| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.5 | Low | 55.4 | Low | 235 Ų | 235 | 135.4 Ų | 135.4 | 100% | 1.158 | 67% | 0.667 | S | S | * | * | 0 | 146.6 | 0 | -66.8 | 156.7 | 81.2 | 0 | 0 | 108.6 | |||||
| 2 | S | 51.2 | Low | 56.1 | Low | 74 Ų | 74 | 129.6 Ų | 129.6 | 52% | 0.517 | 65% | 0.65 | S | S | . | * | trans | -78.1 | 137.8 | -174.4 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | R4 A5 | S2-R4 PolarHBondContact O-N 2.73Å; S2-R4 VanDerWaalsContact O-N 3.09Å; S2-A5 WeakPolarHBondContact O-CB 3.48Å; S2-A5 PolarHBondContact O-N 3.02Å | ||
| 3 | L | 46.8 | Very low | 56.5 | Low | 135 Ų | 135 | 126.8 Ų | 126.8 | 71% | 0.707 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.2 | -22 | -179.4 | -145.6 | 71.5 | 0 | 0 | 0 | 113.4 | K7 | L3-K7 PolarHBondContact O-N 3.07Å |
| 4 | R | 52.5 | Low | 56.8 | Low | 217 Ų | 217 | 123.5 Ų | 123.5 | 82% | 0.819 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.1 | -36.6 | 173.9 | -57 | -173.1 | -164.5 | -168.1 | 5.1 | 112.3 | S2 K7 G8 | S2-R4 PolarHBondContact O-N 2.73Å; S2-R4 VanDerWaalsContact O-N 3.09Å; R4-K7 PolarHBondContact O-N 3.29Å; R4-G8 PolarHBondContact O-N 2.74Å |
| 5 | A | 50.1 | Low | 57.7 | Low | 54 Ų | 54 | 119.1 Ų | 119.1 | 45% | 0.446 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.5 | -41.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S2 G8 W9 | S2-A5 WeakPolarHBondContact O-CB 3.48Å; S2-A5 PolarHBondContact O-N 3.02Å; A5-G8 PolarHBondContact O-N 3.01Å; A5-W9 PolarHBondContact O-N 2.74Å |
| 6 | V | 57.8 | Low | 58.5 | Low | 84 Ų | 84 | 118.1 Ų | 118.1 | 51% | 0.509 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.8 | -44.7 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 111 | G8 W9 V10 | V6-G8 PolarHBondContact O-N 3.46Å; V6-W9 PolarHBondContact O-N 2.9Å; V6-V10 WeakPolarHBondContact O-CG2 3.49Å; V6-V10 PolarHBondContact O-N 2.66Å |
| 7 | K | 57.1 | Low | 59.2 | Low | 147 Ų | 147 | 118 Ų | 118 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62 | -41.4 | 175.5 | -72.7 | -171.1 | 175.8 | -171 | 0 | 112.6 | L3 R4 V10 W11 | L3-K7 PolarHBondContact O-N 3.07Å; R4-K7 PolarHBondContact O-N 3.29Å; K7-V10 PolarHBondContact O-N 3.28Å; K7-W11 PolarHBondContact O-N 2.86Å |
| 8 | G | 54.9 | Low | 59.9 | Low | 42 Ų | 42 | 113.6 Ų | 113.6 | 43% | 0.433 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.9 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | R4 A5 V6 W11 S12 | R4-G8 PolarHBondContact O-N 2.74Å; A5-G8 PolarHBondContact O-N 3.01Å; V6-G8 PolarHBondContact O-N 3.46Å; G8-W11 PolarHBondContact O-N 2.97Å; G8-S12 WeakPolarHBondContact O-CB 3.43Å; G8-S12 PolarHBondContact O-N 3.24Å |
| 9 | W | 64.1 | Low | 60.6 | Low | 193 Ų | 193 | 114.1 Ų | 114.1 | 73% | 0.731 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64 | -43.3 | 175.2 | -88.5 | 56.3 | 0 | 0 | 0 | 112.7 | A5 V6 W11 S12 L13 | A5-W9 PolarHBondContact O-N 2.74Å; V6-W9 PolarHBondContact O-N 2.9Å; W9-W11 PolarHBondContact O-N 3Å; W9-S12 PolarHBondContact O-N 3.47Å; W9-L13 HydrophobicContact CE3-CD1 4.45Å; W9-L13 WeakPolarHBondContact O-CD1 3.49Å; W9-L13 PolarHBondContact O-N 3.01Å |
| 10 | V | 62.9 | Low | 61.4 | Low | 91 Ų | 91 | 114.2 Ų | 114.2 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.7 | -42.7 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | V6 K7 S14 | V6-V10 WeakPolarHBondContact O-CG2 3.49Å; V6-V10 PolarHBondContact O-N 2.66Å; K7-V10 PolarHBondContact O-N 3.28Å; V10-S14 WeakPolarHBondContact O-CB 3.28Å; V10-S14 PolarHBondContact O-N 3.29Å |
| 11 | W | 61.9 | Low | 61.9 | Low | 217 Ų | 217 | 115.3 Ų | 115.3 | 82% | 0.822 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.4 | -42.3 | 174.5 | -92.6 | 41.5 | 0 | 0 | 0 | 112.5 | K7 G8 W9 S14 A15 | K7-W11 PolarHBondContact O-N 2.86Å; G8-W11 PolarHBondContact O-N 2.97Å; W9-W11 PolarHBondContact O-N 3Å; W11-S14 PolarHBondContact O-N 3.47Å; W11-A15 PolarHBondContact O-N 3.08Å |
| 12 | S | 63.3 | Low | 62.9 | Low | 66 Ų | 66 | 110.9 Ų | 110.9 | 46% | 0.462 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -44.2 | 178.7 | -167.5 | 0 | 0 | 0 | 0 | 112.5 | G8 W9 S14 A15 L16 | G8-S12 WeakPolarHBondContact O-CB 3.43Å; G8-S12 PolarHBondContact O-N 3.24Å; W9-S12 PolarHBondContact O-N 3.47Å; S12-S14 VanDerWaalsContact C-N 3.34Å; S12-S14 PolarHBondContact O-N 3.08Å; S12-A15 PolarHBondContact O-N 3.43Å; S12-L16 WeakPolarHBondContact O-CG 3.48Å; S12-L16 PolarHBondContact O-N 3.22Å |
| 13 | L | 61.5 | Low | 64.1 | Low | 93 Ų | 93 | 112.7 Ų | 112.7 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.1 | -41 | 172.9 | -97.1 | 76.1 | 0 | 0 | 0 | 111.9 | W9 A15 L16 L17 | W9-L13 HydrophobicContact CE3-CD1 4.45Å; W9-L13 WeakPolarHBondContact O-CD1 3.49Å; W9-L13 PolarHBondContact O-N 3.01Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 2.94Å; L13-L16 PolarHBondContact O-N 3.09Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 2.87Å |
| 14 | S | 60.8 | Low | 65.4 | Low | 81 Ų | 81 | 112.4 Ų | 112.4 | 57% | 0.566 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -35.7 | 178.8 | -165.5 | 0 | 0 | 0 | 0 | 112.5 | V10 W11 S12 G18 | V10-S14 WeakPolarHBondContact O-CB 3.28Å; V10-S14 PolarHBondContact O-N 3.29Å; W11-S14 PolarHBondContact O-N 3.47Å; S12-S14 VanDerWaalsContact C-N 3.34Å; S12-S14 PolarHBondContact O-N 3.08Å; S14-G18 PolarHBondContact O-N 3.02Å; S14-G18 VanDerWaalsContact O-N 3.16Å |
| 15 | A | 69.7 | Low | 66.3 | Low | 58 Ų | 58 | 107 Ų | 107 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.6 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | W11 S12 L13 G18 Q19 | W11-A15 PolarHBondContact O-N 3.08Å; S12-A15 PolarHBondContact O-N 3.43Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 2.94Å; A15-G18 PolarHBondContact O-N 3.3Å; A15-Q19 PolarHBondContact O-N 2.95Å |
| 16 | L | 71.8 | Confident | 67 | Low | 103 Ų | 103 | 107.2 Ų | 107.2 | 54% | 0.539 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.2 | -39 | 177.1 | -73.6 | 167 | 0 | 0 | 0 | 112.5 | S12 L13 Q19 L20 | S12-L16 WeakPolarHBondContact O-CG 3.48Å; S12-L16 PolarHBondContact O-N 3.22Å; L13-L16 PolarHBondContact O-N 3.09Å; L16-Q19 PolarHBondContact O-N 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 PolarHBondContact O-N 3.39Å |
| 17 | L | 69.1 | Low | 67.1 | Low | 116 Ų | 116 | 108.4 Ų | 108.4 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -37.1 | 173.8 | -84.1 | 159.4 | 0 | 0 | 0 | 112.4 | L13 F21 | L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 2.87Å; L17-F21 WeakPolarHBondContact O-CB 3.42Å; L17-F21 PolarHBondContact O-N 3.24Å; L17-F21 VanDerWaalsContact O-N 3.09Å |
| 18 | G | 72.3 | Confident | 67 | Low | 39 Ų | 39 | 108.5 Ų | 108.5 | 40% | 0.402 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.6 | -50 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S14 A15 L20 F21 E22 | S14-G18 PolarHBondContact O-N 3.02Å; S14-G18 VanDerWaalsContact O-N 3.16Å; A15-G18 PolarHBondContact O-N 3.3Å; G18-L20 PolarHBondContact O-N 3.46Å; G18-F21 WeakPolarHBondContact O-CB 3.43Å; G18-F21 PolarHBondContact O-N 2.85Å; G18-E22 PolarHBondContact O-N 2.85Å |
| 19 | Q | 74.1 | Confident | 66.7 | Low | 123 Ų | 123 | 111.7 Ų | 111.7 | 58% | 0.575 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62 | -42.1 | 178.1 | -71.1 | 179.7 | -12.9 | 0 | 0 | 112.4 | A15 L16 F21 E22 I23 | A15-Q19 PolarHBondContact O-N 2.95Å; L16-Q19 PolarHBondContact O-N 3.25Å; Q19-F21 VanDerWaalsContact C-N 3.26Å; Q19-F21 PolarHBondContact O-N 3.27Å; Q19-E22 PolarHBondContact O-N 3.36Å; Q19-I23 VanDerWaalsContact O-CG1 3.29Å; Q19-I23 WeakPolarHBondContact O-CG1 3.39Å; Q19-I23 PolarHBondContact O-N 3Å |
| 20 | L | 76.1 | Confident | 66.2 | Low | 116 Ų | 116 | 106 Ų | 106 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66 | -30.3 | 178 | -168 | 66.7 | 0 | 0 | 0 | 112.3 | L16 G18 K24 | L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 PolarHBondContact O-N 3.39Å; G18-L20 PolarHBondContact O-N 3.46Å; L20-K24 WeakPolarHBondContact O-CB 3.45Å; L20-K24 PolarHBondContact O-N 3.33Å |
| 21 | F | 70.8 | Confident | 65.4 | Low | 137 Ų | 137 | 109.7 Ų | 109.7 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.8 | -46.8 | 173.5 | -174.6 | -98.5 | 0 | 0 | 0 | 111.9 | L17 G18 Q19 K24 M25 | L17-F21 WeakPolarHBondContact O-CB 3.42Å; L17-F21 PolarHBondContact O-N 3.24Å; L17-F21 VanDerWaalsContact O-N 3.09Å; G18-F21 WeakPolarHBondContact O-CB 3.43Å; G18-F21 PolarHBondContact O-N 2.85Å; Q19-F21 VanDerWaalsContact C-N 3.26Å; Q19-F21 PolarHBondContact O-N 3.27Å; F21-K24 PolarHBondContact O-N 3.43Å; F21-M25 HydrophobicContact CD1-CG 4.14Å; F21-M25 HydrophobicContact CE1-CG 3.78Å; F21-M25 HydrophobicContact CE1-SD 4.47Å; F21-M25 HydrophobicContact CE2-CG 4.43Å; F21-M25 HydrophobicContact CZ-CG 3.94Å; F21-M25 HydrophobicContact CZ-SD 4.08Å; F21-M25 WeakPolarHBondContact O-CG 3.36Å; F21-M25 PolarHBondContact O-N 2.84Å |
| 22 | E | 71.7 | Confident | 64.6 | Low | 143 Ų | 143 | 105.5 Ų | 105.5 | 67% | 0.668 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62 | -45 | 177.5 | -73.2 | -165.8 | 160.4 | 0 | 0 | 112.5 | G18 Q19 K24 M25 A26 | G18-E22 PolarHBondContact O-N 2.85Å; Q19-E22 PolarHBondContact O-N 3.36Å; E22-K24 VanDerWaalsContact C-N 3.26Å; E22-K24 PolarHBondContact O-N 2.99Å; E22-M25 PolarHBondContact O-N 2.93Å; E22-M25 VanDerWaalsContact O-N 3.14Å; E22-A26 PolarHBondContact O-N 3.12Å |
| 23 | I | 76.6 | Confident | 63.7 | Low | 112 Ų | 112 | 110.1 Ų | 110.1 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -55.5 | -44.3 | 175.8 | -68.8 | 165.1 | 0 | 0 | 0 | 110.5 | Q19 M25 A26 E27 | Q19-I23 VanDerWaalsContact O-CG1 3.29Å; Q19-I23 WeakPolarHBondContact O-CG1 3.39Å; Q19-I23 PolarHBondContact O-N 3Å; I23-M25 PolarHBondContact O-N 3.33Å; I23-A26 PolarHBondContact O-N 2.82Å; I23-E27 WeakPolarHBondContact O-CB 3.43Å; I23-E27 PolarHBondContact O-N 3.37Å |
| 24 | K | 75.2 | Confident | 62.6 | Low | 129 Ų | 129 | 115.2 Ų | 115.2 | 56% | 0.561 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.2 | -25.8 | -178.9 | -166.4 | 155 | -159.8 | 69 | 0 | 114 | L20 F21 E22 E27 K28 | L20-K24 WeakPolarHBondContact O-CB 3.45Å; L20-K24 PolarHBondContact O-N 3.33Å; F21-K24 PolarHBondContact O-N 3.43Å; E22-K24 VanDerWaalsContact C-N 3.26Å; E22-K24 PolarHBondContact O-N 2.99Å; K24-E27 IonicContact NZ-OE2 2.77Å; K24-E27 PolarHBondContact NZ-OE2 2.85Å; K24-K28 PolarHBondContact O-N 2.9Å |
| 25 | M | 71.4 | Confident | 61.1 | Low | 104 Ų | 104 | 114.7 Ų | 114.7 | 51% | 0.512 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -75.4 | -38.4 | 172 | -69.3 | -63.6 | -67.6 | 0 | 0 | 111.5 | F21 E22 I23 K28 T29 | F21-M25 HydrophobicContact CD1-CG 4.14Å; F21-M25 HydrophobicContact CE1-CG 3.78Å; F21-M25 HydrophobicContact CE1-SD 4.47Å; F21-M25 HydrophobicContact CE2-CG 4.43Å; F21-M25 HydrophobicContact CZ-CG 3.94Å; F21-M25 HydrophobicContact CZ-SD 4.08Å; F21-M25 WeakPolarHBondContact O-CG 3.36Å; F21-M25 PolarHBondContact O-N 2.84Å; E22-M25 PolarHBondContact O-N 2.93Å; E22-M25 VanDerWaalsContact O-N 3.14Å; I23-M25 PolarHBondContact O-N 3.33Å; M25-K28 PolarHBondContact O-N 3.28Å; M25-T29 PolarHBondContact O-N 3.45Å; M25-T29 PolarHBondContact O-OG1 3.38Å |
| 26 | A | 64.6 | Low | 59.3 | Low | 58 Ų | 58 | 118.9 Ų | 118.9 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.3 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E22 I23 K28 T29 A30 | E22-A26 PolarHBondContact O-N 3.12Å; I23-A26 PolarHBondContact O-N 2.82Å; A26-K28 VanDerWaalsContact C-N 3.28Å; A26-K28 PolarHBondContact O-N 3.23Å; A26-T29 WeakPolarHBondContact CA-OG1 3.38Å; A26-T29 PolarHBondContact O-N 2.88Å; A26-T29 VanDerWaalsContact O-N 3.14Å; A26-T29 PolarHBondContact O-OG1 3.46Å; A26-A30 PolarHBondContact O-N 2.61Å |
| 27 | E | 59.7 | Low | 57.3 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 51% | 0.505 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -51 | -48.2 | 171.6 | 179.8 | 178.8 | -122.1 | 0 | 0 | 110.8 | I23 K24 T29 A30 | I23-E27 WeakPolarHBondContact O-CB 3.43Å; I23-E27 PolarHBondContact O-N 3.37Å; K24-E27 IonicContact NZ-OE2 2.77Å; K24-E27 PolarHBondContact NZ-OE2 2.85Å; E27-T29 VanDerWaalsContact C-N 3.31Å; E27-T29 PolarHBondContact O-N 3.29Å; E27-A30 PolarHBondContact O-N 3.48Å; E27-A30 VanDerWaalsContact O-N 3.14Å |
| 28 | K | 54 | Low | 55.5 | Low | 150 Ų | 150 | 121.8 Ų | 121.8 | 65% | 0.652 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.2 | -20.6 | -178.3 | -168 | 170.1 | -178 | -179.7 | 0 | 114.6 | K24 M25 A26 | K24-K28 PolarHBondContact O-N 2.9Å; M25-K28 PolarHBondContact O-N 3.28Å; A26-K28 VanDerWaalsContact C-N 3.28Å; A26-K28 PolarHBondContact O-N 3.23Å |
| 29 | T | 50.1 | Low | 53.5 | Low | 109 Ų | 109 | 126 Ų | 126 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.8 | -17.5 | 172.1 | 40.9 | 0 | 0 | 0 | 0 | 113.8 | M25 A26 E27 | M25-T29 PolarHBondContact O-N 3.45Å; M25-T29 PolarHBondContact O-OG1 3.38Å; A26-T29 WeakPolarHBondContact CA-OG1 3.38Å; A26-T29 PolarHBondContact O-N 2.88Å; A26-T29 VanDerWaalsContact O-N 3.14Å; A26-T29 PolarHBondContact O-OG1 3.46Å; E27-T29 VanDerWaalsContact C-N 3.31Å; E27-T29 PolarHBondContact O-N 3.29Å |
| 30 | A | 52 | Low | 51.3 | Low | 72 Ų | 72 | 126.4 Ų | 126.4 | 60% | 0.595 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -82.4 | -30.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A26 E27 V32 | A26-A30 PolarHBondContact O-N 2.61Å; E27-A30 PolarHBondContact O-N 3.48Å; E27-A30 VanDerWaalsContact O-N 3.14Å; A30-V32 PolarHBondContact O-N 2.75Å; A30-V32 VanDerWaalsContact O-N 3.17Å |
| 31 | E | 46.8 | Very low | 49.1 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -4.6 | -175.8 | -65.3 | -168.5 | 128.1 | 0 | 0 | 115.1 | ||
| 32 | V | 45.9 | Very low | 47 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -19.1 | -174.8 | -179.6 | 0 | 0 | 0 | 0 | 112.9 | A30 | A30-V32 PolarHBondContact O-N 2.75Å; A30-V32 VanDerWaalsContact O-N 3.17Å |
| 33 | E | 43.9 | Very low | 45.1 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -127 | 77.4 | -172.7 | -170 | 175.6 | -137.1 | 0 | 0 | 112.5 | ||
| 34 | H | 37.1 | Very low | 43 | Very low | 199 Ų | 199 | 128.3 Ų | 128.3 | 92% | 0.921 | 72% | 0.721 | S | S | * | * | trans | -165.2 | 109.1 | 140.3 | -111 | 55.7 | 0 | 0 | 0 | 111.6 | ||||
| 35 | G | 30.3 | Very low | 41 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | -123.5 | 133.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 36 | C | 32.4 | Very low | 38.9 | Very low | 146 Ų | 146 | 127 Ų | 127 | 99% | 0.986 | 74% | 0.744 | S | S | * | * | trans | 59.9 | 111.6 | 167.4 | -153.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 37 | G | 28.4 | Very low | 37.1 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -156.8 | 144.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 38 | R | 32.8 | Very low | 35.8 | Very low | 198 Ų | 198 | 134 Ų | 134 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -128.9 | 144.7 | 179.5 | 167.3 | -176.5 | 168.2 | -147.8 | -4.5 | 109.4 | E40 | R38-E40 IonicContact CZ-OE1 3.38Å; R38-E40 VanDerWaalsContact CZ-OE1 3.29Å; R38-E40 IonicContact CZ-OE2 3.29Å; R38-E40 IonicContact NE-OE1 2.87Å; R38-E40 PolarHBondContact NE-OE1 3.14Å; R38-E40 VanDerWaalsContact NH2-CD 3.28Å; R38-E40 IonicContact NH2-OE1 3.98Å; R38-E40 PolarHBondContact NH2-OE1 3.2Å; R38-E40 IonicContact NH2-OE2 2.61Å; R38-E40 PolarHBondContact NH2-OE2 3.16Å | ||
| 39 | V | 29.1 | Very low | 35.3 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | 162.5 | 135.3 | 151.6 | 150.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 40 | E | 27.9 | Very low | 34.2 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 61% | 0.612 | 79% | 0.788 | S | S | * | * | cis | 107.5 | 108.2 | 14.7 | -161.1 | 160.2 | -67 | 0 | 0 | 113.8 | R38 | R38-E40 IonicContact CZ-OE1 3.38Å; R38-E40 VanDerWaalsContact CZ-OE1 3.29Å; R38-E40 IonicContact CZ-OE2 3.29Å; R38-E40 IonicContact NE-OE1 2.87Å; R38-E40 PolarHBondContact NE-OE1 3.14Å; R38-E40 VanDerWaalsContact NH2-CD 3.28Å; R38-E40 IonicContact NH2-OE1 3.98Å; R38-E40 PolarHBondContact NH2-OE1 3.2Å; R38-E40 IonicContact NH2-OE2 2.61Å; R38-E40 PolarHBondContact NH2-OE2 3.16Å | ||
| 41 | A | 30.6 | Very low | 33.2 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | 59.8 | 136.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 42 | D | 26.9 | Very low | 32.4 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | -164.8 | 175.2 | 105.3 | -150 | -7 | 0 | 0 | 0 | 112.1 | |||||
| 43 | E | 31.7 | Very low | 31.9 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -118.5 | 171.5 | -163.4 | -49.9 | -170.3 | 104.5 | 0 | 0 | 117.9 | ||||
| 44 | T | 32.2 | Very low | 31.1 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 67.9 | 146.4 | 157 | 58.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 45 | S | 32.4 | Very low | 30.8 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -158.1 | -158.1 | -6.2 | -97.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 46 | A | 28.7 | Very low | 30.9 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | cis | -161.2 | -150.5 | 17.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 47 | E | 26.5 | Very low | 30.6 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -61.1 | 135.4 | -170.7 | -58.6 | 174.1 | 117.1 | 0 | 0 | 116.6 | ||||
| 48 | V | 31.4 | Very low | 30.7 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | 60.7 | 121.6 | 65.3 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 49 | P | 43.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -159.4 | 167.9 | 71.2 | 43.9 | -22.8 | 0 | 0 | 0 | 121.6 | |||||
| 50 | S | 28.7 | Very low | 30.5 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 70.6 | 115.9 | 142.1 | -162.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 51 | S | 30.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | -161.4 | 165.9 | 109.4 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 52 | A | 30.1 | Very low | 30.8 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -149.6 | 144.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 53 | Q | 33.9 | Very low | 31.4 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -157.4 | 110.6 | 152 | -114.7 | 174.3 | 14.9 | 0 | 0 | 114.3 | ||||
| 54 | T | 28 | Very low | 31.2 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 34.4 | 122.9 | 134.1 | 60.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 55 | S | 31.1 | Very low | 31.2 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | -147.1 | 160 | 109.9 | -163.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 56 | K | 32 | Very low | 31.2 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -119.3 | 144.7 | -177.4 | -65.6 | 175.5 | 178.9 | 175.3 | 0 | 109.9 | ||||
| 57 | R | 27.2 | Very low | 31.8 | Very low | 226 Ų | 226 | 139.8 Ų | 139.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | 157.2 | 110.5 | 109.9 | -174 | 169.3 | -161.9 | 168.2 | 4.5 | 113.7 | |||||
| 58 | C | 29.4 | Very low | 32.4 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | 51.2 | 150.8 | 139 | -56.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 59 | S | 28.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -173.6 | 163.9 | -14.5 | -95.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | S | 28.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 100.1 | 139 | 161.8 | 88.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 61 | S | 27.6 | Very low | 31.9 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | cis | -157.7 | 136 | -18.5 | 39.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 62 | I | 37 | Very low | 31.8 | Very low | 164 Ų | 164 | 146 Ų | 146 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -73.8 | 146.9 | 174 | -72.9 | 165.8 | 0 | 0 | 0 | 108.4 | ||||
