| 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 | 63.2 | Low | 90.2 | Very high | 201 Ų | 201 | 131.3 Ų | 131.3 | 99% | 0.99 | 62% | 0.623 | S | S | * | * | 0 | -52.8 | 0 | -144.4 | 57.7 | 160 | 0 | 0 | 113.5 | R3 K4 I5 | M1-R3 PolarHBondContact O-N 3.01Å; M1-K4 PolarHBondContact O-N 3.34Å; M1-I5 HydrophobicContact CG-CD1 4.18Å | |||
| 2 | T | 79.8 | Confident | 90.9 | Very high | 114 Ų | 114 | 132.5 Ų | 132.5 | 70% | 0.699 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -50.8 | -44.3 | -158.8 | -29.6 | 0 | 0 | 0 | 0 | 117.4 | K4 I5 F6 | T2-K4 VanDerWaalsContact C-N 3.32Å; T2-K4 PolarHBondContact O-N 3.1Å; T2-I5 WeakPolarHBondContact O-CB 3.3Å; T2-I5 PolarHBondContact O-N 3.18Å; T2-F6 PolarHBondContact O-N 3.21Å; T2-F6 VanDerWaalsContact O-N 3.15Å |
| 3 | R | 86.4 | Confident | 91.5 | Very high | 221 Ų | 221 | 134.6 Ų | 134.6 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.7 | -38.4 | -175.1 | -170 | -177.1 | -75.2 | -176.3 | -1.9 | 113.1 | M1 I5 T7 | M1-R3 PolarHBondContact O-N 3.01Å; R3-I5 VanDerWaalsContact C-N 3.32Å; R3-I5 PolarHBondContact O-N 2.85Å; R3-T7 PolarHBondContact O-N 3.07Å; R3-T7 VanDerWaalsContact O-N 3.15Å; R3-T7 PolarHBondContact O-OG1 3Å |
| 4 | K | 90.4 | Very high | 92 | Very high | 176 Ų | 176 | 133.9 Ų | 133.9 | 77% | 0.765 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.4 | -32 | 177.3 | -77.9 | -172 | 173.4 | -176.7 | 0 | 112.9 | M1 T2 T7 N8 | M1-K4 PolarHBondContact O-N 3.34Å; T2-K4 VanDerWaalsContact C-N 3.32Å; T2-K4 PolarHBondContact O-N 3.1Å; K4-T7 PolarHBondContact O-OG1 2.96Å; K4-N8 WeakPolarHBondContact O-CB 3.49Å; K4-N8 PolarHBondContact O-N 3.37Å |
| 5 | I | 93.3 | Very high | 92.4 | Very high | 99 Ų | 99 | 129.7 Ų | 129.7 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72 | -49.4 | 179.1 | -57.7 | 174.2 | 0 | 0 | 0 | 109.1 | M1 T2 R3 T7 N8 T9 | M1-I5 HydrophobicContact CG-CD1 4.18Å; T2-I5 WeakPolarHBondContact O-CB 3.3Å; T2-I5 PolarHBondContact O-N 3.18Å; R3-I5 VanDerWaalsContact C-N 3.32Å; R3-I5 PolarHBondContact O-N 2.85Å; I5-T7 PolarHBondContact O-N 2.89Å; I5-N8 PolarHBondContact O-N 3.43Å; I5-T9 PolarHBondContact O-N 3.48Å; I5-T9 PolarHBondContact O-OG1 3.42Å |
| 6 | F | 92.9 | Very high | 92.8 | Very high | 145 Ų | 145 | 128.1 Ų | 128.1 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57 | -44.5 | 177.6 | -179.5 | -100.3 | 0 | 0 | 0 | 112.8 | T2 T9 R10 | T2-F6 PolarHBondContact O-N 3.21Å; T2-F6 VanDerWaalsContact O-N 3.15Å; F6-T9 PolarHBondContact O-N 3.09Å; F6-R10 WeakPolarHBondContact O-CB 3.27Å; F6-R10 PolarHBondContact O-N 3.06Å |
| 7 | T | 95.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 124.7 Ų | 124.7 | 46% | 0.46 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68 | -36.6 | 177.7 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | R3 K4 I5 R10 E11 | R3-T7 PolarHBondContact O-N 3.07Å; R3-T7 VanDerWaalsContact O-N 3.15Å; R3-T7 PolarHBondContact O-OG1 3Å; K4-T7 PolarHBondContact O-OG1 2.96Å; I5-T7 PolarHBondContact O-N 2.89Å; T7-R10 PolarHBondContact O-N 3Å; T7-E11 PolarHBondContact O-N 3.26Å |
| 8 | N | 97.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 120.7 Ų | 120.7 | 47% | 0.465 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.6 | -45.9 | 173.9 | -168.9 | -89.6 | 0 | 0 | 0 | 111.8 | K4 I5 R10 E11 R12 | K4-N8 WeakPolarHBondContact O-CB 3.49Å; K4-N8 PolarHBondContact O-N 3.37Å; I5-N8 PolarHBondContact O-N 3.43Å; N8-R10 PolarHBondContact O-N 2.81Å; N8-E11 PolarHBondContact O-N 3.12Å; N8-R12 VanDerWaalsContact O-CB 3.3Å; N8-R12 WeakPolarHBondContact O-CB 3.43Å; N8-R12 PolarHBondContact O-N 2.93Å; N8-R12 PolarHBondContact OD1-NH2 3.22Å |
