41-R44 IonicContact OE1-CZ 3.77Å; E41-R44 VanDerWaalsContact OE1-CZ 3.25Å; E41-R44 IonicContact OE1-NE 3.94Å; E41-R44 PolarHBondContact OE1-NE 3.16Å; E41-R44 IonicContact OE1-NH2 3.9Å; E41-R44 PolarHBondContact OE1-NH2 2.93Å; E41-R44 IonicContact OE2-CZ 2.65Å; E41-R44 IonicContact OE2-NE 3.76Å; E41-R44 PolarHBondContact OE2-NE 3.02Å; E41-L45 HydrophobicContact CG-CD1 4.34Å; E41-L45 PolarHBondContact O-N 3.37Å |
| 42 | I | 98.2 | Very high | 97.8 | Very high | 83 Ų | 83 | 90.3 Ų | 90.3 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 172.7 | -70.4 | 165.5 | 0 | 0 | 0 | 109.9 | L38 R44 L45 Q46 | L38-I42 VanDerWaalsContact O-CG1 3.29Å; L38-I42 WeakPolarHBondContact O-CG1 3.44Å; L38-I42 PolarHBondContact O-N 3.47Å; I42-R44 VanDerWaalsContact C-N 3.33Å; I42-R44 PolarHBondContact O-N 3.49Å; I42-L45 PolarHBondContact O-N 2.95Å; I42-Q46 HydrophobicContact CG2-CG 4.28Å; I42-Q46 WeakPolarHBondContact O-CB 3.48Å; I42-Q46 WeakPolarHBondContact O-CG 3.42Å; I42-Q46 PolarHBondContact O-N 2.85Å |
| 43 | R | 98.3 | Very high | 97.7 | Very high | 153 Ų | 153 | 92.4 Ų | 92.4 | 58% | 0.577 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 176.4 | -77.8 | -175.1 | -72.1 | -107.4 | -0.4 | 112.2 | H39 A40 E41 Q46 Q47 | H39-R43 WeakPolarHBondContact O-CB 3.4Å; H39-R43 WeakPolarHBondContact O-CG 3.45Å; H39-R43 PolarHBondContact O-N 2.87Å; H39-R43 VanDerWaalsContact O-N 3.09Å; H39-R43 PolarHBondContact O-NE 3.44Å; A40-R43 PolarHBondContact O-N 2.87Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 3.32Å; R43-Q46 PolarHBondContact O-N 3.18Å; R43-Q47 WeakPolarHBondContact O-CB 3.46Å; R43-Q47 PolarHBondContact O-N 3.33Å |
| 44 | R | 98.4 | Very high | 97.5 | Very high | 117 Ų | 117 | 96.5 Ų | 96.5 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 176.9 | -166.5 | -164.7 | 69.5 | 69.2 | 1.3 | 111.6 | A40 E41 I42 Q47 Q48 | A40-R44 WeakPolarHBondContact O-CB 3.49Å; A40-R44 PolarHBondContact O-N 3.2Å; E41-R44 WeakPolarHBondContact O-CB 3.22Å; E41-R44 PolarHBondContact O-N 3.4Å; E41-R44 IonicContact OE1-CZ 3.77Å; E41-R44 VanDerWaalsContact OE1-CZ 3.25Å; E41-R44 IonicContact OE1-NE 3.94Å; E41-R44 PolarHBondContact OE1-NE 3.16Å; E41-R44 IonicContact OE1-NH2 3.9Å; E41-R44 PolarHBondContact OE1-NH2 2.93Å; E41-R44 IonicContact OE2-CZ 2.65Å; E41-R44 IonicContact OE2-NE 3.76Å; E41-R44 PolarHBondContact OE2-NE 3.02Å; I42-R44 VanDerWaalsContact C-N 3.33Å; I42-R44 PolarHBondContact O-N 3.49Å; R44-Q47 PolarHBondContact O-N 3.3Å; R44-Q48 WeakPolarHBondContact O-CB 3.36Å; R44-Q48 PolarHBondContact O-N 3.07Å |
| 45 | L | 98.4 | Very high | 97.2 | Very high | 81 Ų | 81 | 97.4 Ų | 97.4 | 42% | 0.424 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 177 | -77 | 167.6 | 0 | 0 | 0 | 111.9 | E41 I42 Q47 Q48 C49 | E41-L45 HydrophobicContact CG-CD1 4.34Å; E41-L45 PolarHBondContact O-N 3.37Å; I42-L45 PolarHBondContact O-N 2.95Å; L45-Q47 VanDerWaalsContact C-N 3.32Å; L45-Q47 PolarHBondContact O-N 2.79Å; L45-Q48 PolarHBondContact O-N 2.78Å; L45-C49 WeakPolarHBondContact O-CB 3.33Å; L45-C49 PolarHBondContact O-N 2.72Å; L45-C49 PolarHBondContact O-SG 3.01Å; L45-C49 VanDerWaalsContact O-SG 3.34Å |
| 46 | Q | 98.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 175.1 | -76.2 | 171.3 | -25.5 | 0 | 0 | 111.4 | I42 R43 C49 T50 | I42-Q46 HydrophobicContact CG2-CG 4.28Å; I42-Q46 WeakPolarHBondContact O-CB 3.48Å; I42-Q46 WeakPolarHBondContact O-CG 3.42Å; I42-Q46 PolarHBondContact O-N 2.85Å; R43-Q46 PolarHBondContact O-N 3.18Å; Q46-C49 PolarHBondContact O-N 3.49Å; Q46-T50 WeakPolarHBondContact O-CB 3.45Å; Q46-T50 PolarHBondContact O-N 3.44Å; Q46-T50 PolarHBondContact O-OG1 2.98Å |
| 47 | Q | 97.8 | Very high | 96.1 | Very high | 108 Ų | 108 | 95.1 Ų | 95.1 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 174.3 | -172.7 | 62.6 | 54.6 | 0 | 0 | 110.8 | R43 R44 L45 C49 T50 D51 | R43-Q47 WeakPolarHBondContact O-CB 3.46Å; R43-Q47 PolarHBondContact O-N 3.33Å; R44-Q47 PolarHBondContact O-N 3.3Å; L45-Q47 VanDerWaalsContact C-N 3.32Å; L45-Q47 PolarHBondContact O-N 2.79Å; Q47-C49 VanDerWaalsContact C-N 3.34Å; Q47-C49 PolarHBondContact O-N 2.69Å; Q47-T50 CarbonylContact O-C 3.59Å; Q47-T50 WeakPolarHBondContact O-CA 3.47Å; Q47-T50 WeakPolarHBondContact O-CB 3.19Å; Q47-T50 PolarHBondContact O-N 2.94Å; Q47-D51 PolarHBondContact NE2-OD1 2.77Å; Q47-D51 PolarHBondContact O-N 3.46Å |
| 48 | Q | 97.9 | Very high | 95.4 | Very high | 105 Ų | 105 | 95.4 Ų | 95.4 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 179.3 | -172.4 | 179.4 | -16 | 0 | 0 | 112.7 | R44 L45 T50 D51 L52 | R44-Q48 WeakPolarHBondContact O-CB 3.36Å; R44-Q48 PolarHBondContact O-N 3.07Å; L45-Q48 PolarHBondContact O-N 2.78Å; Q48-T50 VanDerWaalsContact C-N 3.33Å; Q48-D51 PolarHBondContact O-N 3.5Å; Q48-L52 WeakPolarHBondContact O-CB 3.49Å; Q48-L52 PolarHBondContact O-N 2.86Å |
| 49 | C | 97.9 | Very high | 94.5 | Very high | 77 Ų | 77 | 99.2 Ų | 99.2 | 52% | 0.52 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 173.9 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | L45 Q46 Q47 T53 | L45-C49 WeakPolarHBondContact O-CB 3.33Å; L45-C49 PolarHBondContact O-N 2.72Å; L45-C49 PolarHBondContact O-SG 3.01Å; L45-C49 VanDerWaalsContact O-SG 3.34Å; Q46-C49 PolarHBondContact O-N 3.49Å; Q47-C49 VanDerWaalsContact C-N 3.34Å; Q47-C49 PolarHBondContact O-N 2.69Å; C49-T53 VanDerWaalsContact O-CB 3.25Å; C49-T53 WeakPolarHBondContact O-CB 3.34Å; C49-T53 PolarHBondContact O-N 2.89Å; C49-T53 PolarHBondContact O-OG1 3.5Å |
| 50 | T | 97.3 | Very high | 93 | Very high | 84 Ų | 84 | 99.1 Ų | 99.1 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 176.8 | -54 | 0 | 0 | 0 | 0 | 110.8 | Q46 Q47 Q48 T53 Y54 | Q46-T50 WeakPolarHBondContact O-CB 3.45Å; Q46-T50 PolarHBondContact O-N 3.44Å; Q46-T50 PolarHBondContact O-OG1 2.98Å; Q47-T50 CarbonylContact O-C 3.59Å; Q47-T50 WeakPolarHBondContact O-CA 3.47Å; Q47-T50 WeakPolarHBondContact O-CB 3.19Å; Q47-T50 PolarHBondContact O-N 2.94Å; Q48-T50 VanDerWaalsContact C-N 3.33Å; T50-T53 PolarHBondContact O-N 3.42Å; T50-Y54 WeakPolarHBondContact O-CB 3.22Å; T50-Y54 PolarHBondContact O-N 3.38Å |
| 51 | D | 96.4 | Very high | 91.5 | Very high | 83 Ų | 83 | 100.4 Ų | 100.4 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.1 | -64.7 | -18.2 | 0 | 0 | 0 | 111.3 | Q47 Q48 Y54 E55 | Q47-D51 PolarHBondContact NE2-OD1 2.77Å; Q47-D51 PolarHBondContact O-N 3.46Å; Q48-D51 PolarHBondContact O-N 3.5Å; D51-Y54 CarbonylContact O-C 3.4Å; D51-Y54 WeakPolarHBondContact O-CB 3.01Å; D51-Y54 PolarHBondContact O-N 2.91Å; D51-E55 WeakPolarHBondContact O-CB 3.28Å; D51-E55 PolarHBondContact O-N 3.42Å |
| 52 | L | 96.3 | Very high | 89.7 | Confident | 95 Ų | 95 | 101 Ų | 101 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177 | -174.5 | 65.9 | 0 | 0 | 0 | 111.8 | Q48 Y54 E55 L56 | Q48-L52 WeakPolarHBondContact O-CB 3.49Å; Q48-L52 PolarHBondContact O-N 2.86Å; L52-Y54 VanDerWaalsContact C-N 3.32Å; L52-E55 PolarHBondContact O-N 3.35Å; L52-L56 HydrophobicContact CG-CD1 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.39Å; L52-L56 PolarHBondContact O-N 3.22Å |
| 53 | T | 94.5 | Very high | 87.9 | Confident | 83 Ų | 83 | 100.5 Ų | 100.5 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.7 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | C49 T50 T57 | C49-T53 VanDerWaalsContact O-CB 3.25Å; C49-T53 WeakPolarHBondContact O-CB 3.34Å; C49-T53 PolarHBondContact O-N 2.89Å; C49-T53 PolarHBondContact O-OG1 3.5Å; T50-T53 PolarHBondContact O-N 3.42Å; T53-T57 VanDerWaalsContact O-CB 3.25Å; T53-T57 WeakPolarHBondContact O-CB 3.4Å; T53-T57 PolarHBondContact O-N 2.93Å; T53-T57 PolarHBondContact O-OG1 3.03Å |
| 54 | Y | 94.2 | Very high | 86.1 | Confident | 164 Ų | 164 | 96.1 Ų | 96.1 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 173.2 | -180 | -98.2 | 0 | 0 | 0 | 110.9 | T50 D51 L52 L56 T57 V58 | T50-Y54 WeakPolarHBondContact O-CB 3.22Å; T50-Y54 PolarHBondContact O-N 3.38Å; D51-Y54 CarbonylContact O-C 3.4Å; D51-Y54 WeakPolarHBondContact O-CB 3.01Å; D51-Y54 PolarHBondContact O-N 2.91Å; L52-Y54 VanDerWaalsContact C-N 3.32Å; Y54-L56 PolarHBondContact O-N 3.21Å; Y54-T57 PolarHBondContact O-N 3.37Å; Y54-V58 HydrophobicContact CD1-CG2 4Å; Y54-V58 HydrophobicContact CD2-CG2 3.92Å; Y54-V58 HydrophobicContact CE1-CG2 3.66Å; Y54-V58 HydrophobicContact CE2-CG2 3.57Å; Y54-V58 HydrophobicContact CG-CG2 4.12Å; Y54-V58 VanDerWaalsContact CZ-CG2 3.43Å; Y54-V58 WeakPolarHBondContact O-CB 2.99Å; Y54-V58 WeakPolarHBondContact O-CG2 3.49Å; Y54-V58 PolarHBondContact O-N 3.01Å |
| 55 | E | 90.1 | Very high | 84.2 | Confident | 93 Ų | 93 | 94.9 Ų | 94.9 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 177 | -169.5 | -170.9 | 151.9 | 0 | 0 | 111.5 | D51 L52 R59 | D51-E55 WeakPolarHBondContact O-CB 3.28Å; D51-E55 PolarHBondContact O-N 3.42Å; L52-E55 PolarHBondContact O-N 3.35Å; E55-R59 HydrophobicContact CG-CG 4.21Å; E55-R59 WeakPolarHBondContact O-CB 3.32Å; E55-R59 WeakPolarHBondContact O-CG 3.5Å; E55-R59 PolarHBondContact O-N 3.05Å; E55-R59 IonicContact OE1-NH1 2.66Å; E55-R59 PolarHBondContact OE1-NH1 3.04Å |
| 56 | L | 88.8 | Confident | 82.8 | Confident | 111 Ų | 111 | 95 Ų | 95 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -45.2 | 177.9 | -72.5 | 173.3 | 0 | 0 | 0 | 111.8 | L52 Y54 S60 | L52-L56 HydrophobicContact CG-CD1 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.39Å; L52-L56 PolarHBondContact O-N 3.22Å; Y54-L56 PolarHBondContact O-N 3.21Å; L56-S60 WeakPolarHBondContact O-CB 3.38Å; L56-S60 PolarHBondContact O-N 3.4Å; L56-S60 PolarHBondContact O-OG 3.26Å |
| 57 | T | 85.8 | Confident | 82 | Confident | 76 Ų | 76 | 93 Ų | 93 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -51.5 | 178.6 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | T53 Y54 S60 S61 | T53-T57 VanDerWaalsContact O-CB 3.25Å; T53-T57 WeakPolarHBondContact O-CB 3.4Å; T53-T57 PolarHBondContact O-N 2.93Å; T53-T57 PolarHBondContact O-OG1 3.03Å; Y54-T57 PolarHBondContact O-N 3.37Å; T57-S60 WeakPolarHBondContact CA-OG 3.27Å; T57-S60 CarbonylContact O-C 3.6Å; T57-S60 PolarHBondContact O-N 2.82Å; T57-S60 PolarHBondContact O-OG 3.38Å; T57-S61 WeakPolarHBondContact O-CB 3.46Å; T57-S61 PolarHBondContact O-N 2.86Å; T57-S61 PolarHBondContact O-OG 2.79Å |
| 58 | V | 83.2 | Confident | 81.4 | Confident | 48 Ų | 48 | 92.8 Ų | 92.8 | 29% | 0.291 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.9 | -53.9 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | Y54 S60 S61 D62 | Y54-V58 HydrophobicContact CD1-CG2 4Å; Y54-V58 HydrophobicContact CD2-CG2 3.92Å; Y54-V58 HydrophobicContact CE1-CG2 3.66Å; Y54-V58 HydrophobicContact CE2-CG2 3.57Å; Y54-V58 HydrophobicContact CG-CG2 4.12Å; Y54-V58 VanDerWaalsContact CZ-CG2 3.43Å; Y54-V58 WeakPolarHBondContact O-CB 2.99Å; Y54-V58 WeakPolarHBondContact O-CG2 3.49Å; Y54-V58 PolarHBondContact O-N 3.01Å; V58-S60 PolarHBondContact O-N 2.86Å; V58-S61 WeakPolarHBondContact CA-OG 3.28Å; V58-S61 CarbonylContact O-C 3.58Å; V58-S61 PolarHBondContact O-N 2.88Å; V58-S61 PolarHBondContact O-OG 3.23Å; V58-D62 WeakPolarHBondContact O-CA 3.15Å; V58-D62 WeakPolarHBondContact O-CB 3.42Å; V58-D62 PolarHBondContact O-N 2.66Å |
| 59 | R | 78.1 | Confident | 80.9 | Confident | 176 Ų | 176 | 93.2 Ų | 93.2 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -24.4 | 179.7 | -67.9 | -176.1 | 88.8 | 174.5 | 5.4 | 114.2 | E55 | E55-R59 HydrophobicContact CG-CG 4.21Å; E55-R59 WeakPolarHBondContact O-CB 3.32Å; E55-R59 WeakPolarHBondContact O-CG 3.5Å; E55-R59 PolarHBondContact O-N 3.05Å; E55-R59 IonicContact OE1-NH1 2.66Å; E55-R59 PolarHBondContact OE1-NH1 3.04Å |
| 60 | S | 66.5 | Low | 80.6 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 69% | 0.685 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -83.8 | -28.1 | 173 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | L56 T57 V58 | L56-S60 WeakPolarHBondContact O-CB 3.38Å; L56-S60 PolarHBondContact O-N 3.4Å; L56-S60 PolarHBondContact O-OG 3.26Å; T57-S60 WeakPolarHBondContact CA-OG 3.27Å; T57-S60 CarbonylContact O-C 3.6Å; T57-S60 PolarHBondContact O-N 2.82Å; T57-S60 PolarHBondContact O-OG 3.38Å; V58-S60 PolarHBondContact O-N 2.86Å |
| 61 | S | 67.7 | Low | 80.3 | Confident | 77 Ų | 77 | 97.5 Ų | 97.5 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -95.2 | -9.5 | 177.7 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | T57 V58 P63 | T57-S61 WeakPolarHBondContact O-CB 3.46Å; T57-S61 PolarHBondContact O-N 2.86Å; T57-S61 PolarHBondContact O-OG 2.79Å; V58-S61 WeakPolarHBondContact CA-OG 3.28Å; V58-S61 CarbonylContact O-C 3.58Å; V58-S61 PolarHBondContact O-N 2.88Å; V58-S61 PolarHBondContact O-OG 3.23Å; S61-P63 VanDerWaalsContact C-CD 3.43Å; S61-P63 WeakPolarHBondContact O-CD 3.34Å |
| 62 | D | 59.8 | Low | 80.1 | Confident | 97 Ų | 97 | 100.8 Ų | 100.8 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -84.8 | 93.9 | 168.4 | -161.4 | 14.3 | 0 | 0 | 0 | 103.1 | V58 S64 | V58-D62 WeakPolarHBondContact O-CA 3.15Å; V58-D62 WeakPolarHBondContact O-CB 3.42Å; V58-D62 PolarHBondContact O-N 2.66Å; D62-S64 PolarHBondContact O-N 3.03Å |
| 63 | P | 59.5 | Low | 80.1 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | trans | -63.1 | 85.4 | 161.7 | 31.3 | -34.6 | 0 | 0 | 0 | 103.6 | S61 D65 | S61-P63 VanDerWaalsContact C-CD 3.43Å; S61-P63 WeakPolarHBondContact O-CD 3.34Å; P63-D65 PolarHBondContact O-N 3.01Å | ||
| 64 | S | 61.2 | Low | 80.2 | Confident | 61 Ų | 61 | 101.2 Ų | 101.2 | 43% | 0.427 | 52% | 0.522 | S | S | . | . | trans | -63.5 | 81.7 | 156.6 | -171.5 | 0 | 0 | 0 | 0 | 103.4 | D62 S66 S67 E68 | D62-S64 PolarHBondContact O-N 3.03Å; S64-S66 PolarHBondContact O-N 3.03Å; S64-S66 VanDerWaalsContact O-N 3.07Å; S64-S67 PolarHBondContact O-N 2.89Å; S64-E68 PolarHBondContact O-N 3.32Å | ||