| 63 | P | 41.4 | Very low | 31.7 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | cis | -137.8 | 144.5 | 48.5 | 37.4 | -18.4 | 0 | 0 | 0 | 119.5 | ||||
| 64 | E | 26.8 | Very low | 31.5 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 144 | 140.9 | -68.3 | 175.5 | 108.3 | 0 | 0 | 109.2 | ||||
| 65 | S | 32 | Very low | 31.6 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -113.6 | 119.7 | 172.7 | -68.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 66 | E | 32.9 | Very low | 31.5 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 136 | -179.5 | -166.5 | 172.9 | -142.8 | 0 | 0 | 111.5 | ||
| 67 | P | 40.8 | Very low | 31.3 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 132.1 | -177.9 | 31.2 | -33.5 | 0 | 0 | 0 | 112.4 | ||
| 68 | P | 39 | Very low | 31.5 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 168.1 | -171.8 | 31.9 | -36.6 | 0 | 0 | 0 | 115.7 | ||
| 69 | L | 33 | Very low | 31.6 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 156.8 | -167.1 | -66.5 | 158.4 | 0 | 0 | 0 | 116.8 | ||
| 70 | K | 30.4 | Very low | 31.4 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -1.5 | 137.3 | 154.7 | -65.7 | 175.1 | 176.5 | 175.5 | 0 | 119.5 | ||||
| 71 | C | 30.9 | Very low | 31.4 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -70.2 | 137.2 | 176.4 | -51.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 72 | H | 27.4 | Very low | 31.6 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -142.2 | 164.1 | 144.1 | -74.3 | -80.4 | 0 | 0 | 0 | 105.8 | ||||
| 73 | R | 27.9 | Very low | 31.1 | Very low | 210 Ų | 210 | 142.3 Ų | 142.3 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | cis | -167.5 | 152.4 | 21.1 | -152 | -160.1 | 166.5 | 121.7 | -3.8 | 109.5 | ||||
| 74 | T | 30.3 | Very low | 30.9 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 58% | 0.583 | 80% | 0.8 | S | S | * | * | trans | 51.1 | 151.6 | 146 | 47.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 75 | D | 28.7 | Very low | 31 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | cis | -154 | -174.3 | -7.3 | -96.8 | -28.1 | 0 | 0 | 0 | 106.4 | ||||
| 76 | S | 29.1 | Very low | 31.6 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | cis | -146.6 | -168.8 | 24.5 | -58.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 77 | T | 28.8 | Very low | 31.2 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | cis | -148.8 | 164.8 | 15 | -46.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 78 | L | 31.9 | Very low | 30.7 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -82.8 | 152.5 | -162.1 | -63.2 | 153.1 | 0 | 0 | 0 | 117.3 | ||||
| 79 | S | 30.3 | Very low | 30.4 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 178.8 | 149.4 | 130.2 | -80.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 80 | T | 24.6 | Very low | 30.2 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | cis | -174.3 | 160.8 | -27.1 | -110.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 81 | T | 28.5 | Very low | 30.3 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 66% | 0.656 | 79% | 0.79 | S | S | * | * | trans | 92.2 | 104.3 | 167.6 | -56.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 82 | Q | 31.1 | Very low | 30.2 | Very low | 188 Ų | 188 | 141.6 Ų | 141.6 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | 64.6 | 134.9 | 141.3 | -65.3 | 170.4 | -5.3 | 0 | 0 | 122.8 | ||||
| 83 | A | 27.8 | Very low | 30.2 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -109.5 | 172.8 | 152 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 84 | P | 37.2 | Very low | 30.3 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | -137.7 | 163 | 85.5 | 39.1 | -26.9 | 0 | 0 | 0 | 115.9 | |||||
| 85 | D | 29.4 | Very low | 30.4 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -86.4 | 177.5 | 169 | -149.1 | 32.6 | 0 | 0 | 0 | 109.5 | ||||
| 86 | P | 42.7 | Very low | 30.3 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -127.9 | 179.2 | -7.2 | 33 | -12.9 | 0 | 0 | 0 | 114.3 | ||||
| 87 | G | 25.8 | Very low | 30.3 | Very low | 63 Ų | 63 | 144.2 Ų | 144.2 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 160.2 | 103.6 | 158 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 88 | D | 29.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | 84.2 | 157.1 | 138.9 | -56.8 | -10.9 | 0 | 0 | 0 | 123 | ||||
| 89 | E | 32.4 | Very low | 30.4 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -83.5 | 148.6 | -161.2 | -52.4 | 169.3 | 117 | 0 | 0 | 112.8 | ||||
| 90 | Q | 29.5 | Very low | 30.3 | Very low | 202 Ų | 202 | 148 Ų | 148 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | -147.4 | 108.7 | 156.9 | -120.5 | 169.7 | 28.9 | 0 | 0 | 112.6 | ||||
| 91 | S | 31.8 | Very low | 30.5 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -108.8 | 173.9 | 165.9 | -73.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 92 | E | 30.3 | Very low | 30.8 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | 80.4 | 121.3 | 166.6 | -54.4 | -107.7 | 117.3 | 0 | 0 | 116.5 | ||||
| 93 | T | 27.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 153 Ų | 153 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -107.5 | 157.4 | -173.1 | -41.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 94 | M | 29 | Very low | 31 | Very low | 155 Ų | 155 | 159.3 Ų | 159.3 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | 110.1 | 145.1 | 130.3 | -147.7 | -167.6 | -176.3 | 0 | 0 | 119 | ||||
| 95 | K | 31.9 | Very low | 31.1 | Very low | 169 Ų | 169 | 159.2 Ų | 159.2 | 74% | 0.735 | 82% | 0.815 | S | S | * | * | trans | 78.6 | 141.5 | 168.3 | -49.1 | 178.2 | -170.8 | 170.9 | 0 | 113.5 | ||||
| 96 | Q | 27.3 | Very low | 31.4 | Very low | 163 Ų | 163 | 158.3 Ų | 158.3 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | cis | -145.6 | 157.6 | -1.3 | -138.9 | 164.3 | -89.6 | 0 | 0 | 105.5 | ||||
| 97 | E | 28.4 | Very low | 31.3 | Very low | 168 Ų | 168 | 158.6 Ų | 158.6 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | cis | -166.2 | 174 | 43.5 | -59.3 | 176.9 | 112.7 | 0 | 0 | 108.9 | ||||
| 98 | M | 31.8 | Very low | 32.2 | Very low | 192 Ų | 192 | 161.5 Ų | 161.5 | 95% | 0.946 | 82% | 0.817 | S | S | * | * | 178.8 | 146.9 | 125.2 | -100 | -175.2 | -174.4 | 0 | 0 | 112 | |||||
| 99 | E | 31.2 | Very low | 32.8 | Very low | 182 Ų | 182 | 164.5 Ų | 164.5 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -92.9 | 166.7 | 177.5 | -64.3 | -175.8 | 103.1 | 0 | 0 | 113.1 | ||||
| 100 | T | 29.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 161.9 Ų | 161.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 0.7 | 142.5 | 159 | 66.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 101 | L | 29 | Very low | 34.7 | Very low | 136 Ų | 136 | 161.5 Ų | 161.5 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | -176.6 | 138.2 | 57.1 | -174.8 | 68 | 0 | 0 | 0 | 112.9 | |||||
| 102 | K | 33.7 | Very low | 35.7 | Very low | 188 Ų | 188 | 164 Ų | 164 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | 37 | 121.1 | 157.5 | -64.7 | 169.4 | -178.4 | 170 | 0 | 119.8 | ||||
| 103 | E | 31.1 | Very low | 36.9 | Very low | 194 Ų | 194 | 162.1 Ų | 162.1 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -128.3 | 166.8 | 148.3 | -139.6 | 178.6 | -163 | 0 | 0 | 112.2 | ||||
| 104 | R | 32.8 | Very low | 38.5 | Very low | 221 Ų | 221 | 159.7 Ų | 159.7 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -117.8 | 141.5 | -165.9 | -164.9 | 177.6 | -165.3 | 179.2 | 5.2 | 109.8 | V106 | R104-V106 PolarHBondContact O-N 3Š| ||
| 105 | P | 38 | Very low | 39.4 | Very low | 128 Ų | 128 | 164.6 Ų | 164.6 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122 | -169.6 | 21.2 | -34.4 | 0 | 0 | 0 | 113.6 | ||
| 106 | V | 36.9 | Very low | 40.3 | Very low | 130 Ų | 130 | 167.1 Ų | 167.1 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 131.3 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | R104 | R104-V106 PolarHBondContact O-N 3Š|
| 107 | N | 40.5 | Very low | 41.2 | Very low | 120 Ų | 120 | 169.6 Ų | 169.6 | 64% | 0.642 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 121.2 | -174.4 | -170.4 | -17.1 | 0 | 0 | 0 | 111.3 | R109 | N107-R109 VanDerWaalsContact C-N 3.32Å; N107-R109 PolarHBondContact O-N 3.09Å |
| 108 | P | 44.8 | Very low | 42.2 | Very low | 124 Ų | 124 | 169.3 Ų | 169.3 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 67.1 | -169.3 | 33.3 | -37.9 | 0 | 0 | 0 | 113.7 | ||
| 109 | R | 42.8 | Very low | 43.3 | Very low | 231 Ų | 231 | 164.9 Ų | 164.9 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | -1.5 | 175.9 | -89.7 | -168.4 | 174.4 | -145.2 | -1 | 116.9 | N107 | N107-R109 VanDerWaalsContact C-N 3.32Å; N107-R109 PolarHBondContact O-N 3.09Å |
| 110 | E | 50.1 | Low | 44.5 | Very low | 132 Ų | 132 | 163.8 Ų | 163.8 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -94.2 | -20.3 | -169.6 | -72.3 | -92.3 | 164.4 | 0 | 0 | 115.7 | K113 | E110-K113 WeakPolarHBondContact O-CE 3.29Å; E110-K113 IonicContact OE2-NZ 3.7Å; E110-K113 PolarHBondContact OE2-NZ 2.91Å |
| 111 | Q | 51.8 | Low | 45.7 | Very low | 194 Ų | 194 | 164.2 Ų | 164.2 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -82.4 | -14.9 | -163.3 | -77.6 | -178.1 | -24.1 | 0 | 0 | 116.7 | K113 | Q111-K113 PolarHBondContact O-N 3.37Š|
| 112 | N | 52.6 | Low | 46.9 | Very low | 163 Ų | 163 | 168.4 Ų | 168.4 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -99.5 | 51.9 | -175.5 | -77.7 | -27.9 | 0 | 0 | 0 | 114.2 | S114 | N112-S114 PolarHBondContact O-N 2.85Å; N112-S114 VanDerWaalsContact O-N 3.12Å | ||
| 113 | K | 54.3 | Low | 48.1 | Very low | 156 Ų | 156 | 171.5 Ų | 171.5 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | -82.7 | 82.9 | 176.4 | -69.2 | 172.7 | -173.5 | 165 | 0 | 111 | E110 Q111 | E110-K113 WeakPolarHBondContact O-CE 3.29Å; E110-K113 IonicContact OE2-NZ 3.7Å; E110-K113 PolarHBondContact OE2-NZ 2.91Å; Q111-K113 PolarHBondContact O-N 3.37Å | ||
| 114 | S | 61.7 | Low | 49.8 | Very low | 86 Ų | 86 | 167.2 Ų | 167.2 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | trans | -63.2 | 152.7 | -177.8 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | N112 R116 | N112-S114 PolarHBondContact O-N 2.85Å; N112-S114 VanDerWaalsContact O-N 3.12Å; S114-R116 PolarHBondContact O-N 3.41Å | ||
| 115 | W | 48.1 | Very low | 51.3 | Low | 259 Ų | 259 | 164 Ų | 164 | 98% | 0.981 | 79% | 0.793 | S | S | * | * | trans | -70.2 | 32.4 | -176.4 | -85.1 | 62.6 | 0 | 0 | 0 | 115.8 | R117 | W115-R117 VanDerWaalsContact C-N 3.32Å; W115-R117 PolarHBondContact O-N 2.92Å | ||
| 116 | R | 49.4 | Very low | 52.6 | Low | 221 Ų | 221 | 163.5 Ų | 163.5 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -78.9 | 75.5 | 180 | -73.3 | -172.1 | 176.5 | -99.3 | -0.1 | 112.8 | S114 N118 | S114-R116 PolarHBondContact O-N 3.41Å; R116-N118 PolarHBondContact O-N 3.09Å | ||
| 117 | R | 47.5 | Very low | 53.9 | Low | 215 Ų | 215 | 161.9 Ų | 161.9 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 29.6 | 86.1 | 154.3 | -68.9 | -174.7 | 170.4 | -157.9 | -2.7 | 116.8 | W115 T119 | W115-R117 VanDerWaalsContact C-N 3.32Å; W115-R117 PolarHBondContact O-N 2.92Å; R117-T119 VanDerWaalsContact C-N 3.34Å; R117-T119 HydrophobicContact CB-CG2 4.32Å; R117-T119 PolarHBondContact O-N 3.48Å | ||
| 118 | N | 48.9 | Very low | 54.9 | Low | 162 Ų | 162 | 163.9 Ų | 163.9 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -71.2 | 87.8 | 159.6 | -104.8 | -7.9 | 0 | 0 | 0 | 110.3 | R116 | R116-N118 PolarHBondContact O-N 3.09Š| ||
| 119 | T | 55.3 | Low | 56 | Low | 99 Ų | 99 | 163.4 Ų | 163.4 | 61% | 0.607 | 80% | 0.797 | S | S | * | * | trans | -116.6 | -0.1 | 175.9 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | R117 T121 | R117-T119 VanDerWaalsContact C-N 3.34Å; R117-T119 HydrophobicContact CB-CG2 4.32Å; R117-T119 PolarHBondContact O-N 3.48Å; T119-T121 VanDerWaalsContact C-N 3.35Å; T119-T121 PolarHBondContact O-N 2.93Å | ||
| 120 | I | 56.9 | Low | 57.5 | Low | 160 Ų | 160 | 155.6 Ų | 155.6 | 82% | 0.821 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -6.8 | -163.2 | -133.4 | 165.1 | 0 | 0 | 0 | 115.3 | ||
| 121 | T | 53.4 | Low | 58.5 | Low | 130 Ų | 130 | 151.8 Ų | 151.8 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 4 | -176.2 | 51.7 | 0 | 0 | 0 | 0 | 115.3 | T119 R123 | T119-T121 VanDerWaalsContact C-N 3.35Å; T119-T121 PolarHBondContact O-N 2.93Å; T121-R123 PolarHBondContact O-N 3.16Å |
| 122 | R | 54.7 | Low | 59.7 | Low | 223 Ų | 223 | 149 Ų | 149 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | trans | -76.5 | 110.8 | 168.5 | -76.3 | -172.7 | 178.7 | -108.9 | -0.2 | 108.8 | S124 | R122-S124 PolarHBondContact O-N 2.91Š| ||
| 123 | R | 59.3 | Low | 61 | Low | 253 Ų | 253 | 145.4 Ų | 145.4 | 96% | 0.955 | 72% | 0.72 | S | S | * | * | trans | -56.6 | 107.5 | 156.6 | -74.7 | -177.1 | -179.4 | 162.6 | 0.6 | 106.9 | T121 | T121-R123 PolarHBondContact O-N 3.16Š| ||
| 124 | S | 65.6 | Low | 62.2 | Low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 151.7 | 164.1 | 53.1 | 0 | 0 | 0 | 0 | 108.7 | R122 | R122-S124 PolarHBondContact O-N 2.91Š|
| 125 | L | 64.7 | Low | 63.3 | Low | 154 Ų | 154 | 138.8 Ų | 138.8 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 147.2 | 162.7 | -63.4 | 172.9 | 0 | 0 | 0 | 108.7 | A127 | L125-A127 PolarHBondContact O-N 3.25Š|
| 126 | P | 65.1 | Low | 64.8 | Low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 137.6 | 172.4 | 24.9 | -33.8 | 0 | 0 | 0 | 108.7 | L128 | P126-L128 PolarHBondContact O-N 2.81Š|
| 127 | A | 64.4 | Low | 66.4 | Low | 96 Ų | 96 | 128.1 Ų | 128.1 | 79% | 0.793 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 130.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L125 | L125-A127 PolarHBondContact O-N 3.25Š|
| 128 | L | 61.9 | Low | 68 | Low | 161 Ų | 161 | 121.9 Ų | 121.9 | 84% | 0.843 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.6 | 176.8 | -136.9 | 75.8 | 0 | 0 | 0 | 108.2 | P126 N130 | P126-L128 PolarHBondContact O-N 2.81Å; L128-N130 PolarHBondContact O-N 3.25Å |
| 129 | P | 68.4 | Low | 69.7 | Low | 115 Ų | 115 | 115.2 Ų | 115.2 | 75% | 0.747 | 61% | 0.611 | S | S | * | * | trans | -52.2 | 108.9 | -172.9 | -29.8 | 36.3 | 0 | 0 | 0 | 111.6 | P131 | P129-P131 VanDerWaalsContact O-CD 3.26Å; P129-P131 WeakPolarHBondContact O-CD 3.34Å; P129-P131 VanDerWaalsContact O-N 3.15Å | ||
| 130 | N | 73.5 | Confident | 71 | Confident | 66 Ų | 66 | 113.6 Ų | 113.6 | 35% | 0.353 | 60% | 0.604 | S | S | . | * | trans | -68.5 | 110.7 | -173.7 | 178 | 3.2 | 0 | 0 | 0 | 108.9 | L128 Y132 E133 | L128-N130 PolarHBondContact O-N 3.25Å; N130-Y132 PolarHBondContact O-N 2.88Å; N130-Y132 VanDerWaalsContact O-N 3.16Å; N130-Y132 WeakPolarHBondContact OD1-CD2 3.3Å; N130-Y132 PolarHBondContact OD1-N 3.42Å; N130-E133 HydrophobicContact CB-CB 4.26Å; N130-E133 HydrophobicContact CB-CG 4.12Å; N130-E133 VanDerWaalsContact CB-OE1 3.29Å; N130-E133 WeakPolarHBondContact CB-OE1 3.42Å; N130-E133 PolarHBondContact ND2-OE1 3.02Å; N130-E133 WeakPolarHBondContact O-CB 3.41Å; N130-E133 PolarHBondContact O-N 3.16Å | ||
| 131 | P | 70.4 | Confident | 72 | Confident | 53 Ų | 53 | 111 Ų | 111 | 34% | 0.344 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65 | -26.7 | -172.5 | 27 | -34.7 | 0 | 0 | 0 | 111.8 | P129 E133 T134 L135 | P129-P131 VanDerWaalsContact O-CD 3.26Å; P129-P131 WeakPolarHBondContact O-CD 3.34Å; P129-P131 VanDerWaalsContact O-N 3.15Å; P131-E133 VanDerWaalsContact C-N 3.33Å; P131-T134 WeakPolarHBondContact O-CB 3.27Å; P131-T134 PolarHBondContact O-N 3.27Å; P131-L135 PolarHBondContact O-N 3.13Å |
| 132 | Y | 76.6 | Confident | 73.4 | Confident | 135 Ų | 135 | 110.1 Ų | 110.1 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.9 | -27.1 | 177 | -57.2 | -80.6 | 0 | 0 | 0 | 112.7 | N130 L135 C136 M159 | N130-Y132 PolarHBondContact O-N 2.88Å; N130-Y132 VanDerWaalsContact O-N 3.16Å; N130-Y132 WeakPolarHBondContact OD1-CD2 3.3Å; N130-Y132 PolarHBondContact OD1-N 3.42Å; Y132-L135 HydrophobicContact CD1-CD1 4.14Å; Y132-C136 PolarHBondContact O-N 2.91Å; Y132-C136 PolarHBondContact O-SG 3.34Å; Y132-M159 HydrophobicContact CD1-CE 4.02Å; Y132-M159 HydrophobicContact CE1-CE 3.71Å |
| 133 | E | 80.1 | Confident | 74.8 | Confident | 87 Ų | 87 | 102.4 Ų | 102.4 | 41% | 0.407 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.6 | -34.6 | 171.4 | -80.1 | 170.8 | -126 | 0 | 0 | 111.9 | N130 P131 L135 C136 R137 | N130-E133 HydrophobicContact CB-CB 4.26Å; N130-E133 HydrophobicContact CB-CG 4.12Å; N130-E133 VanDerWaalsContact CB-OE1 3.29Å; N130-E133 WeakPolarHBondContact CB-OE1 3.42Å; N130-E133 PolarHBondContact ND2-OE1 3.02Å; N130-E133 WeakPolarHBondContact O-CB 3.41Å; N130-E133 PolarHBondContact O-N 3.16Å; P131-E133 VanDerWaalsContact C-N 3.33Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 3.43Å; E133-C136 PolarHBondContact O-N 3.24Å; E133-R137 VanDerWaalsContact O-CG 3.26Å; E133-R137 WeakPolarHBondContact O-CG 3.39Å; E133-R137 PolarHBondContact O-N 2.92Å; E133-R137 IonicContact OE2-CZ 2.62Å; E133-R137 IonicContact OE2-NH2 2.64Å; E133-R137 PolarHBondContact OE2-NH2 3.24Å |
| 134 | T | 81.1 | Confident | 76 | Confident | 83 Ų | 83 | 93.1 Ų | 93.1 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 176.6 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | P131 C136 R137 S138 | P131-T134 WeakPolarHBondContact O-CB 3.27Å; P131-T134 PolarHBondContact O-N 3.27Å; T134-C136 PolarHBondContact O-N 3.03Å; T134-R137 PolarHBondContact O-N 3.28Å; T134-R137 VanDerWaalsContact O-N 3.12Å; T134-S138 PolarHBondContact O-N 3.47Å; T134-S138 PolarHBondContact O-OG 3.12Å; T134-S138 VanDerWaalsContact O-OG 3.13Å |
| 135 | L | 83.1 | Confident | 76.8 | Confident | 20 Ų | 20 | 96.5 Ų | 96.5 | 11% | 0.105 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -54.7 | -50.2 | 174.5 | -55.9 | 172.5 | 0 | 0 | 0 | 112 | P131 Y132 E133 R137 S138 I139 L152 A155 M159 | P131-L135 PolarHBondContact O-N 3.13Å; Y132-L135 HydrophobicContact CD1-CD1 4.14Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 3.43Å; L135-R137 PolarHBondContact O-N 2.92Å; L135-S138 WeakPolarHBondContact CA-OG 3.49Å; L135-S138 PolarHBondContact O-N 3.13Å; L135-S138 PolarHBondContact O-OG 3.28Å; L135-I139 WeakPolarHBondContact O-CD1 3.5Å; L135-I139 WeakPolarHBondContact O-CG1 3.29Å; L135-L152 HydrophobicContact CB-CD1 4.16Å; L135-A155 HydrophobicContact CD2-CB 4.19Å; L135-M159 HydrophobicContact CD1-CE 3.6Å; L135-M159 HydrophobicContact CD1-SD 3.78Å; L135-M159 HydrophobicContact CD2-CB 4.22Å; L135-M159 HydrophobicContact CD2-CG 4.47Å; L135-M159 HydrophobicContact CD2-SD 3.9Å; L135-M159 HydrophobicContact CG-SD 4.07Å |
| 136 | C | 80.1 | Confident | 77.5 | Confident | 74 Ų | 74 | 92.3 Ų | 92.3 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -25.3 | -179 | -67 | 0 | 0 | 0 | 0 | 112.9 | Y132 E133 T134 | Y132-C136 PolarHBondContact O-N 2.91Å; Y132-C136 PolarHBondContact O-SG 3.34Å; E133-C136 PolarHBondContact O-N 3.24Å; T134-C136 PolarHBondContact O-N 3.03Å |
| 137 | R | 83.1 | Confident | 78.3 | Confident | 182 Ų | 182 | 90.9 Ų | 90.9 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -86.9 | -26.1 | 176.1 | -65.9 | 175.5 | -150 | 176.6 | 5.7 | 113.3 | E133 T134 L135 I139 | E133-R137 VanDerWaalsContact O-CG 3.26Å; E133-R137 WeakPolarHBondContact O-CG 3.39Å; E133-R137 PolarHBondContact O-N 2.92Å; E133-R137 IonicContact OE2-CZ 2.62Å; E133-R137 IonicContact OE2-NH2 2.64Å; E133-R137 PolarHBondContact OE2-NH2 3.24Å; T134-R137 PolarHBondContact O-N 3.28Å; T134-R137 VanDerWaalsContact O-N 3.12Å; L135-R137 PolarHBondContact O-N 2.92Å; R137-I139 PolarHBondContact O-N 2.84Å |