| 9 | T | 97.3 | Very high | 93.7 | Very high | 85 Ų | 85 | 118.2 Ų | 118.2 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | I5 F6 R12 W13 | I5-T9 PolarHBondContact O-N 3.48Å; I5-T9 PolarHBondContact O-OG1 3.42Å; F6-T9 PolarHBondContact O-N 3.09Å; T9-R12 PolarHBondContact O-N 3.37Å; T9-W13 PolarHBondContact O-N 3.12Å |
| 10 | R | 97.9 | Very high | 93.9 | Very high | 170 Ų | 170 | 115.5 Ų | 115.5 | 64% | 0.642 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 177 | 179.1 | 174.1 | 167.4 | -88 | 4.9 | 112.7 | F6 T7 N8 W13 R14 | F6-R10 WeakPolarHBondContact O-CB 3.27Å; F6-R10 PolarHBondContact O-N 3.06Å; T7-R10 PolarHBondContact O-N 3Å; N8-R10 PolarHBondContact O-N 2.81Å; R10-W13 PolarHBondContact O-N 3.07Å; R10-R14 PolarHBondContact O-N 2.97Å; R10-R14 VanDerWaalsContact O-N 3.08Å |
| 11 | E | 98.3 | Very high | 94.2 | Very high | 71 Ų | 71 | 112.7 Ų | 112.7 | 33% | 0.332 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | 177.1 | 177.1 | 55.7 | -163.2 | 0 | 0 | 111.8 | T7 N8 W13 R14 Q15 | T7-E11 PolarHBondContact O-N 3.26Å; N8-E11 PolarHBondContact O-N 3.12Å; E11-W13 VanDerWaalsContact C-N 3.32Å; E11-W13 PolarHBondContact O-N 3.46Å; E11-R14 WeakPolarHBondContact O-CB 3.4Å; E11-R14 PolarHBondContact O-N 3.49Å; E11-R14 IonicContact OE1-CZ 3.5Å; E11-R14 IonicContact OE1-NE 3.46Å; E11-R14 PolarHBondContact OE1-NE 3.24Å; E11-R14 IonicContact OE1-NH2 3.46Å; E11-R14 PolarHBondContact OE1-NH2 3.06Å; E11-R14 IonicContact OE2-CZ 3.54Å; E11-R14 IonicContact OE2-NE 2.75Å; E11-R14 PolarHBondContact OE2-NE 3.36Å; E11-R14 IonicContact OE2-NH2 2.72Å; E11-R14 PolarHBondContact OE2-NH2 2.95Å; E11-Q15 HydrophobicContact CG-CG 4.42Å; E11-Q15 VanDerWaalsContact O-CG 3.3Å; E11-Q15 WeakPolarHBondContact O-CG 3.35Å; E11-Q15 PolarHBondContact O-N 3.2Å; E11-Q15 WeakPolarHBondContact OE1-CG 3.33Å; E11-Q15 PolarHBondContact OE1-NE2 3.23Å |
| 12 | R | 98.4 | Very high | 95.8 | Very high | 146 Ų | 146 | 104.8 Ų | 104.8 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.2 | -44.9 | 173 | -176.4 | -177.6 | -56.6 | -92.3 | -7.1 | 111.6 | N8 T9 Q15 Q16 | N8-R12 VanDerWaalsContact O-CB 3.3Å; N8-R12 WeakPolarHBondContact O-CB 3.43Å; N8-R12 PolarHBondContact O-N 2.93Å; N8-R12 PolarHBondContact OD1-NH2 3.22Å; T9-R12 PolarHBondContact O-N 3.37Å; R12-Q15 PolarHBondContact O-N 3.21Å; R12-Q16 WeakPolarHBondContact O-CG 3.24Å; R12-Q16 PolarHBondContact O-N 3.26Å |
| 13 | W | 98.4 | Very high | 96.7 | Very high | 160 Ų | 160 | 101.7 Ų | 101.7 | 61% | 0.606 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 176 | -173.6 | 78.3 | 0 | 0 | 0 | 112.2 | T9 R10 E11 Q15 Q16 N17 | T9-W13 PolarHBondContact O-N 3.12Å; R10-W13 PolarHBondContact O-N 3.07Å; E11-W13 VanDerWaalsContact C-N 3.32Å; E11-W13 PolarHBondContact O-N 3.46Å; W13-Q15 VanDerWaalsContact C-N 3.31Å; W13-Q15 PolarHBondContact O-N 3.37Å; W13-Q16 WeakPolarHBondContact O-CB 3.48Å; W13-Q16 PolarHBondContact O-N 3.14Å; W13-Q16 VanDerWaalsContact O-N 3.15Å; W13-N17 WeakPolarHBondContact CH2-ND2 3.28Å; W13-N17 WeakPolarHBondContact CZ2-ND2 3.36Å; W13-N17 WeakPolarHBondContact CZ3-ND2 3.38Å; W13-N17 PolarHBondContact O-N 3.23Å |
| 14 | R | 98.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 98.7 Ų | 98.7 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59 | -42 | 174 | -162.8 | -170.2 | 69.5 | 86.7 | 2.8 | 112 | R10 E11 N17 V18 | R10-R14 PolarHBondContact O-N 2.97Å; R10-R14 VanDerWaalsContact O-N 3.08Å; E11-R14 WeakPolarHBondContact O-CB 3.4Å; E11-R14 PolarHBondContact O-N 3.49Å; E11-R14 IonicContact OE1-CZ 3.5Å; E11-R14 IonicContact OE1-NE 3.46Å; E11-R14 PolarHBondContact OE1-NE 3.24Å; E11-R14 IonicContact OE1-NH2 3.46Å; E11-R14 PolarHBondContact OE1-NH2 3.06Å; E11-R14 IonicContact OE2-CZ 3.54Å; E11-R14 IonicContact OE2-NE 2.75Å; E11-R14 PolarHBondContact OE2-NE 3.36Å; E11-R14 IonicContact OE2-NH2 2.72Å; E11-R14 PolarHBondContact OE2-NH2 2.95Å; R14-N17 PolarHBondContact O-N 2.93Å; R14-V18 WeakPolarHBondContact O-CG2 3.39Å; R14-V18 PolarHBondContact O-N 3.28Å |