| 65 | D | 59.3 | Low | 80.4 | Confident | 90 Ų | 90 | 98.8 Ų | 98.8 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -48.8 | -37.2 | 176.4 | -83.1 | -30.7 | 0 | 0 | 0 | 106.6 | P63 S67 E68 E69 | P63-D65 PolarHBondContact O-N 3.01Å; D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 PolarHBondContact O-N 3.13Å; D65-E68 PolarHBondContact O-N 3.21Å; D65-E69 HydrophobicContact CB-CG 4.33Å; D65-E69 WeakPolarHBondContact O-CA 3.35Å; D65-E69 WeakPolarHBondContact O-CB 3.34Å; D65-E69 WeakPolarHBondContact O-CG 3.38Å; D65-E69 PolarHBondContact O-N 3.42Å |
| 66 | S | 69.2 | Low | 80.8 | Confident | 84 Ų | 84 | 101.4 Ų | 101.4 | 59% | 0.587 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -50.2 | -40.9 | 171.4 | -170.9 | 0 | 0 | 0 | 0 | 115.6 | S64 R70 | S64-S66 PolarHBondContact O-N 3.03Å; S64-S66 VanDerWaalsContact O-N 3.07Å; S66-R70 WeakPolarHBondContact O-CB 3.42Å; S66-R70 PolarHBondContact O-N 2.86Å; S66-R70 VanDerWaalsContact O-N 3.15Å |
| 67 | S | 81.1 | Confident | 81.2 | Confident | 70 Ų | 70 | 104 Ų | 104 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -79.5 | -45.1 | 179.6 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | S64 D65 R70 C71 | S64-S67 PolarHBondContact O-N 2.89Å; D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 PolarHBondContact O-N 3.13Å; S67-R70 PolarHBondContact O-N 3.37Å; S67-C71 PolarHBondContact O-N 2.93Å; S67-C71 PolarHBondContact O-SG 3.49Å |
| 68 | E | 85.4 | Confident | 81.8 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.7 | -42.9 | 178.2 | -72.4 | -166 | -173 | 0 | 0 | 112.2 | S64 D65 R70 C71 R72 | S64-E68 PolarHBondContact O-N 3.32Å; D65-E68 PolarHBondContact O-N 3.21Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 3.27Å; E68-C71 WeakPolarHBondContact O-CB 3.48Å; E68-C71 PolarHBondContact O-N 3.35Å; E68-R72 WeakPolarHBondContact O-CG 3.36Å; E68-R72 PolarHBondContact O-N 2.89Å; E68-R72 IonicContact OE2-NH2 3.52Å; E68-R72 PolarHBondContact OE2-NH2 3.47Å |
| 69 | E | 87.8 | Confident | 82.5 | Confident | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 173 | -68.4 | 171.3 | 164.1 | 0 | 0 | 110.8 | D65 C71 R72 E73 | D65-E69 HydrophobicContact CB-CG 4.33Å; D65-E69 WeakPolarHBondContact O-CA 3.35Å; D65-E69 WeakPolarHBondContact O-CB 3.34Å; D65-E69 WeakPolarHBondContact O-CG 3.38Å; D65-E69 PolarHBondContact O-N 3.42Å; E69-C71 VanDerWaalsContact C-N 3.33Å; E69-C71 PolarHBondContact O-N 2.9Å; E69-R72 PolarHBondContact O-N 3.48Å; E69-E73 VanDerWaalsContact O-CB 3.32Å; E69-E73 WeakPolarHBondContact O-CB 3.41Å; E69-E73 PolarHBondContact O-N 2.8Å |
| 70 | R | 89.9 | Confident | 83.5 | Confident | 176 Ų | 176 | 102.8 Ų | 102.8 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 174.1 | 179.3 | 175.3 | -179.5 | 161 | 0.7 | 111.9 | S66 S67 E68 E73 L74 | S66-R70 WeakPolarHBondContact O-CB 3.42Å; S66-R70 PolarHBondContact O-N 2.86Å; S66-R70 VanDerWaalsContact O-N 3.15Å; S67-R70 PolarHBondContact O-N 3.37Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 3.27Å; R70-E73 PolarHBondContact O-N 3.28Å; R70-L74 HydrophobicContact CG-CD1 4.19Å; R70-L74 WeakPolarHBondContact O-CB 3.35Å; R70-L74 VanDerWaalsContact O-CG 3.28Å; R70-L74 WeakPolarHBondContact O-CG 3.47Å; R70-L74 PolarHBondContact O-N 3.15Å |
| 71 | C | 90.6 | Very high | 85 | Confident | 75 Ų | 75 | 102.8 Ų | 102.8 | 51% | 0.507 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 174.5 | -70.9 | 0 | 0 | 0 | 0 | 111.4 | S67 E68 E69 E73 L74 Q75 | S67-C71 PolarHBondContact O-N 2.93Å; S67-C71 PolarHBondContact O-SG 3.49Å; E68-C71 WeakPolarHBondContact O-CB 3.48Å; E68-C71 PolarHBondContact O-N 3.35Å; E69-C71 VanDerWaalsContact C-N 3.33Å; E69-C71 PolarHBondContact O-N 2.9Å; C71-E73 PolarHBondContact O-N 3.47Å; C71-L74 PolarHBondContact O-N 3.48Å; C71-Q75 WeakPolarHBondContact O-CB 3.4Å; C71-Q75 PolarHBondContact O-N 3.18Å |
| 72 | R | 94.1 | Very high | 86.5 | Confident | 152 Ų | 152 | 105.2 Ų | 105.2 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -39 | 176.4 | -68.9 | 177 | -163.7 | 171.9 | 10.9 | 112.2 | E68 E69 Q75 R76 | E68-R72 WeakPolarHBondContact O-CG 3.36Å; E68-R72 PolarHBondContact O-N 2.89Å; E68-R72 IonicContact OE2-NH2 3.52Å; E68-R72 PolarHBondContact OE2-NH2 3.47Å; E69-R72 PolarHBondContact O-N 3.48Å; R72-Q75 PolarHBondContact O-N 2.65Å; R72-R76 WeakPolarHBondContact O-CB 3.32Å; R72-R76 PolarHBondContact O-N 3Å |
| 73 | E | 95.9 | Very high | 88.3 | Confident | 96 Ų | 96 | 103.3 Ų | 103.3 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 175.9 | -176.2 | 59 | -144.8 | 0 | 0 | 111.4 | E69 R70 C71 Q75 R76 R77 | E69-E73 VanDerWaalsContact O-CB 3.32Å; E69-E73 WeakPolarHBondContact O-CB 3.41Å; E69-E73 PolarHBondContact O-N 2.8Å; R70-E73 PolarHBondContact O-N 3.28Å; C71-E73 PolarHBondContact O-N 3.47Å; E73-Q75 VanDerWaalsContact C-N 3.31Å; E73-Q75 PolarHBondContact O-N 3.31Å; E73-R76 PolarHBondContact O-N 3.01Å; E73-R76 IonicContact OE1-NH1 3.25Å; E73-R76 IonicContact OE2-CZ 3.98Å; E73-R76 IonicContact OE2-NH1 3.01Å; E73-R76 PolarHBondContact OE2-NH1 3.28Å; E73-R76 IonicContact OE2-NH2 3.18Å; E73-R77 WeakPolarHBondContact O-CB 3.28Å; E73-R77 PolarHBondContact O-N 2.95Å |
| 74 | L | 96.6 | Very high | 90.2 | Very high | 91 Ų | 91 | 104.3 Ų | 104.3 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 174.5 | -75.1 | 172.1 | 0 | 0 | 0 | 111.2 | R70 C71 R77 C78 | R70-L74 HydrophobicContact CG-CD1 4.19Å; R70-L74 WeakPolarHBondContact O-CB 3.35Å; R70-L74 VanDerWaalsContact O-CG 3.28Å; R70-L74 WeakPolarHBondContact O-CG 3.47Å; R70-L74 PolarHBondContact O-N 3.15Å; C71-L74 PolarHBondContact O-N 3.48Å; L74-R77 PolarHBondContact O-N 3.08Å; L74-C78 WeakPolarHBondContact O-CB 3.27Å; L74-C78 PolarHBondContact O-N 2.77Å; L74-C78 PolarHBondContact O-SG 3.35Å |
| 75 | Q | 97.4 | Very high | 92 | Very high | 114 Ų | 114 | 106.1 Ų | 106.1 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 176.2 | -175.7 | 177.9 | -14 | 0 | 0 | 111.4 | C71 R72 E73 R77 C78 E79 | C71-Q75 WeakPolarHBondContact O-CB 3.4Å; C71-Q75 PolarHBondContact O-N 3.18Å; R72-Q75 PolarHBondContact O-N 2.65Å; E73-Q75 VanDerWaalsContact C-N 3.31Å; E73-Q75 PolarHBondContact O-N 3.31Å; Q75-R77 VanDerWaalsContact C-N 3.26Å; Q75-R77 PolarHBondContact O-N 3.26Å; Q75-C78 WeakPolarHBondContact O-CB 3.01Å; Q75-C78 PolarHBondContact O-N 3.45Å; Q75-C78 VanDerWaalsContact O-N 3.13Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.41Å; Q75-E79 PolarHBondContact NE2-OE1 3.4Å; Q75-E79 WeakPolarHBondContact O-CG 3.46Å; Q75-E79 PolarHBondContact O-N 3.08Å |
| 76 | R | 98 | Very high | 93.9 | Very high | 147 Ų | 147 | 107.9 Ų | 107.9 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.5 | -40.7 | 175.8 | -166.6 | -166.4 | -58.5 | 131.5 | 7 | 111.5 | R72 E73 E79 E80 | R72-R76 WeakPolarHBondContact O-CB 3.32Å; R72-R76 PolarHBondContact O-N 3Å; E73-R76 PolarHBondContact O-N 3.01Å; E73-R76 IonicContact OE1-NH1 3.25Å; E73-R76 IonicContact OE2-CZ 3.98Å; E73-R76 IonicContact OE2-NH1 3.01Å; E73-R76 PolarHBondContact OE2-NH1 3.28Å; E73-R76 IonicContact OE2-NH2 3.18Å; R76-E79 PolarHBondContact O-N 3.39Å; R76-E80 WeakPolarHBondContact O-CB 3.33Å; R76-E80 PolarHBondContact O-N 2.84Å |
| 77 | R | 98.1 | Very high | 95.3 | Very high | 165 Ų | 165 | 109.9 Ų | 109.9 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.4 | -37.6 | 177.7 | -171.5 | 171.8 | -177.9 | 171.3 | 0.9 | 112.1 | E73 L74 Q75 L81 | E73-R77 WeakPolarHBondContact O-CB 3.28Å; E73-R77 PolarHBondContact O-N 2.95Å; L74-R77 PolarHBondContact O-N 3.08Å; Q75-R77 VanDerWaalsContact C-N 3.26Å; Q75-R77 PolarHBondContact O-N 3.26Å; R77-L81 HydrophobicContact CG-CD1 4.27Å; R77-L81 WeakPolarHBondContact O-CB 3.5Å; R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 2.99Å |
| 78 | C | 98.2 | Very high | 96.1 | Very high | 67 Ų | 67 | 112.6 Ų | 112.6 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 172.2 | -74.5 | 0 | 0 | 0 | 0 | 110.8 | L74 Q75 E80 L81 E82 | L74-C78 WeakPolarHBondContact O-CB 3.27Å; L74-C78 PolarHBondContact O-N 2.77Å; L74-C78 PolarHBondContact O-SG 3.35Å; Q75-C78 WeakPolarHBondContact O-CB 3.01Å; Q75-C78 PolarHBondContact O-N 3.45Å; Q75-C78 VanDerWaalsContact O-N 3.13Å; C78-E80 VanDerWaalsContact C-N 3.34Å; C78-E80 PolarHBondContact O-N 2.97Å; C78-L81 PolarHBondContact O-N 3.47Å; C78-E82 WeakPolarHBondContact O-CB 3.5Å; C78-E82 WeakPolarHBondContact O-CG 3.33Å; C78-E82 PolarHBondContact O-N 2.9Å |
| 79 | E | 98.5 | Very high | 96.7 | Very high | 100 Ų | 100 | 112.7 Ų | 112.7 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 178.1 | -70.6 | 169.1 | -171.4 | 0 | 0 | 112 | Q75 R76 E82 A83 | Q75-E79 WeakPolarHBondContact CG-OE1 3.41Å; Q75-E79 PolarHBondContact NE2-OE1 3.4Å; Q75-E79 WeakPolarHBondContact O-CG 3.46Å; Q75-E79 PolarHBondContact O-N 3.08Å; R76-E79 PolarHBondContact O-N 3.39Å; E79-E82 PolarHBondContact O-N 3.4Å; E79-A83 WeakPolarHBondContact O-CB 3.44Å; E79-A83 PolarHBondContact O-N 2.91Å |
| 80 | E | 98.6 | Very high | 97.2 | Very high | 109 Ų | 109 | 112.4 Ų | 112.4 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.5 | 178.2 | 62.8 | -142.7 | 0 | 0 | 111.8 | R76 C78 A83 Q84 | R76-E80 WeakPolarHBondContact O-CB 3.33Å; R76-E80 PolarHBondContact O-N 2.84Å; C78-E80 VanDerWaalsContact C-N 3.34Å; C78-E80 PolarHBondContact O-N 2.97Å; E80-A83 PolarHBondContact O-N 2.9Å; E80-Q84 WeakPolarHBondContact O-CB 3.49Å; E80-Q84 WeakPolarHBondContact O-CG 3.33Å; E80-Q84 PolarHBondContact O-N 3.18Å; E80-Q84 PolarHBondContact OE1-NE2 3.32Å |
| 81 | L | 98.5 | Very high | 97.7 | Very high | 97 Ų | 97 | 107.3 Ų | 107.3 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 177.1 | -74.1 | 172 | 0 | 0 | 0 | 112 | R77 C78 Q84 L85 | R77-L81 HydrophobicContact CG-CD1 4.27Å; R77-L81 WeakPolarHBondContact O-CB 3.5Å; R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 2.99Å; C78-L81 PolarHBondContact O-N 3.47Å; L81-Q84 PolarHBondContact O-N 2.82Å; L81-L85 WeakPolarHBondContact O-CB 3.49Å; L81-L85 PolarHBondContact O-N 2.93Å |
| 82 | E | 98.4 | Very high | 98.1 | Very high | 129 Ų | 129 | 108 Ų | 108 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 174.4 | -74.7 | 174.3 | -173.1 | 0 | 0 | 111.4 | C78 E79 L85 K86 | C78-E82 WeakPolarHBondContact O-CB 3.5Å; C78-E82 WeakPolarHBondContact O-CG 3.33Å; C78-E82 PolarHBondContact O-N 2.9Å; E79-E82 PolarHBondContact O-N 3.4Å; E82-L85 PolarHBondContact O-N 3.42Å; E82-K86 WeakPolarHBondContact O-CB 3.48Å; E82-K86 PolarHBondContact O-N 3.41Å |
| 83 | A | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 104.6 Ų | 104.6 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E79 E80 K86 K87 | E79-A83 WeakPolarHBondContact O-CB 3.44Å; E79-A83 PolarHBondContact O-N 2.91Å; E80-A83 PolarHBondContact O-N 2.9Å; A83-K86 PolarHBondContact O-N 2.84Å; A83-K87 WeakPolarHBondContact O-CB 3.22Å; A83-K87 PolarHBondContact O-N 3.26Å |
| 84 | Q | 98.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 104.9 Ų | 104.9 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175 | -73.8 | -179.6 | 36.4 | 0 | 0 | 112 | E80 L81 K87 K88 | E80-Q84 WeakPolarHBondContact O-CB 3.49Å; E80-Q84 WeakPolarHBondContact O-CG 3.33Å; E80-Q84 PolarHBondContact O-N 3.18Å; E80-Q84 PolarHBondContact OE1-NE2 3.32Å; L81-Q84 PolarHBondContact O-N 2.82Å; Q84-K87 PolarHBondContact O-N 2.9Å; Q84-K88 WeakPolarHBondContact O-CB 3.38Å; Q84-K88 VanDerWaalsContact O-CG 3.28Å; Q84-K88 WeakPolarHBondContact O-CG 3.36Å; Q84-K88 PolarHBondContact O-N 3.05Å |
| 85 | L | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 105.7 Ų | 105.7 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -50 | 176 | 179.4 | 64.7 | 0 | 0 | 0 | 110.2 | L81 E82 K87 K88 E89 | L81-L85 WeakPolarHBondContact O-CB 3.49Å; L81-L85 PolarHBondContact O-N 2.93Å; E82-L85 PolarHBondContact O-N 3.42Å; L85-K87 VanDerWaalsContact C-N 3.34Å; L85-K87 PolarHBondContact O-N 2.82Å; L85-K88 CarbonylContact O-C 3.57Å; L85-K88 WeakPolarHBondContact O-CA 3.33Å; L85-K88 WeakPolarHBondContact O-CB 3.39Å; L85-K88 PolarHBondContact O-N 2.9Å; L85-E89 HydrophobicContact CD1-CG 4.43Å; L85-E89 HydrophobicContact CG-CG 4.46Å; L85-E89 WeakPolarHBondContact O-CG 3.37Å; L85-E89 PolarHBondContact O-N 3.38Å |
| 86 | K | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 105 Ų | 105 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 178.7 | -172.7 | -179.2 | 178.5 | -174.2 | 0 | 112.1 | E82 A83 K88 E89 E90 | E82-K86 WeakPolarHBondContact O-CB 3.48Å; E82-K86 PolarHBondContact O-N 3.41Å; A83-K86 PolarHBondContact O-N 2.84Å; K86-K88 VanDerWaalsContact C-N 3.3Å; K86-K88 PolarHBondContact O-N 3.25Å; K86-E89 PolarHBondContact O-N 3.4Å; K86-E90 VanDerWaalsContact CE-OE1 3.27Å; K86-E90 WeakPolarHBondContact CE-OE1 3.5Å; K86-E90 WeakPolarHBondContact O-CG 3.28Å; K86-E90 PolarHBondContact O-N 3.34Å |
| 87 | K | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 104.3 Ų | 104.3 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 174.9 | -178.8 | 177.5 | 177.8 | 178.6 | 0 | 111.7 | A83 Q84 L85 E90 E91 | A83-K87 WeakPolarHBondContact O-CB 3.22Å; A83-K87 PolarHBondContact O-N 3.26Å; Q84-K87 PolarHBondContact O-N 2.9Å; L85-K87 VanDerWaalsContact C-N 3.34Å; L85-K87 PolarHBondContact O-N 2.82Å; K87-E90 PolarHBondContact O-N 2.85Å; K87-E91 WeakPolarHBondContact CE-OE1 3.28Å; K87-E91 WeakPolarHBondContact O-CB 3.33Å; K87-E91 WeakPolarHBondContact O-CG 3.19Å; K87-E91 PolarHBondContact O-N 3.26Å |