| 138 | S | 80.6 | Confident | 79.4 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -75.9 | -8.8 | 177.3 | 47.3 | 0 | 0 | 0 | 0 | 114.2 | T134 L135 | T134-S138 PolarHBondContact O-N 3.47Å; T134-S138 PolarHBondContact O-OG 3.12Å; T134-S138 VanDerWaalsContact O-OG 3.13Å; L135-S138 WeakPolarHBondContact CA-OG 3.49Å; L135-S138 PolarHBondContact O-N 3.13Å; L135-S138 PolarHBondContact O-OG 3.28Å |
| 139 | I | 86.1 | Confident | 80.4 | Confident | 21 Ų | 21 | 87.9 Ų | 87.9 | 11% | 0.108 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -96.5 | 122.7 | -179.5 | -60.9 | 159.3 | 0 | 0 | 0 | 109.6 | L135 R137 L143 R148 K151 L152 | L135-I139 WeakPolarHBondContact O-CD1 3.5Å; L135-I139 WeakPolarHBondContact O-CG1 3.29Å; R137-I139 PolarHBondContact O-N 2.84Å; I139-L143 HydrophobicContact CG2-CD1 4.5Å; I139-R148 HydrophobicContact CG2-CB 4.3Å; I139-R148 HydrophobicContact CG2-CG 4.03Å; I139-K151 HydrophobicContact CG1-CB 4.28Å; I139-K151 HydrophobicContact CG2-CB 4.13Å; I139-L152 VanDerWaalsContact CD1-CA 3.46Å; I139-L152 HydrophobicContact CD1-CB 3.65Å; I139-L152 HydrophobicContact CD1-CD1 3.8Å; I139-L152 HydrophobicContact CD1-CG 4.33Å |
| 140 | S | 81.2 | Confident | 81.2 | Confident | 65 Ų | 65 | 84.5 Ų | 84.5 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | trans | -55.6 | 124 | -178.8 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | S142 L143 | S140-S142 PolarHBondContact O-N 2.64Å; S140-S142 VanDerWaalsContact O-N 3.17Å; S140-L143 PolarHBondContact O-N 3.43Å | ||
| 141 | P | 79.2 | Confident | 81.8 | Confident | 107 Ų | 107 | 85.4 Ų | 85.4 | 70% | 0.695 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.6 | -178.6 | 29.3 | -35.9 | 0 | 0 | 0 | 113.5 | ||
| 142 | S | 83.1 | Confident | 82.7 | Confident | 110 Ų | 110 | 85.5 Ų | 85.5 | 77% | 0.769 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -9.5 | 177.3 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | S140 | S140-S142 PolarHBondContact O-N 2.64Å; S140-S142 VanDerWaalsContact O-N 3.17Å |
| 143 | L | 83.5 | Confident | 83.2 | Confident | 62 Ų | 62 | 82.4 Ų | 82.4 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -76.8 | 155.1 | 173.2 | -66.9 | 172.6 | 0 | 0 | 0 | 110.8 | I139 S140 E147 R148 K151 | I139-L143 HydrophobicContact CG2-CD1 4.5Å; S140-L143 PolarHBondContact O-N 3.43Å; L143-E147 HydrophobicContact CB-CB 4.17Å; L143-R148 HydrophobicContact CB-CG 3.62Å; L143-R148 WeakPolarHBondContact O-CD 3.21Å; L143-K151 HydrophobicContact CD1-CG 4.42Å |
| 144 | S | 84.3 | Confident | 83.5 | Confident | 58 Ų | 58 | 81.1 Ų | 81.1 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | trans | -65.4 | 162 | 176.1 | 73 | 0 | 0 | 0 | 0 | 112 | Q146 E147 R148 | S144-Q146 VanDerWaalsContact C-N 3.25Å; S144-Q146 PolarHBondContact O-N 3.37Å; S144-E147 WeakPolarHBondContact CA-OE2 3.44Å; S144-E147 WeakPolarHBondContact CB-OE2 3.49Å; S144-E147 PolarHBondContact N-OE2 2.91Å; S144-E147 PolarHBondContact O-N 2.77Å; S144-E147 VanDerWaalsContact OG-CD 3.29Å; S144-E147 WeakPolarHBondContact OG-CG 3.46Å; S144-E147 PolarHBondContact OG-N 3.28Å; S144-E147 PolarHBondContact OG-OE2 2.9Å; S144-R148 WeakPolarHBondContact O-CB 3.47Å; S144-R148 VanDerWaalsContact O-CG 3.23Å; S144-R148 WeakPolarHBondContact O-CG 3.46Å; S144-R148 PolarHBondContact O-N 3.24Å | ||
| 145 | Q | 81.4 | Confident | 83.8 | Confident | 175 Ų | 175 | 78.2 Ų | 78.2 | 82% | 0.818 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.4 | -33 | -177.4 | -176.1 | 172.8 | -19.6 | 0 | 0 | 113.3 | L149 | Q145-L149 PolarHBondContact O-N 2.75Å; Q145-L149 VanDerWaalsContact O-N 3.14Å |
| 146 | Q | 80.9 | Confident | 84 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 31% | 0.308 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.1 | -48.7 | 177.2 | -174.1 | 68.7 | -0.3 | 0 | 0 | 111.2 | S144 R148 L149 E150 T197 H202 | S144-Q146 VanDerWaalsContact C-N 3.25Å; S144-Q146 PolarHBondContact O-N 3.37Å; Q146-R148 PolarHBondContact O-N 3.01Å; Q146-L149 WeakPolarHBondContact O-CB 3.42Å; Q146-L149 PolarHBondContact O-N 2.91Å; Q146-E150 PolarHBondContact O-N 3.37Å; Q146-T197 PolarHBondContact NE2-O 2.91Å; Q146-H202 PolarHBondContact NE2-CD2 3.27Å; Q146-H202 VanDerWaalsContact NE2-CD2 3.3Å; Q146-H202 PolarHBondContact NE2-NE2 2.9Å |
| 147 | E | 81.7 | Confident | 84.3 | Confident | 87 Ų | 87 | 77 Ų | 77 | 41% | 0.407 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.9 | -36 | 176 | -66.5 | 163.7 | 124.2 | 0 | 0 | 111.8 | L143 S144 E150 K151 | L143-E147 HydrophobicContact CB-CB 4.17Å; S144-E147 WeakPolarHBondContact CA-OE2 3.44Å; S144-E147 WeakPolarHBondContact CB-OE2 3.49Å; S144-E147 PolarHBondContact N-OE2 2.91Å; S144-E147 PolarHBondContact O-N 2.77Å; S144-E147 VanDerWaalsContact OG-CD 3.29Å; S144-E147 WeakPolarHBondContact OG-CG 3.46Å; S144-E147 PolarHBondContact OG-N 3.28Å; S144-E147 PolarHBondContact OG-OE2 2.9Å; E147-E150 PolarHBondContact O-N 3.32Å; E147-K151 WeakPolarHBondContact O-CB 3.39Å; E147-K151 VanDerWaalsContact O-CG 3.28Å; E147-K151 WeakPolarHBondContact O-CG 3.34Å; E147-K151 PolarHBondContact O-N 2.93Å |
| 148 | R | 86.2 | Confident | 84.5 | Confident | 111 Ų | 111 | 72.3 Ų | 72.3 | 42% | 0.419 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 174.8 | -72.2 | 175.8 | 60.2 | -170.2 | -4.3 | 112.7 | I139 L143 S144 Q146 L152 | I139-R148 HydrophobicContact CG2-CB 4.3Å; I139-R148 HydrophobicContact CG2-CG 4.03Å; L143-R148 HydrophobicContact CB-CG 3.62Å; L143-R148 WeakPolarHBondContact O-CD 3.21Å; S144-R148 WeakPolarHBondContact O-CB 3.47Å; S144-R148 VanDerWaalsContact O-CG 3.23Å; S144-R148 WeakPolarHBondContact O-CG 3.46Å; S144-R148 PolarHBondContact O-N 3.24Å; Q146-R148 PolarHBondContact O-N 3.01Å; R148-L152 VanDerWaalsContact O-CB 3.24Å; R148-L152 WeakPolarHBondContact O-CB 3.26Å; R148-L152 PolarHBondContact O-N 3.18Å |
| 149 | L | 84.8 | Confident | 84.8 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72 | -44.6 | 173.7 | -179.6 | 60 | 0 | 0 | 0 | 110.9 | Q145 Q146 L152 L153 | Q145-L149 PolarHBondContact O-N 2.75Å; Q145-L149 VanDerWaalsContact O-N 3.14Å; Q146-L149 WeakPolarHBondContact O-CB 3.42Å; Q146-L149 PolarHBondContact O-N 2.91Å; L149-L152 PolarHBondContact O-N 3.33Å; L149-L153 HydrophobicContact CD1-CD1 4.28Å; L149-L153 HydrophobicContact CD1-CG 4.29Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.01Å |
| 150 | E | 84.7 | Confident | 84.9 | Confident | 45 Ų | 45 | 70.5 Ų | 70.5 | 21% | 0.21 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -53.9 | -52.9 | 171.9 | 154.7 | 161.4 | -149.4 | 0 | 0 | 111.5 | Q146 E147 L152 L153 E154 T194 | Q146-E150 PolarHBondContact O-N 3.37Å; E147-E150 PolarHBondContact O-N 3.32Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.43Å; E150-L153 PolarHBondContact O-N 3.4Å; E150-E154 WeakPolarHBondContact O-CB 3.45Å; E150-E154 PolarHBondContact O-N 3.39Å; E150-T194 HydrophobicContact CB-CG2 3.87Å; E150-T194 HydrophobicContact CG-CG2 3.56Å; E150-T194 WeakPolarHBondContact OE1-CG2 3.43Å |
| 151 | K | 86.3 | Confident | 85.2 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 37% | 0.37 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66 | -30.3 | 179.1 | -68.7 | -71.7 | 149.7 | -160.8 | 0 | 113.1 | I139 L143 E147 E154 A155 | I139-K151 HydrophobicContact CG1-CB 4.28Å; I139-K151 HydrophobicContact CG2-CB 4.13Å; L143-K151 HydrophobicContact CD1-CG 4.42Å; E147-K151 WeakPolarHBondContact O-CB 3.39Å; E147-K151 VanDerWaalsContact O-CG 3.28Å; E147-K151 WeakPolarHBondContact O-CG 3.34Å; E147-K151 PolarHBondContact O-N 2.93Å; K151-E154 WeakPolarHBondContact CD-OE2 3.29Å; K151-E154 WeakPolarHBondContact CE-OE2 3.43Å; K151-E154 IonicContact NZ-OE1 3.59Å; K151-E154 IonicContact NZ-OE2 3.79Å; K151-E154 PolarHBondContact NZ-OE2 2.7Å; K151-A155 VanDerWaalsContact O-CB 3.26Å; K151-A155 WeakPolarHBondContact O-CB 3.29Å; K151-A155 PolarHBondContact O-N 3.06Å |
| 152 | L | 88.1 | Confident | 85.6 | Confident | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.288 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 173.7 | -177.2 | 61 | 0 | 0 | 0 | 111.9 | L135 I139 R148 L149 E150 S156 | L135-L152 HydrophobicContact CB-CD1 4.16Å; I139-L152 VanDerWaalsContact CD1-CA 3.46Å; I139-L152 HydrophobicContact CD1-CB 3.65Å; I139-L152 HydrophobicContact CD1-CD1 3.8Å; I139-L152 HydrophobicContact CD1-CG 4.33Å; R148-L152 VanDerWaalsContact O-CB 3.24Å; R148-L152 WeakPolarHBondContact O-CB 3.26Å; R148-L152 PolarHBondContact O-N 3.18Å; L149-L152 PolarHBondContact O-N 3.33Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.43Å; L152-S156 WeakPolarHBondContact O-CB 3.12Å; L152-S156 PolarHBondContact O-N 3.3Å; L152-S156 PolarHBondContact O-OG 3.24Å |
| 153 | L | 86.9 | Confident | 85.7 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 37% | 0.366 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 176.7 | -68.3 | 167.5 | 0 | 0 | 0 | 110.8 | L149 E150 S156 M157 W190 | L149-L153 HydrophobicContact CD1-CD1 4.28Å; L149-L153 HydrophobicContact CD1-CG 4.29Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.01Å; E150-L153 PolarHBondContact O-N 3.4Å; L153-S156 PolarHBondContact O-N 3.45Å; L153-S156 PolarHBondContact O-OG 3.03Å; L153-M157 WeakPolarHBondContact O-CB 3.21Å; L153-M157 PolarHBondContact O-N 3.37Å; L153-W190 HydrophobicContact CB-CZ2 3.8Å; L153-W190 HydrophobicContact CD1-CZ2 4.36Å |
| 154 | E | 86.4 | Confident | 85.7 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55.5 | -54.5 | 175.7 | -174.4 | -178.5 | -140 | 0 | 0 | 111.8 | E150 K151 S156 M157 E158 | E150-E154 WeakPolarHBondContact O-CB 3.45Å; E150-E154 PolarHBondContact O-N 3.39Å; K151-E154 WeakPolarHBondContact CD-OE2 3.29Å; K151-E154 WeakPolarHBondContact CE-OE2 3.43Å; K151-E154 IonicContact NZ-OE1 3.59Å; K151-E154 IonicContact NZ-OE2 3.79Å; K151-E154 PolarHBondContact NZ-OE2 2.7Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.42Å; E154-M157 WeakPolarHBondContact O-CB 3.39Å; E154-M157 PolarHBondContact O-N 2.88Å; E154-M157 VanDerWaalsContact O-N 3.13Å; E154-E158 PolarHBondContact O-N 2.89Å |
| 155 | A | 87.8 | Confident | 85.7 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -33.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L135 K151 M159 | L135-A155 HydrophobicContact CD2-CB 4.19Å; K151-A155 VanDerWaalsContact O-CB 3.26Å; K151-A155 WeakPolarHBondContact O-CB 3.29Å; K151-A155 PolarHBondContact O-N 3.06Å; A155-M159 VanDerWaalsContact O-CB 3.29Å; A155-M159 WeakPolarHBondContact O-CB 3.38Å; A155-M159 PolarHBondContact O-N 3Å; A155-M159 VanDerWaalsContact O-N 3.09Å |
| 156 | S | 87.8 | Confident | 85.8 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 175.2 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | L152 L153 E154 A160 | L152-S156 WeakPolarHBondContact O-CB 3.12Å; L152-S156 PolarHBondContact O-N 3.3Å; L152-S156 PolarHBondContact O-OG 3.24Å; L153-S156 PolarHBondContact O-N 3.45Å; L153-S156 PolarHBondContact O-OG 3.03Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.42Å; S156-A160 WeakPolarHBondContact O-CB 3.26Å; S156-A160 PolarHBondContact O-N 3.46Å; S156-A160 VanDerWaalsContact O-N 3.14Å |
| 157 | M | 87.1 | Confident | 85.8 | Confident | 27 Ų | 27 | 65 Ų | 65 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.5 | -49.4 | 175.2 | -177.2 | -174.3 | 65.7 | 0 | 0 | 110.6 | L153 E154 M159 A160 L161 I186 W190 | L153-M157 WeakPolarHBondContact O-CB 3.21Å; L153-M157 PolarHBondContact O-N 3.37Å; E154-M157 WeakPolarHBondContact O-CB 3.39Å; E154-M157 PolarHBondContact O-N 2.88Å; E154-M157 VanDerWaalsContact O-N 3.13Å; M157-M159 VanDerWaalsContact C-N 3.32Å; M157-M159 PolarHBondContact O-N 2.81Å; M157-A160 WeakPolarHBondContact O-CA 3.42Å; M157-A160 WeakPolarHBondContact O-CB 3.42Å; M157-A160 PolarHBondContact O-N 3.29Å; M157-L161 HydrophobicContact CE-CD1 4.39Å; M157-L161 HydrophobicContact CG-CD1 3.81Å; M157-L161 HydrophobicContact CG-CG 4.3Å; M157-L161 VanDerWaalsContact O-CG 3.27Å; M157-L161 WeakPolarHBondContact O-CG 3.35Å; M157-L161 PolarHBondContact O-N 2.89Å; M157-L161 HydrophobicContact SD-CD1 4.41Å; M157-I186 HydrophobicContact SD-CG2 4.38Å; M157-W190 HydrophobicContact CE-CB 3.88Å; M157-W190 HydrophobicContact CE-CD2 4.32Å; M157-W190 HydrophobicContact CE-CG 3.61Å; M157-W190 HydrophobicContact SD-CB 3.83Å; M157-W190 HydrophobicContact SD-CD2 3.75Å; M157-W190 HydrophobicContact SD-CE3 4.15Å; M157-W190 HydrophobicContact SD-CG 3.55Å; M157-W190 VanDerWaalsContact SD-CG 3.55Å |
| 158 | E | 87.4 | Confident | 85.7 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 178.2 | -70.2 | -166.6 | 137.8 | 0 | 0 | 111.9 | E154 A160 L161 E162 K187 | E154-E158 PolarHBondContact O-N 2.89Å; E158-A160 VanDerWaalsContact C-N 3.3Å; E158-A160 PolarHBondContact O-N 3.49Å; E158-L161 PolarHBondContact O-N 3.32Å; E158-E162 WeakPolarHBondContact O-CB 3.28Å; E158-E162 PolarHBondContact O-N 3.17Å; E158-K187 VanDerWaalsContact OE1-CE 3.29Å; E158-K187 WeakPolarHBondContact OE1-CE 3.44Å; E158-K187 IonicContact OE1-NZ 2.61Å; E158-K187 PolarHBondContact OE1-NZ 3.26Å |
| 159 | M | 86.8 | Confident | 85.2 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -28.9 | 174.9 | -179.5 | -154.4 | 53.2 | 0 | 0 | 113 | Y132 L135 A155 M157 R163 | Y132-M159 HydrophobicContact CD1-CE 4.02Å; Y132-M159 HydrophobicContact CE1-CE 3.71Å; L135-M159 HydrophobicContact CD1-CE 3.6Å; L135-M159 HydrophobicContact CD1-SD 3.78Å; L135-M159 HydrophobicContact CD2-CB 4.22Å; L135-M159 HydrophobicContact CD2-CG 4.47Å; L135-M159 HydrophobicContact CD2-SD 3.9Å; L135-M159 HydrophobicContact CG-SD 4.07Å; A155-M159 VanDerWaalsContact O-CB 3.29Å; A155-M159 WeakPolarHBondContact O-CB 3.38Å; A155-M159 PolarHBondContact O-N 3Å; A155-M159 VanDerWaalsContact O-N 3.09Å; M157-M159 VanDerWaalsContact C-N 3.32Å; M157-M159 PolarHBondContact O-N 2.81Å; M159-R163 WeakPolarHBondContact O-CG 3.43Å; M159-R163 PolarHBondContact O-N 2.82Å; M159-R163 VanDerWaalsContact O-N 3.12Å; M159-R163 VanDerWaalsContact SD-CZ 3.6Å; M159-R163 PolarHBondContact SD-NH1 3.26Å; M159-R163 PolarHBondContact SD-NH2 2.98Å |
| 160 | A | 86.9 | Confident | 84.7 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75 | -38.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S156 M157 E158 R163 T164 | S156-A160 WeakPolarHBondContact O-CB 3.26Å; S156-A160 PolarHBondContact O-N 3.46Å; S156-A160 VanDerWaalsContact O-N 3.14Å; M157-A160 WeakPolarHBondContact O-CA 3.42Å; M157-A160 WeakPolarHBondContact O-CB 3.42Å; M157-A160 PolarHBondContact O-N 3.29Å; E158-A160 VanDerWaalsContact C-N 3.3Å; E158-A160 PolarHBondContact O-N 3.49Å; A160-R163 PolarHBondContact O-N 3.3Å; A160-T164 WeakPolarHBondContact O-CG2 3.29Å; A160-T164 PolarHBondContact O-N 2.76Å; A160-T164 PolarHBondContact O-OG1 3.3Å |
| 161 | L | 88.1 | Confident | 84.1 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 173.5 | -64.9 | 165.6 | 0 | 0 | 0 | 110.8 | M157 E158 T164 Q165 V183 | M157-L161 HydrophobicContact CE-CD1 4.39Å; M157-L161 HydrophobicContact CG-CD1 3.81Å; M157-L161 HydrophobicContact CG-CG 4.3Å; M157-L161 VanDerWaalsContact O-CG 3.27Å; M157-L161 WeakPolarHBondContact O-CG 3.35Å; M157-L161 PolarHBondContact O-N 2.89Å; M157-L161 HydrophobicContact SD-CD1 4.41Å; E158-L161 PolarHBondContact O-N 3.32Å; L161-T164 WeakPolarHBondContact CA-OG1 3.19Å; L161-T164 PolarHBondContact O-N 3.16Å; L161-T164 PolarHBondContact O-OG1 3.4Å; L161-Q165 WeakPolarHBondContact O-CB 3.3Å; L161-Q165 PolarHBondContact O-N 3.36Å; L161-V183 HydrophobicContact CB-CG1 4.5Å; L161-V183 HydrophobicContact CD1-CG1 4.07Å; L161-V183 HydrophobicContact CD2-CG1 4.13Å; L161-V183 HydrophobicContact CD2-CG2 4.01Å; L161-V183 HydrophobicContact CG-CG1 4.46Å |
| 162 | E | 86.6 | Confident | 82.8 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 173.7 | -170.6 | -164.8 | 178.4 | 0 | 0 | 111.7 | E158 T164 Q165 N166 | E158-E162 WeakPolarHBondContact O-CB 3.28Å; E158-E162 PolarHBondContact O-N 3.17Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 PolarHBondContact O-N 3.14Å; E162-Q165 PolarHBondContact O-N 3.3Å; E162-N166 WeakPolarHBondContact O-CB 3.45Å; E162-N166 PolarHBondContact O-N 3.19Å; E162-N166 PolarHBondContact O-ND2 2.59Å |
| 163 | R | 85.7 | Confident | 81.5 | Confident | 103 Ų | 103 | 75.8 Ų | 75.8 | 39% | 0.389 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 176.9 | -77.9 | -165.8 | -169.8 | 94.9 | 15 | 113.2 | M159 A160 S167 | M159-R163 WeakPolarHBondContact O-CG 3.43Å; M159-R163 PolarHBondContact O-N 2.82Å; M159-R163 VanDerWaalsContact O-N 3.12Å; M159-R163 VanDerWaalsContact SD-CZ 3.6Å; M159-R163 PolarHBondContact SD-NH1 3.26Å; M159-R163 PolarHBondContact SD-NH2 2.98Å; A160-R163 PolarHBondContact O-N 3.3Å; R163-S167 WeakPolarHBondContact O-CB 3.34Å; R163-S167 PolarHBondContact O-N 3.07Å; R163-S167 VanDerWaalsContact O-N 3.09Å |
| 164 | T | 83.3 | Confident | 80.4 | Confident | 67 Ų | 67 | 74.4 Ų | 74.4 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.3 | -37 | 177.4 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | A160 L161 E162 S167 L168 | A160-T164 WeakPolarHBondContact O-CG2 3.29Å; A160-T164 PolarHBondContact O-N 2.76Å; A160-T164 PolarHBondContact O-OG1 3.3Å; L161-T164 WeakPolarHBondContact CA-OG1 3.19Å; L161-T164 PolarHBondContact O-N 3.16Å; L161-T164 PolarHBondContact O-OG1 3.4Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 PolarHBondContact O-N 3.14Å; T164-S167 PolarHBondContact O-N 3.03Å; T164-L168 VanDerWaalsContact O-CG 3.28Å; T164-L168 WeakPolarHBondContact O-CG 3.48Å; T164-L168 PolarHBondContact O-N 3.45Å |
| 165 | Q | 84.9 | Confident | 79.8 | Confident | 55 Ų | 55 | 75.1 Ų | 75.1 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.3 | -52.2 | 170.6 | -168.8 | 178.6 | -37.6 | 0 | 0 | 111.6 | L161 E162 S167 L168 E169 L176 F179 | L161-Q165 WeakPolarHBondContact O-CB 3.3Å; L161-Q165 PolarHBondContact O-N 3.36Å; E162-Q165 PolarHBondContact O-N 3.3Å; Q165-S167 PolarHBondContact O-N 3.31Å; Q165-L168 PolarHBondContact O-N 3.24Å; Q165-E169 HydrophobicContact CG-CG 4.35Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.24Å; Q165-E169 PolarHBondContact NE2-OE1 3.31Å; Q165-E169 WeakPolarHBondContact O-CG 3.26Å; Q165-E169 PolarHBondContact O-N 2.97Å; Q165-L176 HydrophobicContact CG-CD1 4.12Å; Q165-F179 HydrophobicContact CB-CE1 3.78Å; Q165-F179 HydrophobicContact CB-CZ 4.43Å; Q165-F179 HydrophobicContact CG-CE1 4.12Å |
| 166 | N | 82.9 | Confident | 79.4 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.8 | -31.8 | -179.5 | -66.4 | -14.1 | 0 | 0 | 0 | 112.1 | E162 | E162-N166 WeakPolarHBondContact O-CB 3.45Å; E162-N166 PolarHBondContact O-N 3.19Å; E162-N166 PolarHBondContact O-ND2 2.59Å |
| 167 | S | 81.8 | Confident | 79 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 53% | 0.531 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70 | -43.1 | 172 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | R163 T164 Q165 S170 | R163-S167 WeakPolarHBondContact O-CB 3.34Å; R163-S167 PolarHBondContact O-N 3.07Å; R163-S167 VanDerWaalsContact O-N 3.09Å; T164-S167 PolarHBondContact O-N 3.03Å; Q165-S167 PolarHBondContact O-N 3.31Å; S167-S170 WeakPolarHBondContact O-CB 3.39Å; S167-S170 PolarHBondContact O-N 2.92Å; S167-S170 PolarHBondContact O-OG 3.47Å |
| 168 | L | 79.6 | Confident | 78.6 | Confident | 52 Ų | 52 | 85 Ų | 85 | 27% | 0.272 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69 | -35.8 | 178.6 | -71.9 | 167.4 | 0 | 0 | 0 | 113.1 | T164 Q165 S170 L171 A174 F179 | T164-L168 VanDerWaalsContact O-CG 3.28Å; T164-L168 WeakPolarHBondContact O-CG 3.48Å; T164-L168 PolarHBondContact O-N 3.45Å; Q165-L168 PolarHBondContact O-N 3.24Å; L168-S170 PolarHBondContact O-N 2.9Å; L168-L171 WeakPolarHBondContact O-CB 3.41Å; L168-L171 PolarHBondContact O-N 2.84Å; L168-A174 HydrophobicContact CB-CB 4.44Å; L168-A174 HydrophobicContact CD2-CB 4.02Å; L168-F179 HydrophobicContact CD1-CB 4.29Å; L168-F179 HydrophobicContact CD1-CD1 4.02Å; L168-F179 HydrophobicContact CD1-CD2 3.4Å; L168-F179 VanDerWaalsContact CD1-CD2 3.4Å; L168-F179 HydrophobicContact CD1-CE1 4.18Å; L168-F179 HydrophobicContact CD1-CE2 3.58Å; L168-F179 HydrophobicContact CD1-CG 3.63Å; L168-F179 HydrophobicContact CD1-CZ 3.97Å |