| 15 | Q | 98.7 | Very high | 97.6 | Very high | 70 Ų | 70 | 93 Ų | 93 | 33% | 0.327 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.6 | -35 | 175.7 | -67.5 | -73.2 | -11.6 | 0 | 0 | 112.6 | E11 R12 W13 N17 V18 N19 | E11-Q15 HydrophobicContact CG-CG 4.42Å; E11-Q15 VanDerWaalsContact O-CG 3.3Å; E11-Q15 WeakPolarHBondContact O-CG 3.35Å; E11-Q15 PolarHBondContact O-N 3.2Å; E11-Q15 WeakPolarHBondContact OE1-CG 3.33Å; E11-Q15 PolarHBondContact OE1-NE2 3.23Å; R12-Q15 PolarHBondContact O-N 3.21Å; W13-Q15 VanDerWaalsContact C-N 3.31Å; W13-Q15 PolarHBondContact O-N 3.37Å; Q15-N17 VanDerWaalsContact C-N 3.34Å; Q15-V18 PolarHBondContact O-N 3.1Å; Q15-N19 WeakPolarHBondContact O-CB 3.48Å; Q15-N19 PolarHBondContact O-N 3.3Å; Q15-N19 PolarHBondContact O-ND2 2.77Å |
| 16 | Q | 98.6 | Very high | 97.9 | Very high | 104 Ų | 104 | 91.7 Ų | 91.7 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 172.5 | -76.8 | 170.1 | -33.9 | 0 | 0 | 111.7 | R12 W13 N19 S20 | R12-Q16 WeakPolarHBondContact O-CG 3.24Å; R12-Q16 PolarHBondContact O-N 3.26Å; W13-Q16 WeakPolarHBondContact O-CB 3.48Å; W13-Q16 PolarHBondContact O-N 3.14Å; W13-Q16 VanDerWaalsContact O-N 3.15Å; Q16-N19 PolarHBondContact O-N 2.98Å; Q16-S20 WeakPolarHBondContact O-CB 3.42Å; Q16-S20 PolarHBondContact O-N 2.92Å; Q16-S20 PolarHBondContact O-OG 3.26Å |
| 17 | N | 98.7 | Very high | 98.1 | Very high | 71 Ų | 71 | 93.8 Ų | 93.8 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.4 | -67.2 | -16.6 | 0 | 0 | 0 | 111.6 | W13 R14 Q15 S20 A21 | W13-N17 WeakPolarHBondContact CH2-ND2 3.28Å; W13-N17 WeakPolarHBondContact CZ2-ND2 3.36Å; W13-N17 WeakPolarHBondContact CZ3-ND2 3.38Å; W13-N17 PolarHBondContact O-N 3.23Å; R14-N17 PolarHBondContact O-N 2.93Å; Q15-N17 VanDerWaalsContact C-N 3.34Å; N17-S20 PolarHBondContact O-N 3.15Å; N17-A21 PolarHBondContact O-N 2.98Å |
| 18 | V | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 96 Ų | 96 | 32% | 0.315 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | R14 Q15 S20 A21 F22 | R14-V18 WeakPolarHBondContact O-CG2 3.39Å; R14-V18 PolarHBondContact O-N 3.28Å; Q15-V18 PolarHBondContact O-N 3.1Å; V18-S20 VanDerWaalsContact C-N 3.29Å; V18-S20 PolarHBondContact O-N 3.28Å; V18-A21 PolarHBondContact O-N 3.47Å; V18-F22 HydrophobicContact CG1-CD2 4.01Å; V18-F22 HydrophobicContact CG1-CE2 4.21Å; V18-F22 WeakPolarHBondContact O-CD2 3.42Å; V18-F22 PolarHBondContact O-N 3.08Å |
| 19 | N | 98.4 | Very high | 98.2 | Very high | 73 Ų | 73 | 92.4 Ų | 92.4 | 39% | 0.39 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.4 | -34.2 | 178.2 | -70.7 | -24.9 | 0 | 0 | 0 | 111.9 | Q15 Q16 F22 A23 K40 | Q15-N19 WeakPolarHBondContact O-CB 3.48Å; Q15-N19 PolarHBondContact O-N 3.3Å; Q15-N19 PolarHBondContact O-ND2 2.77Å; Q16-N19 PolarHBondContact O-N 2.98Å; N19-F22 WeakPolarHBondContact O-CB 3.2Å; N19-F22 PolarHBondContact O-N 2.76Å; N19-A23 PolarHBondContact O-N 3.22Å; N19-K40 VanDerWaalsContact OD1-CE 3.26Å; N19-K40 WeakPolarHBondContact OD1-CE 3.5Å; N19-K40 PolarHBondContact OD1-NZ 3.39Å |
| 20 | S | 98.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 92.2 Ų | 92.2 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 174.5 | -59 | 0 | 0 | 0 | 0 | 112.4 | Q16 N17 V18 A23 K24 | Q16-S20 WeakPolarHBondContact O-CB 3.42Å; Q16-S20 PolarHBondContact O-N 2.92Å; Q16-S20 PolarHBondContact O-OG 3.26Å; N17-S20 PolarHBondContact O-N 3.15Å; V18-S20 VanDerWaalsContact C-N 3.29Å; V18-S20 PolarHBondContact O-N 3.28Å; S20-A23 WeakPolarHBondContact O-CB 3.33Å; S20-A23 PolarHBondContact O-N 3.16Å; S20-A23 VanDerWaalsContact O-N 3.16Å; S20-K24 PolarHBondContact O-N 3.34Å |