| 88 | K | 98.7 | Very high | 98.6 | Very high | 127 Ų | 127 | 99 Ų | 99 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.8 | -35.8 | 178.1 | -72.2 | -73.1 | 163.2 | -154.6 | 0 | 112.4 | Q84 L85 K86 E91 N92 | Q84-K88 WeakPolarHBondContact O-CB 3.38Å; Q84-K88 VanDerWaalsContact O-CG 3.28Å; Q84-K88 WeakPolarHBondContact O-CG 3.36Å; Q84-K88 PolarHBondContact O-N 3.05Å; L85-K88 CarbonylContact O-C 3.57Å; L85-K88 WeakPolarHBondContact O-CA 3.33Å; L85-K88 WeakPolarHBondContact O-CB 3.39Å; L85-K88 PolarHBondContact O-N 2.9Å; K86-K88 VanDerWaalsContact C-N 3.3Å; K86-K88 PolarHBondContact O-N 3.25Å; K88-E91 IonicContact NZ-OE1 2.72Å; K88-E91 IonicContact NZ-OE2 3.71Å; K88-E91 PolarHBondContact NZ-OE2 2.98Å; K88-N92 VanDerWaalsContact O-CB 3.24Å; K88-N92 WeakPolarHBondContact O-CB 3.31Å; K88-N92 PolarHBondContact O-N 3.1Å |
| 89 | E | 98.7 | Very high | 98.7 | Very high | 106 Ų | 106 | 100.3 Ų | 100.3 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 172.7 | -72 | 173.9 | 163 | 0 | 0 | 110.9 | L85 K86 N92 T93 | L85-E89 HydrophobicContact CD1-CG 4.43Å; L85-E89 HydrophobicContact CG-CG 4.46Å; L85-E89 WeakPolarHBondContact O-CG 3.37Å; L85-E89 PolarHBondContact O-N 3.38Å; K86-E89 PolarHBondContact O-N 3.4Å; E89-N92 WeakPolarHBondContact O-CB 3.49Å; E89-N92 PolarHBondContact O-N 2.71Å; E89-T93 VanDerWaalsContact O-CG2 3.28Å; E89-T93 WeakPolarHBondContact O-CG2 3.24Å; E89-T93 PolarHBondContact O-N 3.48Å; E89-T93 PolarHBondContact O-OG1 3Å |
| 90 | E | 98.7 | Very high | 98.7 | Very high | 107 Ų | 107 | 102.3 Ų | 102.3 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 174.9 | -72.1 | 170 | -173.7 | 0 | 0 | 111.5 | K86 K87 N92 T93 E94 | K86-E90 VanDerWaalsContact CE-OE1 3.27Å; K86-E90 WeakPolarHBondContact CE-OE1 3.5Å; K86-E90 WeakPolarHBondContact O-CG 3.28Å; K86-E90 PolarHBondContact O-N 3.34Å; K87-E90 PolarHBondContact O-N 2.85Å; E90-N92 VanDerWaalsContact C-N 3.29Å; E90-N92 PolarHBondContact O-N 2.96Å; E90-T93 PolarHBondContact O-N 3.41Å; E90-T93 PolarHBondContact O-OG1 3.19Å; E90-E94 PolarHBondContact O-N 3.34Å |
| 91 | E | 98.7 | Very high | 98.7 | Very high | 68 Ų | 68 | 103.5 Ų | 103.5 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.8 | -42.3 | 174.3 | -74.2 | 172.8 | -171.6 | 0 | 0 | 111.7 | K87 K88 E94 L95 | K87-E91 WeakPolarHBondContact CE-OE1 3.28Å; K87-E91 WeakPolarHBondContact O-CB 3.33Å; K87-E91 WeakPolarHBondContact O-CG 3.19Å; K87-E91 PolarHBondContact O-N 3.26Å; K88-E91 IonicContact NZ-OE1 2.72Å; K88-E91 IonicContact NZ-OE2 3.71Å; K88-E91 PolarHBondContact NZ-OE2 2.98Å; E91-E94 PolarHBondContact O-N 2.95Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.47Å; E91-L95 PolarHBondContact O-N 3.2Å |
| 92 | N | 98.7 | Very high | 98.7 | Very high | 90 Ų | 90 | 104.7 Ų | 104.7 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 178.5 | -169.1 | -46.6 | 0 | 0 | 0 | 111.6 | K88 E89 E90 E94 L95 L96 | K88-N92 VanDerWaalsContact O-CB 3.24Å; K88-N92 WeakPolarHBondContact O-CB 3.31Å; K88-N92 PolarHBondContact O-N 3.1Å; E89-N92 WeakPolarHBondContact O-CB 3.49Å; E89-N92 PolarHBondContact O-N 2.71Å; E90-N92 VanDerWaalsContact C-N 3.29Å; E90-N92 PolarHBondContact O-N 2.96Å; N92-E94 VanDerWaalsContact C-N 3.26Å; N92-E94 PolarHBondContact O-N 3.41Å; N92-L95 PolarHBondContact O-N 3.32Å; N92-L96 WeakPolarHBondContact O-CG 3.27Å; N92-L96 PolarHBondContact O-N 2.86Å; N92-L96 WeakPolarHBondContact OD1-CD1 3.38Å |
| 93 | T | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 103 Ų | 103 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | E89 E90 L96 R97 | E89-T93 VanDerWaalsContact O-CG2 3.28Å; E89-T93 WeakPolarHBondContact O-CG2 3.24Å; E89-T93 PolarHBondContact O-N 3.48Å; E89-T93 PolarHBondContact O-OG1 3Å; E90-T93 PolarHBondContact O-N 3.41Å; E90-T93 PolarHBondContact O-OG1 3.19Å; T93-L96 PolarHBondContact O-N 3.12Å; T93-R97 PolarHBondContact O-N 3.5Å; T93-R97 VanDerWaalsContact O-N 3.12Å |
| 94 | E | 98.7 | Very high | 98.7 | Very high | 102 Ų | 102 | 102.9 Ų | 102.9 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 174.1 | 178.3 | 161.9 | -134.7 | 0 | 0 | 111.9 | E90 E91 N92 L96 R97 D98 | E90-E94 PolarHBondContact O-N 3.34Å; E91-E94 PolarHBondContact O-N 2.95Å; N92-E94 VanDerWaalsContact C-N 3.26Å; N92-E94 PolarHBondContact O-N 3.41Å; E94-L96 VanDerWaalsContact C-N 3.28Å; E94-L96 PolarHBondContact O-N 3.03Å; E94-R97 PolarHBondContact O-N 2.72Å; E94-R97 IonicContact OE1-NH2 3.03Å; E94-D98 PolarHBondContact O-N 3.34Å |
| 95 | L | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 103.6 Ų | 103.6 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.3 | -37.3 | 176 | -70.9 | 173.1 | 0 | 0 | 0 | 112.5 | E91 N92 D98 L99 | E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.47Å; E91-L95 PolarHBondContact O-N 3.2Å; N92-L95 PolarHBondContact O-N 3.32Å; L95-D98 PolarHBondContact O-N 3.48Å; L95-L99 WeakPolarHBondContact O-CB 3.41Å; L95-L99 WeakPolarHBondContact O-CG 3.37Å; L95-L99 PolarHBondContact O-N 2.91Å |
| 96 | L | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 102.8 Ų | 102.8 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 175.4 | -74.8 | 173.9 | 0 | 0 | 0 | 111.9 | N92 T93 E94 D98 L99 E100 | N92-L96 WeakPolarHBondContact O-CG 3.27Å; N92-L96 PolarHBondContact O-N 2.86Å; N92-L96 WeakPolarHBondContact OD1-CD1 3.38Å; T93-L96 PolarHBondContact O-N 3.12Å; E94-L96 VanDerWaalsContact C-N 3.28Å; E94-L96 PolarHBondContact O-N 3.03Å; L96-D98 VanDerWaalsContact C-N 3.34Å; L96-D98 PolarHBondContact O-N 3.21Å; L96-L99 PolarHBondContact O-N 2.91Å; L96-E100 PolarHBondContact O-N 3.27Å |
| 97 | R | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 99.5 Ų | 99.5 | 50% | 0.502 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.2 | -74.9 | -168.5 | -67.2 | 89.8 | -3.2 | 112 | T93 E94 L99 E100 Q101 | T93-R97 PolarHBondContact O-N 3.5Å; T93-R97 VanDerWaalsContact O-N 3.12Å; E94-R97 PolarHBondContact O-N 2.72Å; E94-R97 IonicContact OE1-NH2 3.03Å; R97-L99 VanDerWaalsContact C-N 3.34Å; R97-L99 PolarHBondContact O-N 3.13Å; R97-E100 PolarHBondContact O-N 2.95Å; R97-Q101 PolarHBondContact O-N 3.48Å |
| 98 | D | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 97.7 Ų | 97.7 | 28% | 0.283 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 178.1 | -86.1 | 15.2 | 0 | 0 | 0 | 112.1 | E94 L95 L96 Q101 K102 | E94-D98 PolarHBondContact O-N 3.34Å; L95-D98 PolarHBondContact O-N 3.48Å; L96-D98 VanDerWaalsContact C-N 3.34Å; L96-D98 PolarHBondContact O-N 3.21Å; D98-Q101 PolarHBondContact O-N 3.18Å; D98-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 VanDerWaalsContact O-CG 3.27Å; D98-K102 WeakPolarHBondContact O-CG 3.46Å; D98-K102 PolarHBondContact O-N 3.49Å |
| 99 | L | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 96.1 Ų | 96.1 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.2 | -77.7 | 173.8 | 0 | 0 | 0 | 111.3 | L95 L96 R97 K102 N103 | L95-L99 WeakPolarHBondContact O-CB 3.41Å; L95-L99 WeakPolarHBondContact O-CG 3.37Å; L95-L99 PolarHBondContact O-N 2.91Å; L96-L99 PolarHBondContact O-N 2.91Å; R97-L99 VanDerWaalsContact C-N 3.34Å; R97-L99 PolarHBondContact O-N 3.13Å; L99-K102 PolarHBondContact O-N 2.94Å; L99-N103 WeakPolarHBondContact O-CB 3.45Å; L99-N103 VanDerWaalsContact O-CG 3.22Å; L99-N103 PolarHBondContact O-N 2.95Å; L99-N103 PolarHBondContact O-ND2 2.88Å |
| 100 | E | 98.8 | Very high | 98.8 | Very high | 142 Ų | 142 | 95.6 Ų | 95.6 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.7 | -46.9 | 176.3 | -174.2 | 174.4 | -165.5 | 0 | 0 | 111.5 | L96 R97 K102 N103 A104 | L96-E100 PolarHBondContact O-N 3.27Å; R97-E100 PolarHBondContact O-N 2.95Å; E100-K102 PolarHBondContact O-N 3.49Å; E100-N103 PolarHBondContact O-N 3.33Å; E100-A104 WeakPolarHBondContact O-CB 3.48Å; E100-A104 PolarHBondContact O-N 3.19Å |
| 101 | Q | 98.8 | Very high | 98.8 | Very high | 134 Ų | 134 | 94.6 Ų | 94.6 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.1 | -44.6 | 176.5 | -173.8 | -175.1 | 13.4 | 0 | 0 | 111.9 | R97 D98 A104 M105 | R97-Q101 PolarHBondContact O-N 3.48Å; D98-Q101 PolarHBondContact O-N 3.18Å; Q101-A104 PolarHBondContact O-N 3.39Å; Q101-M105 PolarHBondContact O-N 2.96Å |
| 102 | K | 98.8 | Very high | 98.8 | Very high | 123 Ų | 123 | 93.4 Ų | 93.4 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 177.6 | -75.3 | 170.3 | -177.2 | 159.8 | 0 | 111.5 | D98 L99 E100 A104 M105 I106 | D98-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 VanDerWaalsContact O-CG 3.27Å; D98-K102 WeakPolarHBondContact O-CG 3.46Å; D98-K102 PolarHBondContact O-N 3.49Å; L99-K102 PolarHBondContact O-N 2.94Å; E100-K102 PolarHBondContact O-N 3.49Å; K102-A104 VanDerWaalsContact C-N 3.34Å; K102-A104 PolarHBondContact O-N 3.04Å; K102-M105 WeakPolarHBondContact O-CB 3.38Å; K102-M105 PolarHBondContact O-N 2.9Å; K102-I106 VanDerWaalsContact O-CG1 3.28Å; K102-I106 WeakPolarHBondContact O-CG1 3.45Å; K102-I106 PolarHBondContact O-N 3.37Å |
| 103 | N | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 93.6 Ų | 93.6 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 176.1 | -74.6 | -27.8 | 0 | 0 | 0 | 112.3 | L99 E100 I106 S107 | L99-N103 WeakPolarHBondContact O-CB 3.45Å; L99-N103 VanDerWaalsContact O-CG 3.22Å; L99-N103 PolarHBondContact O-N 2.95Å; L99-N103 PolarHBondContact O-ND2 2.88Å; E100-N103 PolarHBondContact O-N 3.33Å; N103-I106 PolarHBondContact O-N 3.41Å; N103-S107 PolarHBondContact O-N 3.27Å; N103-S107 PolarHBondContact O-OG 2.97Å |
| 104 | A | 98.8 | Very high | 98.8 | Very high | 54 Ų | 54 | 95.3 Ų | 95.3 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E100 Q101 K102 I106 S107 V108 | E100-A104 WeakPolarHBondContact O-CB 3.48Å; E100-A104 PolarHBondContact O-N 3.19Å; Q101-A104 PolarHBondContact O-N 3.39Å; K102-A104 VanDerWaalsContact C-N 3.34Å; K102-A104 PolarHBondContact O-N 3.04Å; A104-I106 PolarHBondContact O-N 3.23Å; A104-S107 WeakPolarHBondContact O-CB 3.35Å; A104-S107 PolarHBondContact O-N 3.49Å; A104-V108 WeakPolarHBondContact O-CG2 3.48Å; A104-V108 PolarHBondContact O-N 3.23Å |
| 105 | M | 98.8 | Very high | 98.8 | Very high | 110 Ų | 110 | 95.9 Ų | 95.9 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 175.4 | -176.8 | 64.2 | 70.6 | 0 | 0 | 112 | Q101 K102 S107 V108 L109 | Q101-M105 PolarHBondContact O-N 2.96Å; K102-M105 WeakPolarHBondContact O-CB 3.38Å; K102-M105 PolarHBondContact O-N 2.9Å; M105-S107 VanDerWaalsContact C-N 3.31Å; M105-S107 PolarHBondContact O-N 3.43Å; M105-V108 PolarHBondContact O-N 2.86Å; M105-L109 HydrophobicContact CG-CD1 4.17Å; M105-L109 WeakPolarHBondContact O-CG 3.45Å; M105-L109 PolarHBondContact O-N 3.48Å |
| 106 | I | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 97.4 Ų | 97.4 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 175.5 | -70.1 | 167.2 | 0 | 0 | 0 | 109.7 | K102 N103 A104 V108 L109 E110 | K102-I106 VanDerWaalsContact O-CG1 3.28Å; K102-I106 WeakPolarHBondContact O-CG1 3.45Å; K102-I106 PolarHBondContact O-N 3.37Å; N103-I106 PolarHBondContact O-N 3.41Å; A104-I106 PolarHBondContact O-N 3.23Å; I106-V108 VanDerWaalsContact C-N 3.32Å; I106-V108 PolarHBondContact O-N 3.35Å; I106-L109 PolarHBondContact O-N 2.97Å; I106-L109 VanDerWaalsContact O-N 3.15Å; I106-E110 HydrophobicContact CG2-CG 4.1Å; I106-E110 WeakPolarHBondContact O-CB 3.29Å; I106-E110 WeakPolarHBondContact O-CG 3.28Å; I106-E110 PolarHBondContact O-N 3.4Å |
| 107 | S | 98.8 | Very high | 98.8 | Very high | 58 Ų | 58 | 98.4 Ų | 98.4 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 179.4 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | N103 A104 M105 N111 | N103-S107 PolarHBondContact O-N 3.27Å; N103-S107 PolarHBondContact O-OG 2.97Å; A104-S107 WeakPolarHBondContact O-CB 3.35Å; A104-S107 PolarHBondContact O-N 3.49Å; M105-S107 VanDerWaalsContact C-N 3.31Å; M105-S107 PolarHBondContact O-N 3.43Å; S107-N111 WeakPolarHBondContact O-CB 3.37Å; S107-N111 VanDerWaalsContact O-CG 3.25Å; S107-N111 PolarHBondContact O-N 2.86Å; S107-N111 PolarHBondContact O-ND2 2.72Å |
| 108 | V | 98.8 | Very high | 98.8 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | A104 M105 I106 N111 T112 | A104-V108 WeakPolarHBondContact O-CG2 3.48Å; A104-V108 PolarHBondContact O-N 3.23Å; M105-V108 PolarHBondContact O-N 2.86Å; I106-V108 VanDerWaalsContact C-N 3.32Å; I106-V108 PolarHBondContact O-N 3.35Å; V108-N111 PolarHBondContact O-N 3.2Å; V108-T112 VanDerWaalsContact O-CB 3.29Å; V108-T112 WeakPolarHBondContact O-CB 3.34Å; V108-T112 PolarHBondContact O-N 2.93Å; V108-T112 PolarHBondContact O-OG1 3.45Å |
| 109 | L | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 101.5 Ų | 101.5 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 178.9 | -70.4 | 174.9 | 0 | 0 | 0 | 111.9 | M105 I106 T112 I113 | M105-L109 HydrophobicContact CG-CD1 4.17Å; M105-L109 WeakPolarHBondContact O-CG 3.45Å; M105-L109 PolarHBondContact O-N 3.48Å; I106-L109 PolarHBondContact O-N 2.97Å; I106-L109 VanDerWaalsContact O-N 3.15Å; L109-T112 WeakPolarHBondContact O-CB 3.33Å; L109-T112 PolarHBondContact O-N 3.45Å; L109-I113 WeakPolarHBondContact O-CG1 3.5Å; L109-I113 PolarHBondContact O-N 3.1Å |
| 110 | E | 98.8 | Very high | 98.8 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 175.4 | -75.3 | -176.4 | 173.6 | 0 | 0 | 111.7 | I106 T112 I113 K114 | I106-E110 HydrophobicContact CG2-CG 4.1Å; I106-E110 WeakPolarHBondContact O-CB 3.29Å; I106-E110 WeakPolarHBondContact O-CG 3.28Å; I106-E110 PolarHBondContact O-N 3.4Å; E110-T112 VanDerWaalsContact C-N 3.3Å; E110-T112 PolarHBondContact O-N 3.27Å; E110-I113 PolarHBondContact O-N 3.42Å; E110-K114 WeakPolarHBondContact O-CB 3.42Å; E110-K114 VanDerWaalsContact O-CG 3.3Å; E110-K114 WeakPolarHBondContact O-CG 3.43Å; E110-K114 PolarHBondContact O-N 3.26Å |
