| 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 | 47.4 | Very low | 81.9 | Confident | 232 Ų | 232 | 131.6 Ų | 131.6 | 100% | 1.143 | 66% | 0.655 | S | S | * | * | 0 | 96.3 | 0 | -73 | -145.2 | -89.4 | 0 | 0 | 107 | R3 | M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | D | 57.8 | Low | 83.2 | Confident | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | trans | -60.1 | 110.4 | -175.6 | -57.2 | -65.5 | 0 | 0 | 0 | 109.4 | N4 I5 | D2-N4 VanDerWaalsContact C-N 3.28Å; D2-N4 PolarHBondContact O-N 3.35Å; D2-I5 HydrophobicContact CB-CD1 4.35Å | ||
| 3 | R | 64.1 | Low | 84.3 | Confident | 233 Ų | 233 | 126.9 Ų | 126.9 | 88% | 0.879 | 64% | 0.641 | S | S | * | * | trans | -67.5 | 95.5 | 172.9 | -74.6 | -178.6 | 173.1 | 178.5 | -2.1 | 107.5 | M1 I5 | M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-I5 PolarHBondContact O-N 2.96Å; R3-I5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | N | 75.9 | Confident | 85.3 | Confident | 86 Ų | 86 | 124.8 Ų | 124.8 | 46% | 0.46 | 63% | 0.627 | S | S | . | * | trans | 43.4 | 61.2 | 143.6 | -156.3 | -15.9 | 0 | 0 | 0 | 115.8 | D2 G6 D7 Q8 | D2-N4 VanDerWaalsContact C-N 3.28Å; D2-N4 PolarHBondContact O-N 3.35Å; N4-G6 PolarHBondContact O-N 3.31Å; N4-D7 HydrophobicContact CB-CB 4.3Å; N4-D7 VanDerWaalsContact CG-CB 3.44Å; N4-D7 PolarHBondContact ND2-OD1 2.9Å; N4-D7 PolarHBondContact ND2-OD2 2.86Å; N4-D7 PolarHBondContact O-N 2.95Å; N4-D7 VanDerWaalsContact OD1-CB 3.32Å; N4-D7 WeakPolarHBondContact OD1-CB 3.13Å; N4-D7 PolarHBondContact OD1-N 3.49Å; N4-D7 PolarHBondContact OD1-OD1 3.07Å; N4-Q8 PolarHBondContact O-N 3Å | ||
| 5 | I | 88.3 | Confident | 86.1 | Confident | 105 Ų | 105 | 120 Ų | 120 | 54% | 0.538 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -58.1 | -31.4 | 175.6 | -66.6 | 144.3 | 0 | 0 | 0 | 111 | D2 R3 Q8 L9 | D2-I5 HydrophobicContact CB-CD1 4.35Å; R3-I5 PolarHBondContact O-N 2.96Å; R3-I5 VanDerWaalsContact O-N 3.15Å; I5-Q8 PolarHBondContact O-N 2.94Å; I5-L9 HydrophobicContact CG2-CD1 4.04Å; I5-L9 HydrophobicContact CG2-CG 4.45Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.09Å |
| 6 | G | 92.2 | Very high | 86.9 | Confident | 45 Ų | 45 | 123.1 Ų | 123.1 | 46% | 0.464 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.2 | -49.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | N4 Q8 L9 N10 | N4-G6 PolarHBondContact O-N 3.31Å; G6-Q8 VanDerWaalsContact C-N 3.31Å; G6-Q8 PolarHBondContact O-N 2.94Å; G6-L9 PolarHBondContact O-N 3.42Å; G6-N10 WeakPolarHBondContact O-CB 3.44Å; G6-N10 PolarHBondContact O-N 2.95Å |
| 7 | D | 93.6 | Very high | 87.5 | Confident | 105 Ų | 105 | 125.1 Ų | 125.1 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66 | -35.1 | 177.9 | -76.5 | 8 | 0 | 0 | 0 | 112.1 | N4 N10 K11 | N4-D7 HydrophobicContact CB-CB 4.3Å; N4-D7 VanDerWaalsContact CG-CB 3.44Å; N4-D7 PolarHBondContact ND2-OD1 2.9Å; N4-D7 PolarHBondContact ND2-OD2 2.86Å; N4-D7 PolarHBondContact O-N 2.95Å; N4-D7 VanDerWaalsContact OD1-CB 3.32Å; N4-D7 WeakPolarHBondContact OD1-CB 3.13Å; N4-D7 PolarHBondContact OD1-N 3.49Å; N4-D7 PolarHBondContact OD1-OD1 3.07Å; D7-N10 PolarHBondContact O-N 3.45Å; D7-K11 VanDerWaalsContact O-CB 3.25Å; D7-K11 WeakPolarHBondContact O-CB 3.43Å; D7-K11 PolarHBondContact O-N 2.85Å |
| 8 | Q | 94.1 | Very high | 88.2 | Confident | 139 Ų | 139 | 123.6 Ų | 123.6 | 65% | 0.65 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.4 | -43.2 | 175.6 | -172 | 173.9 | 12.1 | 0 | 0 | 111.3 | N4 I5 G6 A12 | N4-Q8 PolarHBondContact O-N 3Å; I5-Q8 PolarHBondContact O-N 2.94Å; G6-Q8 VanDerWaalsContact C-N 3.31Å; G6-Q8 PolarHBondContact O-N 2.94Å; Q8-A12 WeakPolarHBondContact O-CB 3.33Å; Q8-A12 PolarHBondContact O-N 2.85Å |
| 9 | L | 95.3 | Very high | 88.7 | Confident | 96 Ų | 96 | 121.7 Ų | 121.7 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.7 | -48 | 174.8 | -72.9 | 169.6 | 0 | 0 | 0 | 110.9 | I5 G6 K11 A12 F13 | I5-L9 HydrophobicContact CG2-CD1 4.04Å; I5-L9 HydrophobicContact CG2-CG 4.45Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.09Å; G6-L9 PolarHBondContact O-N 3.42Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.92Å; L9-A12 WeakPolarHBondContact O-CB 3.36Å; L9-A12 PolarHBondContact O-N 2.95Å; L9-A12 VanDerWaalsContact O-N 3.09Å; L9-F13 HydrophobicContact CB-CE2 4.44Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 3.38Å |
| 10 | N | 96 | Very high | 89.2 | Confident | 98 Ų | 98 | 117.4 Ų | 117.4 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.7 | -42.2 | 179.2 | -164.3 | 62.7 | 0 | 0 | 0 | 111.8 | G6 D7 A12 F13 E14 | G6-N10 WeakPolarHBondContact O-CB 3.44Å; G6-N10 PolarHBondContact O-N 2.95Å; D7-N10 PolarHBondContact O-N 3.45Å; N10-A12 PolarHBondContact O-N 2.91Å; N10-F13 PolarHBondContact O-N 3.28Å; N10-E14 PolarHBondContact O-N 3.48Å |
| 11 | K | 96.6 | Very high | 89.6 | Confident | 165 Ų | 165 | 115 Ų | 115 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.5 | -40.6 | 174.6 | -175.2 | 176.4 | -178.4 | 178.1 | 0 | 112.3 | D7 L9 A15 | D7-K11 VanDerWaalsContact O-CB 3.25Å; D7-K11 WeakPolarHBondContact O-CB 3.43Å; D7-K11 PolarHBondContact O-N 2.85Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.92Å; K11-A15 WeakPolarHBondContact O-CB 3.33Å; K11-A15 PolarHBondContact O-N 3.33Å |
| 12 | A | 96.9 | Very high | 92 | Very high | 60 Ų | 60 | 108.9 Ų | 108.9 | 50% | 0.496 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q8 L9 N10 A15 Y16 | Q8-A12 WeakPolarHBondContact O-CB 3.33Å; Q8-A12 PolarHBondContact O-N 2.85Å; L9-A12 WeakPolarHBondContact O-CB 3.36Å; L9-A12 PolarHBondContact O-N 2.95Å; L9-A12 VanDerWaalsContact O-N 3.09Å; N10-A12 PolarHBondContact O-N 2.91Å; A12-A15 PolarHBondContact O-N 2.97Å; A12-Y16 WeakPolarHBondContact O-CB 3.47Å; A12-Y16 PolarHBondContact O-N 3.49Å |
| 13 | F | 97.8 | Very high | 94 | Very high | 142 Ų | 142 | 107.8 Ų | 107.8 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -45.4 | 175.2 | -80.9 | -67.6 | 0 | 0 | 0 | 112.4 | L9 N10 Y16 R17 | L9-F13 HydrophobicContact CB-CE2 4.44Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 3.38Å; N10-F13 PolarHBondContact O-N 3.28Å; F13-Y16 PolarHBondContact O-N 3.04Å; F13-R17 PolarHBondContact O-N 2.88Å |
| 14 | E | 97.8 | Very high | 95.6 | Very high | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 177.1 | -70.1 | -62 | 168.3 | 0 | 0 | 112.2 | N10 Y16 R17 Q18 | N10-E14 PolarHBondContact O-N 3.48Å; E14-Y16 VanDerWaalsContact C-N 3.35Å; E14-Y16 PolarHBondContact O-N 3.42Å; E14-R17 PolarHBondContact O-N 3.38Å; E14-R17 IonicContact OE2-NH1 3.99Å; E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 2.91Å |
| 15 | A | 98 | Very high | 96.7 | Very high | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K11 A12 R17 Q18 V19 | K11-A15 WeakPolarHBondContact O-CB 3.33Å; K11-A15 PolarHBondContact O-N 3.33Å; A12-A15 PolarHBondContact O-N 2.97Å; A15-R17 PolarHBondContact O-N 3.4Å; A15-Q18 PolarHBondContact O-N 2.96Å; A15-V19 WeakPolarHBondContact O-CG2 3.39Å; A15-V19 PolarHBondContact O-N 3.36Å |
| 16 | Y | 98.2 | Very high | 97.2 | Very high | 170 Ų | 170 | 98 Ų | 98 | 67% | 0.667 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 175.5 | 173.7 | -96 | 0 | 0 | 0 | 112 | A12 F13 E14 Q18 V19 S20 | A12-Y16 WeakPolarHBondContact O-CB 3.47Å; A12-Y16 PolarHBondContact O-N 3.49Å; F13-Y16 PolarHBondContact O-N 3.04Å; E14-Y16 VanDerWaalsContact C-N 3.35Å; E14-Y16 PolarHBondContact O-N 3.42Å; Y16-Q18 VanDerWaalsContact C-N 3.34Å; Y16-Q18 PolarHBondContact O-N 3Å; Y16-V19 PolarHBondContact O-N 3Å; Y16-S20 WeakPolarHBondContact O-CB 3.45Å; Y16-S20 PolarHBondContact O-N 2.91Å; Y16-S20 PolarHBondContact O-OG 3.22Å |
| 17 | R | 98.5 | Very high | 97.5 | Very high | 157 Ų | 157 | 101.5 Ų | 101.5 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -44.4 | 177.2 | -175.3 | 178.3 | 177.8 | -117.1 | -3 | 111.4 | F13 E14 A15 S20 I21 | F13-R17 PolarHBondContact O-N 2.88Å; E14-R17 PolarHBondContact O-N 3.38Å; E14-R17 IonicContact OE2-NH1 3.99Å; A15-R17 PolarHBondContact O-N 3.4Å; R17-S20 WeakPolarHBondContact O-CB 3.12Å; R17-S20 PolarHBondContact O-N 3.35Å; R17-I21 HydrophobicContact CG-CD1 4.32Å; R17-I21 WeakPolarHBondContact O-CG1 3.38Å; R17-I21 PolarHBondContact O-N 3.33Å; R17-I21 VanDerWaalsContact O-N 3.09Å |
| 18 | Q | 98.4 | Very high | 97.7 | Very high | 97 Ų | 97 | 102.7 Ų | 102.7 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -49.7 | 178.6 | -176.5 | 58.9 | 29 | 0 | 0 | 111.9 | E14 A15 Y16 S20 I21 E22 | E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 2.91Å; A15-Q18 PolarHBondContact O-N 2.96Å; Y16-Q18 VanDerWaalsContact C-N 3.34Å; Y16-Q18 PolarHBondContact O-N 3Å; Q18-S20 PolarHBondContact O-N 2.96Å; Q18-I21 PolarHBondContact O-N 2.91Å; Q18-I21 VanDerWaalsContact O-N 3.12Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.18Å; Q18-E22 PolarHBondContact NE2-OE1 3.2Å; Q18-E22 PolarHBondContact O-N 3.01Å |
| 19 | V | 98.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 101.3 Ų | 101.3 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | A15 Y16 E22 K23 | A15-V19 WeakPolarHBondContact O-CG2 3.39Å; A15-V19 PolarHBondContact O-N 3.36Å; Y16-V19 PolarHBondContact O-N 3Å; V19-E22 PolarHBondContact O-N 3.3Å; V19-K23 VanDerWaalsContact O-CB 3.32Å; V19-K23 WeakPolarHBondContact O-CB 3.48Å; V19-K23 PolarHBondContact O-N 2.94Å |
| 20 | S | 98.3 | Very high | 98.1 | Very high | 35 Ų | 35 | 102.4 Ų | 102.4 | 25% | 0.245 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 112 | Y16 R17 Q18 K23 D24 | Y16-S20 WeakPolarHBondContact O-CB 3.45Å; Y16-S20 PolarHBondContact O-N 2.91Å; Y16-S20 PolarHBondContact O-OG 3.22Å; R17-S20 WeakPolarHBondContact O-CB 3.12Å; R17-S20 PolarHBondContact O-N 3.35Å; Q18-S20 PolarHBondContact O-N 2.96Å; S20-K23 PolarHBondContact O-N 3.24Å; S20-D24 PolarHBondContact O-N 3.48Å |
| 21 | I | 98.5 | Very high | 98.2 | Very high | 69 Ų | 69 | 101.7 Ų | 101.7 | 35% | 0.354 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 176.1 | -66.6 | 164.7 | 0 | 0 | 0 | 110.7 | R17 Q18 K23 D24 N25 | R17-I21 HydrophobicContact CG-CD1 4.32Å; R17-I21 WeakPolarHBondContact O-CG1 3.38Å; R17-I21 PolarHBondContact O-N 3.33Å; R17-I21 VanDerWaalsContact O-N 3.09Å; Q18-I21 PolarHBondContact O-N 2.91Å; Q18-I21 VanDerWaalsContact O-N 3.12Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 2.86Å; I21-D24 PolarHBondContact O-N 2.95Å; I21-N25 WeakPolarHBondContact O-CB 3.38Å; I21-N25 VanDerWaalsContact O-CG 3.3Å; I21-N25 PolarHBondContact O-N 3.29Å; I21-N25 PolarHBondContact O-ND2 3.12Å |
| 22 | E | 98.4 | Very high | 98.3 | Very high | 102 Ų | 102 | 99.5 Ų | 99.5 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.9 | -73.7 | 171.2 | -165.3 | 0 | 0 | 111.9 | Q18 V19 D24 N25 A26 | Q18-E22 WeakPolarHBondContact CG-OE1 3.18Å; Q18-E22 PolarHBondContact NE2-OE1 3.2Å; Q18-E22 PolarHBondContact O-N 3.01Å; V19-E22 PolarHBondContact O-N 3.3Å; E22-D24 PolarHBondContact O-N 2.9Å; E22-N25 PolarHBondContact O-N 3.12Å; E22-A26 WeakPolarHBondContact O-CB 3.34Å; E22-A26 PolarHBondContact O-N 3.43Å |
| 23 | K | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 101.4 Ų | 101.4 | 53% | 0.526 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.6 | -172.5 | -143 | 63.5 | 153 | 0 | 111.2 | V19 S20 I21 N25 A26 Q27 | V19-K23 VanDerWaalsContact O-CB 3.32Å; V19-K23 WeakPolarHBondContact O-CB 3.48Å; V19-K23 PolarHBondContact O-N 2.94Å; S20-K23 PolarHBondContact O-N 3.24Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 2.86Å; K23-N25 VanDerWaalsContact C-N 3.35Å; K23-A26 PolarHBondContact O-N 3.3Å; K23-Q27 WeakPolarHBondContact O-CB 3.49Å; K23-Q27 PolarHBondContact O-N 3.36Å |
| 24 | D | 98.6 | Very high | 98.4 | Very high | 74 Ų | 74 | 100.2 Ų | 100.2 | 40% | 0.396 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | 178.9 | -70.7 | -10.2 | 0 | 0 | 0 | 111.9 | S20 I21 E22 Q27 K28 | S20-D24 PolarHBondContact O-N 3.48Å; I21-D24 PolarHBondContact O-N 2.95Å; E22-D24 PolarHBondContact O-N 2.9Å; D24-Q27 PolarHBondContact O-N 3.3Å; D24-K28 WeakPolarHBondContact O-CG 3.47Å; D24-K28 PolarHBondContact O-N 3.22Å |
| 25 | N | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 99.8 Ų | 99.8 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 174.1 | -72.6 | -20 | 0 | 0 | 0 | 111.7 | I21 E22 K23 Q27 K28 E29 | I21-N25 WeakPolarHBondContact O-CB 3.38Å; I21-N25 VanDerWaalsContact O-CG 3.3Å; I21-N25 PolarHBondContact O-N 3.29Å; I21-N25 PolarHBondContact O-ND2 3.12Å; E22-N25 PolarHBondContact O-N 3.12Å; K23-N25 VanDerWaalsContact C-N 3.35Å; N25-Q27 PolarHBondContact O-N 3.07Å; N25-K28 WeakPolarHBondContact O-CB 3.4Å; N25-K28 PolarHBondContact O-N 3Å; N25-K28 VanDerWaalsContact O-N 3.11Å; N25-E29 PolarHBondContact O-N 3.48Å |
| 26 | A | 98.5 | Very high | 98.5 | Very high | 63 Ų | 63 | 102.1 Ų | 102.1 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E22 K23 E29 L30 | E22-A26 WeakPolarHBondContact O-CB 3.34Å; E22-A26 PolarHBondContact O-N 3.43Å; K23-A26 PolarHBondContact O-N 3.3Å; A26-E29 PolarHBondContact O-N 3.19Å; A26-L30 WeakPolarHBondContact O-CB 3.23Å; A26-L30 PolarHBondContact O-N 3.11Å |
| 27 | Q | 98.4 | Very high | 98.5 | Very high | 119 Ų | 119 | 100.4 Ų | 100.4 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 175.5 | -172.5 | 175.3 | -11.4 | 0 | 0 | 112.2 | K23 D24 N25 Q31 | K23-Q27 WeakPolarHBondContact O-CB 3.49Å; K23-Q27 PolarHBondContact O-N 3.36Å; D24-Q27 PolarHBondContact O-N 3.3Å; N25-Q27 PolarHBondContact O-N 3.07Å; Q27-Q31 WeakPolarHBondContact O-CB 3.24Å; Q27-Q31 PolarHBondContact O-N 3.37Å |
| 28 | K | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 97.6 Ų | 97.6 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 175.2 | -73.6 | 171.6 | -176.1 | 171.3 | 0 | 112.3 | D24 N25 Q31 K32 | D24-K28 WeakPolarHBondContact O-CG 3.47Å; D24-K28 PolarHBondContact O-N 3.22Å; N25-K28 WeakPolarHBondContact O-CB 3.4Å; N25-K28 PolarHBondContact O-N 3Å; N25-K28 VanDerWaalsContact O-N 3.11Å; K28-Q31 PolarHBondContact O-N 2.83Å; K28-K32 WeakPolarHBondContact O-CG 3.49Å; K28-K32 PolarHBondContact O-N 2.99Å |
| 29 | E | 98.4 | Very high | 98.6 | Very high | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 178 | -68.4 | -52.6 | 128.7 | 0 | 0 | 111.8 | N25 A26 Q31 K32 M33 | N25-E29 PolarHBondContact O-N 3.48Å; A26-E29 PolarHBondContact O-N 3.19Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.48Å; E29-K32 PolarHBondContact O-N 3.48Å; E29-K32 IonicContact OE1-NZ 3.93Å; E29-K32 PolarHBondContact OE1-NZ 3.44Å; E29-K32 IonicContact OE2-NZ 2.75Å; E29-M33 WeakPolarHBondContact O-CB 3.05Å; E29-M33 PolarHBondContact O-N 3.16Å |
| 30 | L | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 101.6 Ų | 101.6 | 62% | 0.623 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 172.4 | -174.1 | 152.6 | 0 | 0 | 0 | 111.3 | A26 M33 K34 | A26-L30 WeakPolarHBondContact O-CB 3.23Å; A26-L30 PolarHBondContact O-N 3.11Å; L30-M33 PolarHBondContact O-N 3.01Å; L30-K34 WeakPolarHBondContact O-CB 3.43Å; L30-K34 PolarHBondContact O-N 2.91Å |