| 21 | A | 98.5 | Very high | 98.2 | Very high | 56 Ų | 56 | 85.8 Ų | 85.8 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N17 V18 A23 K24 L25 | N17-A21 PolarHBondContact O-N 2.98Å; V18-A21 PolarHBondContact O-N 3.47Å; A21-A23 VanDerWaalsContact C-N 3.26Å; A21-A23 PolarHBondContact O-N 2.91Å; A21-K24 PolarHBondContact O-N 3.27Å; A21-L25 PolarHBondContact O-N 2.96Å |
| 22 | F | 98.6 | Very high | 98 | Very high | 35 Ų | 35 | 90.7 Ų | 90.7 | 15% | 0.154 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.4 | -31.6 | 171.3 | -97.8 | -81.8 | 0 | 0 | 0 | 113.3 | V18 N19 R26 K40 T43 L44 | V18-F22 HydrophobicContact CG1-CD2 4.01Å; V18-F22 HydrophobicContact CG1-CE2 4.21Å; V18-F22 WeakPolarHBondContact O-CD2 3.42Å; V18-F22 PolarHBondContact O-N 3.08Å; N19-F22 WeakPolarHBondContact O-CB 3.2Å; N19-F22 PolarHBondContact O-N 2.76Å; F22-R26 VanDerWaalsContact C-NH1 3.33Å; F22-R26 WeakPolarHBondContact O-CG 3.49Å; F22-R26 PolarHBondContact O-N 2.83Å; F22-R26 PolarHBondContact O-NH1 2.97Å; F22-K40 HydrophobicContact CD1-CB 4.35Å; F22-K40 HydrophobicContact CD1-CG 4.04Å; F22-K40 HydrophobicContact CE1-CB 3.77Å; F22-K40 HydrophobicContact CE1-CG 3.89Å; F22-K40 HydrophobicContact CE2-CD 4.3Å; F22-K40 HydrophobicContact CG-CG 4.43Å; F22-K40 HydrophobicContact CZ-CB 4.06Å; F22-K40 HydrophobicContact CZ-CD 4.28Å; F22-K40 HydrophobicContact CZ-CG 4.14Å; F22-T43 HydrophobicContact CD1-CG2 4.03Å; F22-T43 HydrophobicContact CE1-CG2 4.36Å; F22-L44 HydrophobicContact CE1-CD2 4.28Å; F22-L44 HydrophobicContact CE1-CG 4.13Å; F22-L44 HydrophobicContact CZ-CD1 4.27Å; F22-L44 HydrophobicContact CZ-CD2 4.19Å; F22-L44 HydrophobicContact CZ-CG 4.19Å |
| 23 | A | 97.7 | Very high | 97.8 | Very high | 49 Ų | 49 | 86.8 Ų | 86.8 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.9 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | N19 S20 A21 | N19-A23 PolarHBondContact O-N 3.22Å; S20-A23 WeakPolarHBondContact O-CB 3.33Å; S20-A23 PolarHBondContact O-N 3.16Å; S20-A23 VanDerWaalsContact O-N 3.16Å; A21-A23 VanDerWaalsContact C-N 3.26Å; A21-A23 PolarHBondContact O-N 2.91Å |
| 24 | K | 98.2 | Very high | 97.4 | Very high | 159 Ų | 159 | 84.8 Ų | 84.8 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 171.8 | -69.5 | -178.1 | 179.3 | -174.6 | 0 | 111.3 | S20 A21 R26 K27 | S20-K24 PolarHBondContact O-N 3.34Å; A21-K24 PolarHBondContact O-N 3.27Å; K24-R26 VanDerWaalsContact C-N 3.35Å; K24-R26 PolarHBondContact O-N 3.3Å; K24-K27 WeakPolarHBondContact O-CB 3.43Å; K24-K27 PolarHBondContact O-N 2.92Å; K24-K27 VanDerWaalsContact O-N 3.14Å |
| 25 | L | 98.4 | Very high | 97 | Very high | 55 Ų | 55 | 83.5 Ų | 83.5 | 29% | 0.288 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | -179.5 | -179.2 | 57.3 | 0 | 0 | 0 | 112.6 | A21 K27 L28 I29 T43 A47 | A21-L25 PolarHBondContact O-N 2.96Å; L25-K27 VanDerWaalsContact C-N 3.28Å; L25-K27 PolarHBondContact O-N 3.23Å; L25-L28 PolarHBondContact O-N 3.46Å; L25-I29 HydrophobicContact CG-CD1 4.44Å; L25-T43 HydrophobicContact CB-CG2 4.33Å; L25-T43 HydrophobicContact CD2-CG2 3.79Å; L25-T43 HydrophobicContact CG-CG2 3.85Å; L25-A47 HydrophobicContact CD1-CB 4.05Å; L25-A47 HydrophobicContact CD2-CB 4.29Å; L25-A47 HydrophobicContact CG-CB 4.44Å |