| 111 | N | 98.8 | Very high | 98.8 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.6 | -73.4 | -20.7 | 0 | 0 | 0 | 111.3 | S107 V108 I113 K114 E115 | S107-N111 WeakPolarHBondContact O-CB 3.37Å; S107-N111 VanDerWaalsContact O-CG 3.25Å; S107-N111 PolarHBondContact O-N 2.86Å; S107-N111 PolarHBondContact O-ND2 2.72Å; V108-N111 PolarHBondContact O-N 3.2Å; N111-I113 VanDerWaalsContact C-N 3.33Å; N111-I113 PolarHBondContact O-N 3.29Å; N111-K114 PolarHBondContact O-N 3.03Å; N111-E115 WeakPolarHBondContact O-CB 3.41Å; N111-E115 WeakPolarHBondContact O-CG 3.3Å; N111-E115 PolarHBondContact O-N 3.43Å |
| 112 | T | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 99.8 Ų | 99.8 | 26% | 0.258 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 177.7 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | V108 L109 E110 R116 | V108-T112 VanDerWaalsContact O-CB 3.29Å; V108-T112 WeakPolarHBondContact O-CB 3.34Å; V108-T112 PolarHBondContact O-N 2.93Å; V108-T112 PolarHBondContact O-OG1 3.45Å; L109-T112 WeakPolarHBondContact O-CB 3.33Å; L109-T112 PolarHBondContact O-N 3.45Å; E110-T112 VanDerWaalsContact C-N 3.3Å; E110-T112 PolarHBondContact O-N 3.27Å; T112-R116 WeakPolarHBondContact O-CG 3.37Å; T112-R116 PolarHBondContact O-N 2.91Å; T112-R116 VanDerWaalsContact O-N 3.09Å |
| 113 | I | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 98.3 Ų | 98.3 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -50.2 | 176 | -71.2 | 166.5 | 0 | 0 | 0 | 110 | L109 E110 N111 E115 R116 E117 | L109-I113 WeakPolarHBondContact O-CG1 3.5Å; L109-I113 PolarHBondContact O-N 3.1Å; E110-I113 PolarHBondContact O-N 3.42Å; N111-I113 VanDerWaalsContact C-N 3.33Å; N111-I113 PolarHBondContact O-N 3.29Å; I113-E115 VanDerWaalsContact C-N 3.27Å; I113-E115 PolarHBondContact O-N 2.96Å; I113-R116 PolarHBondContact O-N 2.81Å; I113-E117 HydrophobicContact CG2-CG 4.18Å; I113-E117 WeakPolarHBondContact O-CG 3.47Å; I113-E117 PolarHBondContact O-N 3.34Å |
| 114 | K | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 99.4 Ų | 99.4 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.2 | -42.3 | 178.3 | -73.4 | 169.3 | -176.3 | 163.2 | 0 | 112.1 | E110 N111 K118 | E110-K114 WeakPolarHBondContact O-CB 3.42Å; E110-K114 VanDerWaalsContact O-CG 3.3Å; E110-K114 WeakPolarHBondContact O-CG 3.43Å; E110-K114 PolarHBondContact O-N 3.26Å; N111-K114 PolarHBondContact O-N 3.03Å; K114-K118 WeakPolarHBondContact O-CB 3.45Å; K114-K118 PolarHBondContact O-N 3.32Å |
| 115 | E | 98.8 | Very high | 98.8 | Very high | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.7 | -76.5 | 179.3 | -165.2 | 0 | 0 | 112.8 | N111 I113 K118 K119 | N111-E115 WeakPolarHBondContact O-CB 3.41Å; N111-E115 WeakPolarHBondContact O-CG 3.3Å; N111-E115 PolarHBondContact O-N 3.43Å; I113-E115 VanDerWaalsContact C-N 3.27Å; I113-E115 PolarHBondContact O-N 2.96Å; E115-K118 PolarHBondContact O-N 2.88Å; E115-K119 WeakPolarHBondContact O-CG 3.37Å; E115-K119 PolarHBondContact O-N 3.42Å |
| 116 | R | 98.8 | Very high | 98.8 | Very high | 140 Ų | 140 | 104 Ų | 104 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 176.3 | -76.1 | -170.5 | 174.8 | 107.9 | 8.8 | 111.9 | T112 I113 K118 K119 Y120 | T112-R116 WeakPolarHBondContact O-CG 3.37Å; T112-R116 PolarHBondContact O-N 2.91Å; T112-R116 VanDerWaalsContact O-N 3.09Å; I113-R116 PolarHBondContact O-N 2.81Å; R116-K118 VanDerWaalsContact C-N 3.32Å; R116-K118 PolarHBondContact O-N 2.94Å; R116-K119 PolarHBondContact O-N 3.08Å; R116-Y120 HydrophobicContact CB-CE2 4.25Å; R116-Y120 VanDerWaalsContact O-CD2 3.27Å; R116-Y120 WeakPolarHBondContact O-CD2 2.98Å; R116-Y120 PolarHBondContact O-N 3.47Å |
| 117 | E | 98.7 | Very high | 98.8 | Very high | 120 Ų | 120 | 106 Ų | 106 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.6 | -45.4 | 174.9 | -72.7 | 177.4 | 162 | 0 | 0 | 111.3 | I113 K119 Y120 L121 | I113-E117 HydrophobicContact CG2-CG 4.18Å; I113-E117 WeakPolarHBondContact O-CG 3.47Å; I113-E117 PolarHBondContact O-N 3.34Å; E117-K119 PolarHBondContact O-N 3.16Å; E117-Y120 PolarHBondContact O-N 3.35Å; E117-L121 WeakPolarHBondContact O-CB 3.49Å; E117-L121 PolarHBondContact O-N 3.15Å |
| 118 | K | 98.8 | Very high | 98.8 | Very high | 133 Ų | 133 | 106.8 Ų | 106.8 | 58% | 0.578 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.3 | -48.9 | 175.2 | -178.8 | 179.4 | 174 | -176.5 | 0 | 111.6 | K114 E115 R116 Y120 L121 E122 | K114-K118 WeakPolarHBondContact O-CB 3.45Å; K114-K118 PolarHBondContact O-N 3.32Å; E115-K118 PolarHBondContact O-N 2.88Å; R116-K118 VanDerWaalsContact C-N 3.32Å; R116-K118 PolarHBondContact O-N 2.94Å; K118-Y120 PolarHBondContact O-N 3.47Å; K118-L121 PolarHBondContact O-N 2.84Å; K118-E122 WeakPolarHBondContact CE-OE1 3.27Å; K118-E122 WeakPolarHBondContact CG-OE1 3.33Å; K118-E122 WeakPolarHBondContact O-CG 3.39Å; K118-E122 PolarHBondContact O-N 3.25Å |
| 119 | K | 98.8 | Very high | 98.8 | Very high | 119 Ų | 119 | 108.5 Ų | 108.5 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -48 | 178.4 | -74.8 | 171.9 | -178.6 | 171.4 | 0 | 111.8 | E115 R116 E117 L121 E122 E123 | E115-K119 WeakPolarHBondContact O-CG 3.37Å; E115-K119 PolarHBondContact O-N 3.42Å; R116-K119 PolarHBondContact O-N 3.08Å; E117-K119 PolarHBondContact O-N 3.16Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 3.35Å; K119-E122 PolarHBondContact O-N 3.47Å; K119-E123 WeakPolarHBondContact O-CG 3.35Å; K119-E123 PolarHBondContact O-N 3.35Å |
| 120 | Y | 98.8 | Very high | 98.8 | Very high | 148 Ų | 148 | 110.8 Ų | 110.8 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -35.8 | 179.4 | -64.6 | -35.7 | 0 | 0 | 0 | 112.9 | R116 E117 K118 E123 L124 | R116-Y120 HydrophobicContact CB-CE2 4.25Å; R116-Y120 VanDerWaalsContact O-CD2 3.27Å; R116-Y120 WeakPolarHBondContact O-CD2 2.98Å; R116-Y120 PolarHBondContact O-N 3.47Å; E117-Y120 PolarHBondContact O-N 3.35Å; K118-Y120 PolarHBondContact O-N 3.47Å; Y120-E123 PolarHBondContact O-N 2.88Å; Y120-L124 VanDerWaalsContact O-CB 3.28Å; Y120-L124 WeakPolarHBondContact O-CB 3.33Å; Y120-L124 PolarHBondContact O-N 2.94Å |
| 121 | L | 98.8 | Very high | 98.8 | Very high | 90 Ų | 90 | 112 Ų | 112 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.2 | -174.2 | 65.8 | 0 | 0 | 0 | 111.6 | E117 K118 K119 L124 K125 | E117-L121 WeakPolarHBondContact O-CB 3.49Å; E117-L121 PolarHBondContact O-N 3.15Å; K118-L121 PolarHBondContact O-N 2.84Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 3.35Å; L121-L124 PolarHBondContact O-N 3.36Å; L121-K125 VanDerWaalsContact O-CG 3.29Å; L121-K125 WeakPolarHBondContact O-CG 3.44Å; L121-K125 PolarHBondContact O-N 3.09Å |
| 122 | E | 98.8 | Very high | 98.8 | Very high | 95 Ų | 95 | 110.9 Ų | 110.9 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 174.6 | -73.7 | 171.1 | -172.2 | 0 | 0 | 111.3 | K118 K119 L124 K125 M126 | K118-E122 WeakPolarHBondContact CE-OE1 3.27Å; K118-E122 WeakPolarHBondContact CG-OE1 3.33Å; K118-E122 WeakPolarHBondContact O-CG 3.39Å; K118-E122 PolarHBondContact O-N 3.25Å; K119-E122 PolarHBondContact O-N 3.47Å; E122-L124 VanDerWaalsContact C-N 3.3Å; E122-L124 PolarHBondContact O-N 3.06Å; E122-K125 WeakPolarHBondContact O-CB 3.49Å; E122-K125 PolarHBondContact O-N 3Å; E122-M126 WeakPolarHBondContact O-CG 3.45Å; E122-M126 PolarHBondContact O-N 3.45Å |
| 123 | E | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 112 Ų | 112 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 174.8 | -75.5 | -175.7 | -150.1 | 0 | 0 | 112.5 | K119 Y120 M126 K127 | K119-E123 WeakPolarHBondContact O-CG 3.35Å; K119-E123 PolarHBondContact O-N 3.35Å; Y120-E123 PolarHBondContact O-N 2.88Å; E123-M126 PolarHBondContact O-N 3.27Å; E123-K127 WeakPolarHBondContact O-CB 3.49Å; E123-K127 WeakPolarHBondContact O-CG 3.39Å; E123-K127 PolarHBondContact O-N 3.29Å; E123-K127 IonicContact OE2-NZ 3.27Å; E123-K127 PolarHBondContact OE2-NZ 2.84Å |
| 124 | L | 98.8 | Very high | 98.8 | Very high | 115 Ų | 115 | 111.7 Ų | 111.7 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | 178.1 | -175.9 | 63.1 | 0 | 0 | 0 | 111.1 | Y120 L121 E122 K127 S128 | Y120-L124 VanDerWaalsContact O-CB 3.28Å; Y120-L124 WeakPolarHBondContact O-CB 3.33Å; Y120-L124 PolarHBondContact O-N 2.94Å; L121-L124 PolarHBondContact O-N 3.36Å; E122-L124 VanDerWaalsContact C-N 3.3Å; E122-L124 PolarHBondContact O-N 3.06Å; L124-K127 PolarHBondContact O-N 3.3Å; L124-S128 VanDerWaalsContact O-CB 3.24Å; L124-S128 WeakPolarHBondContact O-CB 3.47Å; L124-S128 PolarHBondContact O-N 3.14Å |
| 125 | K | 98.8 | Very high | 98.8 | Very high | 129 Ų | 129 | 109.7 Ų | 109.7 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 174.1 | -75.6 | 170.3 | 179 | 175.9 | 0 | 111.4 | L121 E122 S128 H129 | L121-K125 VanDerWaalsContact O-CG 3.29Å; L121-K125 WeakPolarHBondContact O-CG 3.44Å; L121-K125 PolarHBondContact O-N 3.09Å; E122-K125 WeakPolarHBondContact O-CB 3.49Å; E122-K125 PolarHBondContact O-N 3Å; K125-S128 PolarHBondContact O-N 3.41Å; K125-H129 WeakPolarHBondContact O-CB 3.29Å; K125-H129 PolarHBondContact O-N 3.37Å |
| 126 | M | 98.8 | Very high | 98.8 | Very high | 131 Ų | 131 | 105.7 Ų | 105.7 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 178.4 | -68.5 | -56.1 | -67.1 | 0 | 0 | 112 | E122 E123 H129 K130 | E122-M126 WeakPolarHBondContact O-CG 3.45Å; E122-M126 PolarHBondContact O-N 3.45Å; E123-M126 PolarHBondContact O-N 3.27Å; M126-H129 PolarHBondContact O-N 3.37Å; M126-K130 WeakPolarHBondContact O-CB 3.28Å; M126-K130 PolarHBondContact O-N 3.4Å |
| 127 | K | 98.7 | Very high | 98.8 | Very high | 126 Ų | 126 | 103 Ų | 103 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176.3 | -72.7 | 168.3 | -177.8 | 159.2 | 0 | 111.7 | E123 L124 K130 L131 | E123-K127 WeakPolarHBondContact O-CB 3.49Å; E123-K127 WeakPolarHBondContact O-CG 3.39Å; E123-K127 PolarHBondContact O-N 3.29Å; E123-K127 IonicContact OE2-NZ 3.27Å; E123-K127 PolarHBondContact OE2-NZ 2.84Å; L124-K127 PolarHBondContact O-N 3.3Å; K127-K130 PolarHBondContact O-N 2.93Å; K127-L131 WeakPolarHBondContact O-CG 3.49Å; K127-L131 PolarHBondContact O-N 3.43Å |
| 128 | S | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 102.9 Ų | 102.9 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | L124 K125 K130 L131 A132 | L124-S128 VanDerWaalsContact O-CB 3.24Å; L124-S128 WeakPolarHBondContact O-CB 3.47Å; L124-S128 PolarHBondContact O-N 3.14Å; K125-S128 PolarHBondContact O-N 3.41Å; S128-K130 PolarHBondContact O-N 3.27Å; S128-L131 PolarHBondContact O-N 2.78Å; S128-A132 PolarHBondContact O-N 3.38Å |
| 129 | H | 98.8 | Very high | 98.7 | Very high | 123 Ų | 123 | 102.1 Ų | 102.1 | 57% | 0.569 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -45.7 | 175.7 | -179 | 58.8 | 0 | 0 | 0 | 111.8 | K125 M126 L131 A132 V133 | K125-H129 WeakPolarHBondContact O-CB 3.29Å; K125-H129 PolarHBondContact O-N 3.37Å; M126-H129 PolarHBondContact O-N 3.37Å; H129-L131 VanDerWaalsContact C-N 3.34Å; H129-L131 PolarHBondContact O-N 2.92Å; H129-A132 WeakPolarHBondContact O-CB 3.46Å; H129-A132 PolarHBondContact O-N 3.49Å; H129-A132 VanDerWaalsContact O-N 3.16Å; H129-V133 WeakPolarHBondContact O-CG2 3.24Å; H129-V133 PolarHBondContact O-N 3.49Å |
| 130 | K | 98.8 | Very high | 98.7 | Very high | 142 Ų | 142 | 102.9 Ų | 102.9 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | 176.4 | -176 | 174.7 | -179.1 | 177.2 | 0 | 112.4 | M126 K127 S128 A132 V133 L134 | M126-K130 WeakPolarHBondContact O-CB 3.28Å; M126-K130 PolarHBondContact O-N 3.4Å; K127-K130 PolarHBondContact O-N 2.93Å; S128-K130 PolarHBondContact O-N 3.27Å; K130-A132 VanDerWaalsContact C-N 3.34Å; K130-V133 PolarHBondContact O-N 3.25Å; K130-L134 HydrophobicContact CG-CD1 4.22Å; K130-L134 WeakPolarHBondContact O-CG 3.49Å; K130-L134 PolarHBondContact O-N 2.93Å |
| 131 | L | 98.8 | Very high | 98.7 | Very high | 122 Ų | 122 | 104.2 Ų | 104.2 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 175.5 | -76.7 | 172.3 | 0 | 0 | 0 | 111.7 | K127 S128 H129 V133 L134 S135 | K127-L131 WeakPolarHBondContact O-CG 3.49Å; K127-L131 PolarHBondContact O-N 3.43Å; S128-L131 PolarHBondContact O-N 2.78Å; H129-L131 VanDerWaalsContact C-N 3.34Å; H129-L131 PolarHBondContact O-N 2.92Å; L131-V133 PolarHBondContact O-N 2.97Å; L131-L134 PolarHBondContact O-N 3.41Å; L131-S135 WeakPolarHBondContact O-CB 3.46Å; L131-S135 PolarHBondContact O-N 3.32Å |
| 132 | A | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 102.1 Ų | 102.1 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | S128 H129 K130 G136 | S128-A132 PolarHBondContact O-N 3.38Å; H129-A132 WeakPolarHBondContact O-CB 3.46Å; H129-A132 PolarHBondContact O-N 3.49Å; H129-A132 VanDerWaalsContact O-N 3.16Å; K130-A132 VanDerWaalsContact C-N 3.34Å; A132-G136 PolarHBondContact O-N 2.92Å |
| 133 | V | 98.8 | Very high | 98.7 | Very high | 66 Ų | 66 | 100.6 Ų | 100.6 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | H129 K130 L131 S135 G136 E137 | H129-V133 WeakPolarHBondContact O-CG2 3.24Å; H129-V133 PolarHBondContact O-N 3.49Å; K130-V133 PolarHBondContact O-N 3.25Å; L131-V133 PolarHBondContact O-N 2.97Å; V133-S135 VanDerWaalsContact C-N 3.32Å; V133-S135 PolarHBondContact O-N 3.3Å; V133-G136 WeakPolarHBondContact O-CA 3.42Å; V133-G136 PolarHBondContact O-N 3.46Å; V133-G136 VanDerWaalsContact O-N 3.08Å; V133-E137 PolarHBondContact O-N 2.98Å |
| 134 | L | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | -180 | -68.9 | 174.3 | 0 | 0 | 0 | 112.5 | K130 L131 G136 E137 L138 | K130-L134 HydrophobicContact CG-CD1 4.22Å; K130-L134 WeakPolarHBondContact O-CG 3.49Å; K130-L134 PolarHBondContact O-N 2.93Å; L131-L134 PolarHBondContact O-N 3.41Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-E137 PolarHBondContact O-N 3.36Å; L134-L138 WeakPolarHBondContact O-CB 3.45Å; L134-L138 PolarHBondContact O-N 3.02Å |