| 169 | E | 76 | Confident | 78.5 | Confident | 106 Ų | 106 | 82.6 Ų | 82.6 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.9 | -21 | 175.3 | -71.6 | -178.4 | -173.1 | 0 | 0 | 112.5 | Q165 L171 L176 | Q165-E169 HydrophobicContact CG-CG 4.35Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.24Å; Q165-E169 PolarHBondContact NE2-OE1 3.31Å; Q165-E169 WeakPolarHBondContact O-CG 3.26Å; Q165-E169 PolarHBondContact O-N 2.97Å; E169-L171 VanDerWaalsContact C-N 3.27Å; E169-L171 PolarHBondContact O-N 2.75Å; E169-L176 HydrophobicContact CG-CD1 4.07Å; E169-L176 HydrophobicContact CG-CD2 4.21Å |
| 170 | S | 73.8 | Confident | 78.4 | Confident | 91 Ų | 91 | 86.2 Ų | 86.2 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.3 | 170.9 | 81.8 | 0 | 0 | 0 | 0 | 114.5 | S167 L168 | S167-S170 WeakPolarHBondContact O-CB 3.39Å; S167-S170 PolarHBondContact O-N 2.92Å; S167-S170 PolarHBondContact O-OG 3.47Å; L168-S170 PolarHBondContact O-N 2.9Å |
| 171 | L | 72.4 | Confident | 78.4 | Confident | 107 Ų | 107 | 92 Ų | 92 | 56% | 0.56 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -114.9 | 105.9 | -168.2 | -157.3 | 74.6 | 0 | 0 | 0 | 112.3 | L168 E169 K173 A174 | L168-L171 WeakPolarHBondContact O-CB 3.41Å; L168-L171 PolarHBondContact O-N 2.84Å; E169-L171 VanDerWaalsContact C-N 3.27Å; E169-L171 PolarHBondContact O-N 2.75Å; L171-K173 PolarHBondContact O-N 3.12Å; L171-A174 PolarHBondContact O-N 2.82Å |
| 172 | P | 57.6 | Low | 78.3 | Confident | 129 Ų | 129 | 96.4 Ų | 96.4 | 84% | 0.838 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 14.7 | -166.6 | -25.8 | 35.5 | 0 | 0 | 0 | 119.1 | ||
| 173 | K | 61.9 | Low | 78.4 | Confident | 207 Ų | 207 | 92.1 Ų | 92.1 | 90% | 0.9 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.4 | 7.8 | -177.5 | -63.7 | -172.4 | 179.3 | -178.7 | 0 | 114.2 | L171 | L171-K173 PolarHBondContact O-N 3.12Š|
| 174 | A | 63.3 | Low | 78.5 | Confident | 41 Ų | 41 | 92.8 Ų | 92.8 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | trans | -85.3 | 132.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L168 L171 L176 | L168-A174 HydrophobicContact CB-CB 4.44Å; L168-A174 HydrophobicContact CD2-CB 4.02Å; L171-A174 PolarHBondContact O-N 2.82Å; A174-L176 PolarHBondContact O-N 2.65Å | ||
| 175 | S | 74.9 | Confident | 78.8 | Confident | 75 Ų | 75 | 93.8 Ų | 93.8 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | trans | -78.6 | 82.2 | 173.8 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | E177 T178 F179 | S175-E177 PolarHBondContact O-N 2.86Å; S175-T178 WeakPolarHBondContact CB-OG1 3.23Å; S175-T178 PolarHBondContact O-N 3.22Å; S175-T178 PolarHBondContact O-OG1 2.97Å; S175-T178 PolarHBondContact OG-OG1 2.93Å; S175-F179 PolarHBondContact O-N 2.93Å | ||
| 176 | L | 78.4 | Confident | 78.9 | Confident | 57 Ų | 57 | 95 Ų | 95 | 30% | 0.298 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -52 | -32.4 | -177.6 | -175.6 | 62.4 | 0 | 0 | 0 | 113.6 | Q165 E169 A174 F179 K180 | Q165-L176 HydrophobicContact CG-CD1 4.12Å; E169-L176 HydrophobicContact CG-CD1 4.07Å; E169-L176 HydrophobicContact CG-CD2 4.21Å; A174-L176 PolarHBondContact O-N 2.65Å; L176-F179 HydrophobicContact CD1-CD1 4.42Å; L176-F179 PolarHBondContact O-N 2.92Å; L176-K180 HydrophobicContact CG-CD 4.31Å; L176-K180 WeakPolarHBondContact O-CG 3.34Å; L176-K180 PolarHBondContact O-N 3.03Å |
| 177 | E | 79.5 | Confident | 79 | Confident | 167 Ų | 167 | 94.5 Ų | 94.5 | 78% | 0.78 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -41.8 | 177 | -171.9 | 175.8 | -166.8 | 0 | 0 | 113.1 | S175 F179 K180 K181 | S175-E177 PolarHBondContact O-N 2.86Å; E177-F179 VanDerWaalsContact C-N 3.35Å; E177-K180 PolarHBondContact O-N 2.77Å; E177-K181 PolarHBondContact O-N 3.38Å; E177-K181 VanDerWaalsContact O-N 3.08Å |
| 178 | T | 79.6 | Confident | 79.3 | Confident | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -34.6 | 176.9 | 62 | 0 | 0 | 0 | 0 | 111.3 | S175 K181 Q182 | S175-T178 WeakPolarHBondContact CB-OG1 3.23Å; S175-T178 PolarHBondContact O-N 3.22Å; S175-T178 PolarHBondContact O-OG1 2.97Å; S175-T178 PolarHBondContact OG-OG1 2.93Å; T178-K181 PolarHBondContact O-N 2.87Å; T178-Q182 WeakPolarHBondContact O-CG 3.12Å; T178-Q182 PolarHBondContact O-N 2.87Å; T178-Q182 VanDerWaalsContact O-N 3.08Å |
| 179 | F | 84.9 | Confident | 79.6 | Confident | 31 Ų | 31 | 99.9 Ų | 99.9 | 14% | 0.136 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -62 | -51.5 | 172 | 176.1 | -102 | 0 | 0 | 0 | 110.8 | Q165 L168 S175 L176 E177 K181 Q182 V183 | Q165-F179 HydrophobicContact CB-CE1 3.78Å; Q165-F179 HydrophobicContact CB-CZ 4.43Å; Q165-F179 HydrophobicContact CG-CE1 4.12Å; L168-F179 HydrophobicContact CD1-CB 4.29Å; L168-F179 HydrophobicContact CD1-CD1 4.02Å; L168-F179 HydrophobicContact CD1-CD2 3.4Å; L168-F179 VanDerWaalsContact CD1-CD2 3.4Å; L168-F179 HydrophobicContact CD1-CE1 4.18Å; L168-F179 HydrophobicContact CD1-CE2 3.58Å; L168-F179 HydrophobicContact CD1-CG 3.63Å; L168-F179 HydrophobicContact CD1-CZ 3.97Å; S175-F179 PolarHBondContact O-N 2.93Å; L176-F179 HydrophobicContact CD1-CD1 4.42Å; L176-F179 PolarHBondContact O-N 2.92Å; E177-F179 VanDerWaalsContact C-N 3.35Å; F179-K181 VanDerWaalsContact C-N 3.28Å; F179-K181 PolarHBondContact O-N 2.79Å; F179-Q182 CarbonylContact O-C 3.59Å; F179-Q182 WeakPolarHBondContact O-CA 3.49Å; F179-Q182 WeakPolarHBondContact O-CB 3.09Å; F179-Q182 PolarHBondContact O-N 2.83Å; F179-V183 HydrophobicContact CD1-CG2 3.91Å; F179-V183 HydrophobicContact CD2-CG2 4.25Å; F179-V183 HydrophobicContact CE1-CG2 3.49Å; F179-V183 VanDerWaalsContact CE1-CG2 3.49Å; F179-V183 HydrophobicContact CE2-CG2 3.87Å; F179-V183 HydrophobicContact CG-CG2 4.28Å; F179-V183 HydrophobicContact CZ-CG2 3.48Å; F179-V183 VanDerWaalsContact CZ-CG2 3.48Å; F179-V183 WeakPolarHBondContact O-CG2 3.46Å; F179-V183 PolarHBondContact O-N 2.9Å |
| 180 | K | 84.5 | Confident | 79.9 | Confident | 98 Ų | 98 | 98.8 Ų | 98.8 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.6 | -40.7 | 177.4 | -75.4 | 176.3 | 178.4 | 179 | 0 | 112.5 | L176 E177 Q182 V183 E184 | L176-K180 HydrophobicContact CG-CD 4.31Å; L176-K180 WeakPolarHBondContact O-CG 3.34Å; L176-K180 PolarHBondContact O-N 3.03Å; E177-K180 PolarHBondContact O-N 2.77Å; K180-Q182 PolarHBondContact O-N 3.2Å; K180-V183 PolarHBondContact O-N 3.49Å; K180-E184 PolarHBondContact O-N 3.22Å |
| 181 | K | 87 | Confident | 80.2 | Confident | 168 Ų | 168 | 96.1 Ų | 96.1 | 73% | 0.73 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -36.7 | 174.1 | -170.6 | 175 | -178.1 | 177.9 | 0 | 113.5 | E177 T178 F179 N185 | E177-K181 PolarHBondContact O-N 3.38Å; E177-K181 VanDerWaalsContact O-N 3.08Å; T178-K181 PolarHBondContact O-N 2.87Å; F179-K181 VanDerWaalsContact C-N 3.28Å; F179-K181 PolarHBondContact O-N 2.79Å; K181-N185 PolarHBondContact O-N 3.37Å |
| 182 | Q | 85.4 | Confident | 80.6 | Confident | 122 Ų | 122 | 94.3 Ų | 94.3 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.6 | -39.7 | 174 | -73 | 173.1 | -23.6 | 0 | 0 | 112 | T178 F179 K180 N185 I186 | T178-Q182 WeakPolarHBondContact O-CG 3.12Å; T178-Q182 PolarHBondContact O-N 2.87Å; T178-Q182 VanDerWaalsContact O-N 3.08Å; F179-Q182 CarbonylContact O-C 3.59Å; F179-Q182 WeakPolarHBondContact O-CA 3.49Å; F179-Q182 WeakPolarHBondContact O-CB 3.09Å; F179-Q182 PolarHBondContact O-N 2.83Å; K180-Q182 PolarHBondContact O-N 3.2Å; Q182-N185 PolarHBondContact O-N 3.39Å; Q182-I186 VanDerWaalsContact O-CG1 3.29Å; Q182-I186 WeakPolarHBondContact O-CG1 3.37Å; Q182-I186 PolarHBondContact O-N 3.47Å |
| 183 | V | 88.1 | Confident | 81.6 | Confident | 22 Ų | 22 | 93 Ų | 93 | 13% | 0.133 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L161 F179 K180 N185 I186 K187 | L161-V183 HydrophobicContact CB-CG1 4.5Å; L161-V183 HydrophobicContact CD1-CG1 4.07Å; L161-V183 HydrophobicContact CD2-CG1 4.13Å; L161-V183 HydrophobicContact CD2-CG2 4.01Å; L161-V183 HydrophobicContact CG-CG1 4.46Å; F179-V183 HydrophobicContact CD1-CG2 3.91Å; F179-V183 HydrophobicContact CD2-CG2 4.25Å; F179-V183 HydrophobicContact CE1-CG2 3.49Å; F179-V183 VanDerWaalsContact CE1-CG2 3.49Å; F179-V183 HydrophobicContact CE2-CG2 3.87Å; F179-V183 HydrophobicContact CG-CG2 4.28Å; F179-V183 HydrophobicContact CZ-CG2 3.48Å; F179-V183 VanDerWaalsContact CZ-CG2 3.48Å; F179-V183 WeakPolarHBondContact O-CG2 3.46Å; F179-V183 PolarHBondContact O-N 2.9Å; K180-V183 PolarHBondContact O-N 3.49Å; V183-N185 VanDerWaalsContact C-N 3.34Å; V183-N185 PolarHBondContact O-N 2.88Å; V183-I186 PolarHBondContact O-N 2.86Å; V183-K187 WeakPolarHBondContact O-CB 3.2Å; V183-K187 PolarHBondContact O-N 2.98Å |
| 184 | E | 88.3 | Confident | 82.4 | Confident | 116 Ų | 116 | 83.6 Ų | 83.6 | 54% | 0.542 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 176.2 | -71.4 | -58.3 | 149.3 | 0 | 0 | 112.2 | K180 K187 M188 | K180-E184 PolarHBondContact O-N 3.22Å; E184-K187 PolarHBondContact O-N 3.35Å; E184-M188 WeakPolarHBondContact O-CB 3.35Å; E184-M188 VanDerWaalsContact O-CG 3.3Å; E184-M188 WeakPolarHBondContact O-CG 3.35Å; E184-M188 PolarHBondContact O-N 2.97Å |
| 185 | N | 88.9 | Confident | 83 | Confident | 89 Ų | 89 | 87.4 Ų | 87.4 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.4 | -170.2 | 90.9 | 0 | 0 | 0 | 112 | K181 Q182 V183 K187 M188 E189 | K181-N185 PolarHBondContact O-N 3.37Å; Q182-N185 PolarHBondContact O-N 3.39Å; V183-N185 VanDerWaalsContact C-N 3.34Å; V183-N185 PolarHBondContact O-N 2.88Å; N185-K187 VanDerWaalsContact C-N 3.33Å; N185-K187 PolarHBondContact O-N 2.89Å; N185-M188 PolarHBondContact O-N 3.23Å; N185-E189 VanDerWaalsContact ND2-CD 3.34Å; N185-E189 PolarHBondContact ND2-OE1 3.2Å; N185-E189 WeakPolarHBondContact O-CG 3.48Å; N185-E189 PolarHBondContact O-N 3.38Å |
| 186 | I | 87.3 | Confident | 82.8 | Confident | 80 Ų | 80 | 88.3 Ų | 88.3 | 41% | 0.41 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.3 | -68.7 | 164.5 | 0 | 0 | 0 | 110.7 | M157 Q182 V183 E189 W190 | M157-I186 HydrophobicContact SD-CG2 4.38Å; Q182-I186 VanDerWaalsContact O-CG1 3.29Å; Q182-I186 WeakPolarHBondContact O-CG1 3.37Å; Q182-I186 PolarHBondContact O-N 3.47Å; V183-I186 PolarHBondContact O-N 2.86Å; I186-E189 PolarHBondContact O-N 2.95Å; I186-W190 WeakPolarHBondContact O-CB 3.35Å; I186-W190 PolarHBondContact O-N 2.91Å |
| 187 | K | 86.4 | Confident | 82.2 | Confident | 76 Ų | 76 | 88.3 Ų | 88.3 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 177.3 | -167.8 | 172.7 | -168.3 | 169.9 | 0 | 111.9 | E158 V183 E184 N185 S191 | E158-K187 VanDerWaalsContact OE1-CE 3.29Å; E158-K187 WeakPolarHBondContact OE1-CE 3.44Å; E158-K187 IonicContact OE1-NZ 2.61Å; E158-K187 PolarHBondContact OE1-NZ 3.26Å; V183-K187 WeakPolarHBondContact O-CB 3.2Å; V183-K187 PolarHBondContact O-N 2.98Å; E184-K187 PolarHBondContact O-N 3.35Å; N185-K187 VanDerWaalsContact C-N 3.33Å; N185-K187 PolarHBondContact O-N 2.89Å; K187-S191 WeakPolarHBondContact O-CB 3.37Å; K187-S191 PolarHBondContact O-N 3.47Å |
| 188 | M | 86.4 | Confident | 81.5 | Confident | 127 Ų | 127 | 83.6 Ų | 83.6 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.3 | -49.1 | 175 | -76.8 | -63.4 | -64.1 | 0 | 0 | 112.1 | E184 N185 S191 C192 | E184-M188 WeakPolarHBondContact O-CB 3.35Å; E184-M188 VanDerWaalsContact O-CG 3.3Å; E184-M188 WeakPolarHBondContact O-CG 3.35Å; E184-M188 PolarHBondContact O-N 2.97Å; N185-M188 PolarHBondContact O-N 3.23Å; M188-S191 PolarHBondContact O-N 3.41Å; M188-S191 PolarHBondContact O-OG 2.86Å; M188-C192 PolarHBondContact O-N 2.89Å; M188-C192 VanDerWaalsContact O-N 3.16Å |
| 189 | E | 86.3 | Confident | 80.7 | Confident | 113 Ų | 113 | 86.3 Ų | 86.3 | 53% | 0.528 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 175.5 | -74.6 | 176.6 | -166.2 | 0 | 0 | 111.6 | N185 I186 S191 C192 L193 | N185-E189 VanDerWaalsContact ND2-CD 3.34Å; N185-E189 PolarHBondContact ND2-OE1 3.2Å; N185-E189 WeakPolarHBondContact O-CG 3.48Å; N185-E189 PolarHBondContact O-N 3.38Å; I186-E189 PolarHBondContact O-N 2.95Å; E189-S191 VanDerWaalsContact C-N 3.34Å; E189-S191 PolarHBondContact O-N 3.49Å; E189-C192 WeakPolarHBondContact O-CB 3.48Å; E189-C192 PolarHBondContact O-N 2.97Å; E189-C192 VanDerWaalsContact O-N 3.09Å; E189-L193 WeakPolarHBondContact O-CG 3.45Å; E189-L193 PolarHBondContact O-N 3.43Å |
| 190 | W | 83.4 | Confident | 79.6 | Confident | 83 Ų | 83 | 91.3 Ų | 91.3 | 31% | 0.314 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 175.7 | -173 | -89.5 | 0 | 0 | 0 | 112.4 | L153 M157 I186 C192 L193 T194 | L153-W190 HydrophobicContact CB-CZ2 3.8Å; L153-W190 HydrophobicContact CD1-CZ2 4.36Å; M157-W190 HydrophobicContact CE-CB 3.88Å; M157-W190 HydrophobicContact CE-CD2 4.32Å; M157-W190 HydrophobicContact CE-CG 3.61Å; M157-W190 HydrophobicContact SD-CB 3.83Å; M157-W190 HydrophobicContact SD-CD2 3.75Å; M157-W190 HydrophobicContact SD-CE3 4.15Å; M157-W190 HydrophobicContact SD-CG 3.55Å; M157-W190 VanDerWaalsContact SD-CG 3.55Å; I186-W190 WeakPolarHBondContact O-CB 3.35Å; I186-W190 PolarHBondContact O-N 2.91Å; W190-C192 PolarHBondContact O-N 3.39Å; W190-L193 PolarHBondContact O-N 2.9Å; W190-T194 PolarHBondContact NE1-OG1 2.89Å; W190-T194 WeakPolarHBondContact O-CB 3.42Å; W190-T194 PolarHBondContact O-N 2.86Å; W190-T194 PolarHBondContact O-OG1 3.28Å |
| 191 | S | 80 | Confident | 78.2 | Confident | 36 Ų | 36 | 91.9 Ų | 91.9 | 25% | 0.252 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -24.2 | 177.4 | 86.3 | 0 | 0 | 0 | 0 | 113.2 | K187 M188 E189 K195 | K187-S191 WeakPolarHBondContact O-CB 3.37Å; K187-S191 PolarHBondContact O-N 3.47Å; M188-S191 PolarHBondContact O-N 3.41Å; M188-S191 PolarHBondContact O-OG 2.86Å; E189-S191 VanDerWaalsContact C-N 3.34Å; E189-S191 PolarHBondContact O-N 3.49Å; S191-K195 WeakPolarHBondContact O-CD 3.32Å; S191-K195 VanDerWaalsContact O-CE 3.29Å; S191-K195 WeakPolarHBondContact O-CE 3.47Å; S191-K195 WeakPolarHBondContact O-CG 3.37Å |
| 192 | C | 80.4 | Confident | 76.7 | Confident | 68 Ų | 68 | 89 Ų | 89 | 46% | 0.459 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -81.1 | -49.2 | 173.9 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | M188 E189 W190 T194 K195 N196 | M188-C192 PolarHBondContact O-N 2.89Å; M188-C192 VanDerWaalsContact O-N 3.16Å; E189-C192 WeakPolarHBondContact O-CB 3.48Å; E189-C192 PolarHBondContact O-N 2.97Å; E189-C192 VanDerWaalsContact O-N 3.09Å; W190-C192 PolarHBondContact O-N 3.39Å; C192-T194 VanDerWaalsContact C-N 3.33Å; C192-T194 PolarHBondContact O-N 3.35Å; C192-K195 PolarHBondContact O-N 2.85Å; C192-N196 VanDerWaalsContact O-CG 3.24Å; C192-N196 PolarHBondContact O-N 3.3Å; C192-N196 PolarHBondContact O-ND2 2.97Å |
| 193 | L | 79.3 | Confident | 74.9 | Confident | 101 Ų | 101 | 92 Ų | 92 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -55.7 | -46.4 | 177.4 | -72.3 | 168.7 | 0 | 0 | 0 | 112 | E189 W190 N196 T197 | E189-L193 WeakPolarHBondContact O-CG 3.45Å; E189-L193 PolarHBondContact O-N 3.43Å; W190-L193 PolarHBondContact O-N 2.9Å; L193-N196 WeakPolarHBondContact O-CB 3.46Å; L193-N196 PolarHBondContact O-N 3.2Å; L193-T197 PolarHBondContact O-N 3.29Å; L193-T197 PolarHBondContact O-OG1 3.38Å |
| 194 | T | 76.9 | Confident | 73.1 | Confident | 11 Ų | 11 | 98.8 Ų | 98.8 | 7% | 0.067 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | -175.5 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | E150 W190 C192 N196 T197 S198 | E150-T194 HydrophobicContact CB-CG2 3.87Å; E150-T194 HydrophobicContact CG-CG2 3.56Å; E150-T194 WeakPolarHBondContact OE1-CG2 3.43Å; W190-T194 PolarHBondContact NE1-OG1 2.89Å; W190-T194 WeakPolarHBondContact O-CB 3.42Å; W190-T194 PolarHBondContact O-N 2.86Å; W190-T194 PolarHBondContact O-OG1 3.28Å; C192-T194 VanDerWaalsContact C-N 3.33Å; C192-T194 PolarHBondContact O-N 3.35Å; T194-N196 VanDerWaalsContact C-N 3.31Å; T194-N196 PolarHBondContact O-N 3.46Å; T194-T197 WeakPolarHBondContact CA-OG1 3.29Å; T194-T197 CarbonylContact O-C 3.58Å; T194-T197 PolarHBondContact O-N 3.25Å; T194-T197 VanDerWaalsContact O-N 3.16Å; T194-T197 PolarHBondContact O-OG1 3.2Å; T194-S198 PolarHBondContact O-N 3.23Å |
| 195 | K | 77.3 | Confident | 70.8 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 52% | 0.522 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 173 | -69.8 | 170.1 | -164.5 | 153.2 | 0 | 112 | S191 C192 S198 N199 | S191-K195 WeakPolarHBondContact O-CD 3.32Å; S191-K195 VanDerWaalsContact O-CE 3.29Å; S191-K195 WeakPolarHBondContact O-CE 3.47Å; S191-K195 WeakPolarHBondContact O-CG 3.37Å; C192-K195 PolarHBondContact O-N 2.85Å; K195-S198 PolarHBondContact O-N 3.44Å; K195-N199 PolarHBondContact O-N 2.94Å; K195-N199 PolarHBondContact O-ND2 3.49Å |
| 196 | N | 71.2 | Confident | 68.5 | Low | 94 Ų | 94 | 99.6 Ų | 99.6 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 174.6 | -66.1 | -15.5 | 0 | 0 | 0 | 111.3 | C192 L193 T194 S198 N199 E200 | C192-N196 VanDerWaalsContact O-CG 3.24Å; C192-N196 PolarHBondContact O-N 3.3Å; C192-N196 PolarHBondContact O-ND2 2.97Å; L193-N196 WeakPolarHBondContact O-CB 3.46Å; L193-N196 PolarHBondContact O-N 3.2Å; T194-N196 VanDerWaalsContact C-N 3.31Å; T194-N196 PolarHBondContact O-N 3.46Å; N196-S198 PolarHBondContact O-N 2.89Å; N196-N199 PolarHBondContact O-N 3.4Å; N196-N199 VanDerWaalsContact O-N 3.07Å; N196-E200 PolarHBondContact O-N 3.11Å |
| 197 | T | 66 | Low | 66.4 | Low | 58 Ų | 58 | 100.9 Ų | 100.9 | 36% | 0.356 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.4 | -14.5 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 114.9 | Q146 L193 T194 | Q146-T197 PolarHBondContact NE2-O 2.91Å; L193-T197 PolarHBondContact O-N 3.29Å; L193-T197 PolarHBondContact O-OG1 3.38Å; T194-T197 WeakPolarHBondContact CA-OG1 3.29Å; T194-T197 CarbonylContact O-C 3.58Å; T194-T197 PolarHBondContact O-N 3.25Å; T194-T197 VanDerWaalsContact O-N 3.16Å; T194-T197 PolarHBondContact O-OG1 3.2Å |
| 198 | S | 64.2 | Low | 64.1 | Low | 67 Ų | 67 | 104.5 Ų | 104.5 | 47% | 0.469 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -80.9 | -19.2 | 169.3 | -174.1 | 0 | 0 | 0 | 0 | 113.2 | T194 K195 N196 | T194-S198 PolarHBondContact O-N 3.23Å; K195-S198 PolarHBondContact O-N 3.44Å; N196-S198 PolarHBondContact O-N 2.89Å |
| 199 | N | 63.2 | Low | 62.2 | Low | 133 Ų | 133 | 103.1 Ų | 103.1 | 71% | 0.711 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -97.4 | -23.7 | -179.5 | -71.6 | -67.5 | 0 | 0 | 0 | 112.9 | K195 N196 P201 | K195-N199 PolarHBondContact O-N 2.94Å; K195-N199 PolarHBondContact O-ND2 3.49Å; N196-N199 PolarHBondContact O-N 3.4Å; N196-N199 VanDerWaalsContact O-N 3.07Å; N199-P201 WeakPolarHBondContact O-CD 3.22Å |
| 200 | E | 62 | Low | 60.3 | Low | 136 Ų | 136 | 104.2 Ų | 104.2 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -81.4 | 111.9 | 169.2 | -99.4 | -70.5 | 148.1 | 0 | 0 | 110.2 | N196 H202 | N196-E200 PolarHBondContact O-N 3.11Å; E200-H202 PolarHBondContact O-N 3.39Å |
| 201 | P | 53.8 | Low | 58.6 | Low | 109 Ų | 109 | 105.8 Ų | 105.8 | 71% | 0.708 | 60% | 0.597 | S | S | * | * | trans | -70.7 | 98.2 | 177.6 | 29.2 | -33.2 | 0 | 0 | 0 | 109.4 | N199 K203 | N199-P201 WeakPolarHBondContact O-CD 3.22Å; P201-K203 PolarHBondContact O-N 2.61Å | ||
| 202 | H | 56.6 | Low | 57.5 | Low | 108 Ų | 108 | 107.7 Ų | 107.7 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | trans | -48 | 97.2 | -178.2 | -76 | -48.2 | 0 | 0 | 0 | 112.5 | Q146 E200 L204 | Q146-H202 PolarHBondContact NE2-CD2 3.27Å; Q146-H202 VanDerWaalsContact NE2-CD2 3.3Å; Q146-H202 PolarHBondContact NE2-NE2 2.9Å; E200-H202 PolarHBondContact O-N 3.39Å; H202-L204 VanDerWaalsContact C-N 3.27Å; H202-L204 PolarHBondContact O-N 2.89Å | ||