| 31 | Q | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 103.4 Ų | 103.4 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 178.6 | -177.7 | 60.6 | 27.2 | 0 | 0 | 111.9 | Q27 K28 E29 M33 K34 E35 | Q27-Q31 WeakPolarHBondContact O-CB 3.24Å; Q27-Q31 PolarHBondContact O-N 3.37Å; K28-Q31 PolarHBondContact O-N 2.83Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.48Å; Q31-M33 VanDerWaalsContact C-N 3.34Å; Q31-M33 PolarHBondContact O-N 3.31Å; Q31-K34 WeakPolarHBondContact O-CB 3.34Å; Q31-K34 PolarHBondContact O-N 3.33Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.35Å; Q31-E35 PolarHBondContact NE2-OE1 3.42Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.16Å |
| 32 | K | 98.7 | Very high | 98.6 | Very high | 118 Ų | 118 | 105.6 Ų | 105.6 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 174.4 | -72 | 175.6 | -175.4 | 167.6 | 0 | 111.9 | K28 E29 K34 E35 H36 | K28-K32 WeakPolarHBondContact O-CG 3.49Å; K28-K32 PolarHBondContact O-N 2.99Å; E29-K32 PolarHBondContact O-N 3.48Å; E29-K32 IonicContact OE1-NZ 3.93Å; E29-K32 PolarHBondContact OE1-NZ 3.44Å; E29-K32 IonicContact OE2-NZ 2.75Å; K32-K34 VanDerWaalsContact C-N 3.31Å; K32-K34 PolarHBondContact O-N 3.35Å; K32-E35 PolarHBondContact O-N 3.46Å; K32-H36 WeakPolarHBondContact O-CB 3.13Å; K32-H36 PolarHBondContact O-N 2.87Å |
| 33 | M | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 105.2 Ų | 105.2 | 49% | 0.493 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 179.2 | -172.6 | 63.1 | 80.2 | 0 | 0 | 111.2 | E29 L30 Q31 H36 Y37 | E29-M33 WeakPolarHBondContact O-CB 3.05Å; E29-M33 PolarHBondContact O-N 3.16Å; L30-M33 PolarHBondContact O-N 3.01Å; Q31-M33 VanDerWaalsContact C-N 3.34Å; Q31-M33 PolarHBondContact O-N 3.31Å; M33-H36 PolarHBondContact O-N 3.07Å; M33-Y37 HydrophobicContact CG-CD2 3.76Å; M33-Y37 HydrophobicContact CG-CE2 3.52Å; M33-Y37 WeakPolarHBondContact O-CD2 3.36Å; M33-Y37 PolarHBondContact O-N 3.31Å; M33-Y37 HydrophobicContact SD-CD2 3.84Å; M33-Y37 HydrophobicContact SD-CE2 3.24Å; M33-Y37 WeakPolarHBondContact SD-CE2 3.23Å |
| 34 | K | 98.7 | Very high | 98.6 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -50 | 174.7 | -177.8 | -171.9 | 172.8 | -170.2 | 0 | 111.3 | L30 Q31 K32 H36 Y37 E38 | L30-K34 WeakPolarHBondContact O-CB 3.43Å; L30-K34 PolarHBondContact O-N 2.91Å; Q31-K34 WeakPolarHBondContact O-CB 3.34Å; Q31-K34 PolarHBondContact O-N 3.33Å; K32-K34 VanDerWaalsContact C-N 3.31Å; K32-K34 PolarHBondContact O-N 3.35Å; K34-H36 VanDerWaalsContact C-N 3.33Å; K34-H36 PolarHBondContact O-N 3.01Å; K34-Y37 PolarHBondContact O-N 3.5Å; K34-E38 WeakPolarHBondContact O-CB 3.47Å; K34-E38 PolarHBondContact O-N 3.24Å |
| 35 | E | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 103.5 Ų | 103.5 | 41% | 0.407 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 179.2 | -72.6 | 167.9 | -166.8 | 0 | 0 | 111.8 | Q31 K32 E38 Q39 | Q31-E35 WeakPolarHBondContact CG-OE1 3.35Å; Q31-E35 PolarHBondContact NE2-OE1 3.42Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.16Å; K32-E35 PolarHBondContact O-N 3.46Å; E35-E38 PolarHBondContact O-N 2.8Å; E35-Q39 WeakPolarHBondContact O-CG 3.18Å; E35-Q39 PolarHBondContact O-N 3.17Å |
| 36 | H | 98.7 | Very high | 98.6 | Very high | 103 Ų | 103 | 104.8 Ų | 104.8 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 175.9 | 172.4 | -91 | 0 | 0 | 0 | 112 | K32 M33 K34 E38 Q39 Y40 | K32-H36 WeakPolarHBondContact O-CB 3.13Å; K32-H36 PolarHBondContact O-N 2.87Å; M33-H36 PolarHBondContact O-N 3.07Å; K34-H36 VanDerWaalsContact C-N 3.33Å; K34-H36 PolarHBondContact O-N 3.01Å; H36-E38 VanDerWaalsContact C-N 3.33Å; H36-E38 PolarHBondContact O-N 3.5Å; H36-Q39 PolarHBondContact O-N 3.44Å; H36-Y40 WeakPolarHBondContact O-CB 3.31Å; H36-Y40 PolarHBondContact O-N 3.22Å |
| 37 | Y | 98.7 | Very high | 98.7 | Very high | 133 Ų | 133 | 106.1 Ų | 106.1 | 52% | 0.522 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -31.3 | 179.8 | -76.1 | -58.6 | 0 | 0 | 0 | 113.1 | M33 K34 Y40 T41 | M33-Y37 HydrophobicContact CG-CD2 3.76Å; M33-Y37 HydrophobicContact CG-CE2 3.52Å; M33-Y37 WeakPolarHBondContact O-CD2 3.36Å; M33-Y37 PolarHBondContact O-N 3.31Å; M33-Y37 HydrophobicContact SD-CD2 3.84Å; M33-Y37 HydrophobicContact SD-CE2 3.24Å; M33-Y37 WeakPolarHBondContact SD-CE2 3.23Å; K34-Y37 PolarHBondContact O-N 3.5Å; Y37-Y40 PolarHBondContact O-N 3.29Å; Y37-T41 WeakPolarHBondContact O-CB 3.37Å; Y37-T41 PolarHBondContact O-N 2.98Å; Y37-T41 PolarHBondContact O-OG1 2.94Å |
| 38 | E | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 104 Ų | 104 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 173.9 | -174.8 | 166.6 | -170.4 | 0 | 0 | 110.9 | K34 E35 H36 T41 Q42 | K34-E38 WeakPolarHBondContact O-CB 3.47Å; K34-E38 PolarHBondContact O-N 3.24Å; E35-E38 PolarHBondContact O-N 2.8Å; H36-E38 VanDerWaalsContact C-N 3.33Å; H36-E38 PolarHBondContact O-N 3.5Å; E38-T41 PolarHBondContact O-N 3.49Å; E38-Q42 VanDerWaalsContact O-CG 3.31Å; E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 3.13Å |
| 39 | Q | 98.8 | Very high | 98.7 | Very high | 130 Ų | 130 | 102.9 Ų | 102.9 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 174.5 | -70.1 | 173.1 | 8.9 | 0 | 0 | 112.1 | E35 H36 T41 Q42 E43 | E35-Q39 WeakPolarHBondContact O-CG 3.18Å; E35-Q39 PolarHBondContact O-N 3.17Å; H36-Q39 PolarHBondContact O-N 3.44Å; Q39-T41 VanDerWaalsContact C-N 3.29Å; Q39-T41 PolarHBondContact O-N 3.33Å; Q39-Q42 PolarHBondContact O-N 2.96Å; Q39-E43 PolarHBondContact O-N 2.86Å |
| 40 | Y | 98.8 | Very high | 98.7 | Very high | 139 Ų | 139 | 101.1 Ų | 101.1 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 177.9 | 179.1 | -103.5 | 0 | 0 | 0 | 112.1 | H36 Y37 E43 L44 | H36-Y40 WeakPolarHBondContact O-CB 3.31Å; H36-Y40 PolarHBondContact O-N 3.22Å; Y37-Y40 PolarHBondContact O-N 3.29Å; Y40-E43 PolarHBondContact O-N 3.39Å; Y40-L44 PolarHBondContact O-N 3.16Å |
| 41 | T | 98.6 | Very high | 98.7 | Very high | 72 Ų | 72 | 101.3 Ų | 101.3 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 178.3 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | Y37 E38 Q39 L44 I45 | Y37-T41 WeakPolarHBondContact O-CB 3.37Å; Y37-T41 PolarHBondContact O-N 2.98Å; Y37-T41 PolarHBondContact O-OG1 2.94Å; E38-T41 PolarHBondContact O-N 3.49Å; Q39-T41 VanDerWaalsContact C-N 3.29Å; Q39-T41 PolarHBondContact O-N 3.33Å; T41-L44 PolarHBondContact O-N 3.3Å; T41-I45 HydrophobicContact CG2-CD1 3.96Å; T41-I45 VanDerWaalsContact O-CG1 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.29Å; T41-I45 PolarHBondContact O-N 2.83Å |
| 42 | Q | 98.8 | Very high | 98.7 | Very high | 115 Ų | 115 | 102.9 Ų | 102.9 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.5 | -72.8 | 174.4 | 8.8 | 0 | 0 | 112.1 | E38 Q39 I45 K46 | E38-Q42 VanDerWaalsContact O-CG 3.31Å; E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 3.13Å; Q39-Q42 PolarHBondContact O-N 2.96Å; Q42-I45 PolarHBondContact O-N 3.35Å; Q42-K46 PolarHBondContact O-N 2.86Å |
| 43 | E | 98.8 | Very high | 98.7 | Very high | 94 Ų | 94 | 104.5 Ų | 104.5 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.1 | -176.5 | 59.2 | -150.3 | 0 | 0 | 111.3 | Q39 Y40 I45 K46 Q47 | Q39-E43 PolarHBondContact O-N 2.86Å; Y40-E43 PolarHBondContact O-N 3.39Å; E43-I45 PolarHBondContact O-N 3.21Å; E43-K46 PolarHBondContact O-N 3.48Å; E43-Q47 WeakPolarHBondContact O-CG 3.34Å; E43-Q47 PolarHBondContact O-N 3.43Å; E43-Q47 PolarHBondContact OE1-NE2 2.87Å |
| 44 | L | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 104.6 Ų | 104.6 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.4 | -171.8 | 65.3 | 0 | 0 | 0 | 112 | Y40 T41 K46 Q47 I48 | Y40-L44 PolarHBondContact O-N 3.16Å; T41-L44 PolarHBondContact O-N 3.3Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-Q47 PolarHBondContact O-N 3.45Å; L44-I48 HydrophobicContact CG-CD1 4.27Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.48Å; L44-I48 PolarHBondContact O-N 3.09Å |
| 45 | I | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 103.3 Ų | 103.3 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 174.5 | -72.8 | 164.9 | 0 | 0 | 0 | 110.1 | T41 Q42 E43 Q47 I48 E49 | T41-I45 HydrophobicContact CG2-CD1 3.96Å; T41-I45 VanDerWaalsContact O-CG1 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.29Å; T41-I45 PolarHBondContact O-N 2.83Å; Q42-I45 PolarHBondContact O-N 3.35Å; E43-I45 PolarHBondContact O-N 3.21Å; I45-Q47 VanDerWaalsContact C-N 3.33Å; I45-Q47 PolarHBondContact O-N 3.21Å; I45-I48 WeakPolarHBondContact O-CB 3.36Å; I45-I48 PolarHBondContact O-N 2.82Å; I45-I48 VanDerWaalsContact O-N 3.12Å; I45-E49 HydrophobicContact CG2-CG 4.47Å; I45-E49 WeakPolarHBondContact O-CG 3.33Å; I45-E49 PolarHBondContact O-N 2.91Å |
| 46 | K | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 102.1 Ų | 102.1 | 47% | 0.474 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.6 | -174.5 | -174.4 | 171.3 | -166.1 | 0 | 112 | Q42 E43 L44 I48 E49 D50 | Q42-K46 PolarHBondContact O-N 2.86Å; E43-K46 PolarHBondContact O-N 3.48Å; L44-K46 VanDerWaalsContact C-N 3.34Å; K46-I48 VanDerWaalsContact C-N 3.31Å; K46-I48 PolarHBondContact O-N 3.42Å; K46-E49 PolarHBondContact O-N 2.95Å; K46-D50 WeakPolarHBondContact O-CB 3.48Å; K46-D50 PolarHBondContact O-N 3.14Å |
| 47 | Q | 98.6 | Very high | 98.5 | Very high | 91 Ų | 91 | 101.3 Ų | 101.3 | 43% | 0.425 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.3 | -72.9 | 178 | 5.6 | 0 | 0 | 112.2 | E43 L44 I45 D50 Q51 | E43-Q47 WeakPolarHBondContact O-CG 3.34Å; E43-Q47 PolarHBondContact O-N 3.43Å; E43-Q47 PolarHBondContact OE1-NE2 2.87Å; L44-Q47 PolarHBondContact O-N 3.45Å; I45-Q47 VanDerWaalsContact C-N 3.33Å; I45-Q47 PolarHBondContact O-N 3.21Å; Q47-D50 PolarHBondContact O-N 2.83Å; Q47-Q51 WeakPolarHBondContact O-CB 3.31Å; Q47-Q51 VanDerWaalsContact O-CG 3.29Å; Q47-Q51 WeakPolarHBondContact O-CG 3.4Å; Q47-Q51 PolarHBondContact O-N 2.81Å |
| 48 | I | 98.6 | Very high | 98.5 | Very high | 75 Ų | 75 | 99 Ų | 99 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 176 | -69.4 | 165.3 | 0 | 0 | 0 | 110.4 | L44 I45 K46 Q51 Q52 | L44-I48 HydrophobicContact CG-CD1 4.27Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.48Å; L44-I48 PolarHBondContact O-N 3.09Å; I45-I48 WeakPolarHBondContact O-CB 3.36Å; I45-I48 PolarHBondContact O-N 2.82Å; I45-I48 VanDerWaalsContact O-N 3.12Å; K46-I48 VanDerWaalsContact C-N 3.31Å; K46-I48 PolarHBondContact O-N 3.42Å; I48-Q51 PolarHBondContact O-N 3.05Å; I48-Q52 HydrophobicContact CG2-CG 4.37Å; I48-Q52 WeakPolarHBondContact O-CB 3.47Å; I48-Q52 VanDerWaalsContact O-CG 3.23Å; I48-Q52 WeakPolarHBondContact O-CG 3.38Å; I48-Q52 PolarHBondContact O-N 3.45Å |
| 49 | E | 98.7 | Very high | 98.3 | Very high | 104 Ų | 104 | 99.8 Ų | 99.8 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 178 | -71.1 | 176.4 | -179.8 | 0 | 0 | 112.1 | I45 K46 Q52 R53 | I45-E49 HydrophobicContact CG2-CG 4.47Å; I45-E49 WeakPolarHBondContact O-CG 3.33Å; I45-E49 PolarHBondContact O-N 2.91Å; K46-E49 PolarHBondContact O-N 2.95Å; E49-Q52 PolarHBondContact O-N 3.16Å; E49-R53 PolarHBondContact O-N 3.23Å |
| 50 | D | 98.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 97.8 Ų | 97.8 | 40% | 0.401 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.6 | -73.8 | -22.4 | 0 | 0 | 0 | 111.1 | K46 Q47 R53 L54 | K46-D50 WeakPolarHBondContact O-CB 3.48Å; K46-D50 PolarHBondContact O-N 3.14Å; Q47-D50 PolarHBondContact O-N 2.83Å; D50-R53 PolarHBondContact O-N 2.8Å; D50-L54 PolarHBondContact O-N 2.97Å |
| 51 | Q | 98.6 | Very high | 98 | Very high | 123 Ų | 123 | 97 Ų | 97 | 58% | 0.575 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 174.5 | -75.7 | -179.2 | -7.8 | 0 | 0 | 112.2 | Q47 I48 R53 L54 I55 | Q47-Q51 WeakPolarHBondContact O-CB 3.31Å; Q47-Q51 VanDerWaalsContact O-CG 3.29Å; Q47-Q51 WeakPolarHBondContact O-CG 3.4Å; Q47-Q51 PolarHBondContact O-N 2.81Å; I48-Q51 PolarHBondContact O-N 3.05Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 3.27Å; Q51-L54 PolarHBondContact O-N 3.17Å; Q51-I55 VanDerWaalsContact O-CG1 3.29Å; Q51-I55 WeakPolarHBondContact O-CG1 3.42Å; Q51-I55 PolarHBondContact O-N 2.97Å |
| 52 | Q | 98.5 | Very high | 97.7 | Very high | 115 Ų | 115 | 99.1 Ų | 99.1 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 176.4 | -76.9 | 174.3 | 0.9 | 0 | 0 | 111.8 | I48 E49 S56 | I48-Q52 HydrophobicContact CG2-CG 4.37Å; I48-Q52 WeakPolarHBondContact O-CB 3.47Å; I48-Q52 VanDerWaalsContact O-CG 3.23Å; I48-Q52 WeakPolarHBondContact O-CG 3.38Å; I48-Q52 PolarHBondContact O-N 3.45Å; E49-Q52 PolarHBondContact O-N 3.16Å; Q52-S56 WeakPolarHBondContact O-CB 3.3Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 PolarHBondContact O-OG 3.44Å |
| 53 | R | 98.4 | Very high | 97.3 | Very high | 153 Ų | 153 | 97.1 Ų | 97.1 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64 | -47.2 | 174.9 | -168.4 | -178.8 | -59 | 167.6 | 7.6 | 111.2 | E49 D50 Q51 I55 S56 D57 | E49-R53 PolarHBondContact O-N 3.23Å; D50-R53 PolarHBondContact O-N 2.8Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 3.27Å; R53-I55 VanDerWaalsContact C-N 3.34Å; R53-I55 PolarHBondContact O-N 3.35Å; R53-S56 WeakPolarHBondContact O-CB 3.25Å; R53-S56 PolarHBondContact O-N 2.88Å; R53-S56 VanDerWaalsContact O-N 3.15Å; R53-D57 PolarHBondContact O-N 3.09Å |
| 54 | L | 98.3 | Very high | 96.7 | Very high | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 177.7 | 179.2 | 64 | 0 | 0 | 0 | 112.1 | D50 Q51 S56 D57 L58 | D50-L54 PolarHBondContact O-N 2.97Å; Q51-L54 PolarHBondContact O-N 3.17Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.38Å; L54-D57 PolarHBondContact O-N 2.94Å; L54-L58 HydrophobicContact CD1-CD1 4.24Å; L54-L58 HydrophobicContact CD1-CG 4.34Å; L54-L58 HydrophobicContact CG-CD1 4.1Å; L54-L58 WeakPolarHBondContact O-CB 3.37Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.01Å |
| 55 | I | 98.1 | Very high | 95.7 | Very high | 91 Ų | 91 | 98 Ų | 98 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 176.3 | -69.5 | 165.5 | 0 | 0 | 0 | 110 | Q51 R53 D57 L58 E59 | Q51-I55 VanDerWaalsContact O-CG1 3.29Å; Q51-I55 WeakPolarHBondContact O-CG1 3.42Å; Q51-I55 PolarHBondContact O-N 2.97Å; R53-I55 VanDerWaalsContact C-N 3.34Å; R53-I55 PolarHBondContact O-N 3.35Å; I55-D57 PolarHBondContact O-N 2.95Å; I55-L58 PolarHBondContact O-N 3.09Å; I55-E59 HydrophobicContact CG2-CG 4.33Å; I55-E59 WeakPolarHBondContact O-CB 3.26Å; I55-E59 VanDerWaalsContact O-CG 3.3Å; I55-E59 WeakPolarHBondContact O-CG 3.46Å; I55-E59 PolarHBondContact O-N 3.43Å |