| 135 | S | 98.6 | Very high | 98.7 | Very high | 74 Ų | 74 | 99.6 Ų | 99.6 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 173.9 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | L131 V133 L138 E139 | L131-S135 WeakPolarHBondContact O-CB 3.46Å; L131-S135 PolarHBondContact O-N 3.32Å; V133-S135 VanDerWaalsContact C-N 3.32Å; V133-S135 PolarHBondContact O-N 3.3Å; S135-L138 PolarHBondContact O-N 3.41Å; S135-E139 WeakPolarHBondContact O-CB 3.46Å; S135-E139 PolarHBondContact O-N 2.79Å |
| 136 | G | 98.8 | Very high | 98.7 | Very high | 31 Ų | 31 | 96.1 Ų | 96.1 | 32% | 0.32 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A132 V133 L134 L138 E139 Q140 | A132-G136 PolarHBondContact O-N 2.92Å; V133-G136 WeakPolarHBondContact O-CA 3.42Å; V133-G136 PolarHBondContact O-N 3.46Å; V133-G136 VanDerWaalsContact O-N 3.08Å; L134-G136 VanDerWaalsContact C-N 3.32Å; G136-L138 VanDerWaalsContact C-N 3.34Å; G136-L138 PolarHBondContact O-N 3.35Å; G136-E139 PolarHBondContact O-N 3.48Å; G136-Q140 VanDerWaalsContact O-CG 3.29Å; G136-Q140 WeakPolarHBondContact O-CG 3.46Å; G136-Q140 PolarHBondContact O-N 3.2Å |
| 137 | E | 98.6 | Very high | 98.7 | Very high | 84 Ų | 84 | 97 Ų | 97 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.7 | -70.4 | 177.5 | -163 | 0 | 0 | 112.3 | V133 L134 Q140 R141 | V133-E137 PolarHBondContact O-N 2.98Å; L134-E137 PolarHBondContact O-N 3.36Å; E137-Q140 PolarHBondContact O-N 2.92Å; E137-R141 WeakPolarHBondContact O-CG 3.42Å; E137-R141 PolarHBondContact O-N 2.95Å |
| 138 | L | 98.8 | Very high | 98.7 | Very high | 117 Ų | 117 | 95 Ų | 95 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | 177.6 | -172.6 | 127.3 | 0 | 0 | 0 | 111.4 | L134 S135 G136 R141 A142 | L134-L138 WeakPolarHBondContact O-CB 3.45Å; L134-L138 PolarHBondContact O-N 3.02Å; S135-L138 PolarHBondContact O-N 3.41Å; G136-L138 VanDerWaalsContact C-N 3.34Å; G136-L138 PolarHBondContact O-N 3.35Å; L138-R141 PolarHBondContact O-N 2.9Å; L138-A142 WeakPolarHBondContact O-CB 3.2Å; L138-A142 PolarHBondContact O-N 2.78Å |
| 139 | E | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 94.2 Ų | 94.2 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 176.6 | -170.6 | 60.2 | -140.7 | 0 | 0 | 111.9 | S135 G136 A142 S143 | S135-E139 WeakPolarHBondContact O-CB 3.46Å; S135-E139 PolarHBondContact O-N 2.79Å; G136-E139 PolarHBondContact O-N 3.48Å; E139-A142 PolarHBondContact O-N 3.49Å; E139-S143 WeakPolarHBondContact O-CB 3.34Å; E139-S143 PolarHBondContact O-N 2.98Å; E139-S143 PolarHBondContact O-OG 2.94Å |
| 140 | Q | 98.8 | Very high | 98.6 | Very high | 135 Ų | 135 | 92 Ų | 92 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | 175 | -73.7 | 173.2 | 4.4 | 0 | 0 | 112 | G136 E137 S143 T144 | G136-Q140 VanDerWaalsContact O-CG 3.29Å; G136-Q140 WeakPolarHBondContact O-CG 3.46Å; G136-Q140 PolarHBondContact O-N 3.2Å; E137-Q140 PolarHBondContact O-N 2.92Å; Q140-S143 PolarHBondContact O-N 2.75Å; Q140-T144 PolarHBondContact O-N 3.14Å; Q140-T144 PolarHBondContact O-OG1 2.89Å |
| 141 | R | 98.6 | Very high | 98.6 | Very high | 176 Ų | 176 | 89.8 Ų | 89.8 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 175.1 | -71.2 | 179.9 | -171.9 | -139.4 | 5.2 | 111.4 | E137 L138 S143 T144 I145 | E137-R141 WeakPolarHBondContact O-CG 3.42Å; E137-R141 PolarHBondContact O-N 2.95Å; L138-R141 PolarHBondContact O-N 2.9Å; R141-S143 VanDerWaalsContact C-N 3.34Å; R141-S143 PolarHBondContact O-N 3.06Å; R141-T144 PolarHBondContact O-N 3.33Å; R141-I145 WeakPolarHBondContact O-CG1 3.43Å; R141-I145 PolarHBondContact O-N 3.41Å |
| 142 | A | 98.6 | Very high | 98.5 | Very high | 46 Ų | 46 | 90 Ų | 90 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L138 E139 T144 I145 A146 | L138-A142 WeakPolarHBondContact O-CB 3.2Å; L138-A142 PolarHBondContact O-N 2.78Å; E139-A142 PolarHBondContact O-N 3.49Å; A142-T144 VanDerWaalsContact C-N 3.35Å; A142-T144 PolarHBondContact O-N 3.42Å; A142-I145 PolarHBondContact O-N 3.35Å; A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 2.91Å |
| 143 | S | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 92.9 Ų | 92.9 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.2 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | E139 Q140 R141 A146 Y147 | E139-S143 WeakPolarHBondContact O-CB 3.34Å; E139-S143 PolarHBondContact O-N 2.98Å; E139-S143 PolarHBondContact O-OG 2.94Å; Q140-S143 PolarHBondContact O-N 2.75Å; R141-S143 VanDerWaalsContact C-N 3.34Å; R141-S143 PolarHBondContact O-N 3.06Å; S143-A146 PolarHBondContact O-N 2.84Å; S143-Y147 WeakPolarHBondContact O-CB 3.32Å; S143-Y147 PolarHBondContact O-N 3.47Å |
| 144 | T | 98.6 | Very high | 98.3 | Very high | 79 Ų | 79 | 92.1 Ų | 92.1 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | Q140 R141 A142 A146 Y147 L148 | Q140-T144 PolarHBondContact O-N 3.14Å; Q140-T144 PolarHBondContact O-OG1 2.89Å; R141-T144 PolarHBondContact O-N 3.33Å; A142-T144 VanDerWaalsContact C-N 3.35Å; A142-T144 PolarHBondContact O-N 3.42Å; T144-A146 PolarHBondContact O-N 3.44Å; T144-Y147 PolarHBondContact O-N 3.32Å; T144-L148 HydrophobicContact CG2-CD1 4.13Å; T144-L148 HydrophobicContact CG2-CG 4.45Å; T144-L148 WeakPolarHBondContact O-CG 3.4Å; T144-L148 PolarHBondContact O-N 2.95Å |
| 145 | I | 98.6 | Very high | 98.1 | Very high | 107 Ų | 107 | 91.3 Ų | 91.3 | 55% | 0.549 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 176.7 | -68.6 | 165.6 | 0 | 0 | 0 | 110.4 | R141 A142 Y147 L148 T149 | R141-I145 WeakPolarHBondContact O-CG1 3.43Å; R141-I145 PolarHBondContact O-N 3.41Å; A142-I145 PolarHBondContact O-N 3.35Å; I145-Y147 VanDerWaalsContact C-N 3.32Å; I145-Y147 PolarHBondContact O-N 3.46Å; I145-L148 PolarHBondContact O-N 3.08Å; I145-T149 WeakPolarHBondContact O-CB 3.29Å; I145-T149 PolarHBondContact O-N 3.38Å; I145-T149 PolarHBondContact O-OG1 3.49Å |
| 146 | A | 98.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 94 Ų | 94 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A142 S143 T144 S150 | A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 2.91Å; S143-A146 PolarHBondContact O-N 2.84Å; T144-A146 PolarHBondContact O-N 3.44Å; A146-S150 WeakPolarHBondContact O-CB 3.27Å; A146-S150 PolarHBondContact O-N 2.91Å; A146-S150 PolarHBondContact O-OG 3.42Å |
| 147 | Y | 98.6 | Very high | 97.7 | Very high | 150 Ų | 150 | 100.5 Ų | 100.5 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.7 | -52 | 174.8 | 175 | -101.9 | 0 | 0 | 0 | 112.1 | S143 T144 I145 T149 S150 Q151 | S143-Y147 WeakPolarHBondContact O-CB 3.32Å; S143-Y147 PolarHBondContact O-N 3.47Å; T144-Y147 PolarHBondContact O-N 3.32Å; I145-Y147 VanDerWaalsContact C-N 3.32Å; I145-Y147 PolarHBondContact O-N 3.46Å; Y147-T149 VanDerWaalsContact C-N 3.32Å; Y147-T149 PolarHBondContact O-N 3.02Å; Y147-S150 WeakPolarHBondContact O-CB 3.37Å; Y147-S150 PolarHBondContact O-N 3.05Å; Y147-Q151 PolarHBondContact O-N 2.96Å |
| 148 | L | 98.5 | Very high | 97.4 | Very high | 83 Ų | 83 | 104.1 Ų | 104.1 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 178.6 | -67.7 | 175.4 | 0 | 0 | 0 | 111.9 | T144 I145 S150 Q151 L152 | T144-L148 HydrophobicContact CG2-CD1 4.13Å; T144-L148 HydrophobicContact CG2-CG 4.45Å; T144-L148 WeakPolarHBondContact O-CG 3.4Å; T144-L148 PolarHBondContact O-N 2.95Å; I145-L148 PolarHBondContact O-N 3.08Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.38Å; L148-Q151 WeakPolarHBondContact O-CB 3.22Å; L148-Q151 PolarHBondContact O-N 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.45Å; L148-L152 PolarHBondContact O-N 3.33Å |
| 149 | T | 98.3 | Very high | 97 | Very high | 58 Ų | 58 | 104.2 Ų | 104.2 | 36% | 0.356 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.8 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | I145 Y147 Q151 L152 H153 | I145-T149 WeakPolarHBondContact O-CB 3.29Å; I145-T149 PolarHBondContact O-N 3.38Å; I145-T149 PolarHBondContact O-OG1 3.49Å; Y147-T149 VanDerWaalsContact C-N 3.32Å; Y147-T149 PolarHBondContact O-N 3.02Å; T149-Q151 VanDerWaalsContact C-N 3.35Å; T149-Q151 PolarHBondContact O-N 3.39Å; T149-L152 PolarHBondContact O-N 2.99Å; T149-H153 PolarHBondContact O-CD2 3.37Å; T149-H153 PolarHBondContact O-N 3.42Å |
| 150 | S | 97.9 | Very high | 96.5 | Very high | 76 Ų | 76 | 104 Ų | 104 | 53% | 0.531 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.3 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | A146 Y147 L148 H153 A154 | A146-S150 WeakPolarHBondContact O-CB 3.27Å; A146-S150 PolarHBondContact O-N 2.91Å; A146-S150 PolarHBondContact O-OG 3.42Å; Y147-S150 WeakPolarHBondContact O-CB 3.37Å; Y147-S150 PolarHBondContact O-N 3.05Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.38Å; S150-H153 PolarHBondContact O-N 3.48Å; S150-A154 WeakPolarHBondContact O-CB 3.48Å; S150-A154 PolarHBondContact O-N 3.16Å |
| 151 | Q | 98.2 | Very high | 95.6 | Very high | 96 Ų | 96 | 100.9 Ų | 100.9 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.3 | -171 | -179.3 | 48 | 0 | 0 | 112.2 | Y147 L148 T149 A154 T155 | Y147-Q151 PolarHBondContact O-N 2.96Å; L148-Q151 WeakPolarHBondContact O-CB 3.22Å; L148-Q151 PolarHBondContact O-N 3.3Å; T149-Q151 VanDerWaalsContact C-N 3.35Å; T149-Q151 PolarHBondContact O-N 3.39Å; Q151-A154 PolarHBondContact O-N 3.45Å; Q151-T155 WeakPolarHBondContact O-CB 3.47Å; Q151-T155 PolarHBondContact O-N 2.85Å; Q151-T155 PolarHBondContact O-OG1 2.95Å |
| 152 | L | 97.3 | Very high | 93.9 | Very high | 127 Ų | 127 | 95.4 Ų | 95.4 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -46.8 | 173.6 | -75.6 | 174.1 | 0 | 0 | 0 | 111.1 | L148 T149 A154 T155 K156 | L148-L152 WeakPolarHBondContact O-CG 3.45Å; L148-L152 PolarHBondContact O-N 3.33Å; T149-L152 PolarHBondContact O-N 2.99Å; L152-A154 PolarHBondContact O-N 3.35Å; L152-T155 PolarHBondContact O-N 3.47Å; L152-K156 WeakPolarHBondContact O-CB 3.41Å; L152-K156 PolarHBondContact O-N 3.01Å |
| 153 | H | 96.7 | Very high | 92 | Very high | 122 Ų | 122 | 98.5 Ų | 98.5 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.8 | -43 | 176.3 | -77.4 | -63.1 | 0 | 0 | 0 | 112.5 | T149 S150 K156 K157 | T149-H153 PolarHBondContact O-CD2 3.37Å; T149-H153 PolarHBondContact O-N 3.42Å; S150-H153 PolarHBondContact O-N 3.48Å; H153-K156 PolarHBondContact O-N 3Å; H153-K157 WeakPolarHBondContact O-CB 3.46Å; H153-K157 PolarHBondContact O-N 2.81Å |
| 154 | A | 96.1 | Very high | 89.7 | Confident | 50 Ų | 50 | 98.7 Ų | 98.7 | 41% | 0.413 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S150 Q151 L152 K157 K158 | S150-A154 WeakPolarHBondContact O-CB 3.48Å; S150-A154 PolarHBondContact O-N 3.16Å; Q151-A154 PolarHBondContact O-N 3.45Å; L152-A154 PolarHBondContact O-N 3.35Å; A154-K157 PolarHBondContact O-N 2.98Å; A154-K158 WeakPolarHBondContact O-CG 3.38Å; A154-K158 PolarHBondContact O-N 3.36Å |
| 155 | T | 95.3 | Very high | 87.4 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 44% | 0.436 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -45.4 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | Q151 L152 K157 K158 L159 | Q151-T155 WeakPolarHBondContact O-CB 3.47Å; Q151-T155 PolarHBondContact O-N 2.85Å; Q151-T155 PolarHBondContact O-OG1 2.95Å; L152-T155 PolarHBondContact O-N 3.47Å; T155-K157 VanDerWaalsContact C-N 3.31Å; T155-K157 PolarHBondContact O-N 2.95Å; T155-K158 PolarHBondContact O-N 2.88Å; T155-K158 VanDerWaalsContact O-N 3.14Å; T155-L159 HydrophobicContact CG2-CD1 4.39Å; T155-L159 WeakPolarHBondContact O-CG 3.33Å; T155-L159 PolarHBondContact O-N 3.3Å |
| 156 | K | 94.6 | Very high | 84.9 | Confident | 131 Ų | 131 | 104.9 Ų | 104.9 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -55.3 | -47.1 | 173.6 | 179.7 | 176 | 179.1 | 177.7 | 0 | 111 | L152 H153 K158 L159 L160 | L152-K156 WeakPolarHBondContact O-CB 3.41Å; L152-K156 PolarHBondContact O-N 3.01Å; H153-K156 PolarHBondContact O-N 3Å; K156-K158 VanDerWaalsContact C-N 3.34Å; K156-K158 PolarHBondContact O-N 3.42Å; K156-L159 PolarHBondContact O-N 3.08Å; K156-L160 HydrophobicContact CG-CD1 3.79Å; K156-L160 WeakPolarHBondContact O-CD1 3.41Å; K156-L160 PolarHBondContact O-N 3.42Å |
| 157 | K | 93.6 | Very high | 82.3 | Confident | 166 Ų | 166 | 106.1 Ų | 106.1 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.5 | -42.1 | 177.4 | -173.6 | 178.2 | 178.5 | 180 | 0 | 112 | H153 A154 T155 A161 | H153-K157 WeakPolarHBondContact O-CB 3.46Å; H153-K157 PolarHBondContact O-N 2.81Å; A154-K157 PolarHBondContact O-N 2.98Å; T155-K157 VanDerWaalsContact C-N 3.31Å; T155-K157 PolarHBondContact O-N 2.95Å; K157-A161 VanDerWaalsContact O-CB 3.26Å; K157-A161 WeakPolarHBondContact O-CB 3.4Å; K157-A161 PolarHBondContact O-N 3.43Å |
| 158 | K | 92.6 | Very high | 79.8 | Confident | 161 Ų | 161 | 104.5 Ų | 104.5 | 70% | 0.7 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.7 | -43 | 176.1 | -72.9 | 177.1 | -179.8 | -176.3 | 0 | 112.5 | A154 T155 K156 A161 G162 | A154-K158 WeakPolarHBondContact O-CG 3.38Å; A154-K158 PolarHBondContact O-N 3.36Å; T155-K158 PolarHBondContact O-N 2.88Å; T155-K158 VanDerWaalsContact O-N 3.14Å; K156-K158 VanDerWaalsContact C-N 3.34Å; K156-K158 PolarHBondContact O-N 3.42Å; K158-A161 PolarHBondContact O-N 2.89Å; K158-G162 PolarHBondContact O-N 2.92Å |
| 159 | L | 91.4 | Very high | 78 | Confident | 118 Ų | 118 | 106.5 Ų | 106.5 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.6 | -45.8 | 176.4 | -70.2 | 174 | 0 | 0 | 0 | 111.6 | T155 K156 A161 G162 S163 | T155-L159 HydrophobicContact CG2-CD1 4.39Å; T155-L159 WeakPolarHBondContact O-CG 3.33Å; T155-L159 PolarHBondContact O-N 3.3Å; K156-L159 PolarHBondContact O-N 3.08Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 2.99Å; L159-G162 PolarHBondContact O-N 3.28Å; L159-S163 PolarHBondContact O-N 3.22Å; L159-S163 PolarHBondContact O-OG 3.46Å |