| 203 | K | 47.1 | Very low | 57.2 | Low | 184 Ų | 184 | 110.5 Ų | 110.5 | 80% | 0.8 | 62% | 0.617 | S | S | * | * | trans | -68.4 | 90.7 | 169.1 | -172.7 | 175.1 | -175.7 | 175.9 | 0 | 107.5 | P201 S205 | P201-K203 PolarHBondContact O-N 2.61Å; K203-S205 PolarHBondContact O-N 3.29Å | ||
| 204 | L | 49.5 | Very low | 57.4 | Low | 165 Ų | 165 | 110 Ų | 110 | 86% | 0.864 | 62% | 0.619 | S | S | * | * | trans | -49.9 | 104 | 166.8 | -82.1 | 164.2 | 0 | 0 | 0 | 107.7 | H202 S206 | H202-L204 VanDerWaalsContact C-N 3.27Å; H202-L204 PolarHBondContact O-N 2.89Å; L204-S206 VanDerWaalsContact C-N 3.28Å; L204-S206 PolarHBondContact O-N 3.43Å | ||
| 205 | S | 41.2 | Very low | 57.8 | Low | 112 Ų | 112 | 112.2 Ų | 112.2 | 78% | 0.783 | 64% | 0.639 | S | S | * | * | trans | -68.6 | 89.2 | -173.4 | -78.7 | 0 | 0 | 0 | 0 | 110.3 | K203 S207 | K203-S205 PolarHBondContact O-N 3.29Å; S205-S207 PolarHBondContact O-N 3.44Å | ||
| 206 | S | 39.7 | Very low | 58.3 | Low | 111 Ų | 111 | 111 Ų | 111 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | trans | -4 | 95.9 | 155.3 | 171.2 | 0 | 0 | 0 | 0 | 113 | L204 Q208 | L204-S206 VanDerWaalsContact C-N 3.28Å; L204-S206 PolarHBondContact O-N 3.43Å; S206-Q208 PolarHBondContact O-N 2.94Å | ||
| 207 | S | 44.4 | Very low | 59.2 | Low | 107 Ų | 107 | 110.7 Ų | 110.7 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | trans | -5.9 | 88.8 | 167.7 | 173.2 | 0 | 0 | 0 | 0 | 114.2 | S205 P209 | S205-S207 PolarHBondContact O-N 3.44Å; S207-P209 WeakPolarHBondContact O-CD 3.42Å | ||
| 208 | Q | 37.3 | Very low | 60.4 | Low | 152 Ų | 152 | 115.2 Ų | 115.2 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | trans | -69.6 | 109.3 | 174.6 | -179.3 | 175.3 | -19.7 | 0 | 0 | 108.1 | S206 N210 | S206-Q208 PolarHBondContact O-N 2.94Å; Q208-N210 PolarHBondContact O-N 3.49Å | ||
| 209 | P | 45.9 | Very low | 61.8 | Low | 97 Ų | 97 | 114.5 Ų | 114.5 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -2.4 | -166.5 | 29.2 | -34.7 | 0 | 0 | 0 | 113.9 | S207 | S207-P209 WeakPolarHBondContact O-CD 3.42Š|
| 210 | N | 47.8 | Very low | 63.3 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 26.7 | -165.9 | -62.7 | -8.4 | 0 | 0 | 0 | 113.3 | Q208 | Q208-N210 PolarHBondContact O-N 3.49Š|
| 211 | C | 46.3 | Very low | 64.9 | Low | 116 Ų | 116 | 111.7 Ų | 111.7 | 78% | 0.784 | 63% | 0.63 | S | S | * | * | trans | -99.8 | 17.8 | 170.3 | -149.1 | 0 | 0 | 0 | 0 | 113.3 | Q213 | C211-Q213 VanDerWaalsContact C-N 3.33Å; C211-Q213 PolarHBondContact O-N 3.48Å | ||
| 212 | S | 58.3 | Low | 66.9 | Low | 77 Ų | 77 | 111.1 Ų | 111.1 | 54% | 0.538 | 62% | 0.621 | S | S | . | * | trans | -64.8 | 90.2 | 168.4 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 213 | Q | 73.5 | Confident | 68.9 | Low | 127 Ų | 127 | 110.1 Ų | 110.1 | 59% | 0.593 | 62% | 0.622 | S | S | * | * | trans | -39.7 | 125.1 | 172.1 | -97.1 | -77.4 | -9.5 | 0 | 0 | 110.8 | C211 A215 V216 Q217 | C211-Q213 VanDerWaalsContact C-N 3.33Å; C211-Q213 PolarHBondContact O-N 3.48Å; Q213-A215 PolarHBondContact O-N 3Å; Q213-V216 HydrophobicContact CB-CB 4.32Å; Q213-V216 HydrophobicContact CB-CG2 3.82Å; Q213-V216 WeakPolarHBondContact O-CA 3.43Å; Q213-V216 WeakPolarHBondContact O-CB 3.38Å; Q213-V216 PolarHBondContact O-N 2.95Å; Q213-Q217 PolarHBondContact O-N 2.7Å | ||
| 214 | P | 82.7 | Confident | 71.3 | Confident | 89 Ų | 89 | 105.9 Ų | 105.9 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.4 | -12.7 | -176.6 | -27.9 | 35.9 | 0 | 0 | 0 | 115.1 | R218 | P214-R218 WeakPolarHBondContact O-CG 3.49Å; P214-R218 PolarHBondContact O-NE 2.98Å |
| 215 | A | 85.1 | Confident | 73.6 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.7 | -42.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q213 A219 | Q213-A215 PolarHBondContact O-N 3Å; A215-A219 WeakPolarHBondContact O-CB 3.42Å; A215-A219 PolarHBondContact O-N 2.99Å |
| 216 | V | 88.2 | Confident | 76.3 | Confident | 95 Ų | 95 | 100.7 Ų | 100.7 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.3 | -44.1 | -179.3 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | Q213 R218 A219 M220 | Q213-V216 HydrophobicContact CB-CB 4.32Å; Q213-V216 HydrophobicContact CB-CG2 3.82Å; Q213-V216 WeakPolarHBondContact O-CA 3.43Å; Q213-V216 WeakPolarHBondContact O-CB 3.38Å; Q213-V216 PolarHBondContact O-N 2.95Å; V216-R218 PolarHBondContact O-N 3.39Å; V216-A219 WeakPolarHBondContact O-CB 3.45Å; V216-A219 PolarHBondContact O-N 2.94Å; V216-M220 PolarHBondContact O-N 3.04Å |
| 217 | Q | 89.9 | Confident | 79.1 | Confident | 87 Ų | 87 | 99.4 Ų | 99.4 | 41% | 0.407 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.6 | -49.3 | 176.2 | 179 | 58 | 32 | 0 | 0 | 111.6 | Q213 A219 M220 E221 | Q213-Q217 PolarHBondContact O-N 2.7Å; Q217-A219 VanDerWaalsContact C-N 3.33Å; Q217-A219 PolarHBondContact O-N 3.19Å; Q217-M220 PolarHBondContact O-N 3.06Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.43Å; Q217-E221 PolarHBondContact NE2-OE1 3.32Å; Q217-E221 WeakPolarHBondContact O-CG 3.37Å; Q217-E221 PolarHBondContact O-N 3.41Å |
| 218 | R | 92.1 | Very high | 81.6 | Confident | 154 Ų | 154 | 98.8 Ų | 98.8 | 58% | 0.581 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.2 | -34.4 | 176 | -74 | -177.9 | -67.9 | 161 | -0.3 | 113 | P214 V216 N222 | P214-R218 WeakPolarHBondContact O-CG 3.49Å; P214-R218 PolarHBondContact O-NE 2.98Å; V216-R218 PolarHBondContact O-N 3.39Å; R218-N222 WeakPolarHBondContact O-CB 3.36Å; R218-N222 PolarHBondContact O-N 3.16Å; R218-N222 PolarHBondContact O-ND2 3.03Å |
| 219 | A | 93.9 | Very high | 84.6 | Confident | 52 Ų | 52 | 99.6 Ų | 99.6 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | A215 V216 Q217 N222 V223 | A215-A219 WeakPolarHBondContact O-CB 3.42Å; A215-A219 PolarHBondContact O-N 2.99Å; V216-A219 WeakPolarHBondContact O-CB 3.45Å; V216-A219 PolarHBondContact O-N 2.94Å; Q217-A219 VanDerWaalsContact C-N 3.33Å; Q217-A219 PolarHBondContact O-N 3.19Å; A219-N222 PolarHBondContact O-N 3.39Å; A219-V223 WeakPolarHBondContact O-CG2 3.38Å; A219-V223 PolarHBondContact O-N 3.46Å |
| 220 | M | 94.4 | Very high | 87.1 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 66% | 0.655 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 176.8 | -169.2 | 173.6 | -176.1 | 0 | 0 | 111.9 | V216 Q217 N222 V223 Q224 | V216-M220 PolarHBondContact O-N 3.04Å; Q217-M220 PolarHBondContact O-N 3.06Å; M220-N222 PolarHBondContact O-N 3.43Å; M220-V223 PolarHBondContact O-N 2.91Å; M220-Q224 PolarHBondContact O-N 3.3Å |
| 221 | E | 95.8 | Very high | 89.5 | Confident | 76 Ų | 76 | 99.6 Ų | 99.6 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 173.8 | -73.2 | 170.4 | -151.9 | 0 | 0 | 113 | Q217 Q224 K225 | Q217-E221 WeakPolarHBondContact CG-OE1 3.43Å; Q217-E221 PolarHBondContact NE2-OE1 3.32Å; Q217-E221 WeakPolarHBondContact O-CG 3.37Å; Q217-E221 PolarHBondContact O-N 3.41Å; E221-Q224 PolarHBondContact O-N 3.04Å; E221-K225 WeakPolarHBondContact O-CB 3.4Å; E221-K225 WeakPolarHBondContact O-CD 3.5Å; E221-K225 WeakPolarHBondContact O-CG 3.49Å; E221-K225 PolarHBondContact O-N 2.87Å; E221-K225 IonicContact OE2-NZ 2.7Å |
| 222 | N | 96.1 | Very high | 91.9 | Very high | 97 Ų | 97 | 96.7 Ų | 96.7 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 177.7 | -72.9 | -13.3 | 0 | 0 | 0 | 111.9 | R218 A219 M220 K225 A226 | R218-N222 WeakPolarHBondContact O-CB 3.36Å; R218-N222 PolarHBondContact O-N 3.16Å; R218-N222 PolarHBondContact O-ND2 3.03Å; A219-N222 PolarHBondContact O-N 3.39Å; M220-N222 PolarHBondContact O-N 3.43Å; N222-K225 PolarHBondContact O-N 2.84Å; N222-A226 WeakPolarHBondContact O-CB 3.32Å; N222-A226 PolarHBondContact O-N 3.31Å |
| 223 | V | 97.6 | Very high | 93.9 | Very high | 88 Ų | 88 | 96.6 Ų | 96.6 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 170.7 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | A219 M220 K225 A226 I227 | A219-V223 WeakPolarHBondContact O-CG2 3.38Å; A219-V223 PolarHBondContact O-N 3.46Å; M220-V223 PolarHBondContact O-N 2.91Å; V223-K225 PolarHBondContact O-N 2.99Å; V223-A226 PolarHBondContact O-N 3.05Å; V223-I227 HydrophobicContact CG1-CD1 3.73Å; V223-I227 HydrophobicContact CG1-CG1 4.38Å; V223-I227 WeakPolarHBondContact O-CG1 3.35Å; V223-I227 PolarHBondContact O-N 2.87Å |
| 224 | Q | 97.7 | Very high | 95 | Very high | 95 Ų | 95 | 94.1 Ų | 94.1 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 177.2 | -167.7 | 62.6 | 57 | 0 | 0 | 112.3 | M220 E221 A226 I227 N228 | M220-Q224 PolarHBondContact O-N 3.3Å; E221-Q224 PolarHBondContact O-N 3.04Å; Q224-A226 VanDerWaalsContact C-N 3.34Å; Q224-A226 PolarHBondContact O-N 2.96Å; Q224-I227 PolarHBondContact O-N 2.88Å; Q224-N228 PolarHBondContact NE2-OD1 3.39Å; Q224-N228 WeakPolarHBondContact O-CB 3.37Å; Q224-N228 PolarHBondContact O-N 2.73Å; Q224-N228 PolarHBondContact O-OD1 3.06Å |
| 225 | K | 97.7 | Very high | 95.8 | Very high | 120 Ų | 120 | 94.4 Ų | 94.4 | 52% | 0.522 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 173 | -71 | 161.2 | -165.1 | 162 | 0 | 111.5 | E221 N222 V223 R229 | E221-K225 WeakPolarHBondContact O-CB 3.4Å; E221-K225 WeakPolarHBondContact O-CD 3.5Å; E221-K225 WeakPolarHBondContact O-CG 3.49Å; E221-K225 PolarHBondContact O-N 2.87Å; E221-K225 IonicContact OE2-NZ 2.7Å; N222-K225 PolarHBondContact O-N 2.84Å; V223-K225 PolarHBondContact O-N 2.99Å; K225-R229 WeakPolarHBondContact O-CB 3.37Å; K225-R229 PolarHBondContact O-N 3.2Å |
| 226 | A | 97.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 95.4 Ų | 95.4 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N222 V223 Q224 R229 L230 | N222-A226 WeakPolarHBondContact O-CB 3.32Å; N222-A226 PolarHBondContact O-N 3.31Å; V223-A226 PolarHBondContact O-N 3.05Å; Q224-A226 VanDerWaalsContact C-N 3.34Å; Q224-A226 PolarHBondContact O-N 2.96Å; A226-R229 PolarHBondContact O-N 3.42Å; A226-L230 WeakPolarHBondContact O-CB 3.31Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.49Å; A226-L230 PolarHBondContact O-N 2.87Å |
| 227 | I | 98.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 98.6 Ų | 98.6 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 174.7 | -70.4 | 166.3 | 0 | 0 | 0 | 110.6 | V223 Q224 R229 L230 K231 | V223-I227 HydrophobicContact CG1-CD1 3.73Å; V223-I227 HydrophobicContact CG1-CG1 4.38Å; V223-I227 WeakPolarHBondContact O-CG1 3.35Å; V223-I227 PolarHBondContact O-N 2.87Å; Q224-I227 PolarHBondContact O-N 2.88Å; I227-R229 VanDerWaalsContact C-N 3.35Å; I227-R229 PolarHBondContact O-N 3.17Å; I227-L230 PolarHBondContact O-N 2.97Å; I227-K231 WeakPolarHBondContact O-CB 3.42Å; I227-K231 PolarHBondContact O-N 2.9Å |
| 228 | N | 98.2 | Very high | 97.3 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 179.6 | -68.8 | 3.4 | 0 | 0 | 0 | 111.6 | Q224 K231 A232 | Q224-N228 PolarHBondContact NE2-OD1 3.39Å; Q224-N228 WeakPolarHBondContact O-CB 3.37Å; Q224-N228 PolarHBondContact O-N 2.73Å; Q224-N228 PolarHBondContact O-OD1 3.06Å; N228-K231 PolarHBondContact O-N 3.38Å; N228-A232 PolarHBondContact O-N 2.91Å; N228-A232 VanDerWaalsContact O-N 3.11Å |
| 229 | R | 98.5 | Very high | 97.6 | Very high | 170 Ų | 170 | 95.2 Ų | 95.2 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -51.9 | 173 | 176.1 | -171.8 | 152.2 | 175.4 | -5.3 | 111.4 | K225 A226 I227 K231 A232 E233 | K225-R229 WeakPolarHBondContact O-CB 3.37Å; K225-R229 PolarHBondContact O-N 3.2Å; A226-R229 PolarHBondContact O-N 3.42Å; I227-R229 VanDerWaalsContact C-N 3.35Å; I227-R229 PolarHBondContact O-N 3.17Å; R229-K231 VanDerWaalsContact C-N 3.26Å; R229-K231 PolarHBondContact O-N 3.23Å; R229-A232 PolarHBondContact O-N 2.92Å; R229-E233 IonicContact CZ-OE2 3.82Å; R229-E233 IonicContact NE-OE2 3.84Å; R229-E233 PolarHBondContact NE-OE2 3.02Å; R229-E233 IonicContact NH2-OE2 2.65Å; R229-E233 PolarHBondContact NH2-OE2 2.62Å; R229-E233 WeakPolarHBondContact O-CB 3.33Å; R229-E233 PolarHBondContact O-N 3.41Å |
| 230 | L | 98.4 | Very high | 97.9 | Very high | 107 Ų | 107 | 96.3 Ų | 96.3 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -32.7 | -178 | -72.4 | 169.9 | 0 | 0 | 0 | 112.1 | A226 I227 S234 | A226-L230 WeakPolarHBondContact O-CB 3.31Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.49Å; A226-L230 PolarHBondContact O-N 2.87Å; I227-L230 PolarHBondContact O-N 2.97Å; L230-S234 WeakPolarHBondContact O-CB 3.26Å; L230-S234 PolarHBondContact O-N 3Å |
| 231 | K | 98.4 | Very high | 98.1 | Very high | 126 Ų | 126 | 94.2 Ų | 94.2 | 55% | 0.548 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -50.1 | 172.9 | -171.6 | 175.3 | -175.2 | -75.4 | 0 | 111.6 | I227 N228 R229 E233 S234 E235 | I227-K231 WeakPolarHBondContact O-CB 3.42Å; I227-K231 PolarHBondContact O-N 2.9Å; N228-K231 PolarHBondContact O-N 3.38Å; R229-K231 VanDerWaalsContact C-N 3.26Å; R229-K231 PolarHBondContact O-N 3.23Å; K231-E233 VanDerWaalsContact C-N 3.29Å; K231-E233 PolarHBondContact O-N 3.45Å; K231-S234 WeakPolarHBondContact O-CB 3.36Å; K231-S234 PolarHBondContact O-N 3.42Å; K231-E235 IonicContact NZ-OE1 3.82Å; K231-E235 PolarHBondContact NZ-OE1 3.06Å; K231-E235 WeakPolarHBondContact O-CG 3.48Å; K231-E235 PolarHBondContact O-N 2.87Å |
| 232 | A | 98.3 | Very high | 98.2 | Very high | 54 Ų | 54 | 93 Ų | 93 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N228 R229 S236 | N228-A232 PolarHBondContact O-N 2.91Å; N228-A232 VanDerWaalsContact O-N 3.11Å; R229-A232 PolarHBondContact O-N 2.92Å; A232-S236 WeakPolarHBondContact O-CB 3.35Å; A232-S236 PolarHBondContact O-N 2.76Å |
| 233 | E | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 94 Ų | 94 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 173.6 | -162.9 | 172.8 | 146.2 | 0 | 0 | 110.7 | R229 K231 S236 W237 | R229-E233 IonicContact CZ-OE2 3.82Å; R229-E233 IonicContact NE-OE2 3.84Å; R229-E233 PolarHBondContact NE-OE2 3.02Å; R229-E233 IonicContact NH2-OE2 2.65Å; R229-E233 PolarHBondContact NH2-OE2 2.62Å; R229-E233 WeakPolarHBondContact O-CB 3.33Å; R229-E233 PolarHBondContact O-N 3.41Å; K231-E233 VanDerWaalsContact C-N 3.29Å; K231-E233 PolarHBondContact O-N 3.45Å; E233-S236 WeakPolarHBondContact O-CB 3.5Å; E233-S236 PolarHBondContact O-N 3.35Å; E233-W237 PolarHBondContact O-N 3.2Å |
| 234 | S | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 95.4 Ų | 95.4 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.6 | -169.9 | 0 | 0 | 0 | 0 | 112.9 | L230 K231 S236 W237 E238 | L230-S234 WeakPolarHBondContact O-CB 3.26Å; L230-S234 PolarHBondContact O-N 3Å; K231-S234 WeakPolarHBondContact O-CB 3.36Å; K231-S234 PolarHBondContact O-N 3.42Å; S234-S236 VanDerWaalsContact C-N 3.29Å; S234-S236 PolarHBondContact O-N 3.14Å; S234-W237 PolarHBondContact O-N 3.17Å; S234-E238 PolarHBondContact O-N 3.31Å |
| 235 | E | 98.5 | Very high | 98.4 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 175.9 | -72.4 | 165.6 | 177.3 | 0 | 0 | 111.4 | K231 E238 A239 | K231-E235 IonicContact NZ-OE1 3.82Å; K231-E235 PolarHBondContact NZ-OE1 3.06Å; K231-E235 WeakPolarHBondContact O-CG 3.48Å; K231-E235 PolarHBondContact O-N 2.87Å; E235-E238 PolarHBondContact O-N 3.14Å; E235-A239 WeakPolarHBondContact O-CB 3.4Å; E235-A239 PolarHBondContact O-N 3.42Å |
| 236 | S | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 95.8 Ų | 95.8 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.3 | -43.1 | 174.5 | -166.8 | 0 | 0 | 0 | 0 | 112.5 | A232 E233 S234 A239 L240 | A232-S236 WeakPolarHBondContact O-CB 3.35Å; A232-S236 PolarHBondContact O-N 2.76Å; E233-S236 WeakPolarHBondContact O-CB 3.5Å; E233-S236 PolarHBondContact O-N 3.35Å; S234-S236 VanDerWaalsContact C-N 3.29Å; S234-S236 PolarHBondContact O-N 3.14Å; S236-A239 PolarHBondContact O-N 2.94Å; S236-L240 WeakPolarHBondContact O-CB 3.22Å; S236-L240 PolarHBondContact O-N 2.92Å |
| 237 | W | 98.6 | Very high | 98.4 | Very high | 163 Ų | 163 | 98.7 Ų | 98.7 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -38.3 | 175.1 | -75.5 | 116.3 | 0 | 0 | 0 | 112.7 | E233 S234 L240 M241 | E233-W237 PolarHBondContact O-N 3.2Å; S234-W237 PolarHBondContact O-N 3.17Å; W237-L240 HydrophobicContact CE3-CD2 3.96Å; W237-L240 HydrophobicContact CZ3-CD2 3.83Å; W237-L240 PolarHBondContact O-N 3.37Å; W237-M241 WeakPolarHBondContact O-CB 3.46Å; W237-M241 PolarHBondContact O-N 3.39Å |
| 238 | E | 98.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 97.4 Ų | 97.4 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 176.1 | -177.4 | 163.6 | -151.6 | 0 | 0 | 112 | S234 E235 L240 M241 N242 | S234-E238 PolarHBondContact O-N 3.31Å; E235-E238 PolarHBondContact O-N 3.14Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 3.28Å; E238-M241 HydrophobicContact CG-CE 4.21Å; E238-M241 PolarHBondContact O-N 3.32Å; E238-N242 WeakPolarHBondContact O-CB 3.49Å; E238-N242 VanDerWaalsContact O-CG 3.31Å; E238-N242 PolarHBondContact O-N 3.16Å; E238-N242 PolarHBondContact O-ND2 3.02Å |
| 239 | A | 98.4 | Very high | 98.3 | Very high | 62 Ų | 62 | 97.5 Ų | 97.5 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E235 S236 K243 | E235-A239 WeakPolarHBondContact O-CB 3.4Å; E235-A239 PolarHBondContact O-N 3.42Å; S236-A239 PolarHBondContact O-N 2.94Å; A239-K243 VanDerWaalsContact O-CB 3.31Å; A239-K243 WeakPolarHBondContact O-CB 3.35Å; A239-K243 PolarHBondContact O-N 3.36Å |
| 240 | L | 98.5 | Very high | 98.2 | Very high | 74 Ų | 74 | 94.1 Ų | 94.1 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 175.1 | -178.8 | 62.2 | 0 | 0 | 0 | 111.7 | S236 W237 E238 N242 K243 H244 | S236-L240 WeakPolarHBondContact O-CB 3.22Å; S236-L240 PolarHBondContact O-N 2.92Å; W237-L240 HydrophobicContact CE3-CD2 3.96Å; W237-L240 HydrophobicContact CZ3-CD2 3.83Å; W237-L240 PolarHBondContact O-N 3.37Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 3.28Å; L240-N242 VanDerWaalsContact C-N 3.34Å; L240-N242 PolarHBondContact O-N 3.41Å; L240-K243 PolarHBondContact O-N 3.33Å; L240-H244 PolarHBondContact O-CD2 2.98Å; L240-H244 VanDerWaalsContact O-CD2 3.32Å; L240-H244 PolarHBondContact O-N 3.11Å |
| 241 | M | 98.5 | Very high | 98.1 | Very high | 89 Ų | 89 | 94.1 Ų | 94.1 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 176.4 | 172.4 | -178 | 52.4 | 0 | 0 | 111.2 | W237 E238 H244 K245 | W237-M241 WeakPolarHBondContact O-CB 3.46Å; W237-M241 PolarHBondContact O-N 3.39Å; E238-M241 HydrophobicContact CG-CE 4.21Å; E238-M241 PolarHBondContact O-N 3.32Å; M241-H244 PolarHBondContact O-N 2.95Å; M241-H244 VanDerWaalsContact O-N 3.16Å; M241-K245 HydrophobicContact CG-CD 4.42Å; M241-K245 WeakPolarHBondContact O-CG 3.28Å; M241-K245 PolarHBondContact O-N 3.38Å; M241-K245 PolarHBondContact SD-NZ 3.09Å; M241-K245 VanDerWaalsContact SD-NZ 3.39Å |
| 242 | N | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 94.6 Ų | 94.6 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | -177.6 | -66.6 | -20.2 | 0 | 0 | 0 | 111.4 | E238 L240 H244 K245 E246 | E238-N242 WeakPolarHBondContact O-CB 3.49Å; E238-N242 VanDerWaalsContact O-CG 3.31Å; E238-N242 PolarHBondContact O-N 3.16Å; E238-N242 PolarHBondContact O-ND2 3.02Å; L240-N242 VanDerWaalsContact C-N 3.34Å; L240-N242 PolarHBondContact O-N 3.41Å; N242-H244 PolarHBondContact O-N 3.14Å; N242-K245 WeakPolarHBondContact O-CB 3.06Å; N242-K245 PolarHBondContact O-N 3.5Å; N242-K245 PolarHBondContact OD1-NZ 3.24Å; N242-E246 WeakPolarHBondContact O-CG 3.13Å; N242-E246 PolarHBondContact O-N 3.29Å |
| 243 | K | 98.5 | Very high | 97.7 | Very high | 117 Ų | 117 | 97.7 Ų | 97.7 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.8 | -30.9 | 170.2 | -178.3 | 178.1 | -176.8 | 175.9 | 0 | 113.7 | A239 L240 K247 | A239-K243 VanDerWaalsContact O-CB 3.31Å; A239-K243 WeakPolarHBondContact O-CB 3.35Å; A239-K243 PolarHBondContact O-N 3.36Å; L240-K243 PolarHBondContact O-N 3.33Å; K243-K247 WeakPolarHBondContact O-CG 2.81Å; K243-K247 PolarHBondContact O-N 3.16Å |