| 26 | R | 98 | Very high | 96.8 | Very high | 73 Ų | 73 | 85.1 Ų | 85.1 | 28% | 0.275 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.9 | -35.7 | 176.8 | -75.6 | -177.9 | -169.3 | 91.9 | -13.1 | 113.7 | F22 K24 L28 I29 L38 T43 | F22-R26 VanDerWaalsContact C-NH1 3.33Å; F22-R26 WeakPolarHBondContact O-CG 3.49Å; F22-R26 PolarHBondContact O-N 2.83Å; F22-R26 PolarHBondContact O-NH1 2.97Å; K24-R26 VanDerWaalsContact C-N 3.35Å; K24-R26 PolarHBondContact O-N 3.3Å; R26-L28 PolarHBondContact O-N 3.3Å; R26-I29 PolarHBondContact O-N 3.46Å; R26-I29 VanDerWaalsContact O-N 3.15Å; R26-L38 HydrophobicContact CG-CB 4.39Å; R26-L38 HydrophobicContact CG-CD1 4.49Å; R26-L38 VanDerWaalsContact CZ-O 3.26Å; R26-L38 PolarHBondContact NE-O 3.38Å; R26-L38 PolarHBondContact NH2-O 3.02Å; R26-T43 HydrophobicContact CG-CG2 3.75Å; R26-T43 PolarHBondContact NE-OG1 3.29Å |
| 27 | K | 97 | Very high | 96.6 | Very high | 188 Ų | 188 | 88 Ų | 88 | 82% | 0.817 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.5 | 178 | -66.1 | -172.5 | 174.6 | -167.7 | 0 | 113.4 | K24 L25 | K24-K27 WeakPolarHBondContact O-CB 3.43Å; K24-K27 PolarHBondContact O-N 2.92Å; K24-K27 VanDerWaalsContact O-N 3.14Å; L25-K27 VanDerWaalsContact C-N 3.28Å; L25-K27 PolarHBondContact O-N 3.23Å |
| 28 | L | 97.7 | Very high | 96.5 | Very high | 122 Ų | 122 | 85 Ų | 85 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -0.7 | 178.2 | -54.7 | 178.1 | 0 | 0 | 0 | 112.9 | L25 R26 Y50 | L25-L28 PolarHBondContact O-N 3.46Å; R26-L28 PolarHBondContact O-N 3.3Å; L28-Y50 WeakPolarHBondContact O-CD1 3.29Å; L28-Y50 WeakPolarHBondContact O-CE1 3.34Å |
| 29 | I | 97.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 85 Ų | 85 | 6% | 0.062 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -100.9 | 117.5 | -179 | -63.8 | 172.6 | 0 | 0 | 0 | 109 | L25 R26 T31 L38 T43 L46 A47 | L25-I29 HydrophobicContact CG-CD1 4.44Å; R26-I29 PolarHBondContact O-N 3.46Å; R26-I29 VanDerWaalsContact O-N 3.15Å; I29-T31 HydrophobicContact CG2-CG2 4.12Å; I29-T31 PolarHBondContact O-N 3.15Å; I29-L38 HydrophobicContact CB-CD1 4.41Å; I29-L38 HydrophobicContact CD1-CD1 4.12Å; I29-L38 HydrophobicContact CG2-CD1 4.04Å; I29-T43 HydrophobicContact CD1-CG2 3.71Å; I29-T43 VanDerWaalsContact CD1-O 3.25Å; I29-T43 WeakPolarHBondContact CD1-O 3.46Å; I29-L46 HydrophobicContact CD1-CB 4.28Å; I29-L46 HydrophobicContact CG2-CB 3.66Å; I29-L46 HydrophobicContact CG2-CD2 3.81Å; I29-L46 HydrophobicContact CG2-CG 4.31Å; I29-A47 HydrophobicContact CD1-CB 4.21Å |
| 30 | P | 97.4 | Very high | 96.5 | Very high | 80 Ų | 80 | 85.9 Ų | 85.9 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | trans | -60.2 | 126 | 173.7 | -23.1 | 33.8 | 0 | 0 | 0 | 111.3 | Y50 | P30-Y50 HydrophobicContact CG-CD1 4.39Å; P30-Y50 HydrophobicContact CG-CD2 3.92Å; P30-Y50 HydrophobicContact CG-CE1 4.02Å; P30-Y50 HydrophobicContact CG-CE2 3.52Å; P30-Y50 HydrophobicContact CG-CG 4.35Å | ||
| 31 | T | 97.1 | Very high | 96.5 | Very high | 35 Ų | 35 | 86.7 Ų | 86.7 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | trans | -144 | 156.9 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | I29 P33 L38 L46 | I29-T31 HydrophobicContact CG2-CG2 4.12Å; I29-T31 PolarHBondContact O-N 3.15Å; T31-P33 CarbonylContact C-O 3.33Å; T31-P33 CarbonylContact O-C 3.57Å; T31-P33 PolarHBondContact OG1-O 3.1Å; T31-L38 HydrophobicContact CG2-CD1 4.02Å; T31-L38 HydrophobicContact CG2-CD2 4.22Å; T31-L38 HydrophobicContact CG2-CG 4.37Å; T31-L46 HydrophobicContact CG2-CD2 4.3Å | ||
| 32 | H | 94.4 | Very high | 96.5 | Very high | 174 Ų | 174 | 87.4 Ų | 87.4 | 81% | 0.806 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -122.4 | 127.3 | 168 | -171.6 | 82.2 | 0 | 0 | 0 | 109 | ||
| 33 | P | 94.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 85.8 Ų | 85.8 | 42% | 0.422 | 44% | 0.437 | S | S | . | . | S | Bend | cis | -63.1 | 161.6 | -14.3 | 31.5 | -37.2 | 0 | 0 | 0 | 111.7 | T31 D35 K36 | T31-P33 CarbonylContact C-O 3.33Å; T31-P33 CarbonylContact O-C 3.57Å; T31-P33 PolarHBondContact OG1-O 3.1Å; P33-D35 PolarHBondContact O-N 3.01Å; P33-D35 VanDerWaalsContact O-N 3.1Å; P33-K36 VanDerWaalsContact O-CB 3.29Å; P33-K36 WeakPolarHBondContact O-CB 3.42Å; P33-K36 PolarHBondContact O-N 3.39Å; P33-K36 VanDerWaalsContact O-N 3.08Å |