| 160 | L | 87.6 | Confident | 75.4 | Confident | 112 Ų | 112 | 110.7 Ų | 110.7 | 59% | 0.586 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.7 | -36.9 | 176.8 | -89.2 | 74.9 | 0 | 0 | 0 | 112.3 | K156 | K156-L160 HydrophobicContact CG-CD1 3.79Å; K156-L160 WeakPolarHBondContact O-CD1 3.41Å; K156-L160 PolarHBondContact O-N 3.42Å |
| 161 | A | 79.2 | Confident | 72.9 | Confident | 69 Ų | 69 | 113.8 Ų | 113.8 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.1 | -32.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K157 K158 L159 | K157-A161 VanDerWaalsContact O-CB 3.26Å; K157-A161 WeakPolarHBondContact O-CB 3.4Å; K157-A161 PolarHBondContact O-N 3.43Å; K158-A161 PolarHBondContact O-N 2.89Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 2.99Å |
| 162 | G | 63.7 | Low | 70.5 | Confident | 62 Ų | 62 | 113.9 Ų | 113.9 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.8 | -23.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K158 L159 S164 | K158-G162 PolarHBondContact O-N 2.92Å; L159-G162 PolarHBondContact O-N 3.28Å; G162-S164 VanDerWaalsContact C-N 3.27Å |
| 163 | S | 57.4 | Low | 68.4 | Low | 111 Ų | 111 | 113.8 Ų | 113.8 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 7.5 | 172.2 | -68.8 | 0 | 0 | 0 | 0 | 113.9 | L159 | L159-S163 PolarHBondContact O-N 3.22Å; L159-S163 PolarHBondContact O-OG 3.46Å |
| 164 | S | 51.3 | Low | 66 | Low | 67 Ų | 67 | 116.1 Ų | 116.1 | 47% | 0.469 | 69% | 0.693 | S | S | . | * | trans | -125.3 | 57.9 | 179.8 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | G162 | G162-S164 VanDerWaalsContact C-N 3.27Š| ||
| 165 | S | 49.6 | Very low | 63.6 | Low | 116 Ų | 116 | 118.6 Ų | 118.6 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -91.7 | 129.7 | 140.9 | -83.3 | 0 | 0 | 0 | 0 | 106.4 | ||
| 166 | E | 47.3 | Very low | 61.5 | Low | 201 Ų | 201 | 119.8 Ų | 119.8 | 94% | 0.939 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 82.3 | 61.8 | -163.1 | -61.1 | -88.8 | 142.6 | 0 | 0 | 115.2 | ||
| 167 | A | 44 | Very low | 59.2 | Low | 81 Ų | 81 | 124.6 Ų | 124.6 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | trans | -165.7 | 122.9 | 138.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 168 | S | 44.7 | Very low | 57.1 | Low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | -52 | 155.4 | -175.8 | -92.2 | 0 | 0 | 0 | 0 | 116.9 | N170 | S168-N170 PolarHBondContact O-N 2.87Š| ||
| 169 | P | 60.4 | Low | 55 | Low | 126 Ų | 126 | 124.4 Ų | 124.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -89.9 | 99.5 | 173.1 | 35.1 | -26.6 | 0 | 0 | 0 | 109.9 | ||||
| 170 | N | 45.4 | Very low | 53.1 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | -168.3 | 109.7 | 160.6 | -136.2 | -7.6 | 0 | 0 | 0 | 108.8 | S168 | S168-N170 PolarHBondContact O-N 2.87Š| ||
| 171 | V | 45.1 | Very low | 52 | Low | 141 Ų | 141 | 124.8 Ų | 124.8 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | -167.7 | 130.5 | 100.2 | -153.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 172 | S | 47.8 | Very low | 51.4 | Low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -63.7 | 169.7 | 170.4 | -71.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 173 | P | 52.7 | Low | 51.3 | Low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -87 | 139.6 | -152.6 | 34.9 | -31.7 | 0 | 0 | 0 | 112.5 | ||||
| 174 | I | 45.8 | Very low | 50.8 | Low | 171 Ų | 171 | 129 Ų | 129 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -100.9 | 111.3 | 170.7 | -51.5 | 167.1 | 0 | 0 | 0 | 108.1 | ||||
| 175 | S | 46.5 | Very low | 50.3 | Low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -55.8 | 161 | 167.6 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 176 | S | 51.3 | Low | 50 | Low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | 92.1 | 61 | 155.6 | 73.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 177 | Y | 46.6 | Very low | 49.9 | Very low | 233 Ų | 233 | 138 Ų | 138 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -121.5 | 111.1 | 130.5 | -70.8 | -83.6 | 0 | 0 | 0 | 107.2 | P179 | Y177-P179 VanDerWaalsContact O-CD 3.24Å; Y177-P179 WeakPolarHBondContact O-CD 3.5Å | ||
| 178 | K | 48.7 | Very low | 49.6 | Very low | 206 Ų | 206 | 141.3 Ų | 141.3 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 113.1 | 167.8 | -85.1 | -177.1 | 174 | -174.1 | 0 | 107.5 | ||||
| 179 | P | 48.8 | Very low | 49.8 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -71.8 | 130.4 | 152.5 | -4.1 | 23.9 | 0 | 0 | 0 | 107.1 | Y177 | Y177-P179 VanDerWaalsContact O-CD 3.24Å; Y177-P179 WeakPolarHBondContact O-CD 3.5Å | ||
| 180 | T | 52.1 | Low | 48.8 | Very low | 129 Ų | 129 | 143 Ų | 143 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -43.5 | 129.2 | 172.4 | -39.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 181 | P | 63 | Low | 49.2 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 135.7 | 175.5 | 15.4 | -11.4 | 0 | 0 | 0 | 110 | ||
| 182 | P | 67.8 | Low | 49.5 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 146.6 | 165.9 | 27.9 | -31.7 | 0 | 0 | 0 | 109.3 | A184 | P182-A184 PolarHBondContact O-N 2.96Š|
| 183 | P | 60.5 | Low | 49.9 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 137.1 | -178.5 | 24.4 | -32.9 | 0 | 0 | 0 | 111 | K185 | P183-K185 PolarHBondContact O-N 3.34Š|
| 184 | A | 46.6 | Very low | 50.2 | Low | 93 Ų | 93 | 152.1 Ų | 152.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -54.9 | 109.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P182 | P182-A184 PolarHBondContact O-N 2.96Š| ||
| 185 | K | 41.8 | Very low | 50.3 | Low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -91.9 | 86.6 | 150.3 | -82.5 | -176 | 177.5 | 179 | 0 | 106.5 | P183 R187 | P183-K185 PolarHBondContact O-N 3.34Å; K185-R187 VanDerWaalsContact C-N 3.25Å; K185-R187 PolarHBondContact O-N 2.92Å | ||
| 186 | D | 43 | Very low | 50.3 | Low | 151 Ų | 151 | 157.3 Ų | 157.3 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -59.4 | 100.1 | 155.1 | -94.5 | -34.3 | 0 | 0 | 0 | 107.4 | Q188 | D186-Q188 VanDerWaalsContact C-N 3.31Å; D186-Q188 PolarHBondContact O-N 2.74Å; D186-Q188 VanDerWaalsContact O-N 3.17Å | ||
| 187 | R | 45.9 | Very low | 50.3 | Low | 231 Ų | 231 | 159.5 Ų | 159.5 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -73.3 | 91.7 | 160.3 | -73.3 | -176.8 | 170.6 | -174.5 | -2 | 106.7 | K185 | K185-R187 VanDerWaalsContact C-N 3.25Å; K185-R187 PolarHBondContact O-N 2.92Å | ||
| 188 | Q | 37.9 | Very low | 50.9 | Low | 149 Ų | 149 | 158.1 Ų | 158.1 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | trans | -63 | 132.9 | 148.2 | -80.8 | -69.9 | -42.8 | 0 | 0 | 107.9 | D186 E190 | D186-Q188 VanDerWaalsContact C-N 3.31Å; D186-Q188 PolarHBondContact O-N 2.74Å; D186-Q188 VanDerWaalsContact O-N 3.17Å; Q188-E190 PolarHBondContact O-N 3.42Å | ||
| 189 | P | 49 | Very low | 51 | Low | 112 Ų | 112 | 153.5 Ų | 153.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -75.4 | 81.7 | 165.7 | 31 | -28.9 | 0 | 0 | 0 | 107.9 | T191 | P189-T191 VanDerWaalsContact C-N 3.27Å; P189-T191 PolarHBondContact O-N 2.82Å | ||
| 190 | E | 38.6 | Very low | 51.1 | Low | 165 Ų | 165 | 156.6 Ų | 156.6 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | -71.7 | 90.5 | 168.7 | -156.6 | 91.5 | -157.7 | 0 | 0 | 107.3 | Q188 P192 | Q188-E190 PolarHBondContact O-N 3.42Å; E190-P192 VanDerWaalsContact O-CD 3.27Å; E190-P192 WeakPolarHBondContact O-CD 3.4Å | ||
| 191 | T | 53.4 | Low | 51.1 | Low | 101 Ų | 101 | 156 Ų | 156 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | trans | -54.9 | 126.7 | 162.5 | 55.7 | 0 | 0 | 0 | 0 | 107.7 | P189 R193 | P189-T191 VanDerWaalsContact C-N 3.27Å; P189-T191 PolarHBondContact O-N 2.82Å; T191-R193 PolarHBondContact O-N 2.92Å | ||
| 192 | P | 51.2 | Low | 50.2 | Low | 136 Ų | 136 | 158.8 Ų | 158.8 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -73 | 68.8 | 168.6 | -14.9 | 30.9 | 0 | 0 | 0 | 109.3 | E190 R194 | E190-P192 VanDerWaalsContact O-CD 3.27Å; E190-P192 WeakPolarHBondContact O-CD 3.4Å; P192-R194 PolarHBondContact O-N 3.38Å; P192-R194 VanDerWaalsContact O-N 3.08Å | ||
| 193 | R | 56.5 | Low | 49.2 | Very low | 226 Ų | 226 | 159.5 Ų | 159.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -78.7 | 95.3 | 172.4 | -142 | 177 | -173 | -179.1 | 2 | 107 | T191 R195 | T191-R193 PolarHBondContact O-N 2.92Å; R193-R195 PolarHBondContact O-N 3.44Å | ||
| 194 | R | 59 | Low | 48.5 | Very low | 240 Ų | 240 | 161.6 Ų | 161.6 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 26.6 | 93.4 | 153.4 | -76.8 | 174.3 | 126.8 | -167 | 0.5 | 114.8 | P192 | P192-R194 PolarHBondContact O-N 3.38Å; P192-R194 VanDerWaalsContact O-N 3.08Å | ||
| 195 | R | 48.2 | Very low | 48.2 | Very low | 201 Ų | 201 | 164.6 Ų | 164.6 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | -133.8 | 88.9 | 141.9 | -158.4 | 176.7 | -174 | -172 | 5.4 | 108.3 | R193 K197 | R193-R195 PolarHBondContact O-N 3.44Å; R195-K197 HydrophobicContact CG-CG 4.02Å; R195-K197 VanDerWaalsContact NE-CE 3.35Å; R195-K197 PolarHBondContact O-N 3.29Å | ||
| 196 | M | 47.2 | Very low | 48.3 | Very low | 180 Ų | 180 | 160.5 Ų | 160.5 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -60.9 | 90.1 | 160.5 | -70.2 | -179 | 69.4 | 0 | 0 | 107.3 | K198 | M196-K198 PolarHBondContact O-N 3.49Š| ||
| 197 | K | 50.4 | Low | 48.2 | Very low | 142 Ų | 142 | 161.3 Ų | 161.3 | 62% | 0.617 | 80% | 0.795 | S | S | * | * | trans | -82.2 | 103.1 | 159.9 | -77.2 | -122.7 | 178.6 | 175.1 | 0 | 106 | R195 S199 | R195-K197 HydrophobicContact CG-CG 4.02Å; R195-K197 VanDerWaalsContact NE-CE 3.35Å; R195-K197 PolarHBondContact O-N 3.29Å; K197-S199 PolarHBondContact O-N 2.96Å | ||
| 198 | K | 58.6 | Low | 48.3 | Very low | 204 Ų | 204 | 153.5 Ų | 153.5 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -29.7 | 98.1 | 162.3 | -27 | -178.5 | -172.8 | -176.1 | 0 | 110.4 | M196 | M196-K198 PolarHBondContact O-N 3.49Š| ||
| 199 | S | 51.4 | Low | 48.7 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -141.4 | 67 | 162.5 | -57.4 | 0 | 0 | 0 | 0 | 106.1 | K197 | K197-S199 PolarHBondContact O-N 2.96Š| ||
| 200 | L | 51 | Low | 48.8 | Very low | 180 Ų | 180 | 149 Ų | 149 | 94% | 0.942 | 75% | 0.745 | S | S | * | * | trans | -120.9 | 59.3 | 173 | -129.8 | 127.7 | 0 | 0 | 0 | 107.3 | ||||
| 201 | S | 51.7 | Low | 49.6 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | -150.5 | 60.1 | 172.6 | 61.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 202 | Q | 45.2 | Very low | 49.8 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -128.3 | 116.5 | 157.1 | -157 | 166.5 | 15.9 | 0 | 0 | 104.1 | L204 | Q202-L204 PolarHBondContact O-N 3.38Š|
| 203 | P | 45.6 | Very low | 50.1 | Low | 128 Ų | 128 | 146.6 Ų | 146.6 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | trans | -57.7 | 111 | 176.8 | -22.8 | 33.2 | 0 | 0 | 0 | 107.8 | H205 | P203-H205 PolarHBondContact O-N 2.91Š| ||
| 204 | L | 45.4 | Very low | 49.7 | Very low | 167 Ų | 167 | 142 Ų | 142 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | trans | -62.3 | 128.5 | 162.2 | -66.6 | 176.1 | 0 | 0 | 0 | 105.4 | Q202 | Q202-L204 PolarHBondContact O-N 3.38Š| ||
| 205 | H | 41 | Very low | 50 | Low | 156 Ų | 156 | 131.2 Ų | 131.2 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | trans | -27.7 | 140.2 | 175.5 | -160.1 | -85.5 | 0 | 0 | 0 | 113 | P203 E207 | P203-H205 PolarHBondContact O-N 2.91Å; H205-E207 PolarHBondContact O-N 2.68Å | ||
| 206 | P | 44 | Very low | 50.5 | Low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 67% | 0.673 | S | S | * | * | trans | -58.4 | 101.7 | 176.2 | 22.9 | -31 | 0 | 0 | 0 | 109.3 | L208 | P206-L208 PolarHBondContact O-N 3.45Å; P206-L208 VanDerWaalsContact O-N 3.14Å | ||
| 207 | E | 41.1 | Very low | 51.1 | Low | 168 Ų | 168 | 124.9 Ų | 124.9 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | -73.7 | 100.1 | 174.6 | -80.4 | -83.3 | 173.7 | 0 | 0 | 106.6 | H205 T209 | H205-E207 PolarHBondContact O-N 2.68Å; E207-T209 PolarHBondContact O-N 2.97Å; E207-T209 VanDerWaalsContact O-N 3.08Å | ||
| 208 | L | 47.9 | Very low | 51.6 | Low | 68 Ų | 68 | 120.7 Ų | 120.7 | 36% | 0.356 | 65% | 0.654 | S | S | . | * | trans | -58.3 | 111.2 | 175.5 | -72.5 | 152.7 | 0 | 0 | 0 | 108.3 | P206 E210 R224 | P206-L208 PolarHBondContact O-N 3.45Å; P206-L208 VanDerWaalsContact O-N 3.14Å; L208-E210 PolarHBondContact O-N 2.92Å; L208-R224 HydrophobicContact CD2-CB 4.49Å | ||
| 209 | T | 46.3 | Very low | 51.4 | Low | 86 Ų | 86 | 119.8 Ų | 119.8 | 53% | 0.528 | 65% | 0.645 | S | S | . | * | trans | -74.2 | 111.6 | 176.1 | -62.9 | 0 | 0 | 0 | 0 | 108.7 | E207 V211 | E207-T209 PolarHBondContact O-N 2.97Å; E207-T209 VanDerWaalsContact O-N 3.08Å; T209-V211 HydrophobicContact CG2-CG2 4.1Å; T209-V211 PolarHBondContact O-N 2.85Å; T209-V211 VanDerWaalsContact O-N 3.1Å | ||
| 210 | E | 50.8 | Low | 51.7 | Low | 80 Ų | 80 | 122.9 Ų | 122.9 | 37% | 0.374 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.5 | 98.1 | 176.1 | -67.6 | -176.8 | 174.7 | 0 | 0 | 110.1 | L208 Y212 V222 R224 | L208-E210 PolarHBondContact O-N 2.92Å; E210-Y212 HydrophobicContact CB-CE2 3.99Å; E210-Y212 WeakPolarHBondContact O-CD2 3.15Å; E210-Y212 PolarHBondContact OE2-OH 3.33Å; E210-V222 HydrophobicContact CG-CG1 4.3Å; E210-R224 IonicContact OE1-CZ 2.84Å; E210-R224 IonicContact OE1-NE 3.41Å; E210-R224 IonicContact OE1-NH2 3.72Å; E210-R224 PolarHBondContact OE1-NH2 3.17Å |