| 56 | S | 98.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 104.6 Ų | 104.6 | 43% | 0.427 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 179 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | Q52 R53 L54 E59 T60 | Q52-S56 WeakPolarHBondContact O-CB 3.3Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 PolarHBondContact O-OG 3.44Å; R53-S56 WeakPolarHBondContact O-CB 3.25Å; R53-S56 PolarHBondContact O-N 2.88Å; R53-S56 VanDerWaalsContact O-N 3.15Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.38Å; S56-E59 WeakPolarHBondContact O-CB 3.31Å; S56-E59 PolarHBondContact O-N 3.47Å; S56-T60 VanDerWaalsContact O-CG2 3.31Å; S56-T60 WeakPolarHBondContact O-CG2 3.48Å; S56-T60 PolarHBondContact O-N 3.46Å |
| 57 | D | 97.6 | Very high | 92.4 | Very high | 87 Ų | 87 | 106.2 Ų | 106.2 | 47% | 0.465 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 178.6 | -70.1 | -15.5 | 0 | 0 | 0 | 110.9 | R53 L54 I55 E59 T60 E61 | R53-D57 PolarHBondContact O-N 3.09Å; L54-D57 PolarHBondContact O-N 2.94Å; I55-D57 PolarHBondContact O-N 2.95Å; D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 2.85Å; D57-T60 PolarHBondContact O-N 2.94Å; D57-T60 VanDerWaalsContact O-N 3.1Å; D57-T60 PolarHBondContact O-OG1 2.73Å; D57-E61 PolarHBondContact O-N 2.9Å |
| 58 | L | 97.1 | Very high | 90.2 | Very high | 83 Ų | 83 | 107 Ų | 107 | 44% | 0.435 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.7 | -38.8 | 176.6 | -70.6 | 172.1 | 0 | 0 | 0 | 112.5 | L54 I55 T60 E61 L62 | L54-L58 HydrophobicContact CD1-CD1 4.24Å; L54-L58 HydrophobicContact CD1-CG 4.34Å; L54-L58 HydrophobicContact CG-CD1 4.1Å; L54-L58 WeakPolarHBondContact O-CB 3.37Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.01Å; I55-L58 PolarHBondContact O-N 3.09Å; L58-T60 VanDerWaalsContact C-N 3.3Å; L58-T60 PolarHBondContact O-N 2.87Å; L58-E61 PolarHBondContact O-N 3.46Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.08Å; L58-L62 PolarHBondContact O-N 2.95Å |
| 59 | E | 96.3 | Very high | 87.9 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62 | -38.7 | 174.3 | -77.5 | 179.8 | 172.5 | 0 | 0 | 111.7 | I55 S56 D57 S63 | I55-E59 HydrophobicContact CG2-CG 4.33Å; I55-E59 WeakPolarHBondContact O-CB 3.26Å; I55-E59 VanDerWaalsContact O-CG 3.3Å; I55-E59 WeakPolarHBondContact O-CG 3.46Å; I55-E59 PolarHBondContact O-N 3.43Å; S56-E59 WeakPolarHBondContact O-CB 3.31Å; S56-E59 PolarHBondContact O-N 3.47Å; D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 2.85Å; E59-S63 VanDerWaalsContact O-CB 3.25Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 2.87Å; E59-S63 PolarHBondContact O-OG 2.88Å |
| 60 | T | 95.3 | Very high | 85.5 | Confident | 88 Ų | 88 | 107.4 Ų | 107.4 | 54% | 0.54 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.6 | -40.8 | 174.5 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | S56 D57 L58 S63 A64 | S56-T60 VanDerWaalsContact O-CG2 3.31Å; S56-T60 WeakPolarHBondContact O-CG2 3.48Å; S56-T60 PolarHBondContact O-N 3.46Å; D57-T60 PolarHBondContact O-N 2.94Å; D57-T60 VanDerWaalsContact O-N 3.1Å; D57-T60 PolarHBondContact O-OG1 2.73Å; L58-T60 VanDerWaalsContact C-N 3.3Å; L58-T60 PolarHBondContact O-N 2.87Å; T60-S63 PolarHBondContact O-N 3.27Å; T60-A64 WeakPolarHBondContact O-CB 3.31Å; T60-A64 PolarHBondContact O-N 3.46Å |
| 61 | E | 94.8 | Very high | 83.2 | Confident | 124 Ų | 124 | 112.7 Ų | 112.7 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.2 | -43 | 176.5 | -71.6 | -169.3 | 160.8 | 0 | 0 | 112 | D57 L58 S63 A64 T65 | D57-E61 PolarHBondContact O-N 2.9Å; L58-E61 PolarHBondContact O-N 3.46Å; E61-S63 VanDerWaalsContact C-N 3.32Å; E61-S63 PolarHBondContact O-N 3.39Å; E61-A64 PolarHBondContact O-N 3.3Å; E61-T65 WeakPolarHBondContact O-CB 3.4Å; E61-T65 PolarHBondContact O-N 2.89Å; E61-T65 PolarHBondContact O-OG1 2.84Å |
| 62 | L | 92.6 | Very high | 80.8 | Confident | 115 Ų | 115 | 115.2 Ų | 115.2 | 60% | 0.602 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.4 | -38.5 | 175.1 | -72.3 | 175.6 | 0 | 0 | 0 | 111.5 | L58 R66 | L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.08Å; L58-L62 PolarHBondContact O-N 2.95Å; L62-R66 WeakPolarHBondContact O-CB 3.29Å; L62-R66 WeakPolarHBondContact O-CG 3.46Å; L62-R66 PolarHBondContact O-N 3.37Å |
| 63 | S | 90.3 | Very high | 78.1 | Confident | 74 Ų | 74 | 118.8 Ų | 118.8 | 52% | 0.517 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.5 | -35.3 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | E59 T60 E61 | E59-S63 VanDerWaalsContact O-CB 3.25Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 2.87Å; E59-S63 PolarHBondContact O-OG 2.88Å; T60-S63 PolarHBondContact O-N 3.27Å; E61-S63 VanDerWaalsContact C-N 3.32Å; E61-S63 PolarHBondContact O-N 3.39Å |
| 64 | A | 85.4 | Confident | 75.5 | Confident | 68 Ų | 68 | 117.2 Ų | 117.2 | 56% | 0.562 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.4 | -42.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T60 E61 R66 Q67 | T60-A64 WeakPolarHBondContact O-CB 3.31Å; T60-A64 PolarHBondContact O-N 3.46Å; E61-A64 PolarHBondContact O-N 3.3Å; A64-R66 VanDerWaalsContact C-N 3.3Å; A64-R66 PolarHBondContact O-N 3.27Å; A64-Q67 WeakPolarHBondContact O-CB 3.43Å; A64-Q67 PolarHBondContact O-N 3.49Å |
| 65 | T | 78.3 | Confident | 72.8 | Confident | 120 Ų | 120 | 120.2 Ų | 120.2 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.4 | -27.5 | 177.5 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | E61 Q67 | E61-T65 WeakPolarHBondContact O-CB 3.4Å; E61-T65 PolarHBondContact O-N 2.89Å; E61-T65 PolarHBondContact O-OG1 2.84Å; T65-Q67 VanDerWaalsContact C-N 3.27Å; T65-Q67 PolarHBondContact O-N 2.98Å |
| 66 | R | 70.9 | Confident | 70.2 | Confident | 222 Ų | 222 | 121.2 Ų | 121.2 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -5.8 | 173.6 | -88.8 | -174.9 | 175.3 | -166.1 | 1 | 114.5 | L62 A64 | L62-R66 WeakPolarHBondContact O-CB 3.29Å; L62-R66 WeakPolarHBondContact O-CG 3.46Å; L62-R66 PolarHBondContact O-N 3.37Å; A64-R66 VanDerWaalsContact C-N 3.3Å; A64-R66 PolarHBondContact O-N 3.27Å |
| 67 | Q | 57.7 | Low | 67.3 | Low | 144 Ų | 144 | 128.1 Ų | 128.1 | 67% | 0.673 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -69.1 | 132.6 | 172.6 | -69.1 | -63.5 | -36.5 | 0 | 0 | 110.1 | A64 T65 S69 | A64-Q67 WeakPolarHBondContact O-CB 3.43Å; A64-Q67 PolarHBondContact O-N 3.49Å; T65-Q67 VanDerWaalsContact C-N 3.27Å; T65-Q67 PolarHBondContact O-N 2.98Å; Q67-S69 PolarHBondContact O-N 3.37Å; Q67-S69 VanDerWaalsContact O-N 3.16Å |
| 68 | P | 52.3 | Low | 64.5 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 69% | 0.688 | 70% | 0.699 | S | S | * | * | trans | -75.8 | 109.2 | -161.4 | 29.7 | -34.7 | 0 | 0 | 0 | 111.8 | G70 | P68-G70 PolarHBondContact O-N 3.5Š| ||
| 69 | S | 50.2 | Low | 62 | Low | 129 Ų | 129 | 133.1 Ų | 133.1 | 90% | 0.902 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -71.7 | 102.1 | 155.5 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | Q67 | Q67-S69 PolarHBondContact O-N 3.37Å; Q67-S69 VanDerWaalsContact O-N 3.16Å |
| 70 | G | 49 | Very low | 59.3 | Low | 59 Ų | 59 | 134.7 Ų | 134.7 | 61% | 0.608 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 88.1 | 128.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P68 M72 | P68-G70 PolarHBondContact O-N 3.5Å; G70-M72 PolarHBondContact O-N 3.32Å; G70-M72 VanDerWaalsContact O-N 3.13Å |
| 71 | E | 50.1 | Low | 56.8 | Low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -44.8 | 113.6 | 172.8 | -70.3 | 173.2 | 119.2 | 0 | 0 | 113.1 | ||||
| 72 | M | 47 | Very low | 53.8 | Low | 175 Ų | 175 | 141.9 Ų | 141.9 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | trans | -128 | 104.7 | 143.9 | -67.9 | -166.1 | -178.2 | 0 | 0 | 107.2 | G70 C74 | G70-M72 PolarHBondContact O-N 3.32Å; G70-M72 VanDerWaalsContact O-N 3.13Å; M72-C74 VanDerWaalsContact C-N 3.3Å; M72-C74 PolarHBondContact O-N 2.76Å | ||
| 73 | K | 43.3 | Very low | 51.2 | Low | 191 Ų | 191 | 141.1 Ų | 141.1 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | -55.3 | 93.8 | 169.5 | -78.8 | -177 | 174.8 | 178.6 | 0 | 109.1 | E75 | K73-E75 PolarHBondContact O-N 3.07Š| ||
| 74 | C | 43.8 | Very low | 48.4 | Very low | 119 Ų | 119 | 142 Ų | 142 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -84.3 | 92.8 | 158.4 | -74.3 | 0 | 0 | 0 | 0 | 107 | M72 | M72-C74 VanDerWaalsContact C-N 3.3Å; M72-C74 PolarHBondContact O-N 2.76Å | ||
| 75 | E | 41.2 | Very low | 46.1 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -63.6 | 126.5 | 174.7 | -167.6 | 156.2 | 159.7 | 0 | 0 | 110 | K73 R77 | K73-E75 PolarHBondContact O-N 3.07Å; E75-R77 PolarHBondContact O-N 3.12Å | ||
| 76 | P | 43.2 | Very low | 44.2 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -69.6 | 94.2 | -179.5 | -19.1 | 32.1 | 0 | 0 | 0 | 111.1 | N78 | P76-N78 PolarHBondContact O-N 3.05Š| ||
| 77 | R | 36.1 | Very low | 42.9 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -79.1 | 85.8 | 174.1 | -124.7 | 178.3 | 178 | -160.5 | -10.2 | 110.1 | E75 H79 | E75-R77 PolarHBondContact O-N 3.12Å; R77-H79 VanDerWaalsContact C-N 3.28Å; R77-H79 VanDerWaalsContact CD-CD2 3.48Å; R77-H79 WeakPolarHBondContact CD-CD2 3.43Å; R77-H79 WeakPolarHBondContact CD-NE2 3.49Å; R77-H79 VanDerWaalsContact CG-NE2 3.33Å; R77-H79 WeakPolarHBondContact CG-NE2 3.31Å; R77-H79 PolarHBondContact NE-NE2 3.42Å; R77-H79 PolarHBondContact O-N 3.31Å | ||
| 78 | N | 40.6 | Very low | 42 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -66.7 | 89.3 | 157.7 | -76 | -65.4 | 0 | 0 | 0 | 108.7 | P76 L80 | P76-N78 PolarHBondContact O-N 3.05Å; N78-L80 PolarHBondContact O-N 3.11Å | ||
| 79 | H | 43 | Very low | 41.6 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 58% | 0.579 | 80% | 0.803 | S | S | * | * | trans | -92.3 | 92.3 | 162.8 | -79.1 | -52.1 | 0 | 0 | 0 | 109.8 | R77 L81 | R77-H79 VanDerWaalsContact C-N 3.28Å; R77-H79 VanDerWaalsContact CD-CD2 3.48Å; R77-H79 WeakPolarHBondContact CD-CD2 3.43Å; R77-H79 WeakPolarHBondContact CD-NE2 3.49Å; R77-H79 VanDerWaalsContact CG-NE2 3.33Å; R77-H79 WeakPolarHBondContact CG-NE2 3.31Å; R77-H79 PolarHBondContact NE-NE2 3.42Å; R77-H79 PolarHBondContact O-N 3.31Å; H79-L81 PolarHBondContact O-N 3.27Å | ||
| 80 | L | 40.6 | Very low | 41.2 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | -48.8 | 103 | 156.9 | -173.8 | 136.7 | 0 | 0 | 0 | 108.7 | N78 K82 | N78-L80 PolarHBondContact O-N 3.11Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 HydrophobicContact CD2-CB 3.89Å; L80-K82 PolarHBondContact O-N 2.95Å | ||
| 81 | L | 42.8 | Very low | 40.6 | Very low | 180 Ų | 180 | 153.1 Ų | 153.1 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | trans | -68.1 | 93.8 | 170.2 | -78.3 | 166.5 | 0 | 0 | 0 | 108.5 | H79 | H79-L81 PolarHBondContact O-N 3.27Š| ||
| 82 | K | 31.4 | Very low | 39.7 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | -105 | 121.7 | 158.3 | -166.8 | 163.3 | -176.9 | 170.3 | 0 | 108.4 | L80 | L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 HydrophobicContact CD2-CB 3.89Å; L80-K82 PolarHBondContact O-N 2.95Å | ||
| 83 | A | 37.3 | Very low | 38.9 | Very low | 98 Ų | 98 | 157 Ų | 157 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -54.9 | 135.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 84 | A | 32.5 | Very low | 38.7 | Very low | 94 Ų | 94 | 151 Ų | 151 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | 171 | 131.5 | 127.8 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 85 | A | 37.4 | Very low | 38.5 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 45.3 | 114.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 86 | S | 37.2 | Very low | 38.5 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 152.4 | 112 | 109.9 | -162.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 87 | S | 44.5 | Very low | 38.2 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -55.2 | 130.3 | 173.4 | 35.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 88 | R | 39.3 | Very low | 38.3 | Very low | 252 Ų | 252 | 147.1 Ų | 147.1 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | trans | -149.8 | 146.3 | 146 | -99.9 | -171.3 | -79.7 | -166 | -0.8 | 111.5 | ||||
| 89 | K | 43.9 | Very low | 38.2 | Very low | 198 Ų | 198 | 146.9 Ų | 146.9 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -102.9 | 128 | -162.2 | 172.7 | -178.5 | -176 | 175.7 | 0 | 109.9 | ||||
| 90 | T | 40.5 | Very low | 38 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -161 | 97.6 | 160.7 | -21 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 91 | Q | 36.2 | Very low | 37.7 | Very low | 169 Ų | 169 | 142 Ų | 142 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | 60.6 | 103.1 | 82.9 | -158.3 | 167 | 11 | 0 | 0 | 115.9 | |||||
| 92 | Y | 31.3 | Very low | 37.5 | Very low | 223 Ų | 223 | 138 Ų | 138 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | 41.9 | 127.4 | 149 | -89.2 | -96.5 | 0 | 0 | 0 | 121.9 | ||||
| 93 | R | 31.1 | Very low | 37.9 | Very low | 220 Ų | 220 | 134.7 Ų | 134.7 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | -163.3 | 108.2 | 123.1 | -174 | 171.2 | -88.9 | -103.6 | 5.2 | 110.7 | |||||
| 94 | G | 39.2 | Very low | 38.6 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | -81.8 | 144.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 95 | N | 38.4 | Very low | 39.3 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | -130.5 | 116 | 164 | -84.1 | -16.7 | 0 | 0 | 0 | 108.1 | ||||
| 96 | V | 43.3 | Very low | 39.7 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -83.9 | 137.7 | 164.7 | -84.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 97 | A | 34.9 | Very low | 40.2 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -135.3 | 109.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 98 | T | 38.4 | Very low | 40.8 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -76.3 | 124.6 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 99 | V | 39.2 | Very low | 41.8 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -127.9 | 119.7 | 150 | 169.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 100 | A | 38.1 | Very low | 42.7 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | -82 | 129 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 101 | G | 34.5 | Very low | 44.2 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | -164.6 | 96 | 167 | 0 | 0 | 0 | 0 | 0 | 107.1 | S103 | G101-S103 PolarHBondContact O-N 3.35Š| ||
| 102 | A | 38.1 | Very low | 46.4 | Very low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -70 | 122.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 103 | S | 41 | Very low | 49.1 | Very low | 115 Ų | 115 | 117.4 Ų | 117.4 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -142.1 | 109.9 | 141.5 | -76.2 | 0 | 0 | 0 | 0 | 106.5 | G101 L105 | G101-S103 PolarHBondContact O-N 3.35Å; S103-L105 PolarHBondContact O-N 3.32Å; S103-L105 VanDerWaalsContact O-N 3.09Å | ||
| 104 | N | 51.2 | Low | 52 | Low | 159 Ų | 159 | 112.7 Ų | 112.7 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | trans | -66.3 | 104.3 | 178.7 | -65.7 | -50.2 | 0 | 0 | 0 | 109.9 | ||||