| 244 | H | 98.4 | Very high | 97.3 | Very high | 119 Ų | 119 | 99.5 Ų | 99.5 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -79 | -35.7 | 173.8 | -87.2 | -89.3 | 0 | 0 | 0 | 113 | L240 M241 N242 A248 | L240-H244 PolarHBondContact O-CD2 2.98Å; L240-H244 VanDerWaalsContact O-CD2 3.32Å; L240-H244 PolarHBondContact O-N 3.11Å; M241-H244 PolarHBondContact O-N 2.95Å; M241-H244 VanDerWaalsContact O-N 3.16Å; N242-H244 PolarHBondContact O-N 3.14Å; H244-A248 PolarHBondContact O-N 3.03Å |
| 245 | K | 98.3 | Very high | 96.9 | Very high | 98 Ų | 98 | 100.9 Ų | 100.9 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 171.9 | -66.8 | 170.6 | -172 | 156.1 | 0 | 111.6 | M241 N242 K247 A248 E249 | M241-K245 HydrophobicContact CG-CD 4.42Å; M241-K245 WeakPolarHBondContact O-CG 3.28Å; M241-K245 PolarHBondContact O-N 3.38Å; M241-K245 PolarHBondContact SD-NZ 3.09Å; M241-K245 VanDerWaalsContact SD-NZ 3.39Å; N242-K245 WeakPolarHBondContact O-CB 3.06Å; N242-K245 PolarHBondContact O-N 3.5Å; N242-K245 PolarHBondContact OD1-NZ 3.24Å; K245-K247 VanDerWaalsContact C-N 3.28Å; K245-K247 PolarHBondContact O-N 3.3Å; K245-A248 WeakPolarHBondContact O-CA 3.22Å; K245-A248 WeakPolarHBondContact O-CB 3.47Å; K245-A248 PolarHBondContact O-N 3.34Å; K245-E249 PolarHBondContact O-N 3.05Å |
| 246 | E | 98.1 | Very high | 96.6 | Very high | 125 Ų | 125 | 102.2 Ų | 102.2 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -53.3 | -45.9 | 177.7 | -72.4 | 163.7 | -170.7 | 0 | 0 | 111.5 | N242 E249 E250 | N242-E246 WeakPolarHBondContact O-CG 3.13Å; N242-E246 PolarHBondContact O-N 3.29Å; E246-E249 PolarHBondContact O-N 2.87Å; E246-E250 WeakPolarHBondContact O-CB 3.27Å; E246-E250 PolarHBondContact O-N 3.07Å |
| 247 | K | 97.9 | Very high | 96.2 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 174.7 | -78.2 | -178.9 | 171.3 | -163.6 | 0 | 113.5 | K243 K245 E250 L251 | K243-K247 WeakPolarHBondContact O-CG 2.81Å; K243-K247 PolarHBondContact O-N 3.16Å; K245-K247 VanDerWaalsContact C-N 3.28Å; K245-K247 PolarHBondContact O-N 3.3Å; K247-E250 PolarHBondContact O-N 2.97Å; K247-L251 WeakPolarHBondContact O-CB 3.34Å; K247-L251 WeakPolarHBondContact O-CD1 3.18Å; K247-L251 VanDerWaalsContact O-CG 3.26Å; K247-L251 WeakPolarHBondContact O-CG 3.45Å; K247-L251 PolarHBondContact O-N 3.15Å |
| 248 | A | 97.7 | Very high | 95.6 | Very high | 58 Ų | 58 | 96.8 Ų | 96.8 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | H244 K245 L251 E252 | H244-A248 PolarHBondContact O-N 3.03Å; K245-A248 WeakPolarHBondContact O-CA 3.22Å; K245-A248 WeakPolarHBondContact O-CB 3.47Å; K245-A248 PolarHBondContact O-N 3.34Å; A248-L251 PolarHBondContact O-N 3.31Å; A248-E252 WeakPolarHBondContact O-CB 3.3Å; A248-E252 PolarHBondContact O-N 2.86Å |
| 249 | E | 97.7 | Very high | 95.1 | Very high | 96 Ų | 96 | 99.6 Ų | 99.6 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 173.9 | -68.4 | -175.8 | -148.1 | 0 | 0 | 112.8 | K245 E246 L251 E252 K253 | K245-E249 PolarHBondContact O-N 3.05Å; E246-E249 PolarHBondContact O-N 2.87Å; E249-L251 VanDerWaalsContact C-N 3.32Å; E249-E252 PolarHBondContact O-N 3.02Å; E249-K253 WeakPolarHBondContact O-CB 3.49Å; E249-K253 VanDerWaalsContact O-CD 3.22Å; E249-K253 WeakPolarHBondContact O-CD 3.18Å; E249-K253 WeakPolarHBondContact O-CG 3.45Å; E249-K253 PolarHBondContact O-N 3.23Å; E249-K253 IonicContact OE2-NZ 3.29Å; E249-K253 PolarHBondContact OE2-NZ 3.34Å |
| 250 | E | 96.4 | Very high | 94.6 | Very high | 99 Ų | 99 | 102.7 Ų | 102.7 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 176.3 | -163.5 | -156 | 172.6 | 0 | 0 | 111.1 | E246 K247 K254 | E246-E250 WeakPolarHBondContact O-CB 3.27Å; E246-E250 PolarHBondContact O-N 3.07Å; K247-E250 PolarHBondContact O-N 2.97Å; E250-K254 VanDerWaalsContact O-CG 3.28Å; E250-K254 WeakPolarHBondContact O-CG 3.35Å; E250-K254 PolarHBondContact O-N 3.22Å; E250-K254 VanDerWaalsContact OE1-CE 3.22Å; E250-K254 WeakPolarHBondContact OE1-CE 3.37Å; E250-K254 IonicContact OE1-NZ 3.06Å; E250-K254 PolarHBondContact OE1-NZ 3.22Å; E250-K254 IonicContact OE2-NZ 2.7Å |
| 251 | L | 94.9 | Very high | 93.9 | Very high | 106 Ų | 106 | 104.3 Ų | 104.3 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.1 | -42.4 | 174.4 | -73.3 | 166.7 | 0 | 0 | 0 | 111.8 | K247 A248 E249 K254 V255 | K247-L251 WeakPolarHBondContact O-CB 3.34Å; K247-L251 WeakPolarHBondContact O-CD1 3.18Å; K247-L251 VanDerWaalsContact O-CG 3.26Å; K247-L251 WeakPolarHBondContact O-CG 3.45Å; K247-L251 PolarHBondContact O-N 3.15Å; A248-L251 PolarHBondContact O-N 3.31Å; E249-L251 VanDerWaalsContact C-N 3.32Å; L251-K254 PolarHBondContact O-N 3.04Å; L251-V255 WeakPolarHBondContact O-CG2 3.44Å; L251-V255 PolarHBondContact O-N 3.24Å |
| 252 | E | 95.6 | Very high | 93 | Very high | 137 Ų | 137 | 101.8 Ų | 101.8 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -46.1 | 174.5 | -175.8 | 179.2 | -164.4 | 0 | 0 | 111.5 | A248 E249 K254 V255 K256 | A248-E252 WeakPolarHBondContact O-CB 3.3Å; A248-E252 PolarHBondContact O-N 2.86Å; E249-E252 PolarHBondContact O-N 3.02Å; E252-K254 VanDerWaalsContact C-N 3.33Å; E252-K254 PolarHBondContact O-N 2.9Å; E252-V255 PolarHBondContact O-N 3.21Å; E252-K256 WeakPolarHBondContact O-CB 3.47Å; E252-K256 PolarHBondContact O-N 3.04Å |
| 253 | K | 93.3 | Very high | 91.9 | Very high | 119 Ų | 119 | 105.8 Ų | 105.8 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 174.5 | -70 | 157.5 | -163.5 | 163.4 | 0 | 111.1 | E249 M257 | E249-K253 WeakPolarHBondContact O-CB 3.49Å; E249-K253 VanDerWaalsContact O-CD 3.22Å; E249-K253 WeakPolarHBondContact O-CD 3.18Å; E249-K253 WeakPolarHBondContact O-CG 3.45Å; E249-K253 PolarHBondContact O-N 3.23Å; E249-K253 IonicContact OE2-NZ 3.29Å; E249-K253 PolarHBondContact OE2-NZ 3.34Å; K253-M257 WeakPolarHBondContact O-CB 3.29Å; K253-M257 VanDerWaalsContact O-CG 3.3Å; K253-M257 WeakPolarHBondContact O-CG 3.37Å; K253-M257 PolarHBondContact O-N 3.4Å |
| 254 | K | 90.4 | Very high | 90.5 | Very high | 114 Ų | 114 | 105.2 Ų | 105.2 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 175 | -74.2 | 167.5 | -174 | 170.4 | 0 | 113.2 | E250 L251 E252 G258 | E250-K254 VanDerWaalsContact O-CG 3.28Å; E250-K254 WeakPolarHBondContact O-CG 3.35Å; E250-K254 PolarHBondContact O-N 3.22Å; E250-K254 VanDerWaalsContact OE1-CE 3.22Å; E250-K254 WeakPolarHBondContact OE1-CE 3.37Å; E250-K254 IonicContact OE1-NZ 3.06Å; E250-K254 PolarHBondContact OE1-NZ 3.22Å; E250-K254 IonicContact OE2-NZ 2.7Å; L251-K254 PolarHBondContact O-N 3.04Å; E252-K254 VanDerWaalsContact C-N 3.33Å; E252-K254 PolarHBondContact O-N 2.9Å; K254-G258 PolarHBondContact O-N 3.47Å |
| 255 | V | 90.9 | Very high | 89.2 | Confident | 103 Ų | 103 | 105.9 Ų | 105.9 | 62% | 0.624 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63 | -46.2 | 175.9 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | L251 E252 G258 Q259 | L251-V255 WeakPolarHBondContact O-CG2 3.44Å; L251-V255 PolarHBondContact O-N 3.24Å; E252-V255 PolarHBondContact O-N 3.21Å; V255-G258 CarbonylContact O-C 3.56Å; V255-G258 PolarHBondContact O-N 2.88Å; V255-Q259 PolarHBondContact O-N 3.47Å |
| 256 | K | 92 | Very high | 88.2 | Confident | 122 Ų | 122 | 106 Ų | 106 | 53% | 0.53 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.3 | -47.9 | 177 | -175.8 | 174 | 173.7 | 178 | 0 | 112.2 | E252 G258 Q259 E260 | E252-K256 WeakPolarHBondContact O-CB 3.47Å; E252-K256 PolarHBondContact O-N 3.04Å; K256-G258 VanDerWaalsContact C-N 3.28Å; K256-G258 PolarHBondContact O-N 3.09Å; K256-Q259 WeakPolarHBondContact O-CB 3.3Å; K256-Q259 PolarHBondContact O-N 3.19Å; K256-E260 WeakPolarHBondContact CE-OE1 3.38Å; K256-E260 IonicContact NZ-OE1 3.04Å; K256-E260 PolarHBondContact O-N 3.09Å |
| 257 | M | 89.1 | Confident | 86.9 | Confident | 110 Ų | 110 | 104.3 Ų | 104.3 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.5 | -41.1 | 173.8 | -73.6 | -60.4 | -53.3 | 0 | 0 | 112.2 | K253 Q259 E260 T261 | K253-M257 WeakPolarHBondContact O-CB 3.29Å; K253-M257 VanDerWaalsContact O-CG 3.3Å; K253-M257 WeakPolarHBondContact O-CG 3.37Å; K253-M257 PolarHBondContact O-N 3.4Å; M257-Q259 VanDerWaalsContact C-N 3.3Å; M257-Q259 PolarHBondContact O-N 3.45Å; M257-E260 PolarHBondContact O-N 3.38Å; M257-T261 WeakPolarHBondContact O-CB 3.46Å; M257-T261 PolarHBondContact O-N 2.98Å; M257-T261 PolarHBondContact O-OG1 3.34Å |
| 258 | G | 86.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 104 Ų | 104 | 20% | 0.196 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -68.9 | -23.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K254 V255 K256 G262 | K254-G258 PolarHBondContact O-N 3.47Å; V255-G258 CarbonylContact O-C 3.56Å; V255-G258 PolarHBondContact O-N 2.88Å; K256-G258 VanDerWaalsContact C-N 3.28Å; K256-G258 PolarHBondContact O-N 3.09Å; G258-G262 CarbonylContact O-C 3.18Å; G258-G262 WeakPolarHBondContact O-CA 3.39Å; G258-G262 PolarHBondContact O-N 3.05Å; G258-G262 VanDerWaalsContact O-N 3.17Å |
| 259 | Q | 88.1 | Confident | 84.7 | Confident | 166 Ų | 166 | 106.6 Ų | 106.6 | 78% | 0.776 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -81.1 | -37.2 | 172.6 | -172.9 | 177.1 | 4 | 0 | 0 | 111.9 | V255 K256 M257 | V255-Q259 PolarHBondContact O-N 3.47Å; K256-Q259 WeakPolarHBondContact O-CB 3.3Å; K256-Q259 PolarHBondContact O-N 3.19Å; M257-Q259 VanDerWaalsContact C-N 3.3Å; M257-Q259 PolarHBondContact O-N 3.45Å |
| 260 | E | 87 | Confident | 83.6 | Confident | 128 Ų | 128 | 104.4 Ų | 104.4 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -79.9 | -38 | -179.2 | -69.9 | 174.5 | 177.9 | 0 | 0 | 113 | K256 M257 | K256-E260 WeakPolarHBondContact CE-OE1 3.38Å; K256-E260 IonicContact NZ-OE1 3.04Å; K256-E260 PolarHBondContact O-N 3.09Å; M257-E260 PolarHBondContact O-N 3.38Å |
| 261 | T | 83.6 | Confident | 82.7 | Confident | 107 Ų | 107 | 103.9 Ų | 103.9 | 66% | 0.656 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -107 | -10 | -174.5 | -46.6 | 0 | 0 | 0 | 0 | 113 | M257 | M257-T261 WeakPolarHBondContact O-CB 3.46Å; M257-T261 PolarHBondContact O-N 2.98Å; M257-T261 PolarHBondContact O-OG1 3.34Å |
| 262 | G | 79.8 | Confident | 82.2 | Confident | 36 Ų | 36 | 106.1 Ų | 106.1 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | trans | 76.8 | 163 | -159.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G258 P264 | G258-G262 CarbonylContact O-C 3.18Å; G258-G262 WeakPolarHBondContact O-CA 3.39Å; G258-G262 PolarHBondContact O-N 3.05Å; G258-G262 VanDerWaalsContact O-N 3.17Å; G262-P264 VanDerWaalsContact O-CD 3.27Å; G262-P264 WeakPolarHBondContact O-CD 3.34Å | ||
| 263 | I | 75.7 | Confident | 81.7 | Confident | 136 Ų | 136 | 101.7 Ų | 101.7 | 70% | 0.697 | 55% | 0.55 | S | S | * | * | trans | -77.8 | 116.5 | 175.3 | -60.6 | 175.1 | 0 | 0 | 0 | 108.7 | L265 | I263-L265 PolarHBondContact O-N 3.03Š| ||
| 264 | P | 69.5 | Low | 81.5 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | trans | -70.2 | 104.4 | 175.5 | 28.8 | -33.4 | 0 | 0 | 0 | 109.6 | G262 N266 | G262-P264 VanDerWaalsContact O-CD 3.27Å; G262-P264 WeakPolarHBondContact O-CD 3.34Å; P264-N266 PolarHBondContact O-N 3.27Å; P264-N266 VanDerWaalsContact O-N 3.09Å | ||
| 265 | L | 70.4 | Confident | 81.4 | Confident | 133 Ų | 133 | 102.2 Ų | 102.2 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | trans | -67.3 | 108 | 174.2 | -63.5 | 176.5 | 0 | 0 | 0 | 109.3 | I263 S267 I270 | I263-L265 PolarHBondContact O-N 3.03Å; L265-S267 PolarHBondContact O-N 3.01Å; L265-S267 VanDerWaalsContact O-N 3.16Å; L265-I270 HydrophobicContact CB-CD1 3.91Å; L265-I270 HydrophobicContact CD1-CD1 4.49Å | ||
| 266 | N | 76.8 | Confident | 81.4 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | trans | -63.8 | 116.1 | 177.1 | -81.5 | -88.9 | 0 | 0 | 0 | 109.9 | P264 T268 L269 I270 | P264-N266 PolarHBondContact O-N 3.27Å; P264-N266 VanDerWaalsContact O-N 3.09Å; N266-T268 PolarHBondContact O-N 3.45Å; N266-T268 VanDerWaalsContact O-N 3.09Å; N266-L269 HydrophobicContact CB-CB 4.42Å; N266-L269 HydrophobicContact CB-CD1 4.04Å; N266-L269 HydrophobicContact CB-CG 3.98Å; N266-L269 WeakPolarHBondContact O-CB 3.48Å; N266-L269 PolarHBondContact O-N 3.03Å; N266-I270 PolarHBondContact O-N 3.4Å | ||
| 267 | S | 72.3 | Confident | 81.2 | Confident | 89 Ų | 89 | 97.1 Ų | 97.1 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -53.1 | -35 | -178.7 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | L265 L269 I270 V271 | L265-S267 PolarHBondContact O-N 3.01Å; L265-S267 VanDerWaalsContact O-N 3.16Å; S267-L269 VanDerWaalsContact C-N 3.32Å; S267-L269 PolarHBondContact O-N 3.36Å; S267-I270 PolarHBondContact O-N 3.29Å; S267-V271 WeakPolarHBondContact O-CG2 3.29Å; S267-V271 PolarHBondContact O-N 3.4Å |
| 268 | T | 75.7 | Confident | 81.3 | Confident | 100 Ų | 100 | 96.3 Ų | 96.3 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.1 | -37.7 | 175.3 | -38.5 | 0 | 0 | 0 | 0 | 113 | N266 V271 Q272 | N266-T268 PolarHBondContact O-N 3.45Å; N266-T268 VanDerWaalsContact O-N 3.09Å; T268-V271 PolarHBondContact O-N 3.45Å; T268-Q272 PolarHBondContact O-N 3.23Å |
| 269 | L | 72.8 | Confident | 81.3 | Confident | 114 Ų | 114 | 98.3 Ų | 98.3 | 60% | 0.597 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -74.8 | -35.1 | 176.5 | -60.5 | -179.6 | 0 | 0 | 0 | 111.6 | N266 S267 V271 Q272 S273 | N266-L269 HydrophobicContact CB-CB 4.42Å; N266-L269 HydrophobicContact CB-CD1 4.04Å; N266-L269 HydrophobicContact CB-CG 3.98Å; N266-L269 WeakPolarHBondContact O-CB 3.48Å; N266-L269 PolarHBondContact O-N 3.03Å; S267-L269 VanDerWaalsContact C-N 3.32Å; S267-L269 PolarHBondContact O-N 3.36Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-Q272 PolarHBondContact O-N 3.12Å; L269-S273 PolarHBondContact O-N 3.18Å |
| 270 | I | 73.9 | Confident | 81.3 | Confident | 50 Ų | 50 | 96.6 Ų | 96.6 | 26% | 0.256 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 171.4 | -63.4 | 168.3 | 0 | 0 | 0 | 109.9 | L265 N266 S267 Q272 S273 N276 I279 | L265-I270 HydrophobicContact CB-CD1 3.91Å; L265-I270 HydrophobicContact CD1-CD1 4.49Å; N266-I270 PolarHBondContact O-N 3.4Å; S267-I270 PolarHBondContact O-N 3.29Å; I270-Q272 VanDerWaalsContact C-N 3.28Å; I270-Q272 PolarHBondContact O-N 3.11Å; I270-S273 WeakPolarHBondContact O-CB 3.43Å; I270-S273 PolarHBondContact O-N 3.16Å; I270-N276 WeakPolarHBondContact O-CB 3.38Å; I270-I279 HydrophobicContact CG2-CG2 4.28Å |
| 271 | V | 78 | Confident | 81.4 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 53% | 0.527 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -33.4 | 179.8 | 168.1 | 0 | 0 | 0 | 0 | 112.7 | S267 T268 L269 S273 N276 | S267-V271 WeakPolarHBondContact O-CG2 3.29Å; S267-V271 PolarHBondContact O-N 3.4Å; T268-V271 PolarHBondContact O-N 3.45Å; L269-V271 VanDerWaalsContact C-N 3.32Å; V271-S273 VanDerWaalsContact C-N 3.31Å; V271-N276 PolarHBondContact O-ND2 2.88Å |
| 272 | Q | 84 | Confident | 81.8 | Confident | 154 Ų | 154 | 96.3 Ų | 96.3 | 72% | 0.72 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.4 | 175.2 | -71.5 | -178.3 | -25.3 | 0 | 0 | 114.3 | T268 L269 I270 | T268-Q272 PolarHBondContact O-N 3.23Å; L269-Q272 PolarHBondContact O-N 3.12Å; I270-Q272 VanDerWaalsContact C-N 3.28Å; I270-Q272 PolarHBondContact O-N 3.11Å |
| 273 | S | 85.9 | Confident | 82.4 | Confident | 44 Ų | 44 | 98 Ų | 98 | 31% | 0.308 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -68.1 | 137.2 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | L269 I270 V271 Q275 N276 | L269-S273 PolarHBondContact O-N 3.18Å; I270-S273 WeakPolarHBondContact O-CB 3.43Å; I270-S273 PolarHBondContact O-N 3.16Å; V271-S273 VanDerWaalsContact C-N 3.31Å; S273-Q275 PolarHBondContact O-N 3.07Å; S273-Q275 VanDerWaalsContact O-N 3.11Å; S273-Q275 PolarHBondContact OG-N 3.36Å; S273-Q275 VanDerWaalsContact OG-N 3.16Å; S273-N276 WeakPolarHBondContact O-CB 3.36Å; S273-N276 PolarHBondContact O-N 2.9Å |
| 274 | S | 88.8 | Confident | 83.2 | Confident | 118 Ų | 118 | 95.6 Ų | 95.6 | 83% | 0.825 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.1 | 169.2 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 275 | Q | 89.1 | Confident | 84.4 | Confident | 125 Ų | 125 | 98.1 Ų | 98.1 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 4.7 | 176.1 | -62.8 | -177.5 | -13.9 | 0 | 0 | 113.6 | S273 S277 V278 I279 | S273-Q275 PolarHBondContact O-N 3.07Å; S273-Q275 VanDerWaalsContact O-N 3.11Å; S273-Q275 PolarHBondContact OG-N 3.36Å; S273-Q275 VanDerWaalsContact OG-N 3.16Å; Q275-S277 VanDerWaalsContact C-N 3.29Å; Q275-S277 PolarHBondContact O-N 3Å; Q275-V278 PolarHBondContact O-N 2.7Å; Q275-I279 HydrophobicContact CB-CD1 4.19Å; Q275-I279 WeakPolarHBondContact O-CG1 3.32Å; Q275-I279 PolarHBondContact O-N 2.9Å |
| 276 | N | 89.8 | Confident | 85.6 | Confident | 33 Ų | 33 | 97.4 Ų | 97.4 | 18% | 0.176 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -52.8 | -45.4 | -176.3 | -179 | 35.4 | 0 | 0 | 0 | 112.1 | I270 V271 S273 V278 I279 Q280 | I270-N276 WeakPolarHBondContact O-CB 3.38Å; V271-N276 PolarHBondContact O-ND2 2.88Å; S273-N276 WeakPolarHBondContact O-CB 3.36Å; S273-N276 PolarHBondContact O-N 2.9Å; N276-V278 VanDerWaalsContact C-N 3.32Å; N276-V278 PolarHBondContact O-N 3.33Å; N276-I279 PolarHBondContact O-N 3.31Å; N276-Q280 VanDerWaalsContact O-CG 3.29Å; N276-Q280 WeakPolarHBondContact O-CG 3.33Å; N276-Q280 PolarHBondContact O-N 3.33Å; N276-Q280 WeakPolarHBondContact OD1-CG 3.33Å; N276-Q280 PolarHBondContact OD1-NE2 3.43Å |
| 277 | S | 88.1 | Confident | 86.5 | Confident | 86 Ų | 86 | 96.2 Ų | 96.2 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -53.7 | -45.5 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | Q275 S281 | Q275-S277 VanDerWaalsContact C-N 3.29Å; Q275-S277 PolarHBondContact O-N 3Å; S277-S281 WeakPolarHBondContact O-CB 3.17Å; S277-S281 PolarHBondContact O-N 3.49Å; S277-S281 PolarHBondContact O-OG 3.05Å |
| 278 | V | 90.6 | Very high | 87.5 | Confident | 92 Ų | 92 | 95 Ų | 95 | 56% | 0.558 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.9 | -30.5 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | Q275 N276 S281 | Q275-V278 PolarHBondContact O-N 2.7Å; N276-V278 VanDerWaalsContact C-N 3.32Å; N276-V278 PolarHBondContact O-N 3.33Å; V278-S281 WeakPolarHBondContact CA-OG 3.36Å; V278-S281 PolarHBondContact O-OG 3.28Å |
| 279 | I | 88.7 | Confident | 88.5 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 32% | 0.318 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.3 | -44.3 | 176.3 | -66.3 | 165.4 | 0 | 0 | 0 | 110.4 | I270 Q275 N276 S281 K282 | I270-I279 HydrophobicContact CG2-CG2 4.28Å; Q275-I279 HydrophobicContact CB-CD1 4.19Å; Q275-I279 WeakPolarHBondContact O-CG1 3.32Å; Q275-I279 PolarHBondContact O-N 2.9Å; N276-I279 PolarHBondContact O-N 3.31Å; I279-S281 VanDerWaalsContact C-N 3.33Å; I279-K282 WeakPolarHBondContact O-CG 3.4Å; I279-K282 PolarHBondContact O-N 3.23Å |
| 280 | Q | 86.8 | Confident | 89.6 | Confident | 129 Ų | 129 | 91.7 Ų | 91.7 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.1 | -28.5 | 177 | -59.3 | -61.1 | -23.2 | 0 | 0 | 112.5 | N276 K282 | N276-Q280 VanDerWaalsContact O-CG 3.29Å; N276-Q280 WeakPolarHBondContact O-CG 3.33Å; N276-Q280 PolarHBondContact O-N 3.33Å; N276-Q280 WeakPolarHBondContact OD1-CG 3.33Å; N276-Q280 PolarHBondContact OD1-NE2 3.43Å; Q280-K282 PolarHBondContact O-N 3.24Å |
| 281 | S | 90.5 | Very high | 90.5 | Very high | 88 Ų | 88 | 99 Ų | 99 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 4.9 | 178.8 | 71.4 | 0 | 0 | 0 | 0 | 114.6 | S277 V278 I279 | S277-S281 WeakPolarHBondContact O-CB 3.17Å; S277-S281 PolarHBondContact O-N 3.49Å; S277-S281 PolarHBondContact O-OG 3.05Å; V278-S281 WeakPolarHBondContact CA-OG 3.36Å; V278-S281 PolarHBondContact O-OG 3.28Å; I279-S281 VanDerWaalsContact C-N 3.33Å |