| 211 | V | 56.7 | Low | 52 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 46% | 0.461 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 112.5 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | T209 R213 | T209-V211 HydrophobicContact CG2-CG2 4.1Å; T209-V211 PolarHBondContact O-N 2.85Å; T209-V211 VanDerWaalsContact O-N 3.1Å; V211-R213 PolarHBondContact O-N 3.4Å |
| 212 | Y | 56.5 | Low | 52.2 | Low | 111 Ų | 111 | 116.9 Ų | 116.9 | 44% | 0.435 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 108.4 | 175.3 | -66 | -94 | 0 | 0 | 0 | 109.2 | E210 V222 | E210-Y212 HydrophobicContact CB-CE2 3.99Å; E210-Y212 WeakPolarHBondContact O-CD2 3.15Å; E210-Y212 PolarHBondContact OE2-OH 3.33Å; Y212-V222 HydrophobicContact CD1-CG2 4.31Å; Y212-V222 HydrophobicContact CE1-CG2 3.91Å |
| 213 | R | 58.8 | Low | 52.7 | Low | 164 Ų | 164 | 113 Ų | 113 | 62% | 0.619 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 140.9 | 163.9 | -80.4 | -167.6 | -172.9 | 109.1 | -0.7 | 110.2 | V211 I221 | V211-R213 PolarHBondContact O-N 3.4Å; R213-I221 PolarHBondContact O-N 2.85Å |
| 214 | L | 47.2 | Very low | 53 | Low | 130 Ų | 130 | 113.6 Ų | 113.6 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 118.4 | 174.8 | -158.6 | 68 | 0 | 0 | 0 | 108.4 | R220 | L214-R220 HydrophobicContact CD1-CG 4.1Å |
| 215 | G | 64.6 | Low | 53.3 | Low | 13 Ų | 13 | 111.3 Ų | 111.3 | 13% | 0.134 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -71.7 | 162.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D217 G218 R219 | G215-D217 PolarHBondContact O-N 2.94Å; G215-D217 VanDerWaalsContact O-N 3.1Å; G215-G218 PolarHBondContact O-N 3.47Å; G215-R219 PolarHBondContact N-O 2.9Å; G215-R219 VanDerWaalsContact N-O 3.13Å |
| 216 | P | 58.4 | Low | 53.7 | Low | 146 Ų | 146 | 109 Ų | 109 | 95% | 0.948 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -14.5 | -179.9 | 26.4 | -33.7 | 0 | 0 | 0 | 113.9 | ||
| 217 | D | 61.3 | Low | 54.3 | Low | 103 Ų | 103 | 109.4 Ų | 109.4 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 7.5 | 176.7 | 56.6 | -36.2 | 0 | 0 | 0 | 113.4 | G215 R219 | G215-D217 PolarHBondContact O-N 2.94Å; G215-D217 VanDerWaalsContact O-N 3.1Å; D217-R219 PolarHBondContact O-N 3.21Å |
| 218 | G | 60.5 | Low | 55.3 | Low | 53 Ų | 53 | 108.7 Ų | 108.7 | 55% | 0.546 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 75.7 | 3.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | G215 | G215-G218 PolarHBondContact O-N 3.47Š|
| 219 | R | 54.3 | Low | 56.3 | Low | 186 Ų | 186 | 109.2 Ų | 109.2 | 70% | 0.702 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 140.1 | 175.5 | -62.5 | -178.5 | -179.3 | -154.7 | 1.1 | 110.1 | G215 D217 I221 | G215-R219 PolarHBondContact N-O 2.9Å; G215-R219 VanDerWaalsContact N-O 3.13Å; D217-R219 PolarHBondContact O-N 3.21Å; R219-I221 PolarHBondContact O-N 2.87Å |
| 220 | R | 57.4 | Low | 57.6 | Low | 173 Ų | 173 | 113.2 Ų | 113.2 | 65% | 0.653 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.6 | 177.6 | -62.3 | 178.7 | 83.3 | -176.1 | 2.7 | 108.7 | L214 | L214-R220 HydrophobicContact CD1-CG 4.1Å |
| 221 | I | 58.4 | Low | 58.4 | Low | 94 Ų | 94 | 114.8 Ų | 114.8 | 48% | 0.482 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.9 | 175.2 | -61.1 | 172.4 | 0 | 0 | 0 | 107.5 | R213 R219 | R213-I221 PolarHBondContact O-N 2.85Å; R219-I221 PolarHBondContact O-N 2.87Å |
| 222 | V | 55.7 | Low | 59.2 | Low | 76 Ų | 76 | 114.5 Ų | 114.5 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 106.6 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | E210 Y212 | E210-V222 HydrophobicContact CG-CG1 4.3Å; Y212-V222 HydrophobicContact CD1-CG2 4.31Å; Y212-V222 HydrophobicContact CE1-CG2 3.91Å |
| 223 | L | 55.4 | Low | 59.9 | Low | 88 Ų | 88 | 115 Ų | 115 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.2 | 173.4 | -171.3 | 67.4 | 0 | 0 | 0 | 108.5 | E225 | L223-E225 PolarHBondContact O-N 3.35Å |
| 224 | R | 51.8 | Low | 60.2 | Low | 141 Ų | 141 | 110 Ų | 110 | 53% | 0.532 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 96.7 | 171.3 | -78 | -145 | 172 | -165.6 | -4.7 | 109 | L208 E210 | L208-R224 HydrophobicContact CD2-CB 4.49Å; E210-R224 IonicContact OE1-CZ 2.84Å; E210-R224 IonicContact OE1-NE 3.41Å; E210-R224 IonicContact OE1-NH2 3.72Å; E210-R224 PolarHBondContact OE1-NH2 3.17Å |
| 225 | E | 51.3 | Low | 61.2 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 56% | 0.556 | 59% | 0.594 | S | S | * | * | trans | -99.7 | 126.4 | 175.6 | -163.7 | 166.6 | -169.8 | 0 | 0 | 109.2 | L223 V227 | L223-E225 PolarHBondContact O-N 3.35Å; E225-V227 PolarHBondContact O-N 3.49Å; E225-V227 VanDerWaalsContact O-N 3.16Å | ||
| 226 | P | 50.3 | Low | 61.1 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 71% | 0.708 | 63% | 0.626 | S | S | * | * | trans | -68 | 112.2 | 173.3 | 26.3 | -29.6 | 0 | 0 | 0 | 108.4 | D228 | P226-D228 PolarHBondContact O-N 3.19Š| ||
| 227 | V | 55.6 | Low | 61.2 | Low | 113 Ų | 113 | 115 Ų | 115 | 69% | 0.685 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 121.5 | 174 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | E225 A229 | E225-V227 PolarHBondContact O-N 3.49Å; E225-V227 VanDerWaalsContact O-N 3.16Å; V227-A229 PolarHBondContact O-N 2.81Å |
| 228 | D | 63.3 | Low | 61.2 | Low | 153 Ų | 153 | 116.2 Ų | 116.2 | 82% | 0.818 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127.3 | 171.3 | -165.4 | 16.3 | 0 | 0 | 0 | 108.5 | P226 M230 | P226-D228 PolarHBondContact O-N 3.19Å; D228-M230 PolarHBondContact O-N 2.93Å |
| 229 | A | 67 | Low | 60.8 | Low | 80 Ų | 80 | 117.5 Ų | 117.5 | 66% | 0.661 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 133.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | V227 | V227-A229 PolarHBondContact O-N 2.81Š|
| 230 | M | 74.3 | Confident | 60.7 | Low | 169 Ų | 169 | 112.2 Ų | 112.2 | 83% | 0.833 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 134.6 | 177.3 | -86.6 | -177.9 | 35.5 | 0 | 0 | 110.1 | D228 D232 | D228-M230 PolarHBondContact O-N 2.93Å; M230-D232 PolarHBondContact O-N 2.86Å |
| 231 | P | 68.8 | Low | 60.4 | Low | 113 Ų | 113 | 115.2 Ų | 115.2 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 137.5 | 179.4 | 22.7 | -31.8 | 0 | 0 | 0 | 109.8 | P233 | P231-P233 VanDerWaalsContact O-N 3.16Š|
| 232 | D | 72.6 | Confident | 59.3 | Low | 71 Ų | 71 | 119.3 Ų | 119.3 | 38% | 0.38 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -49.7 | 121.3 | -178.1 | -179.2 | -14.6 | 0 | 0 | 0 | 109.5 | M230 T234 P235 Q238 | M230-D232 PolarHBondContact O-N 2.86Å; D232-T234 PolarHBondContact O-N 3.49Å; D232-T234 WeakPolarHBondContact OD1-CA 3.24Å; D232-T234 PolarHBondContact OD1-N 3.07Å; D232-T234 PolarHBondContact OD1-OG1 3.06Å; D232-P235 WeakPolarHBondContact O-CD 3.42Å; D232-Q238 PolarHBondContact OD2-NE2 3.14Å |
| 233 | P | 70.1 | Confident | 58.2 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 79% | 0.786 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -66.3 | -5 | -179.4 | 28 | -35.7 | 0 | 0 | 0 | 113.3 | P231 | P231-P233 VanDerWaalsContact O-N 3.16Š|
| 234 | T | 66.3 | Low | 57.6 | Low | 60 Ų | 60 | 121.8 Ų | 121.8 | 37% | 0.368 | 68% | 0.68 | S | S | . | * | trans | -132.2 | 59.1 | -174.4 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | D232 F236 L237 | D232-T234 PolarHBondContact O-N 3.49Å; D232-T234 WeakPolarHBondContact OD1-CA 3.24Å; D232-T234 PolarHBondContact OD1-N 3.07Å; D232-T234 PolarHBondContact OD1-OG1 3.06Å; T234-F236 PolarHBondContact O-N 2.94Å; T234-L237 HydrophobicContact CG2-CD1 3.7Å; T234-L237 HydrophobicContact CG2-CG 4.29Å; T234-L237 PolarHBondContact O-N 3.42Å; T234-L237 VanDerWaalsContact O-N 3.14Å | ||
| 235 | P | 67.4 | Low | 56.7 | Low | 75 Ų | 75 | 122.4 Ų | 122.4 | 49% | 0.487 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -62.7 | -22.5 | -177.6 | 27.6 | -34.6 | 0 | 0 | 0 | 112.9 | D232 | D232-P235 WeakPolarHBondContact O-CD 3.42Š|
| 236 | F | 62.9 | Low | 56.1 | Low | 180 Ų | 180 | 120.2 Ų | 120.2 | 79% | 0.789 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -85.3 | -11.2 | -177.5 | -48.3 | -73.1 | 0 | 0 | 0 | 114.1 | T234 Q238 | T234-F236 PolarHBondContact O-N 2.94Å; F236-Q238 VanDerWaalsContact C-N 3.33Å |
| 237 | L | 61.5 | Low | 55.4 | Low | 139 Ų | 139 | 123.6 Ų | 123.6 | 73% | 0.728 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -84.5 | -10.5 | -179.6 | -63.8 | -175.8 | 0 | 0 | 0 | 113 | T234 | T234-L237 HydrophobicContact CG2-CD1 3.7Å; T234-L237 HydrophobicContact CG2-CG 4.29Å; T234-L237 PolarHBondContact O-N 3.42Å; T234-L237 VanDerWaalsContact O-N 3.14Å |
| 238 | Q | 59.8 | Low | 54.9 | Low | 127 Ų | 127 | 127.5 Ų | 127.5 | 59% | 0.593 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -91.2 | -10.4 | -177.2 | -59.4 | -171.8 | -1.4 | 0 | 0 | 113.8 | D232 F236 G240 R241 | D232-Q238 PolarHBondContact OD2-NE2 3.14Å; F236-Q238 VanDerWaalsContact C-N 3.33Å; Q238-G240 PolarHBondContact O-N 3.38Å; Q238-R241 PolarHBondContact O-N 2.92Å |
| 239 | A | 53.3 | Low | 53.9 | Low | 80 Ų | 80 | 126.8 Ų | 126.8 | 66% | 0.661 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 7.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 240 | G | 52.4 | Low | 53 | Low | 75 Ų | 75 | 129.4 Ų | 129.4 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 6.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q238 | Q238-G240 PolarHBondContact O-N 3.38Š|
| 241 | R | 50.5 | Low | 51.3 | Low | 237 Ų | 237 | 132.9 Ų | 132.9 | 89% | 0.894 | 72% | 0.724 | S | S | * | * | trans | -133.6 | 60.8 | -176.9 | -145 | -177.8 | -151 | -116.1 | 4.7 | 112 | Q238 | Q238-R241 PolarHBondContact O-N 2.92Š| ||
| 242 | E | 35.6 | Very low | 49.9 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | -77.8 | 116.5 | 170 | -52.1 | -89.9 | 144.3 | 0 | 0 | 108.6 | ||||
| 243 | S | 32.2 | Very low | 48.5 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -108.2 | 140.7 | 149.6 | 72.6 | 0 | 0 | 0 | 0 | 107.7 | D245 | S243-D245 PolarHBondContact O-N 3.34Š| ||
| 244 | P | 43.1 | Very low | 47.3 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -80 | 125.2 | -176.2 | 33.3 | -29.8 | 0 | 0 | 0 | 109 | ||||
| 245 | D | 33.3 | Very low | 46.4 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | 169.1 | 138.5 | 120.7 | -84.5 | -32.8 | 0 | 0 | 0 | 111.7 | S243 | S243-D245 PolarHBondContact O-N 3.34Š| |||
| 246 | A | 37.3 | Very low | 45.6 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 60% | 0.595 | 79% | 0.787 | S | S | * | * | trans | 73.7 | 101.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 247 | H | 36.1 | Very low | 45.1 | Very low | 180 Ų | 180 | 147 Ų | 147 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | 174 | 121.7 | 90 | -83.9 | -67.1 | 0 | 0 | 0 | 110.8 | V249 | H247-V249 PolarHBondContact O-N 3.02Š| |||
| 248 | H | 46.3 | Very low | 44.8 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | -56.1 | 122.9 | 165.1 | -75.3 | -101.4 | 0 | 0 | 0 | 110.7 | ||||
| 249 | V | 41.3 | Very low | 44.7 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -137.1 | 118.1 | 150.8 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | H247 R251 | H247-V249 PolarHBondContact O-N 3.02Å; V249-R251 PolarHBondContact O-N 3.4Å | ||
| 250 | V | 47.8 | Very low | 44.6 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -49.2 | 122.8 | 171.4 | 173.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 251 | R | 39.3 | Very low | 44 | Very low | 242 Ų | 242 | 149.9 Ų | 149.9 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -141.6 | 99.3 | 156.7 | -148.2 | 176.8 | -176.3 | -162.7 | 0.9 | 110.6 | V249 | V249-R251 PolarHBondContact O-N 3.4Š| ||
| 252 | E | 38.8 | Very low | 43.6 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 125.3 | 169.3 | -163.5 | 175.4 | -166.6 | 0 | 0 | 110.7 | ||
| 253 | R | 44.2 | Very low | 43.8 | Very low | 237 Ų | 237 | 143.7 Ų | 143.7 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 123.6 | 169.2 | -108.7 | -175.3 | 178 | 148.6 | -0.2 | 107.9 | A255 | R253-A255 PolarHBondContact O-N 2.93Š|
| 254 | P | 45 | Very low | 44.2 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 121.8 | 163.9 | 27.5 | -29.4 | 0 | 0 | 0 | 109 | ||
| 255 | A | 47.2 | Very low | 43.9 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -81.3 | 115.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | R253 | R253-A255 PolarHBondContact O-N 2.93Š| ||
| 256 | V | 50.8 | Low | 44.5 | Very low | 125 Ų | 125 | 148 Ų | 148 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -121.7 | 86.3 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 257 | I | 51.3 | Low | 44.9 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 82% | 0.821 | 82% | 0.82 | S | S | * | * | trans | -148.7 | 116.8 | 141.6 | -51.8 | -177.6 | 0 | 0 | 0 | 106.8 | ||||
| 258 | P | 55.5 | Low | 45.5 | Very low | 102 Ų | 102 | 149 Ų | 149 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 151 | 171.7 | 28.3 | -30.5 | 0 | 0 | 0 | 111.5 | I260 | P258-I260 PolarHBondContact O-N 3.44Š|
| 259 | P | 58.5 | Low | 45.5 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 131 | 179.3 | 28.1 | -32.5 | 0 | 0 | 0 | 110.8 | A261 | P259-A261 PolarHBondContact O-N 2.95Š|
| 260 | I | 49.7 | Very low | 45.4 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 119.8 | 172.4 | -56.2 | 170.9 | 0 | 0 | 0 | 107.7 | P258 S262 | P258-I260 PolarHBondContact O-N 3.44Å; I260-S262 PolarHBondContact O-N 3.47Å |
| 261 | A | 40.5 | Very low | 44.7 | Very low | 88 Ų | 88 | 144 Ų | 144 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 122.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P259 D263 | P259-A261 PolarHBondContact O-N 2.95Å; A261-D263 PolarHBondContact O-N 3.3Å |