| 105 | L | 47 | Very low | 54.6 | Low | 155 Ų | 155 | 114.1 Ų | 114.1 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | trans | -134.5 | 97.2 | 152.7 | -95.1 | 146 | 0 | 0 | 0 | 105.4 | S103 V107 | S103-L105 PolarHBondContact O-N 3.32Å; S103-L105 VanDerWaalsContact O-N 3.09Å; L105-V107 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 2.87Å | ||
| 106 | T | 45.7 | Very low | 57.2 | Low | 125 Ų | 125 | 112.4 Ų | 112.4 | 77% | 0.767 | 69% | 0.693 | S | S | * | * | trans | -56.3 | 98.4 | 168.7 | -50.2 | 0 | 0 | 0 | 0 | 107.1 | N108 | T106-N108 VanDerWaalsContact C-N 3.34Å; T106-N108 PolarHBondContact O-N 3.32Å | ||
| 107 | V | 49.6 | Very low | 59.6 | Low | 115 Ų | 115 | 109 Ų | 109 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | trans | -67.6 | 97.2 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 106.7 | L105 S109 | L105-V107 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 2.87Å; V107-S109 PolarHBondContact O-N 3.44Å | ||
| 108 | N | 56.4 | Low | 62.5 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | trans | -75.4 | 48.8 | 172.7 | -112.5 | 31.6 | 0 | 0 | 0 | 110.2 | T106 S110 S111 D112 | T106-N108 VanDerWaalsContact C-N 3.34Å; T106-N108 PolarHBondContact O-N 3.32Å; N108-S110 PolarHBondContact O-N 3.29Å; N108-S111 PolarHBondContact O-N 3Å; N108-D112 PolarHBondContact O-N 3.36Å | ||
| 109 | S | 60.3 | Low | 65.2 | Low | 78 Ų | 78 | 102.8 Ų | 102.8 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.2 | -19.1 | -174.8 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | V107 | V107-S109 PolarHBondContact O-N 3.44Å |
| 110 | S | 62.4 | Low | 68 | Low | 100 Ų | 100 | 101.7 Ų | 101.7 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.1 | -29.3 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 113.3 | N108 Q114 | N108-S110 PolarHBondContact O-N 3.29Å; S110-Q114 PolarHBondContact O-N 2.93Å |
| 111 | S | 72.3 | Confident | 70.8 | Confident | 51 Ų | 51 | 103.6 Ų | 103.6 | 36% | 0.357 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -75.7 | -45.6 | 177.9 | -164.2 | 0 | 0 | 0 | 0 | 109.9 | N108 Y113 Q114 D115 | N108-S111 PolarHBondContact O-N 3Å; S111-Y113 VanDerWaalsContact C-N 3.31Å; S111-Y113 PolarHBondContact O-N 3.49Å; S111-Q114 WeakPolarHBondContact O-CB 3.3Å; S111-Q114 PolarHBondContact O-N 3.15Å; S111-Q114 VanDerWaalsContact O-N 3.07Å; S111-D115 PolarHBondContact O-N 3.46Å |
| 112 | D | 81.7 | Confident | 73.7 | Confident | 98 Ų | 98 | 102.8 Ų | 102.8 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.1 | -36.5 | -176.8 | -57.8 | -24.5 | 0 | 0 | 0 | 112.5 | N108 M116 | N108-D112 PolarHBondContact O-N 3.36Å; D112-M116 WeakPolarHBondContact O-CB 3.29Å; D112-M116 PolarHBondContact O-N 2.79Å |
| 113 | Y | 88.9 | Confident | 76.5 | Confident | 147 Ų | 147 | 102.4 Ų | 102.4 | 58% | 0.576 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.9 | -39.2 | 175.1 | -172 | -102.7 | 0 | 0 | 0 | 112 | S111 M116 L117 | S111-Y113 VanDerWaalsContact C-N 3.31Å; S111-Y113 PolarHBondContact O-N 3.49Å; Y113-M116 PolarHBondContact O-N 3.41Å; Y113-L117 HydrophobicContact CD1-CD1 3.82Å; Y113-L117 HydrophobicContact CD1-CG 4.26Å; Y113-L117 HydrophobicContact CE1-CD1 3.47Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.47Å; Y113-L117 HydrophobicContact CE1-CD2 4.44Å; Y113-L117 HydrophobicContact CE1-CG 3.99Å; Y113-L117 WeakPolarHBondContact O-CG 3.23Å; Y113-L117 PolarHBondContact O-N 2.99Å |
| 114 | Q | 92 | Very high | 79.2 | Confident | 121 Ų | 121 | 102 Ų | 102 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.6 | -40.2 | 176.8 | -169.9 | 63.6 | 25.8 | 0 | 0 | 111.3 | S110 S111 L117 A118 | S110-Q114 PolarHBondContact O-N 2.93Å; S111-Q114 WeakPolarHBondContact O-CB 3.3Å; S111-Q114 PolarHBondContact O-N 3.15Å; S111-Q114 VanDerWaalsContact O-N 3.07Å; Q114-L117 PolarHBondContact O-N 3.1Å; Q114-A118 WeakPolarHBondContact O-CB 3.4Å; Q114-A118 PolarHBondContact O-N 2.96Å |
| 115 | D | 92.6 | Very high | 81.4 | Confident | 94 Ų | 94 | 95.9 Ų | 95.9 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 175.5 | -68.8 | -30.6 | 0 | 0 | 0 | 111.4 | S111 A118 A119 | S111-D115 PolarHBondContact O-N 3.46Å; D115-A118 PolarHBondContact O-N 3.38Å; D115-A119 WeakPolarHBondContact O-CB 3.45Å; D115-A119 PolarHBondContact O-N 3Å |
| 116 | M | 94 | Very high | 83.8 | Confident | 108 Ų | 108 | 94.6 Ų | 94.6 | 53% | 0.532 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 171.7 | -110.4 | -164 | -71.1 | 0 | 0 | 112 | D112 Y113 A118 A119 F120 | D112-M116 WeakPolarHBondContact O-CB 3.29Å; D112-M116 PolarHBondContact O-N 2.79Å; Y113-M116 PolarHBondContact O-N 3.41Å; M116-A118 VanDerWaalsContact C-N 3.34Å; M116-A118 PolarHBondContact O-N 2.89Å; M116-A119 WeakPolarHBondContact O-CB 3.27Å; M116-A119 PolarHBondContact O-N 3.01Å; M116-F120 WeakPolarHBondContact O-CD2 3.45Å; M116-F120 PolarHBondContact O-N 2.68Å |
| 117 | L | 94.1 | Very high | 86.3 | Confident | 75 Ų | 75 | 94.5 Ų | 94.5 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.2 | -73.4 | 178 | 0 | 0 | 0 | 111.7 | Y113 Q114 A119 F120 E121 | Y113-L117 HydrophobicContact CD1-CD1 3.82Å; Y113-L117 HydrophobicContact CD1-CG 4.26Å; Y113-L117 HydrophobicContact CE1-CD1 3.47Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.47Å; Y113-L117 HydrophobicContact CE1-CD2 4.44Å; Y113-L117 HydrophobicContact CE1-CG 3.99Å; Y113-L117 WeakPolarHBondContact O-CG 3.23Å; Y113-L117 PolarHBondContact O-N 2.99Å; Q114-L117 PolarHBondContact O-N 3.1Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.23Å; L117-F120 PolarHBondContact O-N 3.19Å; L117-E121 PolarHBondContact O-N 3.27Å |
| 118 | A | 94.2 | Very high | 88.6 | Confident | 50 Ų | 50 | 95.2 Ų | 95.2 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q114 D115 M116 E121 A122 | Q114-A118 WeakPolarHBondContact O-CB 3.4Å; Q114-A118 PolarHBondContact O-N 2.96Å; D115-A118 PolarHBondContact O-N 3.38Å; M116-A118 VanDerWaalsContact C-N 3.34Å; M116-A118 PolarHBondContact O-N 2.89Å; A118-E121 PolarHBondContact O-N 2.86Å; A118-A122 WeakPolarHBondContact O-CB 3.39Å; A118-A122 PolarHBondContact O-N 3.12Å |
| 119 | A | 95.8 | Very high | 90.5 | Very high | 50 Ų | 50 | 95.2 Ų | 95.2 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D115 M116 L117 E121 A122 I123 | D115-A119 WeakPolarHBondContact O-CB 3.45Å; D115-A119 PolarHBondContact O-N 3Å; M116-A119 WeakPolarHBondContact O-CB 3.27Å; M116-A119 PolarHBondContact O-N 3.01Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.23Å; A119-E121 VanDerWaalsContact C-N 3.35Å; A119-E121 PolarHBondContact O-N 3.01Å; A119-A122 PolarHBondContact O-N 3.33Å; A119-I123 WeakPolarHBondContact O-CB 3.21Å; A119-I123 VanDerWaalsContact O-CG1 3.25Å; A119-I123 WeakPolarHBondContact O-CG1 3.44Å; A119-I123 PolarHBondContact O-N 2.93Å |
| 120 | F | 97.4 | Very high | 92.3 | Very high | 123 Ų | 123 | 95.9 Ų | 95.9 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 174.6 | -81.5 | -64.4 | 0 | 0 | 0 | 112.2 | M116 L117 I123 Q124 | M116-F120 WeakPolarHBondContact O-CD2 3.45Å; M116-F120 PolarHBondContact O-N 2.68Å; L117-F120 PolarHBondContact O-N 3.19Å; F120-I123 PolarHBondContact O-N 3.24Å; F120-Q124 WeakPolarHBondContact O-CG 3.33Å; F120-Q124 PolarHBondContact O-N 3.34Å |
| 121 | E | 96.9 | Very high | 94 | Very high | 135 Ų | 135 | 97.2 Ų | 97.2 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 176.2 | -172.8 | 169.1 | -165.8 | 0 | 0 | 111.7 | L117 A118 A119 Q124 G125 | L117-E121 PolarHBondContact O-N 3.27Å; A118-E121 PolarHBondContact O-N 2.86Å; A119-E121 VanDerWaalsContact C-N 3.35Å; A119-E121 PolarHBondContact O-N 3.01Å; E121-Q124 PolarHBondContact O-N 3.03Å; E121-G125 PolarHBondContact O-N 3.42Å |
| 122 | A | 96.2 | Very high | 95.2 | Very high | 60 Ų | 60 | 98.1 Ų | 98.1 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A118 A119 G125 K126 | A118-A122 WeakPolarHBondContact O-CB 3.39Å; A118-A122 PolarHBondContact O-N 3.12Å; A119-A122 PolarHBondContact O-N 3.33Å; A122-G125 PolarHBondContact O-N 3.36Å; A122-K126 WeakPolarHBondContact O-CG 3.24Å; A122-K126 PolarHBondContact O-N 3Å |
| 123 | I | 97.6 | Very high | 95.9 | Very high | 86 Ų | 86 | 97.7 Ų | 97.7 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 176.2 | -70.7 | 166.2 | 0 | 0 | 0 | 110.4 | A119 F120 G125 K126 F127 | A119-I123 WeakPolarHBondContact O-CB 3.21Å; A119-I123 VanDerWaalsContact O-CG1 3.25Å; A119-I123 WeakPolarHBondContact O-CG1 3.44Å; A119-I123 PolarHBondContact O-N 2.93Å; F120-I123 PolarHBondContact O-N 3.24Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 2.94Å; I123-K126 PolarHBondContact O-N 3.43Å; I123-K126 VanDerWaalsContact O-N 3.16Å; I123-F127 HydrophobicContact CG2-CD2 3.7Å; I123-F127 HydrophobicContact CG2-CE2 3.42Å; I123-F127 VanDerWaalsContact CG2-CE2 3.42Å; I123-F127 VanDerWaalsContact O-CD2 3.24Å; I123-F127 WeakPolarHBondContact O-CD2 3.44Å; I123-F127 PolarHBondContact O-N 2.94Å |
| 124 | Q | 96.8 | Very high | 96.3 | Very high | 106 Ų | 106 | 94.2 Ų | 94.2 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 175.8 | -73.6 | -176.3 | 9.3 | 0 | 0 | 112.2 | F120 E121 K126 F127 R128 | F120-Q124 WeakPolarHBondContact O-CG 3.33Å; F120-Q124 PolarHBondContact O-N 3.34Å; E121-Q124 PolarHBondContact O-N 3.03Å; Q124-K126 PolarHBondContact O-N 3.12Å; Q124-F127 PolarHBondContact O-N 3.49Å; Q124-R128 PolarHBondContact O-N 3.36Å |
| 125 | G | 97.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 92.5 Ų | 92.5 | 32% | 0.32 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E121 A122 I123 R128 Q129 | E121-G125 PolarHBondContact O-N 3.42Å; A122-G125 PolarHBondContact O-N 3.36Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 2.94Å; G125-R128 PolarHBondContact O-N 3.38Å; G125-Q129 PolarHBondContact O-N 3.35Å |
| 126 | K | 97.8 | Very high | 96.6 | Very high | 129 Ų | 129 | 94 Ų | 94 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | 176.5 | -68.1 | -68.1 | -177.2 | 177.3 | 0 | 112.4 | A122 I123 Q124 R128 Q129 I130 | A122-K126 WeakPolarHBondContact O-CG 3.24Å; A122-K126 PolarHBondContact O-N 3Å; I123-K126 PolarHBondContact O-N 3.43Å; I123-K126 VanDerWaalsContact O-N 3.16Å; Q124-K126 PolarHBondContact O-N 3.12Å; K126-R128 VanDerWaalsContact C-N 3.34Å; K126-R128 PolarHBondContact O-N 3.05Å; K126-Q129 WeakPolarHBondContact O-CB 3.39Å; K126-Q129 PolarHBondContact O-N 2.7Å; K126-Q129 VanDerWaalsContact O-N 3.16Å; K126-I130 WeakPolarHBondContact O-CG1 3.27Å; K126-I130 PolarHBondContact O-N 3.26Å |
| 127 | F | 98.2 | Very high | 96.7 | Very high | 123 Ų | 123 | 94.7 Ų | 94.7 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 174.9 | -80.1 | -64.8 | 0 | 0 | 0 | 112.4 | I123 Q124 Q129 I130 Q131 | I123-F127 HydrophobicContact CG2-CD2 3.7Å; I123-F127 HydrophobicContact CG2-CE2 3.42Å; I123-F127 VanDerWaalsContact CG2-CE2 3.42Å; I123-F127 VanDerWaalsContact O-CD2 3.24Å; I123-F127 WeakPolarHBondContact O-CD2 3.44Å; I123-F127 PolarHBondContact O-N 2.94Å; Q124-F127 PolarHBondContact O-N 3.49Å; F127-Q129 VanDerWaalsContact C-N 3.32Å; F127-Q129 PolarHBondContact O-N 2.91Å; F127-I130 PolarHBondContact O-N 2.89Å; F127-Q131 WeakPolarHBondContact O-CG 3.41Å; F127-Q131 PolarHBondContact O-N 3.11Å |
| 128 | R | 97.7 | Very high | 96.7 | Very high | 130 Ų | 130 | 98.3 Ų | 98.3 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 173.5 | -72.5 | -170.1 | -78 | -95.4 | 4.8 | 112.1 | Q124 G125 K126 Q131 T132 | Q124-R128 PolarHBondContact O-N 3.36Å; G125-R128 PolarHBondContact O-N 3.38Å; K126-R128 VanDerWaalsContact C-N 3.34Å; K126-R128 PolarHBondContact O-N 3.05Å; R128-Q131 PolarHBondContact O-N 3.13Å; R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 3.06Å; R128-T132 PolarHBondContact O-OG1 2.92Å |
| 129 | Q | 97.4 | Very high | 96.8 | Very high | 105 Ų | 105 | 101.7 Ų | 101.7 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 175.2 | -171.9 | 177.8 | 22 | 0 | 0 | 111.4 | G125 K126 F127 Q131 T132 L133 | G125-Q129 PolarHBondContact O-N 3.35Å; K126-Q129 WeakPolarHBondContact O-CB 3.39Å; K126-Q129 PolarHBondContact O-N 2.7Å; K126-Q129 VanDerWaalsContact O-N 3.16Å; F127-Q129 VanDerWaalsContact C-N 3.32Å; F127-Q129 PolarHBondContact O-N 2.91Å; Q129-Q131 PolarHBondContact O-N 3.34Å; Q129-T132 WeakPolarHBondContact O-CB 3.4Å; Q129-T132 PolarHBondContact O-N 3.37Å; Q129-L133 HydrophobicContact CG-CD1 4.28Å; Q129-L133 WeakPolarHBondContact O-CG 3.44Å; Q129-L133 PolarHBondContact O-N 3.35Å |
| 130 | I | 97.9 | Very high | 96.6 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 176.8 | -67.5 | 165.8 | 0 | 0 | 0 | 109.9 | K126 F127 T132 L133 T134 | K126-I130 WeakPolarHBondContact O-CG1 3.27Å; K126-I130 PolarHBondContact O-N 3.26Å; F127-I130 PolarHBondContact O-N 2.89Å; I130-T132 VanDerWaalsContact C-N 3.27Å; I130-T132 PolarHBondContact O-N 3.48Å; I130-L133 PolarHBondContact O-N 3.47Å; I130-T134 PolarHBondContact O-N 3.04Å; I130-T134 PolarHBondContact O-OG1 3.41Å |
| 131 | Q | 97.3 | Very high | 96.3 | Very high | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.1 | -41.6 | 176.8 | -74 | 176.9 | -2.5 | 0 | 0 | 112.3 | F127 R128 Q129 T135 | F127-Q131 WeakPolarHBondContact O-CG 3.41Å; F127-Q131 PolarHBondContact O-N 3.11Å; R128-Q131 PolarHBondContact O-N 3.13Å; Q129-Q131 PolarHBondContact O-N 3.34Å; Q131-T135 WeakPolarHBondContact O-CB 3.37Å; Q131-T135 VanDerWaalsContact O-CG2 3.23Å; Q131-T135 WeakPolarHBondContact O-CG2 3.34Å; Q131-T135 PolarHBondContact O-N 2.93Å; Q131-T135 PolarHBondContact O-OG1 3.45Å |
| 132 | T | 97.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 104.4 Ų | 104.4 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | R128 Q129 I130 T135 K136 | R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 3.06Å; R128-T132 PolarHBondContact O-OG1 2.92Å; Q129-T132 WeakPolarHBondContact O-CB 3.4Å; Q129-T132 PolarHBondContact O-N 3.37Å; I130-T132 VanDerWaalsContact C-N 3.27Å; I130-T132 PolarHBondContact O-N 3.48Å; T132-T135 WeakPolarHBondContact CA-OG1 3.44Å; T132-T135 PolarHBondContact O-OG1 2.96Å; T132-K136 VanDerWaalsContact O-CG 3.31Å; T132-K136 WeakPolarHBondContact O-CG 3.45Å; T132-K136 PolarHBondContact O-N 3.23Å; T132-K136 VanDerWaalsContact O-N 3.14Å |
| 133 | L | 97.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 110.4 Ų | 110.4 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.4 | -45.7 | 176.8 | -69.4 | 173.1 | 0 | 0 | 0 | 111.5 | Q129 I130 T135 K136 Q137 | Q129-L133 HydrophobicContact CG-CD1 4.28Å; Q129-L133 WeakPolarHBondContact O-CG 3.44Å; Q129-L133 PolarHBondContact O-N 3.35Å; I130-L133 PolarHBondContact O-N 3.47Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 3.32Å; L133-K136 PolarHBondContact O-N 2.97Å; L133-Q137 WeakPolarHBondContact O-CB 3.33Å; L133-Q137 WeakPolarHBondContact O-CG 3.31Å; L133-Q137 PolarHBondContact O-N 3.4Å |