| 34 | P | 90.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 87.4 Ų | 87.4 | 76% | 0.76 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | -174.2 | -24.9 | 35.4 | 0 | 0 | 0 | 115.5 | ||
| 35 | D | 89.9 | Confident | 96.5 | Very high | 99 Ų | 99 | 87.3 Ų | 87.3 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 5.8 | 179.5 | 79.3 | -59.6 | 0 | 0 | 0 | 113.3 | P33 K37 | P33-D35 PolarHBondContact O-N 3.01Å; P33-D35 VanDerWaalsContact O-N 3.1Å; D35-K37 WeakPolarHBondContact O-CD 3.22Å; D35-K37 PolarHBondContact O-N 2.72Å; D35-K37 PolarHBondContact O-NZ 3.29Å; D35-K37 IonicContact OD2-NZ 2.67Å; D35-K37 PolarHBondContact OD2-NZ 2.67Å |
| 36 | K | 94.8 | Very high | 96.5 | Very high | 104 Ų | 104 | 86.8 Ų | 86.8 | 45% | 0.452 | 43% | 0.431 | S | S | . | . | trans | -48.4 | 125.8 | -174 | 178.4 | 169.8 | 177.8 | 167.4 | 0 | 112.6 | P33 L38 | P33-K36 VanDerWaalsContact O-CB 3.29Å; P33-K36 WeakPolarHBondContact O-CB 3.42Å; P33-K36 PolarHBondContact O-N 3.39Å; P33-K36 VanDerWaalsContact O-N 3.08Å; K36-L38 HydrophobicContact CD-CD2 4.29Å; K36-L38 HydrophobicContact CG-CD2 4.23Å; K36-L38 PolarHBondContact O-N 2.97Å | ||
| 37 | K | 94.4 | Very high | 96.5 | Very high | 164 Ų | 164 | 84 Ų | 84 | 71% | 0.713 | 42% | 0.423 | S | S | * | . | trans | -78.8 | 83.7 | -175.6 | -51.3 | -60 | -180 | -81.6 | 0 | 111.3 | D35 | D35-K37 WeakPolarHBondContact O-CD 3.22Å; D35-K37 PolarHBondContact O-N 2.72Å; D35-K37 PolarHBondContact O-NZ 3.29Å; D35-K37 IonicContact OD2-NZ 2.67Å; D35-K37 PolarHBondContact OD2-NZ 2.67Å | ||
| 38 | L | 96.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 80.4 Ų | 80.4 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | trans | -69.8 | 136.3 | 177.1 | -59.8 | 178.3 | 0 | 0 | 0 | 112.6 | R26 I29 T31 K36 E42 L46 | R26-L38 HydrophobicContact CG-CB 4.39Å; R26-L38 HydrophobicContact CG-CD1 4.49Å; R26-L38 VanDerWaalsContact CZ-O 3.26Å; R26-L38 PolarHBondContact NE-O 3.38Å; R26-L38 PolarHBondContact NH2-O 3.02Å; I29-L38 HydrophobicContact CB-CD1 4.41Å; I29-L38 HydrophobicContact CD1-CD1 4.12Å; I29-L38 HydrophobicContact CG2-CD1 4.04Å; T31-L38 HydrophobicContact CG2-CD1 4.02Å; T31-L38 HydrophobicContact CG2-CD2 4.22Å; T31-L38 HydrophobicContact CG2-CG 4.37Å; K36-L38 HydrophobicContact CD-CD2 4.29Å; K36-L38 HydrophobicContact CG-CD2 4.23Å; K36-L38 PolarHBondContact O-N 2.97Å; L38-E42 HydrophobicContact CB-CB 4.36Å; L38-E42 HydrophobicContact CD2-CB 4.31Å; L38-L46 HydrophobicContact CD1-CD2 4.09Å; L38-L46 HydrophobicContact CD2-CD2 4.15Å | ||
| 39 | S | 98.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 83.3 Ų | 83.3 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | trans | -64.9 | 166.7 | 166.7 | 69.9 | 0 | 0 | 0 | 0 | 111.8 | N41 E42 T43 | S39-N41 VanDerWaalsContact C-N 3.28Å; S39-N41 PolarHBondContact O-N 3.4Å; S39-E42 WeakPolarHBondContact CB-OE2 3.25Å; S39-E42 PolarHBondContact N-OE2 2.98Å; S39-E42 PolarHBondContact O-N 3.4Å; S39-E42 WeakPolarHBondContact OG-CG 3.47Å; S39-E42 PolarHBondContact OG-N 3.39Å; S39-E42 PolarHBondContact OG-OE2 3.17Å; S39-T43 WeakPolarHBondContact O-CB 3.24Å; S39-T43 PolarHBondContact O-N 2.85Å; S39-T43 PolarHBondContact O-OG1 3.26Å | ||