| 282 | K | 91.9 | Very high | 91.4 | Very high | 142 Ų | 142 | 99.4 Ų | 99.4 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | trans | -72 | 123.7 | -179.6 | -72.4 | -177 | 177.1 | -177.7 | 0 | 111.1 | I279 Q280 | I279-K282 WeakPolarHBondContact O-CG 3.4Å; I279-K282 PolarHBondContact O-N 3.23Å; Q280-K282 PolarHBondContact O-N 3.24Å | ||
| 283 | P | 90.8 | Very high | 92 | Very high | 70 Ų | 70 | 99.5 Ų | 99.5 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | trans | -72 | 152.9 | 178.4 | 31 | -35.6 | 0 | 0 | 0 | 111.5 | Y285 | P283-Y285 HydrophobicContact CG-CE1 4.08Å; P283-Y285 HydrophobicContact CG-CE2 4.16Å; P283-Y285 VanDerWaalsContact O-CD2 3.3Å; P283-Y285 WeakPolarHBondContact O-CD2 3.43Å; P283-Y285 PolarHBondContact O-N 3.48Å | ||
| 284 | N | 93.4 | Very high | 92.5 | Very high | 87 Ų | 87 | 101 Ų | 101 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | trans | -74.7 | 93.6 | 172.4 | -173.5 | 5.8 | 0 | 0 | 0 | 111.1 | H286 D287 V288 | N284-H286 PolarHBondContact O-N 3.15Å; N284-H286 WeakPolarHBondContact OD1-CB 3.38Å; N284-H286 PolarHBondContact OD1-N 3.42Å; N284-H286 VanDerWaalsContact OD1-N 3.12Å; N284-D287 HydrophobicContact CB-CB 4.37Å; N284-D287 PolarHBondContact ND2-OD1 3.48Å; N284-D287 VanDerWaalsContact ND2-OD1 3.15Å; N284-D287 PolarHBondContact ND2-OD2 3.2Å; N284-D287 PolarHBondContact O-N 3.44Å; N284-D287 VanDerWaalsContact O-N 3.11Å; N284-V288 PolarHBondContact O-N 2.9Å | ||
| 285 | Y | 93.7 | Very high | 92.9 | Very high | 156 Ų | 156 | 102.1 Ų | 102.1 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.4 | -26.5 | 177.5 | -63.8 | -78.3 | 0 | 0 | 0 | 113.6 | P283 V288 L289 | P283-Y285 HydrophobicContact CG-CE1 4.08Å; P283-Y285 HydrophobicContact CG-CE2 4.16Å; P283-Y285 VanDerWaalsContact O-CD2 3.3Å; P283-Y285 WeakPolarHBondContact O-CD2 3.43Å; P283-Y285 PolarHBondContact O-N 3.48Å; Y285-V288 PolarHBondContact O-N 2.77Å; Y285-L289 WeakPolarHBondContact O-CG 3.43Å; Y285-L289 PolarHBondContact O-N 2.94Å |
| 286 | H | 95.9 | Very high | 93.2 | Very high | 118 Ų | 118 | 102.5 Ų | 102.5 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 174.7 | -175.4 | 86.9 | 0 | 0 | 0 | 111.3 | N284 V288 L289 C290 | N284-H286 PolarHBondContact O-N 3.15Å; N284-H286 WeakPolarHBondContact OD1-CB 3.38Å; N284-H286 PolarHBondContact OD1-N 3.42Å; N284-H286 VanDerWaalsContact OD1-N 3.12Å; H286-V288 VanDerWaalsContact C-N 3.32Å; H286-V288 PolarHBondContact O-N 3.33Å; H286-L289 PolarHBondContact O-N 3Å; H286-C290 PolarHBondContact NE2-SG 2.94Å; H286-C290 VanDerWaalsContact NE2-SG 3.4Å; H286-C290 VanDerWaalsContact O-CB 3.32Å; H286-C290 WeakPolarHBondContact O-CB 3.34Å; H286-C290 PolarHBondContact O-N 3.14Å; H286-C290 PolarHBondContact O-SG 3.26Å |
| 287 | D | 95.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 106.7 Ų | 106.7 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 178.8 | -63.6 | -20.2 | 0 | 0 | 0 | 111.7 | N284 C290 R291 | N284-D287 HydrophobicContact CB-CB 4.37Å; N284-D287 PolarHBondContact ND2-OD1 3.48Å; N284-D287 VanDerWaalsContact ND2-OD1 3.15Å; N284-D287 PolarHBondContact ND2-OD2 3.2Å; N284-D287 PolarHBondContact O-N 3.44Å; N284-D287 VanDerWaalsContact O-N 3.11Å; D287-C290 PolarHBondContact O-N 3.01Å; D287-R291 WeakPolarHBondContact O-CB 3.17Å; D287-R291 WeakPolarHBondContact O-CD 3.39Å; D287-R291 WeakPolarHBondContact O-CG 3.42Å; D287-R291 PolarHBondContact O-N 3.34Å |
| 288 | V | 94.9 | Very high | 94.1 | Very high | 63 Ų | 63 | 106.3 Ų | 106.3 | 38% | 0.382 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 175 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | N284 Y285 H286 C290 R291 Q292 | N284-V288 PolarHBondContact O-N 2.9Å; Y285-V288 PolarHBondContact O-N 2.77Å; H286-V288 VanDerWaalsContact C-N 3.32Å; H286-V288 PolarHBondContact O-N 3.33Å; V288-C290 PolarHBondContact O-N 2.87Å; V288-R291 PolarHBondContact O-N 3.32Å; V288-Q292 WeakPolarHBondContact O-CG 3.16Å; V288-Q292 PolarHBondContact O-N 3.49Å |
| 289 | L | 94.8 | Very high | 94.4 | Very high | 105 Ų | 105 | 106.7 Ų | 106.7 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 177.8 | -67.8 | 170.2 | 0 | 0 | 0 | 112 | Y285 H286 R291 Q292 R293 | Y285-L289 WeakPolarHBondContact O-CG 3.43Å; Y285-L289 PolarHBondContact O-N 2.94Å; H286-L289 PolarHBondContact O-N 3Å; L289-R291 VanDerWaalsContact C-N 3.34Å; L289-R291 PolarHBondContact O-N 3.26Å; L289-Q292 PolarHBondContact O-N 3.19Å; L289-R293 PolarHBondContact O-N 3.35Å |
| 290 | C | 95.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 105.8 Ų | 105.8 | 27% | 0.27 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.5 | -31.3 | 175.2 | -78 | 0 | 0 | 0 | 0 | 112.9 | H286 D287 V288 P294 | H286-C290 PolarHBondContact NE2-SG 2.94Å; H286-C290 VanDerWaalsContact NE2-SG 3.4Å; H286-C290 VanDerWaalsContact O-CB 3.32Å; H286-C290 WeakPolarHBondContact O-CB 3.34Å; H286-C290 PolarHBondContact O-N 3.14Å; H286-C290 PolarHBondContact O-SG 3.26Å; D287-C290 PolarHBondContact O-N 3.01Å; V288-C290 PolarHBondContact O-N 2.87Å; C290-P294 WeakPolarHBondContact O-CD 3.47Å |
| 291 | R | 94.6 | Very high | 95.4 | Very high | 203 Ų | 203 | 104.4 Ų | 104.4 | 77% | 0.766 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.4 | -31.6 | 170.2 | -73 | 165 | -174.2 | -119.9 | 3.5 | 113 | D287 V288 L289 | D287-R291 WeakPolarHBondContact O-CB 3.17Å; D287-R291 WeakPolarHBondContact O-CD 3.39Å; D287-R291 WeakPolarHBondContact O-CG 3.42Å; D287-R291 PolarHBondContact O-N 3.34Å; V288-R291 PolarHBondContact O-N 3.32Å; L289-R291 VanDerWaalsContact C-N 3.34Å; L289-R291 PolarHBondContact O-N 3.26Å |
| 292 | Q | 95.6 | Very high | 95.8 | Very high | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.7 | -31.8 | 178.2 | -72.9 | 172.5 | -14.5 | 0 | 0 | 113.3 | V288 L289 M295 M296 | V288-Q292 WeakPolarHBondContact O-CG 3.16Å; V288-Q292 PolarHBondContact O-N 3.49Å; L289-Q292 PolarHBondContact O-N 3.19Å; Q292-M295 WeakPolarHBondContact O-CB 3.42Å; Q292-M295 PolarHBondContact O-N 3.09Å; Q292-M295 VanDerWaalsContact O-N 3.07Å; Q292-M296 PolarHBondContact O-N 3.1Å; Q292-M296 VanDerWaalsContact O-N 3.1Å |
| 293 | R | 96.3 | Very high | 96.1 | Very high | 156 Ų | 156 | 101.9 Ų | 101.9 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -54.7 | -46.3 | -176.9 | -175.5 | -172 | -59 | 149.7 | 6.2 | 114 | L289 M295 M296 H297 | L289-R293 PolarHBondContact O-N 3.35Å; R293-M295 PolarHBondContact O-N 2.96Å; R293-M296 PolarHBondContact O-N 3.45Å; R293-H297 PolarHBondContact O-N 3.05Å; R293-H297 VanDerWaalsContact O-N 3.09Å |
| 294 | P | 96.8 | Very high | 96.5 | Very high | 76 Ų | 76 | 102.3 Ų | 102.3 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 173.9 | -25.3 | 34.8 | 0 | 0 | 0 | 113.3 | C290 M296 H297 T298 | C290-P294 WeakPolarHBondContact O-CD 3.47Å; P294-M296 PolarHBondContact O-N 3.47Å; P294-H297 PolarHBondContact O-N 3.5Å; P294-T298 PolarHBondContact O-N 3.37Å; P294-T298 PolarHBondContact O-OG1 3.31Å |
| 295 | M | 96.7 | Very high | 96.7 | Very high | 141 Ų | 141 | 101.5 Ų | 101.5 | 70% | 0.695 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | -179.6 | -173.7 | 180 | -178.5 | 0 | 0 | 111.7 | Q292 R293 T298 M299 | Q292-M295 WeakPolarHBondContact O-CB 3.42Å; Q292-M295 PolarHBondContact O-N 3.09Å; Q292-M295 VanDerWaalsContact O-N 3.07Å; R293-M295 PolarHBondContact O-N 2.96Å; M295-T298 PolarHBondContact O-N 3.47Å; M295-M299 WeakPolarHBondContact O-CB 3.15Å; M295-M299 PolarHBondContact O-N 3.45Å |
| 296 | M | 96.8 | Very high | 96.9 | Very high | 132 Ų | 132 | 98.9 Ų | 98.9 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 174.6 | -63.8 | -163.9 | -60.9 | 0 | 0 | 112.1 | Q292 R293 P294 M299 A300 | Q292-M296 PolarHBondContact O-N 3.1Å; Q292-M296 VanDerWaalsContact O-N 3.1Å; R293-M296 PolarHBondContact O-N 3.45Å; P294-M296 PolarHBondContact O-N 3.47Å; M296-M299 PolarHBondContact O-N 3.07Å; M296-A300 PolarHBondContact O-N 2.99Å |
| 297 | H | 97.8 | Very high | 97 | Very high | 121 Ų | 121 | 96.6 Ų | 96.6 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 176.9 | -178.9 | 59.2 | 0 | 0 | 0 | 112.1 | R293 P294 M299 A300 M301 | R293-H297 PolarHBondContact O-N 3.05Å; R293-H297 VanDerWaalsContact O-N 3.09Å; P294-H297 PolarHBondContact O-N 3.5Å; H297-M299 PolarHBondContact O-N 2.99Å; H297-A300 PolarHBondContact O-N 3.26Å; H297-M301 WeakPolarHBondContact O-CG 3.47Å; H297-M301 PolarHBondContact O-N 3.49Å |
| 298 | T | 97.9 | Very high | 97.2 | Very high | 78 Ų | 78 | 98.1 Ų | 98.1 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.4 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | P294 M295 M301 I302 | P294-T298 PolarHBondContact O-N 3.37Å; P294-T298 PolarHBondContact O-OG1 3.31Å; M295-T298 PolarHBondContact O-N 3.47Å; T298-M301 PolarHBondContact O-N 3.14Å; T298-I302 HydrophobicContact CG2-CD1 3.91Å; T298-I302 VanDerWaalsContact O-CG1 3.3Å; T298-I302 WeakPolarHBondContact O-CG1 3.4Å; T298-I302 PolarHBondContact O-N 3.06Å |
| 299 | M | 98.3 | Very high | 97.3 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 50% | 0.498 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.7 | -173 | 64.5 | 78.6 | 0 | 0 | 111.6 | M295 M296 H297 M301 I302 M303 | M295-M299 WeakPolarHBondContact O-CB 3.15Å; M295-M299 PolarHBondContact O-N 3.45Å; M296-M299 PolarHBondContact O-N 3.07Å; H297-M299 PolarHBondContact O-N 2.99Å; M299-M301 PolarHBondContact O-N 2.89Å; M299-I302 PolarHBondContact O-N 2.94Å; M299-M303 HydrophobicContact CG-CE 4.19Å; M299-M303 WeakPolarHBondContact O-CG 3.49Å; M299-M303 PolarHBondContact O-N 2.77Å |
| 300 | A | 98.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 99.9 Ų | 99.9 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M296 H297 I302 M303 D304 | M296-A300 PolarHBondContact O-N 2.99Å; H297-A300 PolarHBondContact O-N 3.26Å; A300-I302 VanDerWaalsContact C-N 3.31Å; A300-I302 PolarHBondContact O-N 3.49Å; A300-M303 PolarHBondContact O-N 3.3Å; A300-D304 WeakPolarHBondContact O-CB 3.35Å; A300-D304 PolarHBondContact O-N 3.29Å |
| 301 | M | 98.4 | Very high | 97.6 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -36.4 | 177.1 | -74 | -63.2 | -63 | 0 | 0 | 113.2 | H297 T298 M299 T305 | H297-M301 WeakPolarHBondContact O-CG 3.47Å; H297-M301 PolarHBondContact O-N 3.49Å; T298-M301 PolarHBondContact O-N 3.14Å; M299-M301 PolarHBondContact O-N 2.89Å; M301-T305 WeakPolarHBondContact O-CB 3.47Å; M301-T305 PolarHBondContact O-N 3.49Å; M301-T305 VanDerWaalsContact O-N 3.07Å; M301-T305 PolarHBondContact O-OG1 2.86Å |
| 302 | I | 98.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 99.7 Ų | 99.7 | 40% | 0.4 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -48.6 | 175 | -71 | 165.8 | 0 | 0 | 0 | 110.6 | T298 M299 A300 D304 T305 Q306 | T298-I302 HydrophobicContact CG2-CD1 3.91Å; T298-I302 VanDerWaalsContact O-CG1 3.3Å; T298-I302 WeakPolarHBondContact O-CG1 3.4Å; T298-I302 PolarHBondContact O-N 3.06Å; M299-I302 PolarHBondContact O-N 2.94Å; A300-I302 VanDerWaalsContact C-N 3.31Å; A300-I302 PolarHBondContact O-N 3.49Å; I302-D304 PolarHBondContact O-N 2.91Å; I302-T305 PolarHBondContact O-N 3.47Å; I302-Q306 HydrophobicContact CG2-CG 4.49Å; I302-Q306 WeakPolarHBondContact O-CG 3.42Å; I302-Q306 PolarHBondContact O-N 3.05Å |
| 303 | M | 98.6 | Very high | 97.9 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 49% | 0.493 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 178.1 | -68 | -174.4 | -61.9 | 0 | 0 | 111.5 | M299 A300 T305 Q306 C307 | M299-M303 HydrophobicContact CG-CE 4.19Å; M299-M303 WeakPolarHBondContact O-CG 3.49Å; M299-M303 PolarHBondContact O-N 2.77Å; A300-M303 PolarHBondContact O-N 3.3Å; M303-T305 VanDerWaalsContact C-N 3.29Å; M303-T305 PolarHBondContact O-N 2.96Å; M303-Q306 PolarHBondContact O-N 3.28Å; M303-C307 WeakPolarHBondContact O-CB 3.36Å; M303-C307 PolarHBondContact O-N 3Å; M303-C307 PolarHBondContact O-SG 3.45Å; M303-C307 VanDerWaalsContact O-SG 3.34Å |
| 304 | D | 98.4 | Very high | 98 | Very high | 79 Ų | 79 | 97 Ų | 97 | 42% | 0.422 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.3 | -43.6 | 175 | -110.5 | 37.5 | 0 | 0 | 0 | 112.4 | A300 I302 K308 | A300-D304 WeakPolarHBondContact O-CB 3.35Å; A300-D304 PolarHBondContact O-N 3.29Å; I302-D304 PolarHBondContact O-N 2.91Å; D304-K308 WeakPolarHBondContact O-CB 3.34Å; D304-K308 VanDerWaalsContact O-CD 3.29Å; D304-K308 WeakPolarHBondContact O-CD 3.38Å; D304-K308 VanDerWaalsContact O-CG 3.22Å; D304-K308 WeakPolarHBondContact O-CG 3.4Å; D304-K308 PolarHBondContact O-N 2.92Å; D304-K308 IonicContact OD2-NZ 2.73Å; D304-K308 PolarHBondContact OD2-NZ 3.5Å |
| 305 | T | 98 | Very high | 98.1 | Very high | 69 Ų | 69 | 96 Ų | 96 | 42% | 0.423 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 179.7 | -56.6 | 0 | 0 | 0 | 0 | 111 | M301 I302 M303 K308 M309 | M301-T305 WeakPolarHBondContact O-CB 3.47Å; M301-T305 PolarHBondContact O-N 3.49Å; M301-T305 VanDerWaalsContact O-N 3.07Å; M301-T305 PolarHBondContact O-OG1 2.86Å; I302-T305 PolarHBondContact O-N 3.47Å; M303-T305 VanDerWaalsContact C-N 3.29Å; M303-T305 PolarHBondContact O-N 2.96Å; T305-K308 PolarHBondContact O-N 3.23Å; T305-M309 HydrophobicContact CG2-CE 4.3Å; T305-M309 WeakPolarHBondContact O-CG 3.4Å; T305-M309 PolarHBondContact O-N 3.23Å |
| 306 | Q | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 93.8 Ų | 93.8 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 174.9 | -71.8 | 175.2 | -1.7 | 0 | 0 | 111.8 | I302 M303 K308 M309 I310 | I302-Q306 HydrophobicContact CG2-CG 4.49Å; I302-Q306 WeakPolarHBondContact O-CG 3.42Å; I302-Q306 PolarHBondContact O-N 3.05Å; M303-Q306 PolarHBondContact O-N 3.28Å; Q306-K308 PolarHBondContact O-N 2.98Å; Q306-M309 HydrophobicContact CG-CE 4.16Å; Q306-M309 PolarHBondContact O-N 3.42Å; Q306-I310 VanDerWaalsContact O-CG1 3.3Å; Q306-I310 WeakPolarHBondContact O-CG1 3.3Å; Q306-I310 PolarHBondContact O-N 3.01Å |
| 307 | C | 97.9 | Very high | 98.2 | Very high | 70 Ų | 70 | 92.8 Ų | 92.8 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 174.6 | -72.3 | 0 | 0 | 0 | 0 | 112 | M303 I310 Q311 | M303-C307 WeakPolarHBondContact O-CB 3.36Å; M303-C307 PolarHBondContact O-N 3Å; M303-C307 PolarHBondContact O-SG 3.45Å; M303-C307 VanDerWaalsContact O-SG 3.34Å; C307-I310 PolarHBondContact O-N 2.92Å; C307-Q311 WeakPolarHBondContact O-CG 3.36Å; C307-Q311 PolarHBondContact O-N 3.26Å |
| 308 | K | 98.3 | Very high | 98.2 | Very high | 108 Ų | 108 | 92.7 Ų | 92.7 | 47% | 0.47 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62 | -43 | 176.8 | -71.8 | 159.8 | -167.2 | 155.7 | 0 | 111.9 | D304 T305 Q306 Q311 Q312 | D304-K308 WeakPolarHBondContact O-CB 3.34Å; D304-K308 VanDerWaalsContact O-CD 3.29Å; D304-K308 WeakPolarHBondContact O-CD 3.38Å; D304-K308 VanDerWaalsContact O-CG 3.22Å; D304-K308 WeakPolarHBondContact O-CG 3.4Å; D304-K308 PolarHBondContact O-N 2.92Å; D304-K308 IonicContact OD2-NZ 2.73Å; D304-K308 PolarHBondContact OD2-NZ 3.5Å; T305-K308 PolarHBondContact O-N 3.23Å; Q306-K308 PolarHBondContact O-N 2.98Å; K308-Q311 PolarHBondContact O-N 3.36Å; K308-Q312 WeakPolarHBondContact O-CG 3.48Å; K308-Q312 PolarHBondContact O-N 3.5Å; K308-Q312 VanDerWaalsContact O-N 3.08Å |
| 309 | M | 98.4 | Very high | 98.2 | Very high | 106 Ų | 106 | 94.9 Ų | 94.9 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.2 | -72.9 | -172.4 | -62.4 | 0 | 0 | 112.6 | T305 Q306 Q312 L313 | T305-M309 HydrophobicContact CG2-CE 4.3Å; T305-M309 WeakPolarHBondContact O-CG 3.4Å; T305-M309 PolarHBondContact O-N 3.23Å; Q306-M309 HydrophobicContact CG-CE 4.16Å; Q306-M309 PolarHBondContact O-N 3.42Å; M309-Q312 PolarHBondContact O-N 3.14Å; M309-L313 WeakPolarHBondContact O-CG 3.44Å; M309-L313 PolarHBondContact O-N 2.85Å |
| 310 | I | 98.4 | Very high | 98.2 | Very high | 99 Ų | 99 | 92.8 Ų | 92.8 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 178 | -69.5 | 164.6 | 0 | 0 | 0 | 110.8 | Q306 C307 L313 L314 | Q306-I310 VanDerWaalsContact O-CG1 3.3Å; Q306-I310 WeakPolarHBondContact O-CG1 3.3Å; Q306-I310 PolarHBondContact O-N 3.01Å; C307-I310 PolarHBondContact O-N 2.92Å; I310-L313 PolarHBondContact O-N 3.2Å; I310-L314 HydrophobicContact CG2-CD1 4.15Å; I310-L314 WeakPolarHBondContact O-CG 3.27Å; I310-L314 PolarHBondContact O-N 3.36Å |
| 311 | Q | 98.3 | Very high | 98.1 | Very high | 117 Ų | 117 | 95.5 Ų | 95.5 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 174.9 | -73 | 170.8 | -8 | 0 | 0 | 111.9 | C307 K308 L313 L314 T315 | C307-Q311 WeakPolarHBondContact O-CG 3.36Å; C307-Q311 PolarHBondContact O-N 3.26Å; K308-Q311 PolarHBondContact O-N 3.36Å; Q311-L313 VanDerWaalsContact C-N 3.34Å; Q311-L313 PolarHBondContact O-N 3.01Å; Q311-L314 WeakPolarHBondContact O-CB 3.25Å; Q311-L314 PolarHBondContact O-N 2.94Å; Q311-T315 PolarHBondContact O-N 3.08Å; Q311-T315 PolarHBondContact O-OG1 2.96Å |
| 312 | Q | 98.4 | Very high | 98 | Very high | 123 Ų | 123 | 96.7 Ų | 96.7 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.5 | -40.5 | 177.2 | -67.5 | -62.7 | -55.5 | 0 | 0 | 112.4 | K308 M309 L314 T315 I316 | K308-Q312 WeakPolarHBondContact O-CG 3.48Å; K308-Q312 PolarHBondContact O-N 3.5Å; K308-Q312 VanDerWaalsContact O-N 3.08Å; M309-Q312 PolarHBondContact O-N 3.14Å; Q312-L314 VanDerWaalsContact C-N 3.32Å; Q312-L314 PolarHBondContact O-N 3.28Å; Q312-T315 PolarHBondContact O-N 3.18Å; Q312-I316 VanDerWaalsContact O-CG1 3.29Å; Q312-I316 WeakPolarHBondContact O-CG1 3.3Å; Q312-I316 PolarHBondContact O-N 3.35Å |
| 313 | L | 98.3 | Very high | 98 | Very high | 116 Ų | 116 | 98.1 Ų | 98.1 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -34.7 | 175.8 | -71.7 | 169.8 | 0 | 0 | 0 | 112.7 | M309 I310 Q311 K317 | M309-L313 WeakPolarHBondContact O-CG 3.44Å; M309-L313 PolarHBondContact O-N 2.85Å; I310-L313 PolarHBondContact O-N 3.2Å; Q311-L313 VanDerWaalsContact C-N 3.34Å; Q311-L313 PolarHBondContact O-N 3.01Å; L313-K317 WeakPolarHBondContact O-CB 3.34Å; L313-K317 PolarHBondContact O-N 3.49Å |
| 314 | L | 98.1 | Very high | 97.9 | Very high | 80 Ų | 80 | 97.9 Ų | 97.9 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 173 | -70.7 | 167.8 | 0 | 0 | 0 | 111.4 | I310 Q311 Q312 I316 K317 E318 | I310-L314 HydrophobicContact CG2-CD1 4.15Å; I310-L314 WeakPolarHBondContact O-CG 3.27Å; I310-L314 PolarHBondContact O-N 3.36Å; Q311-L314 WeakPolarHBondContact O-CB 3.25Å; Q311-L314 PolarHBondContact O-N 2.94Å; Q312-L314 VanDerWaalsContact C-N 3.32Å; Q312-L314 PolarHBondContact O-N 3.28Å; L314-I316 PolarHBondContact O-N 2.9Å; L314-K317 WeakPolarHBondContact O-CB 3.39Å; L314-K317 PolarHBondContact O-N 3.31Å; L314-E318 WeakPolarHBondContact O-CG 3.35Å; L314-E318 PolarHBondContact O-N 3.45Å |
| 315 | T | 98.4 | Very high | 97.7 | Very high | 53 Ų | 53 | 100.9 Ų | 100.9 | 33% | 0.325 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 175.5 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | Q311 Q312 K317 E318 Q319 | Q311-T315 PolarHBondContact O-N 3.08Å; Q311-T315 PolarHBondContact O-OG1 2.96Å; Q312-T315 PolarHBondContact O-N 3.18Å; T315-K317 PolarHBondContact O-N 3Å; T315-E318 PolarHBondContact O-N 3.18Å; T315-Q319 HydrophobicContact CG2-CG 4.46Å; T315-Q319 WeakPolarHBondContact O-CB 3.45Å; T315-Q319 VanDerWaalsContact O-CG 3.31Å; T315-Q319 WeakPolarHBondContact O-CG 3.29Å; T315-Q319 PolarHBondContact O-N 2.99Å |
| 316 | I | 98.1 | Very high | 97.6 | Very high | 96 Ų | 96 | 103.7 Ų | 103.7 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 176.3 | -68.2 | 164.5 | 0 | 0 | 0 | 111.2 | Q312 L314 S320 | Q312-I316 VanDerWaalsContact O-CG1 3.29Å; Q312-I316 WeakPolarHBondContact O-CG1 3.3Å; Q312-I316 PolarHBondContact O-N 3.35Å; L314-I316 PolarHBondContact O-N 2.9Å; I316-S320 WeakPolarHBondContact O-CB 3.33Å; I316-S320 PolarHBondContact O-N 3.01Å; I316-S320 PolarHBondContact O-OG 2.99Å |