| 134 | T | 96.2 | Very high | 94.4 | Very high | 74 Ų | 74 | 113.2 Ų | 113.2 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 179 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | I130 Q137 K138 | I130-T134 PolarHBondContact O-N 3.04Å; I130-T134 PolarHBondContact O-OG1 3.41Å; T134-Q137 PolarHBondContact O-N 3Å; T134-K138 VanDerWaalsContact O-CB 3.26Å; T134-K138 WeakPolarHBondContact O-CB 3.49Å; T134-K138 PolarHBondContact O-N 2.88Å |
| 135 | T | 95.8 | Very high | 93.3 | Very high | 86 Ų | 86 | 114.7 Ų | 114.7 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 174.7 | 49 | 0 | 0 | 0 | 0 | 112 | Q131 T132 L133 K138 H139 | Q131-T135 WeakPolarHBondContact O-CB 3.37Å; Q131-T135 VanDerWaalsContact O-CG2 3.23Å; Q131-T135 WeakPolarHBondContact O-CG2 3.34Å; Q131-T135 PolarHBondContact O-N 2.93Å; Q131-T135 PolarHBondContact O-OG1 3.45Å; T132-T135 WeakPolarHBondContact CA-OG1 3.44Å; T132-T135 PolarHBondContact O-OG1 2.96Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 3.32Å; T135-K138 PolarHBondContact O-N 2.93Å; T135-H139 WeakPolarHBondContact O-CB 3.45Å; T135-H139 PolarHBondContact O-N 3.36Å |
| 136 | K | 95.6 | Very high | 91.5 | Very high | 124 Ų | 124 | 115.6 Ų | 115.6 | 54% | 0.539 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.7 | -47.9 | 172.1 | -73.9 | 176.6 | -179.2 | -177.6 | 0 | 112 | T132 L133 K138 H139 H140 | T132-K136 VanDerWaalsContact O-CG 3.31Å; T132-K136 WeakPolarHBondContact O-CG 3.45Å; T132-K136 PolarHBondContact O-N 3.23Å; T132-K136 VanDerWaalsContact O-N 3.14Å; L133-K136 PolarHBondContact O-N 2.97Å; K136-K138 VanDerWaalsContact C-N 3.34Å; K136-K138 PolarHBondContact O-N 2.91Å; K136-H139 WeakPolarHBondContact O-CB 3.37Å; K136-H139 PolarHBondContact O-N 2.91Å; K136-H139 VanDerWaalsContact O-N 3.09Å; K136-H140 PolarHBondContact O-CD2 2.95Å; K136-H140 PolarHBondContact O-N 3.32Å |
| 137 | Q | 95.4 | Very high | 89.5 | Confident | 123 Ų | 123 | 112.8 Ų | 112.8 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.1 | -46 | 176.5 | -75.1 | 175.8 | -21.5 | 0 | 0 | 111.3 | L133 T134 H139 H140 L141 | L133-Q137 WeakPolarHBondContact O-CB 3.33Å; L133-Q137 WeakPolarHBondContact O-CG 3.31Å; L133-Q137 PolarHBondContact O-N 3.4Å; T134-Q137 PolarHBondContact O-N 3Å; Q137-H139 VanDerWaalsContact C-N 3.3Å; Q137-H139 PolarHBondContact O-N 3.36Å; Q137-H140 PolarHBondContact O-N 3.36Å; Q137-L141 WeakPolarHBondContact O-CG 3.49Å; Q137-L141 PolarHBondContact O-N 3.01Å |
| 138 | K | 95.5 | Very high | 87.3 | Confident | 152 Ų | 152 | 114.6 Ų | 114.6 | 66% | 0.661 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.8 | -42.2 | 173.6 | 178.3 | 179.6 | 176.4 | 176 | 0 | 112 | T134 T135 K136 L141 K142 | T134-K138 VanDerWaalsContact O-CB 3.26Å; T134-K138 WeakPolarHBondContact O-CB 3.49Å; T134-K138 PolarHBondContact O-N 2.88Å; T135-K138 PolarHBondContact O-N 2.93Å; K136-K138 VanDerWaalsContact C-N 3.34Å; K136-K138 PolarHBondContact O-N 2.91Å; K138-L141 PolarHBondContact O-N 3.27Å; K138-K142 WeakPolarHBondContact O-CB 3.46Å; K138-K142 PolarHBondContact O-N 3.46Å |
| 139 | H | 94.4 | Very high | 85.3 | Confident | 121 Ų | 121 | 115.5 Ų | 115.5 | 56% | 0.56 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.2 | -43 | 176.5 | 178 | -94.5 | 0 | 0 | 0 | 112 | T135 K136 Q137 K142 R143 | T135-H139 WeakPolarHBondContact O-CB 3.45Å; T135-H139 PolarHBondContact O-N 3.36Å; K136-H139 WeakPolarHBondContact O-CB 3.37Å; K136-H139 PolarHBondContact O-N 2.91Å; K136-H139 VanDerWaalsContact O-N 3.09Å; Q137-H139 VanDerWaalsContact C-N 3.3Å; Q137-H139 PolarHBondContact O-N 3.36Å; H139-K142 PolarHBondContact O-N 3.48Å; H139-R143 PolarHBondContact O-N 3.45Å |
| 140 | H | 91.8 | Very high | 83.2 | Confident | 106 Ų | 106 | 117.7 Ų | 117.7 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.3 | -47.5 | 174.2 | -75.8 | -70.4 | 0 | 0 | 0 | 111.9 | K136 Q137 K142 R143 F144 | K136-H140 PolarHBondContact O-CD2 2.95Å; K136-H140 PolarHBondContact O-N 3.32Å; Q137-H140 PolarHBondContact O-N 3.36Å; H140-K142 VanDerWaalsContact C-N 3.33Å; H140-K142 PolarHBondContact O-N 3.43Å; H140-R143 WeakPolarHBondContact O-CA 3.41Å; H140-R143 VanDerWaalsContact O-CB 3.31Å; H140-R143 WeakPolarHBondContact O-CB 3.36Å; H140-R143 PolarHBondContact O-N 3.45Å; H140-F144 WeakPolarHBondContact O-CD2 3.32Å; H140-F144 PolarHBondContact O-N 3.3Å |
| 141 | L | 90.7 | Very high | 81.3 | Confident | 99 Ų | 99 | 117.3 Ų | 117.3 | 52% | 0.518 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.9 | -43.5 | 175.8 | -70.2 | 172.2 | 0 | 0 | 0 | 111.6 | Q137 K138 R143 F144 H145 | Q137-L141 WeakPolarHBondContact O-CG 3.49Å; Q137-L141 PolarHBondContact O-N 3.01Å; K138-L141 PolarHBondContact O-N 3.27Å; L141-R143 PolarHBondContact O-N 2.93Å; L141-F144 PolarHBondContact O-N 2.99Å; L141-F144 VanDerWaalsContact O-N 3.12Å; L141-H145 PolarHBondContact O-CD2 3.42Å; L141-H145 PolarHBondContact O-N 2.99Å |
| 142 | K | 88.3 | Confident | 79.2 | Confident | 159 Ų | 159 | 114.9 Ų | 114.9 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.8 | -32.4 | 174.8 | -170.4 | 178.8 | 179.3 | -176 | 0 | 112.1 | K138 H139 H140 G146 | K138-K142 WeakPolarHBondContact O-CB 3.46Å; K138-K142 PolarHBondContact O-N 3.46Å; H139-K142 PolarHBondContact O-N 3.48Å; H140-K142 VanDerWaalsContact C-N 3.33Å; H140-K142 PolarHBondContact O-N 3.43Å; K142-G146 VanDerWaalsContact O-CA 3.31Å; K142-G146 WeakPolarHBondContact O-CA 3.32Å; K142-G146 PolarHBondContact O-N 2.75Å |
| 143 | R | 86.8 | Confident | 77.1 | Confident | 186 Ų | 186 | 119.2 Ų | 119.2 | 70% | 0.702 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.8 | -40.6 | 173.3 | -174.4 | -178.1 | 178.8 | 109 | -1.2 | 111.9 | H139 H140 L141 S147 | H139-R143 PolarHBondContact O-N 3.45Å; H140-R143 WeakPolarHBondContact O-CA 3.41Å; H140-R143 VanDerWaalsContact O-CB 3.31Å; H140-R143 WeakPolarHBondContact O-CB 3.36Å; H140-R143 PolarHBondContact O-N 3.45Å; L141-R143 PolarHBondContact O-N 2.93Å; R143-S147 WeakPolarHBondContact O-CB 3.38Å; R143-S147 PolarHBondContact O-N 3.21Å |
| 144 | F | 77.4 | Confident | 75.2 | Confident | 145 Ų | 145 | 122.2 Ų | 122.2 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.1 | -45.4 | 176.4 | -70.5 | -68.9 | 0 | 0 | 0 | 112.2 | H140 L141 S147 | H140-F144 WeakPolarHBondContact O-CD2 3.32Å; H140-F144 PolarHBondContact O-N 3.3Å; L141-F144 PolarHBondContact O-N 2.99Å; L141-F144 VanDerWaalsContact O-N 3.12Å; F144-S147 PolarHBondContact O-N 2.94Å |
| 145 | H | 72.3 | Confident | 73.6 | Confident | 137 Ų | 137 | 130 Ų | 130 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.3 | -34.1 | 179.9 | -66.8 | -63.2 | 0 | 0 | 0 | 113.1 | L141 S147 Y148 | L141-H145 PolarHBondContact O-CD2 3.42Å; L141-H145 PolarHBondContact O-N 2.99Å; H145-S147 PolarHBondContact O-N 3.46Å; H145-Y148 PolarHBondContact O-N 3.34Å |
| 146 | G | 59.8 | Low | 71.5 | Confident | 51 Ų | 51 | 135.1 Ų | 135.1 | 53% | 0.526 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.6 | -12.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | K142 | K142-G146 VanDerWaalsContact O-CA 3.31Å; K142-G146 WeakPolarHBondContact O-CA 3.32Å; K142-G146 PolarHBondContact O-N 2.75Å |
| 147 | S | 55.9 | Low | 69.9 | Low | 69 Ų | 69 | 134.5 Ų | 134.5 | 48% | 0.483 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -19.5 | 171.9 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | R143 F144 H145 | R143-S147 WeakPolarHBondContact O-CB 3.38Å; R143-S147 PolarHBondContact O-N 3.21Å; F144-S147 PolarHBondContact O-N 2.94Å; H145-S147 PolarHBondContact O-N 3.46Å |
| 148 | Y | 53.2 | Low | 68.7 | Low | 161 Ų | 161 | 136.1 Ų | 136.1 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -76.2 | -22.6 | -173 | -127.3 | -92.7 | 0 | 0 | 0 | 113.3 | H145 N152 | H145-Y148 PolarHBondContact O-N 3.34Å; Y148-N152 WeakPolarHBondContact CD1-ND2 3.41Å; Y148-N152 VanDerWaalsContact CE1-ND2 3.27Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.38Å |
| 149 | D | 54.6 | Low | 67.1 | Low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -14.1 | -174.6 | -105.3 | -19.1 | 0 | 0 | 0 | 114.9 | ||
| 150 | N | 53.6 | Low | 65.5 | Low | 150 Ų | 150 | 135.9 Ų | 135.9 | 80% | 0.802 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 4.7 | -171.9 | -73.8 | 13.7 | 0 | 0 | 0 | 115.2 | ||
| 151 | S | 57.3 | Low | 63.9 | Low | 83 Ų | 83 | 138.9 Ų | 138.9 | 58% | 0.58 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.1 | 1.2 | -179 | 67.1 | 0 | 0 | 0 | 0 | 117.6 | D153 | S151-D153 VanDerWaalsContact C-N 3.25Å; S151-D153 PolarHBondContact O-N 2.94Å; S151-D153 VanDerWaalsContact O-N 3.11Å |
| 152 | N | 53.4 | Low | 62 | Low | 77 Ų | 77 | 139.8 Ų | 139.8 | 41% | 0.412 | 71% | 0.708 | S | S | . | * | trans | -89.3 | 58.2 | 178.6 | -91.3 | -35.1 | 0 | 0 | 0 | 112.7 | Y148 Q154 | Y148-N152 WeakPolarHBondContact CD1-ND2 3.41Å; Y148-N152 VanDerWaalsContact CE1-ND2 3.27Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.38Å; N152-Q154 PolarHBondContact O-N 2.88Å | ||
| 153 | D | 53.5 | Low | 60.7 | Low | 162 Ų | 162 | 138 Ų | 138 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | -82.6 | 28.1 | 151.3 | -112.4 | -8.8 | 0 | 0 | 0 | 110.1 | S151 R155 | S151-D153 VanDerWaalsContact C-N 3.25Å; S151-D153 PolarHBondContact O-N 2.94Å; S151-D153 VanDerWaalsContact O-N 3.11Å; D153-R155 VanDerWaalsContact C-N 3.3Å; D153-R155 PolarHBondContact O-N 3.43Å | ||
| 154 | Q | 58.4 | Low | 59 | Low | 152 Ų | 152 | 136.9 Ų | 136.9 | 71% | 0.71 | 72% | 0.719 | S | S | * | * | trans | -86.1 | 80.2 | -179 | -155.1 | 130 | 65 | 0 | 0 | 108.9 | N152 F156 | N152-Q154 PolarHBondContact O-N 2.88Å; Q154-F156 PolarHBondContact O-N 2.84Å | ||
| 155 | R | 62.2 | Low | 57.5 | Low | 236 Ų | 236 | 133.3 Ų | 133.3 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | trans | 1.8 | 81.3 | 155.6 | -64.3 | -167.7 | -83.3 | 166.8 | -7.1 | 114.6 | D153 S157 | D153-R155 VanDerWaalsContact C-N 3.3Å; D153-R155 PolarHBondContact O-N 3.43Å; R155-S157 VanDerWaalsContact C-N 3.31Å; R155-S157 PolarHBondContact O-N 3.46Å | ||
| 156 | F | 51.6 | Low | 56.1 | Low | 195 Ų | 195 | 133.6 Ų | 133.6 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | -60.6 | 103.6 | 154.7 | -79.2 | -82.8 | 0 | 0 | 0 | 106.2 | Q154 M158 | Q154-F156 PolarHBondContact O-N 2.84Å; F156-M158 PolarHBondContact O-N 2.98Å | ||
| 157 | S | 61.4 | Low | 55.4 | Low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -57.2 | 122.4 | 171.3 | 44.4 | 0 | 0 | 0 | 0 | 107.8 | R155 | R155-S157 VanDerWaalsContact C-N 3.31Å; R155-S157 PolarHBondContact O-N 3.46Å | ||
| 158 | M | 70.8 | Confident | 54.9 | Low | 157 Ų | 157 | 142.4 Ų | 142.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -45.9 | 142.2 | 169.4 | -101.2 | -178.6 | 47.2 | 0 | 0 | 110.2 | F156 I160 | F156-M158 PolarHBondContact O-N 2.98Å; M158-I160 PolarHBondContact O-N 3.11Å; M158-I160 VanDerWaalsContact O-N 3.15Å | ||
| 159 | P | 62.1 | Low | 54.5 | Low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -56.8 | 123.1 | 171.2 | -17.6 | 29.1 | 0 | 0 | 0 | 109 | Q161 | P159-Q161 PolarHBondContact O-N 3.3Å; P159-Q161 VanDerWaalsContact O-N 3.1Å | ||
| 160 | I | 59.9 | Low | 54 | Low | 157 Ų | 157 | 140 Ų | 140 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -71.1 | 108.6 | 174.9 | -58.6 | 172.6 | 0 | 0 | 0 | 106.4 | M158 C162 | M158-I160 PolarHBondContact O-N 3.11Å; M158-I160 VanDerWaalsContact O-N 3.15Å; I160-C162 PolarHBondContact O-N 2.95Å | ||
| 161 | Q | 59 | Low | 53.3 | Low | 169 Ų | 169 | 141.8 Ų | 141.8 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -68.1 | 114.6 | 166.3 | -75.5 | 177.8 | -34.8 | 0 | 0 | 107.7 | P159 T163 | P159-Q161 PolarHBondContact O-N 3.3Å; P159-Q161 VanDerWaalsContact O-N 3.1Å; Q161-T163 PolarHBondContact O-N 3.48Å; Q161-T163 VanDerWaalsContact O-N 3.09Å | ||
| 162 | C | 50.9 | Low | 53 | Low | 117 Ų | 117 | 143.8 Ų | 143.8 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -70.4 | 100.9 | 167.6 | -58.7 | 0 | 0 | 0 | 0 | 107.9 | I160 | I160-C162 PolarHBondContact O-N 2.95Š| ||
| 163 | T | 60.2 | Low | 52 | Low | 123 Ų | 123 | 148.3 Ų | 148.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -102.6 | 111.9 | 159 | 45 | 0 | 0 | 0 | 0 | 108.2 | Q161 G165 | Q161-T163 PolarHBondContact O-N 3.48Å; Q161-T163 VanDerWaalsContact O-N 3.09Å; T163-G165 PolarHBondContact O-N 3.25Å | ||
| 164 | D | 51.9 | Low | 51.6 | Low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -64.1 | 102.6 | 168.7 | -64.1 | -27.8 | 0 | 0 | 0 | 107.9 | ||||
| 165 | G | 46.4 | Very low | 50.8 | Low | 69 Ų | 69 | 145.3 Ų | 145.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -89.1 | 110.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T163 | T163-G165 PolarHBondContact O-N 3.25Š| ||
| 166 | T | 41.6 | Very low | 49.5 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -72.6 | 130.5 | 150.7 | -7.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 167 | V | 45.5 | Very low | 48.7 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -59.5 | 128.5 | 177.6 | -161.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 168 | E | 45.1 | Very low | 47.8 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -176.3 | 150.9 | 136.9 | -91.2 | -43.8 | 114.6 | 0 | 0 | 110.1 | ||||
| 169 | A | 45.6 | Very low | 45.9 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -94.4 | 167.3 | -147.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 170 | E | 42.7 | Very low | 44.9 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 54 | 109 | 150.5 | -75.2 | -166.1 | 144.8 | 0 | 0 | 121.4 | ||||
| 171 | R | 39.2 | Very low | 43.8 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | 158.7 | 130.8 | 106.3 | -174.3 | 172.3 | -75.6 | 150.8 | -0.6 | 111.1 | F173 | R171-F173 HydrophobicContact CB-CE2 4.5Å; R171-F173 HydrophobicContact CG-CE2 4.22Å | |||
| 172 | P | 50.5 | Low | 43.1 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -75.8 | 133.6 | 177.8 | -11.5 | 27.3 | 0 | 0 | 0 | 112.5 | ||||
| 173 | F | 33.8 | Very low | 42.6 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -122.8 | 152.3 | 166.4 | -76.7 | -74.3 | 0 | 0 | 0 | 110.8 | R171 | R171-F173 HydrophobicContact CB-CE2 4.5Å; R171-F173 HydrophobicContact CG-CE2 4.22Å | ||
| 174 | P | 44.8 | Very low | 41.8 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -88.1 | 160.4 | -149.2 | 34.6 | -35.4 | 0 | 0 | 0 | 114.8 | ||||
| 175 | T | 42.5 | Very low | 41.3 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -66.2 | 138.4 | 174 | -32.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 176 | P | 34.9 | Very low | 40.9 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -102.9 | 113.7 | 155.4 | 24.2 | -8.9 | 0 | 0 | 0 | 111.2 | ||||
| 177 | L | 34.6 | Very low | 40.9 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | 9.2 | 119.1 | 144.4 | -67.9 | 160.3 | 0 | 0 | 0 | 119.3 | ||||
| 178 | R | 41.2 | Very low | 40.8 | Very low | 225 Ų | 225 | 143.3 Ų | 143.3 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | 36.1 | 108.7 | 127.8 | -60 | -90.1 | 174.8 | 121.2 | -2.8 | 116.9 | |||||