| 262 | S | 42.3 | Very low | 44.5 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -68.6 | 114.3 | 166.8 | -78.5 | 0 | 0 | 0 | 0 | 109.6 | I260 R264 | I260-S262 PolarHBondContact O-N 3.47Å; S262-R264 PolarHBondContact O-N 3.47Å | ||
| 263 | D | 39.1 | Very low | 44.3 | Very low | 169 Ų | 169 | 135 Ų | 135 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 94.9 | 165.2 | -94.1 | -29.2 | 0 | 0 | 0 | 109.6 | A261 | A261-D263 PolarHBondContact O-N 3.3Š| ||
| 264 | R | 40.7 | Very low | 43.9 | Very low | 235 Ų | 235 | 128.1 Ų | 128.1 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -94.5 | 91.1 | 160.7 | -171 | 177.8 | -175.2 | -163.8 | 0.8 | 107.2 | S262 P266 | S262-R264 PolarHBondContact O-N 3.47Å; R264-P266 WeakPolarHBondContact O-CD 3.26Å | ||
| 265 | S | 36.5 | Very low | 43.3 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 128 | 172.4 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 266 | P | 45.8 | Very low | 43.4 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 144.5 | 170.2 | 28.4 | -24.6 | 0 | 0 | 0 | 112 | R264 | R264-P266 WeakPolarHBondContact O-CD 3.26Š|
| 267 | I | 46.7 | Very low | 42.7 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 139.8 | -179.8 | -61.6 | 157.5 | 0 | 0 | 0 | 112.4 | ||
| 268 | P | 48.4 | Very low | 41.9 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 156.1 | 153.3 | 35 | -27.5 | 0 | 0 | 0 | 112 | ||
| 269 | P | 47.4 | Very low | 41.2 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 165.2 | -166 | 36.9 | -34.8 | 0 | 0 | 0 | 114.7 | ||
| 270 | L | 37.8 | Very low | 40.8 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | 77.5 | 113.4 | 156.3 | -69.4 | 146 | 0 | 0 | 0 | 118.9 | ||||
| 271 | G | 33.8 | Very low | 40.2 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 151.3 | 110.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 272 | A | 33.7 | Very low | 40.1 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -56.8 | 149.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 273 | V | 35.9 | Very low | 39.8 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | 167.6 | 129.9 | 97.4 | 168.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 274 | A | 34.8 | Very low | 40 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 71.1 | 109.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 275 | S | 33.3 | Very low | 40.1 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -61.7 | -179.3 | 143.8 | -88.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 276 | P | 48.4 | Very low | 40.5 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | cis | -138.1 | 162.3 | -6.4 | 22.6 | 2.4 | 0 | 0 | 0 | 116.5 | ||||
| 277 | R | 37.3 | Very low | 40.3 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | 28.8 | 122.4 | 135.4 | -56.4 | -177.8 | 167.8 | -151.6 | -4 | 119.9 | ||||
| 278 | H | 34 | Very low | 40.2 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | -161.5 | 120.3 | 122.7 | -129.2 | -79 | 0 | 0 | 0 | 111.9 | |||||
| 279 | S | 39.7 | Very low | 40.1 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -108 | 148.7 | 148.5 | -50.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 280 | P | 50.9 | Low | 40.4 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | -145.9 | 171.1 | 110.6 | 31.3 | -10.8 | 0 | 0 | 0 | 114.3 | |||||
| 281 | A | 37.4 | Very low | 40.8 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -71.1 | 158.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 282 | R | 38.3 | Very low | 41.9 | Very low | 224 Ų | 224 | 147.8 Ų | 147.8 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | 156.9 | 146.1 | 140.6 | -97.2 | -175.5 | 175.1 | -176 | -0.9 | 107.1 | ||||
| 283 | E | 36.4 | Very low | 42.7 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | cis | -172.1 | 158.1 | 9 | 175.1 | 160 | -169.5 | 0 | 0 | 106 | ||||
| 284 | R | 43 | Very low | 43 | Very low | 219 Ų | 219 | 149.7 Ų | 149.7 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -53.9 | 146.3 | -178.9 | -65.4 | 171.8 | 171.7 | -178 | -4.4 | 112 | ||||
| 285 | Q | 42.2 | Very low | 43.9 | Very low | 194 Ų | 194 | 156.7 Ų | 156.7 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | -168.9 | 120.6 | 120 | -101.1 | 166.3 | 17.7 | 0 | 0 | 111.2 | |||||
| 286 | H | 45.1 | Very low | 44.5 | Very low | 187 Ų | 187 | 158 Ų | 158 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -61.4 | 130.4 | 168.6 | -57.5 | -73.5 | 0 | 0 | 0 | 109.7 | ||||
| 287 | R | 41.9 | Very low | 44.3 | Very low | 235 Ų | 235 | 158.6 Ų | 158.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -123.8 | 111.5 | 164.5 | -154.8 | 170.9 | -172.1 | 179.6 | 1.5 | 109.7 | ||||
| 288 | A | 43.7 | Very low | 44.5 | Very low | 85 Ų | 85 | 156.3 Ų | 156.3 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | -56.8 | 140.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V290 | A288-V290 PolarHBondContact O-N 3Š| ||
| 289 | H | 47 | Very low | 44.8 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -69.6 | 115.8 | 171.4 | -55.1 | -52.2 | 0 | 0 | 0 | 109.2 | G291 | H289-G291 PolarHBondContact O-N 3.23Š| ||
| 290 | V | 52.9 | Low | 45.1 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -81.4 | 111.4 | 173.5 | 175.8 | 0 | 0 | 0 | 0 | 107.6 | A288 V292 | A288-V290 PolarHBondContact O-N 3Å; V290-V292 PolarHBondContact O-N 2.85Å | ||
| 291 | G | 47 | Very low | 45.1 | Very low | 70 Ų | 70 | 152.7 Ų | 152.7 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -68.5 | 124.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H289 A293 | H289-G291 PolarHBondContact O-N 3.23Å; G291-A293 PolarHBondContact O-N 3.45Å | ||
| 292 | V | 56.4 | Low | 45.4 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | trans | -80 | 108.7 | 172.9 | 175.1 | 0 | 0 | 0 | 0 | 108 | V290 | V290-V292 PolarHBondContact O-N 2.85Š| ||
| 293 | A | 51.3 | Low | 45.6 | Very low | 91 Ų | 91 | 151.9 Ų | 151.9 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 122.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G291 R295 | G291-A293 PolarHBondContact O-N 3.45Å; A293-R295 PolarHBondContact O-N 3.39Å |
| 294 | H | 42.3 | Very low | 45.9 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 116.1 | 170.1 | -72.8 | -86.3 | 0 | 0 | 0 | 109.8 | ||
| 295 | R | 52.4 | Low | 46 | Very low | 240 Ų | 240 | 143.7 Ų | 143.7 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -95 | 122.1 | 165.3 | -106.3 | -176.7 | 179.1 | 166.2 | 0.2 | 108.9 | A293 | A293-R295 PolarHBondContact O-N 3.39Š|
| 296 | I | 46.7 | Very low | 46 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 72% | 0.723 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 124.3 | 169.2 | -58.3 | 171.1 | 0 | 0 | 0 | 107.8 | ||
| 297 | P | 45.4 | Very low | 45.6 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 126 | 168.5 | 9 | 6.9 | 0 | 0 | 0 | 110.4 | ||
| 298 | H | 39.8 | Very low | 45.4 | Very low | 188 Ų | 188 | 134 Ų | 134 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -81.5 | 112.5 | 164.4 | -67.1 | -74.9 | 0 | 0 | 0 | 109 | ||||
| 299 | G | 41.6 | Very low | 45.2 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -107.9 | 140.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 300 | T | 46.3 | Very low | 45 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60 | 159.4 | 179.5 | 11 | 0 | 0 | 0 | 0 | 114.3 | ||
| 301 | P | 49.8 | Very low | 44.4 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 147.8 | -165 | 34.3 | -33.1 | 0 | 0 | 0 | 113 | ||
| 302 | P | 44.4 | Very low | 44 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 149.8 | 171.6 | 33.9 | -29.8 | 0 | 0 | 0 | 112.8 | ||
| 303 | L | 42.9 | Very low | 43.3 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 156.3 | 178.8 | -169.5 | 65.3 | 0 | 0 | 0 | 112.7 | ||
| 304 | A | 40.9 | Very low | 42.8 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 68% | 0.678 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 156 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 305 | P | 46.2 | Very low | 42.9 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 147.9 | -177.2 | 33.5 | -33.3 | 0 | 0 | 0 | 113.6 | ||
| 306 | P | 42.5 | Very low | 42.6 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 171.7 | 157.4 | 35.4 | -27.2 | 0 | 0 | 0 | 111.7 | ||
| 307 | Q | 37 | Very low | 42.5 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 153.6 | -154.6 | -58.9 | -179.4 | -65.4 | 0 | 0 | 116.9 | ||
| 308 | A | 37.4 | Very low | 42.3 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -79 | 122.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 309 | E | 39.4 | Very low | 42 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -99 | 120.1 | 159.4 | -70.6 | -178.2 | 164.9 | 0 | 0 | 107.5 | ||
| 310 | L | 42 | Very low | 41.7 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -92 | 104.6 | 175 | -72.9 | 165.8 | 0 | 0 | 0 | 108.2 | ||||
| 311 | E | 40.7 | Very low | 41.2 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -84.8 | 108.8 | 164.7 | -109.7 | -179.2 | 163.3 | 0 | 0 | 109.1 | L313 | E311-L313 PolarHBondContact O-N 2.91Š| ||
| 312 | T | 39.6 | Very low | 40.9 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -82.1 | 106.7 | 177.3 | -20.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 313 | L | 40.5 | Very low | 40.6 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 121.4 | 171 | -102.9 | 148.5 | 0 | 0 | 0 | 110 | E311 | E311-L313 PolarHBondContact O-N 2.91Š|
| 314 | A | 41 | Very low | 40.4 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 133.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 315 | V | 43.9 | Very low | 40.2 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 123.1 | 167.7 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | ||
| 316 | D | 47.4 | Very low | 40 | Very low | 146 Ų | 146 | 155.6 Ų | 155.6 | 78% | 0.781 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 137.9 | -179.2 | -166.8 | 18.5 | 0 | 0 | 0 | 111.8 | ||
| 317 | Q | 43.3 | Very low | 39.8 | Very low | 181 Ų | 181 | 160.4 Ų | 160.4 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 126.7 | -178.3 | -67.7 | 178.2 | 38 | 0 | 0 | 109 | ||
| 318 | V | 41.2 | Very low | 40.2 | Very low | 143 Ų | 143 | 156.1 Ų | 156.1 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -123.5 | 134 | 161.2 | -156.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 319 | N | 34.7 | Very low | 40.4 | Very low | 125 Ų | 125 | 160.5 Ų | 160.5 | 67% | 0.668 | 83% | 0.828 | S | S | * | * | trans | -91.6 | 146.7 | -150.9 | -154.3 | 29.3 | 0 | 0 | 0 | 112.7 | ||||
| 320 | E | 35.5 | Very low | 40.9 | Very low | 146 Ų | 146 | 156.1 Ų | 156.1 | 68% | 0.682 | 82% | 0.824 | S | S | * | * | trans | 54.8 | 147.7 | 154.7 | -27.3 | -157.3 | 141.9 | 0 | 0 | 119.1 | ||||
| 321 | D | 35.7 | Very low | 41.2 | Very low | 133 Ų | 133 | 155.5 Ų | 155.5 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | cis | -172.2 | 162.7 | 27.3 | -139.1 | -13.9 | 0 | 0 | 0 | 109.8 | ||||
| 322 | K | 42.5 | Very low | 41.9 | Very low | 188 Ų | 188 | 157.5 Ų | 157.5 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | 80.7 | 95.2 | 170.4 | -58.5 | -179.2 | 176.6 | -170.4 | 0 | 118.9 | ||||
| 323 | V | 38.3 | Very low | 42.6 | Very low | 146 Ų | 146 | 156.7 Ų | 156.7 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -136.8 | 121.1 | 133.2 | -178 | 0 | 0 | 0 | 0 | 110.1 | Q325 | V323-Q325 PolarHBondContact O-N 3.46Š| ||
| 324 | L | 39.5 | Very low | 42.9 | Very low | 175 Ų | 175 | 158.7 Ų | 158.7 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -60.7 | 114.7 | 173.2 | -77.5 | 153.2 | 0 | 0 | 0 | 110.9 | ||||
| 325 | Q | 36.9 | Very low | 43 | Very low | 183 Ų | 183 | 161.7 Ų | 161.7 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -81.7 | 120.4 | 166 | -172.2 | 178.5 | 13.3 | 0 | 0 | 109.4 | V323 | V323-Q325 PolarHBondContact O-N 3.46Š| ||
| 326 | K | 41.1 | Very low | 42.9 | Very low | 185 Ų | 185 | 162.8 Ų | 162.8 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -162.5 | 113.9 | 153.5 | -110.7 | 167.6 | -172.9 | -179.1 | 0 | 112.9 | ||||
| 327 | R | 39 | Very low | 42.7 | Very low | 225 Ų | 225 | 163.8 Ų | 163.8 | 85% | 0.849 | 84% | 0.838 | S | S | * | * | trans | 64.7 | 114 | 140.8 | -65.8 | -173.9 | 176.5 | -171.9 | -2.5 | 117.9 | ||||
| 328 | S | 44.2 | Very low | 42.6 | Very low | 105 Ų | 105 | 162.8 Ų | 162.8 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | 70.9 | 100.4 | 81.5 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 329 | E | 42.7 | Very low | 42.7 | Very low | 187 Ų | 187 | 164 Ų | 164 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | -173.9 | 133 | 114.9 | -106.4 | 167.1 | 167.3 | 0 | 0 | 109.8 | |||||
| 330 | A | 48.4 | Very low | 43.3 | Very low | 100 Ų | 100 | 166.6 Ų | 166.6 | 83% | 0.826 | 85% | 0.847 | S | S | * | * | trans | -74.7 | 134.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 331 | D | 49.5 | Very low | 43.8 | Very low | 153 Ų | 153 | 168.1 Ų | 168.1 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | -143.2 | 131.6 | 152.7 | -142.7 | -8.5 | 0 | 0 | 0 | 111.9 | ||||
| 332 | R | 54.6 | Low | 44.5 | Very low | 239 Ų | 239 | 170.8 Ų | 170.8 | 90% | 0.902 | 87% | 0.87 | S | S | * | * | trans | -113.4 | 111 | -178.1 | -99.1 | -178.5 | 158.2 | 168.2 | -4.6 | 106.2 | ||||
| 333 | T | 54.9 | Low | 44.6 | Very low | 124 Ų | 124 | 169.3 Ų | 169.3 | 76% | 0.761 | 88% | 0.875 | S | S | * | * | trans | -172.2 | 135.4 | 164 | 22.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 334 | V | 46.2 | Very low | 45.2 | Very low | 210 Ų | 210 | 171.5 Ų | 171.5 | 100% | 1.273 | 87% | 0.874 | S | S | * | * | cis | -142.8 | 0 | 16.6 | 171.1 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 334 of 334 residues in 399.9 ms
(Link to these results)