| 317 | K | 97.8 | Very high | 97.4 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -44 | 173.5 | 176 | -165.3 | 169.7 | -162.6 | 0 | 111.4 | L313 L314 T315 S320 Q321 | L313-K317 WeakPolarHBondContact O-CB 3.34Å; L313-K317 PolarHBondContact O-N 3.49Å; L314-K317 WeakPolarHBondContact O-CB 3.39Å; L314-K317 PolarHBondContact O-N 3.31Å; T315-K317 PolarHBondContact O-N 3Å; K317-S320 WeakPolarHBondContact CA-OG 3.38Å; K317-S320 PolarHBondContact O-OG 3.42Å; K317-S320 VanDerWaalsContact O-OG 3.08Å; K317-Q321 WeakPolarHBondContact O-CB 3.38Å; K317-Q321 VanDerWaalsContact O-CG 3.27Å; K317-Q321 WeakPolarHBondContact O-CG 3.36Å; K317-Q321 PolarHBondContact O-N 2.94Å |
| 318 | E | 97.9 | Very high | 97.1 | Very high | 118 Ų | 118 | 101.9 Ų | 101.9 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -45.9 | 178.9 | -73.1 | 164.1 | -170.6 | 0 | 0 | 111.8 | L314 T315 Q321 L322 | L314-E318 WeakPolarHBondContact O-CG 3.35Å; L314-E318 PolarHBondContact O-N 3.45Å; T315-E318 PolarHBondContact O-N 3.18Å; E318-Q321 PolarHBondContact O-N 3.34Å; E318-L322 WeakPolarHBondContact O-CB 3.35Å; E318-L322 PolarHBondContact O-N 3.19Å |
| 319 | Q | 97.9 | Very high | 96.7 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 176.1 | -72.7 | 175.1 | -5 | 0 | 0 | 112.4 | T315 L322 L323 | T315-Q319 HydrophobicContact CG2-CG 4.46Å; T315-Q319 WeakPolarHBondContact O-CB 3.45Å; T315-Q319 VanDerWaalsContact O-CG 3.31Å; T315-Q319 WeakPolarHBondContact O-CG 3.29Å; T315-Q319 PolarHBondContact O-N 2.99Å; Q319-L322 PolarHBondContact O-N 3.42Å; Q319-L323 WeakPolarHBondContact O-CB 3.22Å; Q319-L323 PolarHBondContact O-N 2.96Å |
| 320 | S | 97.2 | Very high | 96.3 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -37.5 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | I316 K317 L323 V324 | I316-S320 WeakPolarHBondContact O-CB 3.33Å; I316-S320 PolarHBondContact O-N 3.01Å; I316-S320 PolarHBondContact O-OG 2.99Å; K317-S320 WeakPolarHBondContact CA-OG 3.38Å; K317-S320 PolarHBondContact O-OG 3.42Å; K317-S320 VanDerWaalsContact O-OG 3.08Å; S320-L323 PolarHBondContact O-N 3.42Å; S320-V324 WeakPolarHBondContact O-CB 3.35Å; S320-V324 WeakPolarHBondContact O-CG2 3.45Å; S320-V324 PolarHBondContact O-N 3.31Å |
| 321 | Q | 97.2 | Very high | 95.9 | Very high | 100 Ų | 100 | 100.2 Ų | 100.2 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 171.4 | -77.1 | -174.6 | -9.2 | 0 | 0 | 112.5 | K317 E318 K325 | K317-Q321 WeakPolarHBondContact O-CB 3.38Å; K317-Q321 VanDerWaalsContact O-CG 3.27Å; K317-Q321 WeakPolarHBondContact O-CG 3.36Å; K317-Q321 PolarHBondContact O-N 2.94Å; E318-Q321 PolarHBondContact O-N 3.34Å; Q321-K325 WeakPolarHBondContact O-CB 3.45Å; Q321-K325 VanDerWaalsContact O-CG 3.25Å; Q321-K325 WeakPolarHBondContact O-CG 3.4Å; Q321-K325 PolarHBondContact O-N 3.08Å |
| 322 | L | 96.8 | Very high | 95.4 | Very high | 124 Ų | 124 | 96.3 Ų | 96.3 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 175.3 | -177.4 | 64.2 | 0 | 0 | 0 | 111.5 | E318 Q319 K325 K326 | E318-L322 WeakPolarHBondContact O-CB 3.35Å; E318-L322 PolarHBondContact O-N 3.19Å; Q319-L322 PolarHBondContact O-N 3.42Å; L322-K325 PolarHBondContact O-N 2.69Å; L322-K326 WeakPolarHBondContact O-CB 3.29Å; L322-K326 PolarHBondContact O-N 3.15Å |
| 323 | L | 97.1 | Very high | 94.8 | Very high | 109 Ų | 109 | 94.4 Ų | 94.4 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -49.9 | 177.1 | -179.5 | 62 | 0 | 0 | 0 | 111.6 | Q319 S320 K325 K326 T327 | Q319-L323 WeakPolarHBondContact O-CB 3.22Å; Q319-L323 PolarHBondContact O-N 2.96Å; S320-L323 PolarHBondContact O-N 3.42Å; L323-K325 VanDerWaalsContact C-N 3.33Å; L323-K325 PolarHBondContact O-N 3.07Å; L323-K326 PolarHBondContact O-N 2.92Å; L323-K326 VanDerWaalsContact O-N 3.15Å; L323-T327 HydrophobicContact CD1-CG2 4.21Å; L323-T327 PolarHBondContact O-N 2.96Å; L323-T327 PolarHBondContact O-OG1 3.47Å |
| 324 | V | 96.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 96.9 Ų | 96.9 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | S320 T327 S328 | S320-V324 WeakPolarHBondContact O-CB 3.35Å; S320-V324 WeakPolarHBondContact O-CG2 3.45Å; S320-V324 PolarHBondContact O-N 3.31Å; V324-T327 PolarHBondContact O-OG1 3.43Å; V324-S328 WeakPolarHBondContact O-CB 3.38Å; V324-S328 PolarHBondContact O-N 3.03Å |
| 325 | K | 94.6 | Very high | 93.5 | Very high | 141 Ų | 141 | 96 Ų | 96 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | 172 | -77.9 | 173.1 | 178.4 | 179.7 | 0 | 111.4 | Q321 L322 L323 S328 V329 | Q321-K325 WeakPolarHBondContact O-CB 3.45Å; Q321-K325 VanDerWaalsContact O-CG 3.25Å; Q321-K325 WeakPolarHBondContact O-CG 3.4Å; Q321-K325 PolarHBondContact O-N 3.08Å; L322-K325 PolarHBondContact O-N 2.69Å; L323-K325 VanDerWaalsContact C-N 3.33Å; L323-K325 PolarHBondContact O-N 3.07Å; K325-S328 PolarHBondContact O-N 3.17Å; K325-V329 WeakPolarHBondContact O-CG2 3.09Å; K325-V329 PolarHBondContact O-N 3.31Å |
| 326 | K | 95.6 | Very high | 92.5 | Very high | 128 Ų | 128 | 96.1 Ų | 96.1 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -50.7 | -179.8 | -174.8 | -177.7 | 174.5 | -178.5 | 0 | 111.7 | L322 L323 S328 V329 Q330 | L322-K326 WeakPolarHBondContact O-CB 3.29Å; L322-K326 PolarHBondContact O-N 3.15Å; L323-K326 PolarHBondContact O-N 2.92Å; L323-K326 VanDerWaalsContact O-N 3.15Å; K326-S328 PolarHBondContact O-N 3.44Å; K326-V329 PolarHBondContact O-N 3.43Å; K326-Q330 WeakPolarHBondContact O-CG 3.31Å; K326-Q330 PolarHBondContact O-N 2.88Å |
| 327 | T | 94.5 | Very high | 91.2 | Very high | 59 Ų | 59 | 97.2 Ų | 97.2 | 36% | 0.362 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | -179.7 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | L323 V324 V329 Q330 L331 | L323-T327 HydrophobicContact CD1-CG2 4.21Å; L323-T327 PolarHBondContact O-N 2.96Å; L323-T327 PolarHBondContact O-OG1 3.47Å; V324-T327 PolarHBondContact O-OG1 3.43Å; T327-V329 VanDerWaalsContact C-N 3.31Å; T327-V329 PolarHBondContact O-N 3.34Å; T327-Q330 PolarHBondContact O-N 2.91Å; T327-L331 WeakPolarHBondContact O-CB 3.44Å; T327-L331 VanDerWaalsContact O-CG 3.31Å; T327-L331 WeakPolarHBondContact O-CG 3.36Å; T327-L331 PolarHBondContact O-N 2.82Å |
| 328 | S | 91.1 | Very high | 89.6 | Confident | 75 Ų | 75 | 98.6 Ų | 98.6 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -30.1 | 174 | -175 | 0 | 0 | 0 | 0 | 113.3 | V324 K325 K326 A332 | V324-S328 WeakPolarHBondContact O-CB 3.38Å; V324-S328 PolarHBondContact O-N 3.03Å; K325-S328 PolarHBondContact O-N 3.17Å; K326-S328 PolarHBondContact O-N 3.44Å; S328-A332 WeakPolarHBondContact O-CB 3.37Å; S328-A332 PolarHBondContact O-N 2.97Å |
| 329 | V | 89.2 | Confident | 87.7 | Confident | 78 Ų | 78 | 102 Ų | 102 | 47% | 0.473 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.9 | -53.5 | 170.4 | 168.5 | 0 | 0 | 0 | 0 | 109.5 | K325 K326 T327 L331 A332 E333 | K325-V329 WeakPolarHBondContact O-CG2 3.09Å; K325-V329 PolarHBondContact O-N 3.31Å; K326-V329 PolarHBondContact O-N 3.43Å; T327-V329 VanDerWaalsContact C-N 3.31Å; T327-V329 PolarHBondContact O-N 3.34Å; V329-L331 VanDerWaalsContact C-N 3.29Å; V329-L331 PolarHBondContact O-N 3.17Å; V329-A332 CarbonylContact O-C 3.55Å; V329-A332 WeakPolarHBondContact O-CA 3.34Å; V329-A332 WeakPolarHBondContact O-CB 3.37Å; V329-A332 PolarHBondContact O-N 3.33Å; V329-E333 HydrophobicContact CG1-CG 4.18Å; V329-E333 WeakPolarHBondContact O-CG 3.49Å; V329-E333 PolarHBondContact O-N 3Å |
| 330 | Q | 91.3 | Very high | 86 | Confident | 93 Ų | 93 | 99.8 Ų | 99.8 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.1 | -39.8 | -178 | -67.5 | -178.3 | -81.5 | 0 | 0 | 113 | K326 T327 A332 E333 E334 | K326-Q330 WeakPolarHBondContact O-CG 3.31Å; K326-Q330 PolarHBondContact O-N 2.88Å; T327-Q330 PolarHBondContact O-N 2.91Å; Q330-A332 VanDerWaalsContact C-N 3.34Å; Q330-E333 PolarHBondContact O-N 3.31Å; Q330-E334 WeakPolarHBondContact O-CB 3.32Å; Q330-E334 PolarHBondContact O-N 3.47Å |
| 331 | L | 90 | Very high | 84.3 | Confident | 108 Ų | 108 | 100.3 Ų | 100.3 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.3 | -30.5 | 174 | -71.9 | 168.1 | 0 | 0 | 0 | 113 | T327 V329 A335 | T327-L331 WeakPolarHBondContact O-CB 3.44Å; T327-L331 VanDerWaalsContact O-CG 3.31Å; T327-L331 WeakPolarHBondContact O-CG 3.36Å; T327-L331 PolarHBondContact O-N 2.82Å; V329-L331 VanDerWaalsContact C-N 3.29Å; V329-L331 PolarHBondContact O-N 3.17Å; L331-A335 WeakPolarHBondContact O-CB 3.46Å; L331-A335 PolarHBondContact O-N 3.1Å |
| 332 | A | 87 | Confident | 82.9 | Confident | 34 Ų | 34 | 99.2 Ų | 99.2 | 28% | 0.281 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.1 | -31.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S328 V329 Q330 G336 F337 | S328-A332 WeakPolarHBondContact O-CB 3.37Å; S328-A332 PolarHBondContact O-N 2.97Å; V329-A332 CarbonylContact O-C 3.55Å; V329-A332 WeakPolarHBondContact O-CA 3.34Å; V329-A332 WeakPolarHBondContact O-CB 3.37Å; V329-A332 PolarHBondContact O-N 3.33Å; Q330-A332 VanDerWaalsContact C-N 3.34Å; A332-G336 PolarHBondContact O-N 3.01Å; A332-F337 HydrophobicContact CB-CB 4.26Å; A332-F337 WeakPolarHBondContact O-CB 3.38Å; A332-F337 PolarHBondContact O-N 2.93Å |
| 333 | E | 86.2 | Confident | 81.5 | Confident | 84 Ų | 84 | 98.3 Ų | 98.3 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -51.8 | 171.1 | -61.4 | 179.2 | 133.2 | 0 | 0 | 110.5 | V329 Q330 A335 G336 Q338 | V329-E333 HydrophobicContact CG1-CG 4.18Å; V329-E333 WeakPolarHBondContact O-CG 3.49Å; V329-E333 PolarHBondContact O-N 3Å; Q330-E333 PolarHBondContact O-N 3.31Å; E333-A335 VanDerWaalsContact C-N 3.34Å; E333-A335 PolarHBondContact O-N 3.4Å; E333-G336 PolarHBondContact O-N 3.33Å; E333-Q338 PolarHBondContact OE1-NE2 2.71Å |
| 334 | E | 86.1 | Confident | 80.1 | Confident | 168 Ų | 168 | 97.5 Ų | 97.5 | 79% | 0.785 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -36.3 | -179.8 | -173.8 | 172.8 | -160.4 | 0 | 0 | 113 | Q330 G336 | Q330-E334 WeakPolarHBondContact O-CB 3.32Å; Q330-E334 PolarHBondContact O-N 3.47Å; E334-G336 VanDerWaalsContact C-N 3.3Å; E334-G336 PolarHBondContact O-N 3.39Å |
| 335 | A | 83.9 | Confident | 78.7 | Confident | 61 Ų | 61 | 96.7 Ų | 96.7 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 6.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L331 E333 F337 | L331-A335 WeakPolarHBondContact O-CB 3.46Å; L331-A335 PolarHBondContact O-N 3.1Å; E333-A335 VanDerWaalsContact C-N 3.34Å; E333-A335 PolarHBondContact O-N 3.4Å; A335-F337 VanDerWaalsContact C-N 3.34Å; A335-F337 HydrophobicContact CB-CD2 3.66Å; A335-F337 HydrophobicContact CB-CE2 3.57Å; A335-F337 PolarHBondContact O-N 2.95Å |
| 336 | G | 76 | Confident | 77.6 | Confident | 56 Ų | 56 | 96 Ų | 96 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 12.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | A332 E333 E334 Q338 | A332-G336 PolarHBondContact O-N 3.01Å; E333-G336 PolarHBondContact O-N 3.33Å; E334-G336 VanDerWaalsContact C-N 3.3Å; E334-G336 PolarHBondContact O-N 3.39Å; G336-Q338 PolarHBondContact O-N 3.41Å |
| 337 | F | 71.1 | Confident | 76.3 | Confident | 119 Ų | 119 | 95.4 Ų | 95.4 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -76.3 | -4.2 | 179.5 | -64.7 | -60.9 | 0 | 0 | 0 | 114.2 | A332 A335 E339 L340 | A332-F337 HydrophobicContact CB-CB 4.26Å; A332-F337 WeakPolarHBondContact O-CB 3.38Å; A332-F337 PolarHBondContact O-N 2.93Å; A335-F337 VanDerWaalsContact C-N 3.34Å; A335-F337 HydrophobicContact CB-CD2 3.66Å; A335-F337 HydrophobicContact CB-CE2 3.57Å; A335-F337 PolarHBondContact O-N 2.95Å; F337-E339 PolarHBondContact O-N 2.93Å; F337-E339 VanDerWaalsContact O-N 3.17Å; F337-L340 HydrophobicContact CD1-CD1 3.7Å; F337-L340 HydrophobicContact CE1-CD1 4.44Å; F337-L340 PolarHBondContact O-N 3.39Å |
| 338 | Q | 64.3 | Low | 75 | Confident | 140 Ų | 140 | 98.1 Ų | 98.1 | 65% | 0.654 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -62.3 | -22.5 | -172.6 | -168.5 | 160.1 | 32.9 | 0 | 0 | 114.7 | E333 G336 | E333-Q338 PolarHBondContact OE1-NE2 2.71Å; G336-Q338 PolarHBondContact O-N 3.41Å |
| 339 | E | 57.9 | Low | 74.1 | Confident | 188 Ų | 188 | 102 Ų | 102 | 88% | 0.879 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -100.4 | 0.3 | -178.9 | -157.3 | 166.2 | -136.4 | 0 | 0 | 113.8 | F337 S341 | F337-E339 PolarHBondContact O-N 2.93Å; F337-E339 VanDerWaalsContact O-N 3.17Å; E339-S341 PolarHBondContact O-N 2.83Å; E339-S341 VanDerWaalsContact O-N 3.14Å |
| 340 | L | 62.5 | Low | 73.1 | Confident | 78 Ų | 78 | 102.5 Ų | 102.5 | 41% | 0.408 | 55% | 0.554 | S | S | . | * | trans | -71.6 | 110.3 | 178.4 | -68.9 | -170.5 | 0 | 0 | 0 | 111.9 | F337 S342 L345 | F337-L340 HydrophobicContact CD1-CD1 3.7Å; F337-L340 HydrophobicContact CE1-CD1 4.44Å; F337-L340 PolarHBondContact O-N 3.39Å; L340-S342 PolarHBondContact O-N 3.48Å; L340-L345 HydrophobicContact CB-CD1 4.39Å; L340-L345 HydrophobicContact CD1-CD1 4.19Å | ||
| 341 | S | 60.7 | Low | 71.9 | Confident | 68 Ų | 68 | 100.9 Ų | 100.9 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | trans | -55.2 | 135.3 | 174.7 | 77.4 | 0 | 0 | 0 | 0 | 111.6 | E339 N343 L344 L345 | E339-S341 PolarHBondContact O-N 2.83Å; E339-S341 VanDerWaalsContact O-N 3.14Å; S341-N343 PolarHBondContact O-N 3.02Å; S341-L344 PolarHBondContact O-N 3.36Å; S341-L345 PolarHBondContact O-N 3.34Å | ||
| 342 | S | 68.8 | Low | 70.4 | Confident | 78 Ų | 78 | 101.3 Ų | 101.3 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.6 | -19.6 | -172.8 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | L340 K346 | L340-S342 PolarHBondContact O-N 3.48Å; S342-K346 WeakPolarHBondContact O-CB 3.39Å; S342-K346 WeakPolarHBondContact O-CD 3.38Å; S342-K346 WeakPolarHBondContact O-CG 3.21Å; S342-K346 PolarHBondContact O-N 2.89Å; S342-K346 VanDerWaalsContact O-N 3.14Å |
| 343 | N | 67.3 | Low | 69.1 | Low | 104 Ų | 104 | 108 Ų | 108 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.9 | -39.9 | 173.6 | -62.9 | -31.8 | 0 | 0 | 0 | 112.1 | S341 K346 N347 | S341-N343 PolarHBondContact O-N 3.02Å; N343-K346 PolarHBondContact O-N 2.87Å; N343-N347 WeakPolarHBondContact O-CB 3.42Å; N343-N347 PolarHBondContact O-N 3.22Å; N343-N347 PolarHBondContact O-OD1 3.36Å |
| 344 | L | 66.4 | Low | 67.7 | Low | 92 Ų | 92 | 112.9 Ų | 112.9 | 48% | 0.482 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.5 | -40.8 | -179.8 | -156.7 | 160.4 | 0 | 0 | 0 | 110.5 | S341 N347 L348 | S341-L344 PolarHBondContact O-N 3.36Å; L344-N347 PolarHBondContact O-N 2.92Å; L344-L348 HydrophobicContact CD2-CD1 3.98Å; L344-L348 PolarHBondContact O-N 2.97Å |
| 345 | L | 68.5 | Low | 66.2 | Low | 78 Ų | 78 | 114 Ų | 114 | 41% | 0.408 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68 | -38.3 | 175.2 | -153.6 | 156.1 | 0 | 0 | 0 | 111.9 | L340 S341 L348 M349 | L340-L345 HydrophobicContact CB-CD1 4.39Å; L340-L345 HydrophobicContact CD1-CD1 4.19Å; S341-L345 PolarHBondContact O-N 3.34Å; L345-L348 PolarHBondContact O-N 3.45Å; L345-M349 HydrophobicContact CD2-CG 3.99Å; L345-M349 WeakPolarHBondContact O-CB 3.39Å; L345-M349 WeakPolarHBondContact O-CG 3.31Å; L345-M349 PolarHBondContact O-N 3.24Å |
| 346 | K | 70.4 | Confident | 64.2 | Low | 126 Ų | 126 | 115.8 Ų | 115.8 | 55% | 0.548 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.6 | -42.6 | 169.6 | -80.9 | 169.4 | -175.7 | 172.2 | 0 | 112.5 | S342 N343 L348 M349 S350 | S342-K346 WeakPolarHBondContact O-CB 3.39Å; S342-K346 WeakPolarHBondContact O-CD 3.38Å; S342-K346 WeakPolarHBondContact O-CG 3.21Å; S342-K346 PolarHBondContact O-N 2.89Å; S342-K346 VanDerWaalsContact O-N 3.14Å; N343-K346 PolarHBondContact O-N 2.87Å; K346-L348 VanDerWaalsContact C-N 3.34Å; K346-L348 PolarHBondContact O-N 3.33Å; K346-M349 PolarHBondContact O-N 3.06Å; K346-S350 WeakPolarHBondContact O-CB 3.39Å; K346-S350 PolarHBondContact O-N 3.5Å; K346-S350 PolarHBondContact O-OG 2.9Å |
| 347 | N | 69.7 | Low | 62.9 | Low | 116 Ų | 116 | 119 Ų | 119 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.8 | -37.7 | 178.9 | -71.5 | -7.9 | 0 | 0 | 0 | 111.8 | N343 L344 S350 A351 | N343-N347 WeakPolarHBondContact O-CB 3.42Å; N343-N347 PolarHBondContact O-N 3.22Å; N343-N347 PolarHBondContact O-OD1 3.36Å; L344-N347 PolarHBondContact O-N 2.92Å; N347-S350 PolarHBondContact O-N 3.2Å; N347-A351 PolarHBondContact O-N 2.92Å |
| 348 | L | 67.5 | Low | 61.4 | Low | 117 Ų | 117 | 123.4 Ų | 123.4 | 61% | 0.613 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -63.8 | -48.8 | 170.7 | -87.3 | 162.2 | 0 | 0 | 0 | 112.4 | L344 L345 K346 S350 A351 | L344-L348 HydrophobicContact CD2-CD1 3.98Å; L344-L348 PolarHBondContact O-N 2.97Å; L345-L348 PolarHBondContact O-N 3.45Å; K346-L348 VanDerWaalsContact C-N 3.34Å; K346-L348 PolarHBondContact O-N 3.33Å; L348-S350 PolarHBondContact O-N 2.9Å; L348-A351 WeakPolarHBondContact O-CB 3.41Å; L348-A351 PolarHBondContact O-N 3Å |
| 349 | M | 71.4 | Confident | 61.2 | Low | 155 Ų | 155 | 122.6 Ų | 122.6 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -67.9 | -19.6 | 178.9 | -71.4 | -68.4 | -66.3 | 0 | 0 | 113.8 | L345 K346 | L345-M349 HydrophobicContact CD2-CG 3.99Å; L345-M349 WeakPolarHBondContact O-CB 3.39Å; L345-M349 WeakPolarHBondContact O-CG 3.31Å; L345-M349 PolarHBondContact O-N 3.24Å; K346-M349 PolarHBondContact O-N 3.06Å |
| 350 | S | 68.9 | Low | 61.4 | Low | 90 Ų | 90 | 119.2 Ų | 119.2 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -0.7 | 179.4 | -49.3 | 0 | 0 | 0 | 0 | 112.8 | K346 N347 L348 | K346-S350 WeakPolarHBondContact O-CB 3.39Å; K346-S350 PolarHBondContact O-N 3.5Å; K346-S350 PolarHBondContact O-OG 2.9Å; N347-S350 PolarHBondContact O-N 3.2Å; L348-S350 PolarHBondContact O-N 2.9Å |
| 351 | A | 64.9 | Low | 61.3 | Low | 58 Ų | 58 | 121.4 Ų | 121.4 | 48% | 0.479 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -65.7 | 130.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | N347 L348 L353 | N347-A351 PolarHBondContact O-N 2.92Å; L348-A351 WeakPolarHBondContact O-CB 3.41Å; L348-A351 PolarHBondContact O-N 3Å; A351-L353 PolarHBondContact O-N 2.94Å; A351-L353 VanDerWaalsContact O-N 3.1Å |
| 352 | P | 59.6 | Low | 61.4 | Low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -59.7 | 119.1 | 176.3 | -23.8 | 34 | 0 | 0 | 0 | 110.4 | Q354 | P352-Q354 PolarHBondContact O-N 3.05Š| ||
| 353 | L | 59.4 | Low | 60.9 | Low | 173 Ų | 173 | 127.5 Ų | 127.5 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | trans | -59.5 | 110.7 | 172.7 | -160.1 | 80.4 | 0 | 0 | 0 | 107.7 | A351 K355 | A351-L353 PolarHBondContact O-N 2.94Å; A351-L353 VanDerWaalsContact O-N 3.1Å; L353-K355 PolarHBondContact O-N 3.4Å | ||
| 354 | Q | 57.3 | Low | 60.5 | Low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 72% | 0.72 | S | S | * | * | trans | -60.4 | 123.6 | -175.5 | -70.1 | -171.6 | -2.5 | 0 | 0 | 109.3 | P352 A356 | P352-Q354 PolarHBondContact O-N 3.05Å; Q354-A356 PolarHBondContact O-N 3.09Å | ||
| 355 | K | 52.7 | Low | 60.1 | Low | 191 Ų | 191 | 131.7 Ų | 131.7 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | trans | -65.6 | 100.1 | 172 | -79.4 | -173.1 | 174.4 | -177.2 | 0 | 108.8 | L353 T357 | L353-K355 PolarHBondContact O-N 3.4Å; K355-T357 PolarHBondContact O-N 2.98Å; K355-T357 PolarHBondContact O-OG1 3.37Å | ||
| 356 | A | 43.5 | Very low | 59.4 | Low | 98 Ų | 98 | 135.8 Ų | 135.8 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -51.5 | 116 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q354 | Q354-A356 PolarHBondContact O-N 3.09Š| ||
| 357 | T | 48.9 | Very low | 58.5 | Low | 124 Ų | 124 | 136.7 Ų | 136.7 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -117.7 | 69.8 | -177.2 | -56.1 | 0 | 0 | 0 | 0 | 108.5 | K355 | K355-T357 PolarHBondContact O-N 2.98Å; K355-T357 PolarHBondContact O-OG1 3.37Å | ||
| 358 | T | 38.3 | Very low | 57.5 | Low | 212 Ų | 212 | 138.5 Ų | 138.5 | 100% | 1.301 | 79% | 0.794 | S | S | * | * | trans | 174.4 | 0 | 155 | 40.5 | 0 | 0 | 0 | 0 | 107.5 |
Retrieved 358 of 358 residues in 615.4 ms
(Link to these results)