| 179 | L | 32.1 | Very low | 40.6 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -121.2 | 117.4 | 139.8 | -113 | 102.8 | 0 | 0 | 0 | 110.1 | ||||
| 180 | T | 40.5 | Very low | 40.5 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -69.6 | 120 | 171.7 | 44.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 181 | A | 37.8 | Very low | 40.7 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -149 | 110.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108 | V183 | A181-V183 PolarHBondContact O-N 3.04Š| ||
| 182 | D | 42.3 | Very low | 40.7 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -67.3 | 115.6 | 178.7 | -156.6 | 3.7 | 0 | 0 | 0 | 109.1 | ||||
| 183 | V | 41.4 | Very low | 40.8 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | trans | -134.6 | 95.1 | 169.2 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | A181 | A181-V183 PolarHBondContact O-N 3.04Š| ||
| 184 | L | 43.9 | Very low | 41.2 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 72% | 0.723 | 81% | 0.809 | S | S | * | * | trans | -61.7 | 138.1 | 161.5 | -90.8 | 130.7 | 0 | 0 | 0 | 110.3 | A186 | L184-A186 PolarHBondContact O-N 2.96Š| ||
| 185 | P | 40.5 | Very low | 41.5 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -77.7 | 111.5 | 168.5 | 29.7 | -28.9 | 0 | 0 | 0 | 109.5 | ||||
| 186 | A | 38.8 | Very low | 41.9 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | -90.5 | 152.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L184 | L184-A186 PolarHBondContact O-N 2.96Š| ||
| 187 | P | 41.3 | Very low | 42.5 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -81.8 | 142.9 | -163.3 | -7.4 | 26 | 0 | 0 | 0 | 114.2 | A189 | P187-A189 PolarHBondContact O-N 2.82Š| ||
| 188 | L | 43.2 | Very low | 43.5 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -75.8 | 80.3 | 175.1 | -62.5 | 175.5 | 0 | 0 | 0 | 111.8 | ||
| 189 | A | 41.6 | Very low | 44.1 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -159.1 | 113.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P187 | P187-A189 PolarHBondContact O-N 2.82Š| ||
| 190 | S | 42 | Very low | 45.2 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -151.8 | 121.6 | 153.8 | -162.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 191 | R | 48 | Very low | 46 | Very low | 250 Ų | 250 | 135.5 Ų | 135.5 | 94% | 0.943 | 76% | 0.763 | S | S | * | * | trans | -76.8 | 140.9 | 162.1 | -73.9 | 173.6 | 156.2 | 179.7 | -6.6 | 108.2 | ||||
| 192 | G | 39.9 | Very low | 46.9 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 127.5 | 125.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 193 | T | 51.3 | Low | 47.6 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | trans | -58.3 | 128 | -177.3 | 52.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 194 | S | 42.6 | Very low | 48.2 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | trans | -140.8 | 159.7 | 165.2 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | E196 | S194-E196 VanDerWaalsContact C-OE2 3.31Å; S194-E196 WeakPolarHBondContact CB-OE1 3.38Å; S194-E196 PolarHBondContact O-N 3.15Å; S194-E196 VanDerWaalsContact O-N 3.08Å; S194-E196 PolarHBondContact OG-OE1 3.02Å | ||
| 195 | R | 50.3 | Low | 48.9 | Very low | 242 Ų | 242 | 130.2 Ų | 130.2 | 91% | 0.913 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -85.8 | 60.3 | -155.4 | -166.9 | 172.7 | 91.7 | 170 | 7.4 | 112.6 | ||
| 196 | E | 50.7 | Low | 49.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 57% | 0.565 | 73% | 0.728 | S | S | * | * | trans | -129.7 | 23.3 | 176.7 | -46.2 | 81.3 | -151.3 | 0 | 0 | 113.7 | S194 R198 | S194-E196 VanDerWaalsContact C-OE2 3.31Å; S194-E196 WeakPolarHBondContact CB-OE1 3.38Å; S194-E196 PolarHBondContact O-N 3.15Å; S194-E196 VanDerWaalsContact O-N 3.08Å; S194-E196 PolarHBondContact OG-OE1 3.02Å; E196-R198 PolarHBondContact O-N 3.33Å | ||
| 197 | D | 47.6 | Very low | 50.5 | Low | 115 Ų | 115 | 135.2 Ų | 135.2 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -81.9 | -3.5 | -174.6 | -166 | 41.1 | 0 | 0 | 0 | 115 | ||
| 198 | R | 55.4 | Low | 51.2 | Low | 228 Ų | 228 | 133.2 Ų | 133.2 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -86 | -28.5 | 179.7 | -63 | -142.4 | -147.3 | -99.4 | 6.8 | 114.1 | E196 | E196-R198 PolarHBondContact O-N 3.33Å |
| 199 | D | 55.3 | Low | 52 | Low | 135 Ų | 135 | 129.6 Ų | 129.6 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -86.9 | -17.2 | 179.8 | -72.5 | -17.6 | 0 | 0 | 0 | 113 | S203 | D199-S203 PolarHBondContact O-OG 3.29Å; D199-S203 VanDerWaalsContact O-OG 3.07Å |
| 200 | L | 54.3 | Low | 53.1 | Low | 107 Ų | 107 | 133.6 Ų | 133.6 | 56% | 0.56 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -76 | -39.7 | 175.6 | -74.4 | 168 | 0 | 0 | 0 | 112.2 | D202 S203 L204 | L200-D202 VanDerWaalsContact C-N 3.33Å; L200-D202 PolarHBondContact O-N 2.97Å; L200-S203 PolarHBondContact O-N 3.47Å; L200-L204 WeakPolarHBondContact O-CG 3.43Å; L200-L204 PolarHBondContact O-N 3.49Å |
| 201 | V | 57.7 | Low | 53.6 | Low | 87 Ų | 87 | 136.2 Ų | 136.2 | 53% | 0.527 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -66 | -37.4 | -180 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | S203 L204 T205 | V201-S203 VanDerWaalsContact C-N 3.32Å; V201-S203 PolarHBondContact O-N 3.47Å; V201-L204 PolarHBondContact O-N 2.94Å; V201-T205 PolarHBondContact O-N 3.41Å; V201-T205 PolarHBondContact O-OG1 3.34Å; V201-T205 VanDerWaalsContact O-OG1 3.09Å |
| 202 | D | 56.9 | Low | 54.1 | Low | 124 Ų | 124 | 129.7 Ų | 129.7 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.5 | -31.7 | 179 | -148.2 | 19.1 | 0 | 0 | 0 | 112.1 | L200 T205 | L200-D202 VanDerWaalsContact C-N 3.33Å; L200-D202 PolarHBondContact O-N 2.97Å; D202-T205 PolarHBondContact O-N 2.89Å; D202-T205 PolarHBondContact O-OG1 3.45Å |
| 203 | S | 56.8 | Low | 54.8 | Low | 70 Ų | 70 | 130.4 Ų | 130.4 | 49% | 0.49 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -70.5 | -29.8 | 174.1 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | D199 L200 V201 K206 L207 | D199-S203 PolarHBondContact O-OG 3.29Å; D199-S203 VanDerWaalsContact O-OG 3.07Å; L200-S203 PolarHBondContact O-N 3.47Å; V201-S203 VanDerWaalsContact C-N 3.32Å; V201-S203 PolarHBondContact O-N 3.47Å; S203-K206 PolarHBondContact O-N 3.32Å; S203-L207 PolarHBondContact O-N 2.91Å |
| 204 | L | 54.3 | Low | 55.1 | Low | 116 Ų | 116 | 128.4 Ų | 128.4 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.7 | -28.7 | 177.6 | -70.1 | 173.1 | 0 | 0 | 0 | 112.6 | L200 V201 K206 L207 | L200-L204 WeakPolarHBondContact O-CG 3.43Å; L200-L204 PolarHBondContact O-N 3.49Å; V201-L204 PolarHBondContact O-N 2.94Å; L204-K206 VanDerWaalsContact C-N 3.26Å; L204-K206 PolarHBondContact O-N 3.43Å; L204-L207 HydrophobicContact CD2-CD1 4.46Å; L204-L207 PolarHBondContact O-N 2.96Å |
| 205 | T | 59 | Low | 55.7 | Low | 90 Ų | 90 | 131 Ų | 131 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -64.5 | -33 | 172.9 | -11.3 | 0 | 0 | 0 | 0 | 111.9 | V201 D202 L207 S208 | V201-T205 PolarHBondContact O-N 3.41Å; V201-T205 PolarHBondContact O-OG1 3.34Å; V201-T205 VanDerWaalsContact O-OG1 3.09Å; D202-T205 PolarHBondContact O-N 2.89Å; D202-T205 PolarHBondContact O-OG1 3.45Å; T205-L207 VanDerWaalsContact C-N 3.32Å; T205-S208 PolarHBondContact O-OG 3.09Å |
| 206 | K | 57.8 | Low | 55.9 | Low | 197 Ų | 197 | 127.3 Ų | 127.3 | 86% | 0.857 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -12.8 | 176.2 | -151.4 | 176.4 | -176.5 | -179.2 | 0 | 113.8 | S203 L204 | S203-K206 PolarHBondContact O-N 3.32Å; L204-K206 VanDerWaalsContact C-N 3.26Å; L204-K206 PolarHBondContact O-N 3.43Å |
| 207 | L | 53.5 | Low | 55.8 | Low | 122 Ų | 122 | 125.3 Ų | 125.3 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 6.9 | 175.2 | -94.3 | 156.2 | 0 | 0 | 0 | 113.2 | S203 L204 T205 V209 | S203-L207 PolarHBondContact O-N 2.91Å; L204-L207 HydrophobicContact CD2-CD1 4.46Å; L204-L207 PolarHBondContact O-N 2.96Å; T205-L207 VanDerWaalsContact C-N 3.32Å; L207-V209 VanDerWaalsContact C-N 3.27Å; L207-V209 PolarHBondContact O-N 3.06Å |
| 208 | S | 56.4 | Low | 56.1 | Low | 83 Ų | 83 | 127.7 Ų | 127.7 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | trans | -71 | 82.8 | 172.8 | 61.2 | 0 | 0 | 0 | 0 | 111 | T205 K210 | T205-S208 PolarHBondContact O-OG 3.09Å; S208-K210 PolarHBondContact O-N 3.12Å | ||
| 209 | V | 59.8 | Low | 55.9 | Low | 105 Ų | 105 | 124.2 Ų | 124.2 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | trans | -70.3 | 98.7 | 168.6 | -173.9 | 0 | 0 | 0 | 0 | 107.4 | L207 F211 | L207-V209 VanDerWaalsContact C-N 3.27Å; L207-V209 PolarHBondContact O-N 3.06Å; V209-F211 HydrophobicContact CB-CE2 4.29Å; V209-F211 HydrophobicContact CG1-CD2 3.95Å; V209-F211 HydrophobicContact CG1-CE2 3.5Å; V209-F211 VanDerWaalsContact CG1-CE2 3.5Å; V209-F211 HydrophobicContact CG1-CZ 4.05Å; V209-F211 PolarHBondContact O-N 2.9Å | ||
| 210 | K | 66.2 | Low | 55.9 | Low | 179 Ų | 179 | 123.9 Ų | 123.9 | 78% | 0.778 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 118.1 | 169.6 | -119.2 | 125.8 | 173.2 | 178.8 | 0 | 108.2 | S208 | S208-K210 PolarHBondContact O-N 3.12Š|
| 211 | F | 51.8 | Low | 55.8 | Low | 177 Ų | 177 | 127.6 Ų | 127.6 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -95.5 | 133.6 | 161.7 | -77.1 | -87.9 | 0 | 0 | 0 | 108.1 | V209 | V209-F211 HydrophobicContact CB-CE2 4.29Å; V209-F211 HydrophobicContact CG1-CD2 3.95Å; V209-F211 HydrophobicContact CG1-CE2 3.5Å; V209-F211 VanDerWaalsContact CG1-CE2 3.5Å; V209-F211 HydrophobicContact CG1-CZ 4.05Å; V209-F211 PolarHBondContact O-N 2.9Å |
| 212 | P | 57.3 | Low | 55.6 | Low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | S | Bend | cis | -88.2 | 162.3 | 5.5 | 32.5 | -25.1 | 0 | 0 | 0 | 113.2 | ||
| 213 | P | 55.5 | Low | 55.1 | Low | 89 Ų | 89 | 129.5 Ų | 129.5 | 58% | 0.578 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 149.2 | -177 | 23.7 | -33.2 | 0 | 0 | 0 | 112.9 | ||
| 214 | P | 57.8 | Low | 54.6 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.8 | 175.5 | 25.7 | -31.3 | 0 | 0 | 0 | 111 | D216 | P214-D216 PolarHBondContact O-N 3.25Š|
| 215 | T | 55.9 | Low | 54.3 | Low | 140 Ų | 140 | 130.5 Ų | 130.5 | 86% | 0.859 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 5.9 | -169.6 | -20.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 216 | D | 54.1 | Low | 53.8 | Low | 163 Ų | 163 | 132.1 Ų | 132.1 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 15.2 | -170.1 | -66.3 | -17.9 | 0 | 0 | 0 | 113.9 | P214 | P214-D216 PolarHBondContact O-N 3.25Š|
| 217 | S | 49.1 | Very low | 53.2 | Low | 79 Ų | 79 | 130.5 Ų | 130.5 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -117.2 | 88.5 | 166.3 | 166.5 | 0 | 0 | 0 | 0 | 108.1 | Y219 | S217-Y219 PolarHBondContact O-N 3.29Š|
| 218 | E | 53.1 | Low | 52.9 | Low | 166 Ų | 166 | 135.6 Ų | 135.6 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -52.8 | 106 | 168.5 | 54.8 | -167 | 177.8 | 0 | 0 | 109.9 | D220 | E218-D220 PolarHBondContact O-N 3.09Š| ||
| 219 | Y | 51.4 | Low | 52.1 | Low | 155 Ų | 155 | 138.2 Ų | 138.2 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -72.4 | 91.5 | 176.9 | -99.2 | -99.4 | 0 | 0 | 0 | 109.1 | S217 F221 L222 | S217-Y219 PolarHBondContact O-N 3.29Å; Y219-F221 HydrophobicContact CD1-CB 4.36Å; Y219-F221 PolarHBondContact O-N 2.88Å; Y219-L222 PolarHBondContact O-N 3.36Å; Y219-L222 VanDerWaalsContact O-N 3.15Å | ||
| 220 | D | 55 | Low | 51.2 | Low | 128 Ų | 128 | 141.3 Ų | 141.3 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -11.2 | 170.4 | -94.8 | -18.7 | 0 | 0 | 0 | 113.6 | E218 L222 | E218-D220 PolarHBondContact O-N 3.09Å; D220-L222 VanDerWaalsContact C-N 3.31Å; D220-L222 PolarHBondContact O-N 3.1Å |
| 221 | F | 53.3 | Low | 49.9 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -20.8 | 175.6 | -167.4 | -104 | 0 | 0 | 0 | 113.6 | Y219 | Y219-F221 HydrophobicContact CD1-CB 4.36Å; Y219-F221 PolarHBondContact O-N 2.88Å |
| 222 | L | 51.6 | Low | 49 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -6.8 | 179.6 | -64.5 | -179 | 0 | 0 | 0 | 113.9 | Y219 D220 S224 | Y219-L222 PolarHBondContact O-N 3.36Å; Y219-L222 VanDerWaalsContact O-N 3.15Å; D220-L222 VanDerWaalsContact C-N 3.31Å; D220-L222 PolarHBondContact O-N 3.1Å; L222-S224 PolarHBondContact O-N 3.01Å |
| 223 | N | 48 | Very low | 48.3 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 60% | 0.604 | 74% | 0.74 | S | S | * | * | trans | -95.2 | 82.9 | 173.6 | -66.1 | -38.9 | 0 | 0 | 0 | 109.4 | A225 | N223-A225 PolarHBondContact O-N 3.44Š| ||
| 224 | S | 46 | Very low | 47.2 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -59.2 | 107.2 | 156.7 | -66.4 | 0 | 0 | 0 | 0 | 107.2 | L222 | L222-S224 PolarHBondContact O-N 3.01Š| ||
| 225 | A | 48.8 | Very low | 45.9 | Very low | 88 Ų | 88 | 136.2 Ų | 136.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -54.3 | 134.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | N223 E227 | N223-A225 PolarHBondContact O-N 3.44Å; A225-E227 PolarHBondContact O-N 3.45Å | ||
| 226 | P | 47.7 | Very low | 44.9 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | -63 | 119.6 | 169.8 | -15.8 | 28.3 | 0 | 0 | 0 | 109.8 | ||||
| 227 | E | 46.1 | Very low | 44 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 30.7 | 93.2 | 148 | -157.5 | 161.4 | -150.2 | 0 | 0 | 117.3 | A225 N229 | A225-E227 PolarHBondContact O-N 3.45Å; E227-N229 PolarHBondContact O-N 2.98Å; E227-N229 VanDerWaalsContact O-N 3.14Å | ||
| 228 | R | 45.3 | Very low | 43.5 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -76.7 | 97.7 | 161.2 | -75.8 | -173.7 | 76.9 | 118.3 | -1.3 | 109.5 | I230 | R228-I230 PolarHBondContact O-N 2.9Š| ||
| 229 | N | 40.3 | Very low | 43.2 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -54.4 | 102.5 | 159 | -62.2 | -80.1 | 0 | 0 | 0 | 109.2 | E227 G231 | E227-N229 PolarHBondContact O-N 2.98Å; E227-N229 VanDerWaalsContact O-N 3.14Å; N229-G231 VanDerWaalsContact C-N 3.25Å; N229-G231 PolarHBondContact O-N 3.27Å | ||
| 230 | I | 41.2 | Very low | 42.4 | Very low | 169 Ų | 169 | 142 Ų | 142 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -74.5 | 87.6 | 166.2 | -62 | 123 | 0 | 0 | 0 | 106.6 | R228 | R228-I230 PolarHBondContact O-N 2.9Š| ||
| 231 | G | 39.1 | Very low | 41.1 | Very low | 55 Ų | 55 | 139.5 Ų | 139.5 | 57% | 0.567 | 78% | 0.779 | S | S | * | * | trans | -82.9 | 137.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N229 | N229-G231 VanDerWaalsContact C-N 3.25Å; N229-G231 PolarHBondContact O-N 3.27Å | ||
| 232 | L | 33.4 | Very low | 39.9 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | 162.9 | 153.4 | 138.4 | -86 | 167.3 | 0 | 0 | 0 | 109.9 | ||||
| 233 | P | 42.2 | Very low | 39.9 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -129.9 | 162.7 | -73.2 | 34.3 | -16.4 | 0 | 0 | 0 | 112.1 | |||||