| 40 | K | 98.2 | Very high | 96.6 | Very high | 92 Ų | 92 | 86.4 Ų | 86.4 | 40% | 0.4 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 175.9 | -72 | -171.8 | 175.1 | -176.1 | 0 | 111.9 | N19 F22 L44 | N19-K40 VanDerWaalsContact OD1-CE 3.26Å; N19-K40 WeakPolarHBondContact OD1-CE 3.5Å; N19-K40 PolarHBondContact OD1-NZ 3.39Å; F22-K40 HydrophobicContact CD1-CB 4.35Å; F22-K40 HydrophobicContact CD1-CG 4.04Å; F22-K40 HydrophobicContact CE1-CB 3.77Å; F22-K40 HydrophobicContact CE1-CG 3.89Å; F22-K40 HydrophobicContact CE2-CD 4.3Å; F22-K40 HydrophobicContact CG-CG 4.43Å; F22-K40 HydrophobicContact CZ-CB 4.06Å; F22-K40 HydrophobicContact CZ-CD 4.28Å; F22-K40 HydrophobicContact CZ-CG 4.14Å; K40-L44 WeakPolarHBondContact O-CG 3.39Å; K40-L44 PolarHBondContact O-N 3.33Å |
| 41 | N | 98.4 | Very high | 96.6 | Very high | 81 Ų | 81 | 87.5 Ų | 87.5 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.7 | -45.7 | -179.1 | -176.8 | -86.2 | 0 | 0 | 0 | 112.3 | S39 T43 L44 R45 | S39-N41 VanDerWaalsContact C-N 3.28Å; S39-N41 PolarHBondContact O-N 3.4Å; N41-T43 VanDerWaalsContact C-N 3.32Å; N41-T43 PolarHBondContact O-N 3.28Å; N41-L44 PolarHBondContact O-N 3.45Å; N41-R45 PolarHBondContact O-N 2.89Å; N41-R45 VanDerWaalsContact OD1-CD 3.27Å; N41-R45 WeakPolarHBondContact OD1-CD 3.21Å; N41-R45 PolarHBondContact OD1-NE 3.21Å; N41-R45 PolarHBondContact OD1-NH1 3.33Å |
| 42 | E | 98.1 | Very high | 96.5 | Very high | 72 Ų | 72 | 90.8 Ų | 90.8 | 34% | 0.336 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 174 | -70.1 | 163.4 | 102.9 | 0 | 0 | 111.6 | L38 S39 L44 R45 L46 | L38-E42 HydrophobicContact CB-CB 4.36Å; L38-E42 HydrophobicContact CD2-CB 4.31Å; S39-E42 WeakPolarHBondContact CB-OE2 3.25Å; S39-E42 PolarHBondContact N-OE2 2.98Å; S39-E42 PolarHBondContact O-N 3.4Å; S39-E42 WeakPolarHBondContact OG-CG 3.47Å; S39-E42 PolarHBondContact OG-N 3.39Å; S39-E42 PolarHBondContact OG-OE2 3.17Å; E42-L44 VanDerWaalsContact C-N 3.29Å; E42-L44 PolarHBondContact O-N 3.03Å; E42-R45 PolarHBondContact O-N 2.82Å; E42-L46 WeakPolarHBondContact O-CB 3.49Å; E42-L46 WeakPolarHBondContact O-CD1 3.42Å; E42-L46 PolarHBondContact O-N 2.66Å |
| 43 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.2 | -45.5 | 178 | -55.2 | 0 | 0 | 0 | 0 | 111 | F22 L25 R26 I29 S39 N41 A47 | F22-T43 HydrophobicContact CD1-CG2 4.03Å; F22-T43 HydrophobicContact CE1-CG2 4.36Å; L25-T43 HydrophobicContact CB-CG2 4.33Å; L25-T43 HydrophobicContact CD2-CG2 3.79Å; L25-T43 HydrophobicContact CG-CG2 3.85Å; R26-T43 HydrophobicContact CG-CG2 3.75Å; R26-T43 PolarHBondContact NE-OG1 3.29Å; I29-T43 HydrophobicContact CD1-CG2 3.71Å; I29-T43 VanDerWaalsContact CD1-O 3.25Å; I29-T43 WeakPolarHBondContact CD1-O 3.46Å; S39-T43 WeakPolarHBondContact O-CB 3.24Å; S39-T43 PolarHBondContact O-N 2.85Å; S39-T43 PolarHBondContact O-OG1 3.26Å; N41-T43 VanDerWaalsContact C-N 3.32Å; N41-T43 PolarHBondContact O-N 3.28Å; T43-A47 VanDerWaalsContact O-CB 3.22Å; T43-A47 WeakPolarHBondContact O-CB 3.48Å; T43-A47 PolarHBondContact O-N 2.83Å |
| 44 | L | 98.8 | Very high | 96.7 | Very high | 84 Ų | 84 | 88.3 Ų | 88.3 | 44% | 0.44 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 177.6 | -65.4 | 172.3 | 0 | 0 | 0 | 112.2 | F22 K40 N41 E42 A47 M48 | F22-L44 HydrophobicContact CE1-CD2 4.28Å; F22-L44 HydrophobicContact CE1-CG 4.13Å; F22-L44 HydrophobicContact CZ-CD1 4.27Å; F22-L44 HydrophobicContact CZ-CD2 4.19Å; F22-L44 HydrophobicContact CZ-CG 4.19Å; K40-L44 WeakPolarHBondContact O-CG 3.39Å; K40-L44 PolarHBondContact O-N 3.33Å; N41-L44 PolarHBondContact O-N 3.45Å; E42-L44 VanDerWaalsContact C-N 3.29Å; E42-L44 PolarHBondContact O-N 3.03Å; L44-A47 PolarHBondContact O-N 2.85Å; L44-M48 WeakPolarHBondContact O-CE 3.33Å; L44-M48 WeakPolarHBondContact O-CG 3.45Å; L44-M48 PolarHBondContact O-N 2.8Å; L44-M48 VanDerWaalsContact O-N 3.1Å |