| 234 | V | 32.7 | Very low | 38.9 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -165.3 | 121.9 | 143.7 | 160.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 235 | A | 30.3 | Very low | 38.3 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 37.8 | 116.2 | 147 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 236 | R | 34.3 | Very low | 38.1 | Very low | 237 Ų | 237 | 138 Ų | 138 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | 30.7 | 130.9 | 129.7 | -71.8 | -178.4 | 173.7 | 174.6 | -0.7 | 118.2 | |||||
| 237 | K | 35.6 | Very low | 37.3 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | -170.8 | 168.9 | 35.6 | -111.5 | 173 | -179.4 | -176.5 | 0 | 110.1 | ||||
| 238 | P | 38.3 | Very low | 36.8 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -99.4 | -165.6 | -169.2 | 43.3 | -36.3 | 0 | 0 | 0 | 113.3 | ||||
| 239 | P | 47.9 | Very low | 36.4 | Very low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -132.2 | -177.9 | 3.4 | 36.3 | -12.6 | 0 | 0 | 0 | 114.1 | ||||
| 240 | L | 32.6 | Very low | 37.2 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | 170.8 | 144.6 | 67.9 | -167.4 | 69.9 | 0 | 0 | 0 | 110.7 | |||||
| 241 | G | 29.2 | Very low | 37 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 119.8 | 100.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 242 | S | 28.5 | Very low | 36.9 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -121.5 | -178.3 | 149.8 | 63.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 243 | P | 49.9 | Very low | 37.3 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -129.7 | -174.6 | -5.3 | 28.8 | -4.9 | 0 | 0 | 0 | 111.8 | ||||
| 244 | T | 27.6 | Very low | 37.4 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | 169.1 | 135.6 | 93.4 | -55.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 245 | L | 32.6 | Very low | 37.9 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -77.9 | 175.5 | 162.7 | -95.2 | -173.4 | 0 | 0 | 0 | 110.6 | ||||
| 246 | P | 44.7 | Very low | 38.6 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | cis | -145.7 | 162.4 | 36.4 | 42.1 | -18.7 | 0 | 0 | 0 | 115.9 | ||||
| 247 | E | 31.2 | Very low | 38.8 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | 78.9 | 126.6 | 108.3 | -169.3 | 178.2 | 174.7 | 0 | 0 | 115.8 | |||||
| 248 | E | 35.8 | Very low | 38.6 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | 166.6 | 152.7 | 131.7 | -74 | -111.8 | 134.8 | 0 | 0 | 111.5 | ||||
| 249 | E | 37.2 | Very low | 38.8 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -95.5 | -167.6 | -155.5 | -127.1 | -154.8 | 122.3 | 0 | 0 | 114.2 | ||||
| 250 | P | 56.2 | Low | 38.4 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | trans | -114.8 | 170.9 | -143.1 | 38.3 | -18.2 | 0 | 0 | 0 | 114.7 | ||||
| 251 | V | 37.7 | Very low | 38.6 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -143.4 | 132.8 | 164.1 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 252 | E | 37.9 | Very low | 39.2 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | -85.1 | 147.5 | -177 | -82.6 | -174.4 | 150.5 | 0 | 0 | 115.5 | ||||
| 253 | L | 40.1 | Very low | 39.9 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 68.7 | 169.1 | 140 | -67.9 | 174.7 | 0 | 0 | 0 | 120.5 | ||||
| 254 | P | 45.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -141.1 | 147.5 | -18.1 | 25.9 | -2.6 | 0 | 0 | 0 | 117.7 | ||||
| 255 | L | 43.7 | Very low | 39.6 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 56.6 | 170.5 | 141.4 | -61.1 | 173.1 | 0 | 0 | 0 | 121 | ||||
| 256 | P | 43.9 | Very low | 39.5 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -133.9 | 173.5 | -2.2 | 31.9 | -8.7 | 0 | 0 | 0 | 116.9 | ||||
| 257 | F | 38.6 | Very low | 39.3 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -50.6 | 147 | 171.3 | -91.7 | -108 | 0 | 0 | 0 | 117.1 | Y259 | F257-Y259 AromaticContact CD1-CD2 3.98Å; F257-Y259 HydrophobicContact CD1-CD2 3.98Å; F257-Y259 AromaticContact CD1-CE2 3.7Å; F257-Y259 HydrophobicContact CD1-CE2 3.7Å; F257-Y259 HydrophobicContact CE1-CD2 4.47Å; F257-Y259 AromaticContact CE1-CE2 3.79Å; F257-Y259 HydrophobicContact CE1-CE2 3.79Å | ||
| 258 | V | 32.7 | Very low | 39.4 | Very low | 141 Ų | 141 | 140 Ų | 140 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -142.1 | 119.3 | 147.1 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 259 | Y | 41.2 | Very low | 39.7 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -75.6 | 154.7 | 171.1 | -88 | -94.7 | 0 | 0 | 0 | 111.6 | F257 | F257-Y259 AromaticContact CD1-CD2 3.98Å; F257-Y259 HydrophobicContact CD1-CD2 3.98Å; F257-Y259 AromaticContact CD1-CE2 3.7Å; F257-Y259 HydrophobicContact CD1-CE2 3.7Å; F257-Y259 HydrophobicContact CE1-CD2 4.47Å; F257-Y259 AromaticContact CE1-CE2 3.79Å; F257-Y259 HydrophobicContact CE1-CE2 3.79Å | ||
| 260 | P | 38.8 | Very low | 39.5 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -113.7 | 143.4 | 145.8 | 10.4 | 10.1 | 0 | 0 | 0 | 112.5 | ||||
| 261 | T | 37.6 | Very low | 39 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -57.7 | 153.2 | 178.7 | 13.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 262 | S | 42.3 | Very low | 39.2 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -49.7 | 156.5 | 175.8 | -44.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 263 | P | 42.7 | Very low | 39.3 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -123.4 | 140.4 | 142.7 | 19.6 | -0.5 | 0 | 0 | 0 | 113.3 | ||||
| 264 | S | 35.8 | Very low | 39.2 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -78 | 161.7 | 177.7 | -51 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 265 | H | 35 | Very low | 39 | Very low | 173 Ų | 173 | 133 Ų | 133 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 67.9 | 117.3 | 158.9 | -43.9 | -67.1 | 0 | 0 | 0 | 118.9 | ||||
| 266 | S | 31.1 | Very low | 39.3 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | 171.5 | 122.9 | 110 | -74.5 | 0 | 0 | 0 | 0 | 110.8 | S268 | S266-S268 PolarHBondContact O-N 2.93Š| |||
| 267 | S | 41.2 | Very low | 39.8 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | -64.7 | 118.5 | 167 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 268 | S | 31.8 | Very low | 40.9 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -121.1 | 105.4 | 170.2 | 165.3 | 0 | 0 | 0 | 0 | 108.3 | S266 | S266-S268 PolarHBondContact O-N 2.93Š| ||
| 269 | A | 42.7 | Very low | 42.1 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 136 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 270 | S | 34.1 | Very low | 42.6 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -162.4 | 153.8 | 157 | -82.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 271 | P | 45.4 | Very low | 43.5 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -116.8 | -178.6 | -136.4 | 38.8 | -26.7 | 0 | 0 | 0 | 114.7 | ||||
| 272 | S | 40.9 | Very low | 44.6 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 68.9 | 108.5 | 158.8 | 63.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 273 | H | 39.4 | Very low | 44.8 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | -151.8 | 103.4 | 120.3 | -99.1 | -75.2 | 0 | 0 | 0 | 109.2 | |||||
| 274 | E | 38.3 | Very low | 44.7 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -68 | 140.8 | 159.5 | -156 | 160 | 162.8 | 0 | 0 | 107 | ||||
| 275 | S | 41.9 | Very low | 45.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | -165.6 | 172.4 | 57.6 | -55.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 276 | V | 49.2 | Very low | 45.3 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 96 | 71.3 | 175.8 | -160.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 277 | R | 55.2 | Low | 45.9 | Very low | 240 Ų | 240 | 144.8 Ų | 144.8 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -149.1 | 143.4 | 151.2 | -149 | 164.1 | -74.4 | -109.7 | 0.4 | 109.3 | ||||
| 278 | G | 61.2 | Low | 46 | Very low | 54 Ų | 54 | 145.6 Ų | 145.6 | 56% | 0.557 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -59.2 | 174 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E280 | G278-E280 PolarHBondContact O-N 3.09Å; G278-E280 VanDerWaalsContact O-N 3.13Å |
| 279 | P | 58 | Low | 46.4 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -46.5 | 121.8 | -171.8 | 14.7 | -28.4 | 0 | 0 | 0 | 111.5 | Q281 | P279-Q281 PolarHBondContact O-N 3.47Š|
| 280 | E | 52.5 | Low | 46.3 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -59.8 | 113.3 | -179.1 | -69.5 | -156.4 | 131.9 | 0 | 0 | 109.1 | G278 | G278-E280 PolarHBondContact O-N 3.09Å; G278-E280 VanDerWaalsContact O-N 3.13Å | ||
| 281 | Q | 57 | Low | 46.4 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -71.8 | 131.4 | 169.4 | -65.7 | -161 | -41.3 | 0 | 0 | 108.2 | P279 R283 | P279-Q281 PolarHBondContact O-N 3.47Å; Q281-R283 PolarHBondContact O-N 3.48Å | ||
| 282 | P | 60.1 | Low | 46 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -57.6 | 117.6 | 174 | 22.5 | -30.5 | 0 | 0 | 0 | 108.1 | W284 | P282-W284 PolarHBondContact O-N 2.78Š| ||
| 283 | R | 47.6 | Very low | 46.1 | Very low | 234 Ų | 234 | 152.6 Ų | 152.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -65.6 | 106.9 | 175.7 | -68.6 | -177.3 | -179.2 | -115.2 | 2.7 | 107.3 | Q281 T285 | Q281-R283 PolarHBondContact O-N 3.48Å; R283-T285 PolarHBondContact O-N 3.47Å; R283-T285 VanDerWaalsContact O-N 3.12Å | ||
| 284 | W | 40.1 | Very low | 46.1 | Very low | 227 Ų | 227 | 152 Ų | 152 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -64 | 115.1 | 172.6 | -138.1 | 74.4 | 0 | 0 | 0 | 108.1 | P282 P286 | P282-W284 PolarHBondContact O-N 2.78Å; W284-P286 HydrophobicContact CE3-CG 4.19Å; W284-P286 HydrophobicContact CZ3-CB 4.5Å; W284-P286 HydrophobicContact CZ3-CG 4.08Å | ||
| 285 | T | 43.6 | Very low | 45.8 | Very low | 119 Ų | 119 | 147 Ų | 147 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -117.9 | 117.9 | 170.2 | 22.3 | 0 | 0 | 0 | 0 | 106.1 | R283 E287 | R283-T285 PolarHBondContact O-N 3.47Å; R283-T285 VanDerWaalsContact O-N 3.12Å; T285-E287 PolarHBondContact O-N 3Å | ||
| 286 | P | 41 | Very low | 45.8 | Very low | 85 Ų | 85 | 146.6 Ų | 146.6 | 55% | 0.552 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 121.7 | 169.9 | -14.9 | 28.6 | 0 | 0 | 0 | 107.9 | W284 L288 | W284-P286 HydrophobicContact CE3-CG 4.19Å; W284-P286 HydrophobicContact CZ3-CB 4.5Å; W284-P286 HydrophobicContact CZ3-CG 4.08Å; P286-L288 PolarHBondContact O-N 3.32Å | ||
| 287 | E | 42.3 | Very low | 45.2 | Very low | 192 Ų | 192 | 147 Ų | 147 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -61.9 | 101.4 | 164.7 | -79.7 | -179.2 | 156.9 | 0 | 0 | 107.3 | T285 C289 | T285-E287 PolarHBondContact O-N 3Å; E287-C289 PolarHBondContact O-N 2.95Å | ||
| 288 | L | 42.9 | Very low | 44.4 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -73.4 | 112.6 | 162.2 | -88.6 | 104.2 | 0 | 0 | 0 | 106.7 | P286 D290 | P286-L288 PolarHBondContact O-N 3.32Å; L288-D290 PolarHBondContact O-N 3.28Å | ||
| 289 | C | 41.9 | Very low | 43.2 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -55.6 | 127.7 | 167.2 | -62.7 | 0 | 0 | 0 | 0 | 109.4 | E287 A291 | E287-C289 PolarHBondContact O-N 2.95Å; C289-A291 PolarHBondContact O-N 2.68Å | ||
| 290 | D | 39.7 | Very low | 42.5 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -58.3 | 119.8 | 177.7 | -76 | -44 | 0 | 0 | 0 | 110.8 | L288 V292 | L288-D290 PolarHBondContact O-N 3.28Å; D290-V292 PolarHBondContact O-N 3.47Å | ||
| 291 | A | 35.7 | Very low | 42.2 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -75.5 | 102.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | C289 | C289-A291 PolarHBondContact O-N 2.68Š| ||
| 292 | V | 38.5 | Very low | 42.1 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 128.4 | 166.7 | -112.1 | 0 | 0 | 0 | 0 | 109.6 | D290 M294 | D290-V292 PolarHBondContact O-N 3.47Å; V292-M294 PolarHBondContact O-N 3.08Å | ||
| 293 | D | 41.6 | Very low | 41.8 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -58.7 | 112.5 | 173.6 | -177.1 | 22.6 | 0 | 0 | 0 | 111.5 | ||||
| 294 | M | 39.4 | Very low | 42.6 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | trans | -151.2 | 119.8 | 159.7 | -81.5 | -62.7 | 178.5 | 0 | 0 | 111.1 | V292 | V292-M294 PolarHBondContact O-N 3.08Š| ||
| 295 | G | 33.3 | Very low | 44 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 13.8 | 141 | 148 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 296 | A | 40.8 | Very low | 45.7 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -47.6 | 153.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 297 | D | 37.3 | Very low | 47.7 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 103.1 | 107.7 | 166.5 | -60.6 | -33.7 | 0 | 0 | 0 | 118.3 | ||||
| 298 | Q | 37.9 | Very low | 49.8 | Very low | 182 Ų | 182 | 119.3 Ų | 119.3 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | trans | 86.2 | 132.1 | 152.2 | -63.6 | 178.1 | 49.5 | 0 | 0 | 121.9 | ||||
| 299 | E | 37 | Very low | 51.7 | Low | 166 Ų | 166 | 116.6 Ų | 116.6 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | 70.9 | 138.5 | 163.3 | -79.1 | -82 | 122.8 | 0 | 0 | 119.6 | L301 | E299-L301 PolarHBondContact O-N 3.13Š| ||
| 300 | P | 41.9 | Very low | 53.6 | Low | 109 Ų | 109 | 116.6 Ų | 116.6 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | trans | -73.1 | 100.4 | -173.8 | 29.7 | -31.4 | 0 | 0 | 0 | 111.3 | S302 | P300-S302 PolarHBondContact O-N 3.15Š| ||
| 301 | L | 47.4 | Very low | 55.7 | Low | 162 Ų | 162 | 110.3 Ų | 110.3 | 85% | 0.848 | 66% | 0.66 | S | S | * | * | trans | -65.7 | 94.1 | 165.3 | -104.3 | 86.3 | 0 | 0 | 0 | 110.3 | E299 | E299-L301 PolarHBondContact O-N 3.13Š| ||
| 302 | S | 54.3 | Low | 57.8 | Low | 68 Ų | 68 | 111.6 Ų | 111.6 | 48% | 0.476 | 66% | 0.659 | S | S | . | * | trans | -143.3 | 53.2 | 155.5 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | P300 | P300-S302 PolarHBondContact O-N 3.15Š| ||
| 303 | S | 54.6 | Low | 59.8 | Low | 86 Ų | 86 | 109 Ų | 109 | 60% | 0.601 | 64% | 0.641 | S | S | * | * | trans | -108.5 | 15.4 | -178 | 55.9 | 0 | 0 | 0 | 0 | 113 | P305 | S303-P305 WeakPolarHBondContact O-CD 3.32Š| ||
| 304 | C | 63.2 | Low | 61.7 | Low | 102 Ų | 102 | 107.1 Ų | 107.1 | 69% | 0.689 | 63% | 0.63 | S | S | * | * | trans | -68.7 | 117.4 | 173.3 | -130.8 | 0 | 0 | 0 | 0 | 108.5 | V306 | C304-V306 PolarHBondContact O-N 2.86Š| ||
| 305 | P | 70.3 | Confident | 63.7 | Low | 74 Ų | 74 | 99 Ų | 99 | 48% | 0.481 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.4 | 177 | -13.1 | 29.1 | 0 | 0 | 0 | 108.9 | S303 L314 | S303-P305 WeakPolarHBondContact O-CD 3.32Å; P305-L314 HydrophobicContact CB-CB 4Å |
| 306 | V | 78.6 | Confident | 66.2 | Low | 64 Ų | 64 | 97.7 Ų | 97.7 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.3 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | C304 C308 V315 M320 | C304-V306 PolarHBondContact O-N 2.86Å; V306-C308 PolarHBondContact O-N 2.62Å; V306-V315 PolarHBondContact N-O 2.97Å; V306-V315 PolarHBondContact O-N 3.47Å; V306-M320 HydrophobicContact CB-CE 3.7Å; V306-M320 HydrophobicContact CG1-CE 3.89Å; V306-M320 WeakPolarHBondContact O-CE 3.25Å |
| 307 | E | 83.8 | Confident | 68 | Low | 154 Ų | 154 | 97.9 Ų | 97.9 | 72% | 0.72 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.8 | 131 | 175.5 | -73.2 | -179.3 | 176.6 | 0 | 0 | 110.4 | L314 | E307-L314 HydrophobicContact CG-CD2 3.46Å; E307-L314 VanDerWaalsContact CG-CD2 3.46Å |
| 308 | C | 85.6 | Confident | 70 | Confident | 10 Ų | 10 | 96.3 Ų | 96.3 | 7% | 0.068 | 55% | 0.545 | C | S | . | . | trans | -73.3 | 135.7 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | V306 F310 D313 V315 H323 | V306-C308 PolarHBondContact O-N 2.62Å; C308-F310 PolarHBondContact O-N 3.42Å; C308-F310 PolarHBondContact SG-N 2.94Å; C308-F310 VanDerWaalsContact SG-N 3.42Å; C308-D313 PolarHBondContact N-O 3.27Å; C308-V315 HydrophobicContact CB-CG2 4.49Å; C308-H323 PolarHBondContact SG-CD2 3.19Å; C308-H323 PolarHBondContact SG-NE2 3.42Å | ||
| 309 | A | 83.4 | Confident | 72.2 | Confident | 97 Ų | 97 | 91.6 Ų | 91.6 | 80% | 0.802 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -69.2 | -11.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 310 | F | 81.8 | Confident | 74.5 | Confident | 124 Ų | 124 | 84.9 Ų | 84.9 | 54% | 0.544 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -113.2 | -14.2 | -172.5 | -59.4 | -83.8 | 0 | 0 | 0 | 113.7 | C308 L324 H327 F328 | C308-F310 PolarHBondContact O-N 3.42Å; C308-F310 PolarHBondContact SG-N 2.94Å; C308-F310 VanDerWaalsContact SG-N 3.42Å; F310-L324 HydrophobicContact CD2-CD2 3.46Å; F310-L324 VanDerWaalsContact CD2-CD2 3.46Å; F310-L324 HydrophobicContact CE2-CD2 3.53Å; F310-H327 HydrophobicContact CB-CB 4.49Å; F310-F328 HydrophobicContact CZ-CZ 4.37Å |
| 311 | C | 84.1 | Confident | 76.5 | Confident | 25 Ų | 25 | 85.1 Ų | 85.1 | 17% | 0.169 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -153.5 | 160.4 | 175.5 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | D313 H323 H327 | C311-D313 PolarHBondContact O-N 3.23Å; C311-D313 PolarHBondContact SG-OD2 3.26Å; C311-H323 PolarHBondContact SG-CE1 3.29Å; C311-H323 PolarHBondContact SG-NE2 2.88Å; C311-H327 PolarHBondContact SG-CE1 3.03Å; C311-H327 PolarHBondContact SG-NE2 2.99Å |
| 312 | P | 78.6 | Confident | 78.3 | Confident | 131 Ų | 131 | 80.7 Ų | 80.7 | 85% | 0.851 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -72.7 | 16.6 | 179.1 | 32 | -37.8 | 0 | 0 | 0 | 114.2 | ||
| 313 | D | 80.8 | Confident | 80 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 47% | 0.465 | 46% | 0.46 | S | S | . | . | trans | -82.3 | 132.5 | -177.7 | -60.3 | -35.8 | 0 | 0 | 0 | 110.6 | C308 C311 V315 H323 | C308-D313 PolarHBondContact N-O 3.27Å; C311-D313 PolarHBondContact O-N 3.23Å; C311-D313 PolarHBondContact SG-OD2 3.26Å; D313-V315 HydrophobicContact CB-CG2 4.21Å; D313-H323 IonicContact OD2-CE1 3.66Å | ||
| 314 | L | 82.4 | Confident | 81.6 | Confident | 113 Ų | 113 | 77 Ų | 77 | 59% | 0.592 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 113.5 | 170.7 | -69.9 | 170.7 | 0 | 0 | 0 | 108.9 | P305 E307 | P305-L314 HydrophobicContact CB-CB 4Å; E307-L314 HydrophobicContact CG-CD2 3.46Å; E307-L314 VanDerWaalsContact CG-CD2 3.46Å |
| 315 | V | 81.6 | Confident | 82.7 | Confident | 10 Ų | 10 | 80.1 Ų | 80.1 | 6% | 0.061 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.6 | -172.7 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | V306 C308 D313 Q317 L319 M320 H323 | V306-V315 PolarHBondContact N-O 2.97Å; V306-V315 PolarHBondContact O-N 3.47Å; C308-V315 HydrophobicContact CB-CG2 4.49Å; D313-V315 HydrophobicContact CB-CG2 4.21Å; V315-Q317 PolarHBondContact O-N 3.05Å; V315-L319 HydrophobicContact CG1-CB 3.98Å; V315-M320 HydrophobicContact CB-CE 3.96Å; V315-M320 HydrophobicContact CB-SD 4.42Å; V315-H323 HydrophobicContact CG1-CB 3.83Å; V315-H323 HydrophobicContact CG2-CB 4.22Å |
| 316 | P | 84.4 | Confident | 83.4 | Confident | 45 Ų | 45 | 82.3 Ų | 82.3 | 29% | 0.292 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 139 | 171.9 | -27.9 | 37 | 0 | 0 | 0 | 111.9 | N318 L319 M320 | P316-N318 WeakPolarHBondContact CB-OD1 3.43Å; P316-N318 PolarHBondContact O-N 3.42Å; P316-N318 VanDerWaalsContact O-N 3.09Å; P316-L319 HydrophobicContact CB-CD1 4.47Å; P316-L319 HydrophobicContact CG-CD1 4.34Å; P316-L319 CarbonylContact O-C 3.59Å; P316-L319 WeakPolarHBondContact O-CA 3.46Å; P316-L319 PolarHBondContact O-N 3.3Å; P316-M320 PolarHBondContact O-N 3.44Å; P316-M320 VanDerWaalsContact O-N 3.16Å |
| 317 | Q | 79.7 | Confident | 83.7 | Confident | 98 Ų | 98 | 82.7 Ų | 82.7 | 46% | 0.458 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -52.9 | -36.4 | -175.3 | -172.9 | 67 | 6.9 | 0 | 0 | 113.5 | V315 L319 M320 | V315-Q317 PolarHBondContact O-N 3.05Å; Q317-L319 VanDerWaalsContact C-N 3.25Å; Q317-L319 PolarHBondContact O-N 3.46Å; Q317-M320 PolarHBondContact O-N 3.17Å |
| 318 | N | 79.3 | Confident | 83.5 | Confident | 115 Ų | 115 | 82.3 Ų | 82.3 | 62% | 0.615 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -70.4 | -15.7 | 177.5 | 65.7 | -33.3 | 0 | 0 | 0 | 114.4 | P316 | P316-N318 WeakPolarHBondContact CB-OD1 3.43Å; P316-N318 PolarHBondContact O-N 3.42Å; P316-N318 VanDerWaalsContact O-N 3.09Å |
| 319 | L | 83.9 | Confident | 83.2 | Confident | 84 Ų | 84 | 85.9 Ų | 85.9 | 44% | 0.44 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -111 | -1.5 | 179.4 | -60.4 | 178.8 | 0 | 0 | 0 | 113 | V315 P316 Q317 T321 S322 H323 | V315-L319 HydrophobicContact CG1-CB 3.98Å; P316-L319 HydrophobicContact CB-CD1 4.47Å; P316-L319 HydrophobicContact CG-CD1 4.34Å; P316-L319 CarbonylContact O-C 3.59Å; P316-L319 WeakPolarHBondContact O-CA 3.46Å; P316-L319 PolarHBondContact O-N 3.3Å; Q317-L319 VanDerWaalsContact C-N 3.25Å; Q317-L319 PolarHBondContact O-N 3.46Å; L319-T321 VanDerWaalsContact C-N 3.29Å; L319-T321 PolarHBondContact O-N 3.19Å; L319-S322 PolarHBondContact O-N 3.26Å; L319-S322 PolarHBondContact O-OG 3.07Å; L319-H323 WeakPolarHBondContact O-CB 3.47Å; L319-H323 PolarHBondContact O-N 3.45Å |
| 320 | M | 85.3 | Confident | 82.2 | Confident | 25 Ų | 25 | 86.8 Ų | 86.8 | 12% | 0.123 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58 | -41.6 | -178.9 | -173.3 | 59.4 | 71.6 | 0 | 0 | 111.7 | V306 V315 P316 Q317 S322 H323 L324 | V306-M320 HydrophobicContact CB-CE 3.7Å; V306-M320 HydrophobicContact CG1-CE 3.89Å; V306-M320 WeakPolarHBondContact O-CE 3.25Å; V315-M320 HydrophobicContact CB-CE 3.96Å; V315-M320 HydrophobicContact CB-SD 4.42Å; P316-M320 PolarHBondContact O-N 3.44Å; P316-M320 VanDerWaalsContact O-N 3.16Å; Q317-M320 PolarHBondContact O-N 3.17Å; M320-S322 PolarHBondContact O-N 3.42Å; M320-H323 PolarHBondContact O-N 3.17Å; M320-L324 HydrophobicContact CG-CD1 4.16Å; M320-L324 HydrophobicContact CG-CG 4.38Å; M320-L324 WeakPolarHBondContact O-CB 3.39Å; M320-L324 VanDerWaalsContact O-CG 3.23Å; M320-L324 WeakPolarHBondContact O-CG 3.45Å; M320-L324 PolarHBondContact O-N 3.5Å; M320-L324 HydrophobicContact SD-CG 4.33Å |
| 321 | T | 84.1 | Confident | 81.2 | Confident | 113 Ų | 113 | 90 Ų | 90 | 69% | 0.693 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.6 | -40.6 | -177.7 | -28.2 | 0 | 0 | 0 | 0 | 112.8 | L319 Y325 | L319-T321 VanDerWaalsContact C-N 3.29Å; L319-T321 PolarHBondContact O-N 3.19Å; T321-Y325 PolarHBondContact O-N 2.84Å |
| 322 | S | 85.5 | Confident | 79.5 | Confident | 69 Ų | 69 | 98.5 Ų | 98.5 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.9 | -37.1 | 177.5 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | L319 M320 Y325 L326 | L319-S322 PolarHBondContact O-N 3.26Å; L319-S322 PolarHBondContact O-OG 3.07Å; M320-S322 PolarHBondContact O-N 3.42Å; S322-Y325 WeakPolarHBondContact O-CB 3.28Å; S322-Y325 PolarHBondContact O-N 3.39Å; S322-L326 PolarHBondContact O-N 3.37Å |
| 323 | H | 88.3 | Confident | 78.1 | Confident | 27 Ų | 27 | 101 Ų | 101 | 13% | 0.125 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 173.6 | 177.1 | 86.8 | 0 | 0 | 0 | 112.2 | C308 C311 D313 V315 L319 M320 Y325 L326 H327 | C308-H323 PolarHBondContact SG-CD2 3.19Å; C308-H323 PolarHBondContact SG-NE2 3.42Å; C311-H323 PolarHBondContact SG-CE1 3.29Å; C311-H323 PolarHBondContact SG-NE2 2.88Å; D313-H323 IonicContact OD2-CE1 3.66Å; V315-H323 HydrophobicContact CG1-CB 3.83Å; V315-H323 HydrophobicContact CG2-CB 4.22Å; L319-H323 WeakPolarHBondContact O-CB 3.47Å; L319-H323 PolarHBondContact O-N 3.45Å; M320-H323 PolarHBondContact O-N 3.17Å; H323-Y325 PolarHBondContact O-N 3.09Å; H323-L326 WeakPolarHBondContact O-CB 3.48Å; H323-L326 PolarHBondContact O-N 3.41Å; H323-H327 AromaticContact CD2-CD2 3.93Å; H323-H327 AromaticContact CD2-NE2 3.71Å; H323-H327 AromaticContact CE1-NE2 3.72Å; H323-H327 AromaticContact NE2-CD2 3.69Å; H323-H327 AromaticContact NE2-NE2 3Å; H323-H327 PolarHBondContact NE2-NE2 3.38Å |
| 324 | L | 89 | Confident | 76.4 | Confident | 50 Ų | 50 | 101.5 Ų | 101.5 | 26% | 0.262 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.2 | -38.7 | 174.8 | -73.7 | 175.1 | 0 | 0 | 0 | 111.6 | F310 M320 L326 H327 F328 | F310-L324 HydrophobicContact CD2-CD2 3.46Å; F310-L324 VanDerWaalsContact CD2-CD2 3.46Å; F310-L324 HydrophobicContact CE2-CD2 3.53Å; M320-L324 HydrophobicContact CG-CD1 4.16Å; M320-L324 HydrophobicContact CG-CG 4.38Å; M320-L324 WeakPolarHBondContact O-CB 3.39Å; M320-L324 VanDerWaalsContact O-CG 3.23Å; M320-L324 WeakPolarHBondContact O-CG 3.45Å; M320-L324 PolarHBondContact O-N 3.5Å; M320-L324 HydrophobicContact SD-CG 4.33Å; L324-L326 PolarHBondContact O-N 3.02Å; L324-H327 WeakPolarHBondContact O-CB 3.46Å; L324-H327 PolarHBondContact O-N 2.83Å; L324-H327 VanDerWaalsContact O-N 3.11Å; L324-F328 WeakPolarHBondContact O-CD2 3.09Å |
| 325 | Y | 86.5 | Confident | 74.4 | Confident | 168 Ų | 168 | 105.4 Ų | 105.4 | 66% | 0.659 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.9 | -35.1 | 177.1 | -159.1 | -103.5 | 0 | 0 | 0 | 112.4 | T321 S322 H323 H327 F328 L329 | T321-Y325 PolarHBondContact O-N 2.84Å; S322-Y325 WeakPolarHBondContact O-CB 3.28Å; S322-Y325 PolarHBondContact O-N 3.39Å; H323-Y325 PolarHBondContact O-N 3.09Å; Y325-H327 VanDerWaalsContact C-N 3.29Å; Y325-H327 PolarHBondContact O-N 3.49Å; Y325-F328 PolarHBondContact O-N 3.15Å; Y325-F328 VanDerWaalsContact O-N 3.12Å; Y325-L329 HydrophobicContact CD1-CD1 3.39Å; Y325-L329 HydrophobicContact CE1-CD1 3.53Å; Y325-L329 HydrophobicContact CG-CD1 4.32Å; Y325-L329 WeakPolarHBondContact O-CD1 3.44Å; Y325-L329 PolarHBondContact O-N 2.97Å |
| 326 | L | 85.9 | Confident | 72.2 | Confident | 120 Ų | 120 | 116.1 Ų | 116.1 | 63% | 0.628 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.6 | -27.8 | 177.1 | -64.7 | 173.2 | 0 | 0 | 0 | 113.5 | S322 H323 L324 F328 | S322-L326 PolarHBondContact O-N 3.37Å; H323-L326 WeakPolarHBondContact O-CB 3.48Å; H323-L326 PolarHBondContact O-N 3.41Å; L324-L326 PolarHBondContact O-N 3.02Å; L326-F328 VanDerWaalsContact C-N 3.32Å |
| 327 | H | 84.1 | Confident | 71.6 | Confident | 72 Ų | 72 | 119.7 Ų | 119.7 | 33% | 0.333 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.9 | -30.3 | 173.2 | -73.5 | -68.8 | 0 | 0 | 0 | 112.8 | F310 C311 H323 L324 Y325 | F310-H327 HydrophobicContact CB-CB 4.49Å; C311-H327 PolarHBondContact SG-CE1 3.03Å; C311-H327 PolarHBondContact SG-NE2 2.99Å; H323-H327 AromaticContact CD2-CD2 3.93Å; H323-H327 AromaticContact CD2-NE2 3.71Å; H323-H327 AromaticContact CE1-NE2 3.72Å; H323-H327 AromaticContact NE2-CD2 3.69Å; H323-H327 AromaticContact NE2-NE2 3Å; H323-H327 PolarHBondContact NE2-NE2 3.38Å; L324-H327 WeakPolarHBondContact O-CB 3.46Å; L324-H327 PolarHBondContact O-N 2.83Å; L324-H327 VanDerWaalsContact O-N 3.11Å; Y325-H327 VanDerWaalsContact C-N 3.29Å; Y325-H327 PolarHBondContact O-N 3.49Å |
| 328 | F | 78.7 | Confident | 71.2 | Confident | 146 Ų | 146 | 120.8 Ų | 120.8 | 64% | 0.64 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -89.5 | -10.5 | -179 | -63.8 | -70.5 | 0 | 0 | 0 | 113.7 | F310 L324 Y325 L326 | F310-F328 HydrophobicContact CZ-CZ 4.37Å; L324-F328 WeakPolarHBondContact O-CD2 3.09Å; Y325-F328 PolarHBondContact O-N 3.15Å; Y325-F328 VanDerWaalsContact O-N 3.12Å; L326-F328 VanDerWaalsContact C-N 3.32Å |
| 329 | L | 80.4 | Confident | 70.8 | Confident | 85 Ų | 85 | 121.2 Ų | 121.2 | 45% | 0.445 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -69.9 | 129.8 | 169 | -92.1 | 93.2 | 0 | 0 | 0 | 109.2 | Y325 K331 | Y325-L329 HydrophobicContact CD1-CD1 3.39Å; Y325-L329 HydrophobicContact CE1-CD1 3.53Å; Y325-L329 HydrophobicContact CG-CD1 4.32Å; Y325-L329 WeakPolarHBondContact O-CD1 3.44Å; Y325-L329 PolarHBondContact O-N 2.97Å; L329-K331 PolarHBondContact O-N 2.96Å |
| 330 | P | 62.3 | Low | 70 | Confident | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 63% | 0.629 | S | S | * | * | trans | -59.9 | 112.9 | 170.3 | 23.9 | -30 | 0 | 0 | 0 | 107.6 | K332 | P330-K332 PolarHBondContact O-N 3.18Š| ||
| 331 | K | 61.2 | Low | 69 | Low | 191 Ų | 191 | 129.5 Ų | 129.5 | 83% | 0.83 | 66% | 0.661 | S | S | * | * | trans | -54.3 | 110.3 | 164.8 | -80.5 | 179.8 | 178 | 173.3 | 0 | 105.6 | L329 E333 | L329-K331 PolarHBondContact O-N 2.96Å; K331-E333 PolarHBondContact O-N 2.95Å | ||
| 332 | K | 48.6 | Very low | 68 | Low | 205 Ų | 205 | 130.6 Ų | 130.6 | 89% | 0.891 | 66% | 0.658 | S | S | * | * | trans | -62.7 | 100.4 | 159.2 | -72.5 | -170.8 | 177.7 | -179.6 | 0 | 104 | P330 A334 | P330-K332 PolarHBondContact O-N 3.18Å; K332-A334 PolarHBondContact O-N 2.99Å | ||
| 333 | E | 47.3 | Very low | 66.8 | Low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 67% | 0.671 | S | S | * | * | trans | -54.6 | 111.4 | 171.2 | -65.6 | -169.8 | 162.3 | 0 | 0 | 106.2 | K331 E335 | K331-E333 PolarHBondContact O-N 2.95Å; E333-E335 PolarHBondContact O-N 3.14Å | ||
| 334 | A | 45.5 | Very low | 65.1 | Low | 98 Ų | 98 | 143.3 Ų | 143.3 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | -64.1 | 123.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | K332 N336 | K332-A334 PolarHBondContact O-N 2.99Å; A334-N336 PolarHBondContact O-N 3Å | ||
| 335 | E | 41.7 | Very low | 63.1 | Low | 194 Ų | 194 | 151.1 Ų | 151.1 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -43.7 | 127.5 | 165.8 | -73.2 | 172.1 | 131.9 | 0 | 0 | 110.5 | E333 | E333-E335 PolarHBondContact O-N 3.14Š| ||
| 336 | N | 35.4 | Very low | 61 | Low | 236 Ų | 236 | 149.5 Ų | 149.5 | 100% | 1.262 | 76% | 0.759 | S | S | * | * | trans | -149.1 | 0 | 137.5 | -149.3 | 12.8 | 0 | 0 | 0 | 110.1 | A334 | A334-N336 PolarHBondContact O-N 3Š|
Retrieved 336 of 336 residues in 153.4 ms
(Link to these results)