| 45 | R | 98.3 | Very high | 96.9 | Very high | 157 Ų | 157 | 87.3 Ų | 87.3 | 59% | 0.592 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | -179.9 | -75 | 177.6 | 167.5 | 163.3 | -12.5 | 112.6 | N41 E42 R49 | N41-R45 PolarHBondContact O-N 2.89Å; N41-R45 VanDerWaalsContact OD1-CD 3.27Å; N41-R45 WeakPolarHBondContact OD1-CD 3.21Å; N41-R45 PolarHBondContact OD1-NE 3.21Å; N41-R45 PolarHBondContact OD1-NH1 3.33Å; E42-R45 PolarHBondContact O-N 2.82Å; R45-R49 WeakPolarHBondContact O-CB 3.43Å; R45-R49 PolarHBondContact O-N 2.96Å; R45-R49 VanDerWaalsContact O-N 3.15Å |
| 46 | L | 98.2 | Very high | 97 | Very high | 44 Ų | 44 | 89 Ų | 89 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.2 | -36.5 | 177.1 | -88.6 | 62.1 | 0 | 0 | 0 | 111.8 | I29 T31 L38 E42 R49 Y50 | I29-L46 HydrophobicContact CD1-CB 4.28Å; I29-L46 HydrophobicContact CG2-CB 3.66Å; I29-L46 HydrophobicContact CG2-CD2 3.81Å; I29-L46 HydrophobicContact CG2-CG 4.31Å; T31-L46 HydrophobicContact CG2-CD2 4.3Å; L38-L46 HydrophobicContact CD1-CD2 4.09Å; L38-L46 HydrophobicContact CD2-CD2 4.15Å; E42-L46 WeakPolarHBondContact O-CB 3.49Å; E42-L46 WeakPolarHBondContact O-CD1 3.42Å; E42-L46 PolarHBondContact O-N 2.66Å; L46-R49 PolarHBondContact O-N 3.5Å; L46-Y50 WeakPolarHBondContact O-CB 3.38Å; L46-Y50 PolarHBondContact O-N 3.37Å |
| 47 | A | 98.6 | Very high | 97 | Very high | 13 Ų | 13 | 86.3 Ų | 86.3 | 11% | 0.107 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L25 I29 T43 L44 R49 Y50 I51 | L25-A47 HydrophobicContact CD1-CB 4.05Å; L25-A47 HydrophobicContact CD2-CB 4.29Å; L25-A47 HydrophobicContact CG-CB 4.44Å; I29-A47 HydrophobicContact CD1-CB 4.21Å; T43-A47 VanDerWaalsContact O-CB 3.22Å; T43-A47 WeakPolarHBondContact O-CB 3.48Å; T43-A47 PolarHBondContact O-N 2.83Å; L44-A47 PolarHBondContact O-N 2.85Å; A47-R49 PolarHBondContact O-N 3.19Å; A47-Y50 PolarHBondContact O-N 3.42Å; A47-I51 WeakPolarHBondContact O-CG1 3.34Å; A47-I51 PolarHBondContact O-N 3.01Å |
| 48 | M | 97.8 | Very high | 97 | Very high | 114 Ų | 114 | 84 Ų | 84 | 56% | 0.562 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 175.4 | -68.5 | -176.9 | -68.8 | 0 | 0 | 112.1 | L44 Y50 N52 | L44-M48 WeakPolarHBondContact O-CE 3.33Å; L44-M48 WeakPolarHBondContact O-CG 3.45Å; L44-M48 PolarHBondContact O-N 2.8Å; L44-M48 VanDerWaalsContact O-N 3.1Å; M48-Y50 VanDerWaalsContact C-N 3.33Å; M48-Y50 PolarHBondContact O-N 3.08Å; M48-N52 VanDerWaalsContact O-CG 3.29Å; M48-N52 PolarHBondContact O-N 3.31Å; M48-N52 VanDerWaalsContact O-N 3.12Å; M48-N52 PolarHBondContact O-ND2 3.37Å |
| 49 | R | 97.8 | Very high | 96.5 | Very high | 183 Ų | 183 | 85.2 Ų | 85.2 | 69% | 0.691 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 176.1 | -173.8 | -176 | -66.2 | 173.6 | -2.7 | 112 | R45 L46 A47 N52 F53 | R45-R49 WeakPolarHBondContact O-CB 3.43Å; R45-R49 PolarHBondContact O-N 2.96Å; R45-R49 VanDerWaalsContact O-N 3.15Å; L46-R49 PolarHBondContact O-N 3.5Å; A47-R49 PolarHBondContact O-N 3.19Å; R49-N52 PolarHBondContact O-N 3.39Å; R49-F53 WeakPolarHBondContact O-CB 3.49Å; R49-F53 PolarHBondContact O-N 2.89Å |
| 50 | Y | 98.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 87.7 Ų | 87.7 | 30% | 0.302 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.7 | -39.1 | -177.4 | -174.9 | -132.7 | 0 | 0 | 0 | 112.3 | L28 P30 L46 A47 M48 N52 F53 L54 | L28-Y50 WeakPolarHBondContact O-CD1 3.29Å; L28-Y50 WeakPolarHBondContact O-CE1 3.34Å; P30-Y50 HydrophobicContact CG-CD1 4.39Å; P30-Y50 HydrophobicContact CG-CD2 3.92Å; P30-Y50 HydrophobicContact CG-CE1 4.02Å; P30-Y50 HydrophobicContact CG-CE2 3.52Å; P30-Y50 HydrophobicContact CG-CG 4.35Å; L46-Y50 WeakPolarHBondContact O-CB 3.38Å; L46-Y50 PolarHBondContact O-N 3.37Å; A47-Y50 PolarHBondContact O-N 3.42Å; M48-Y50 VanDerWaalsContact C-N 3.33Å; M48-Y50 PolarHBondContact O-N 3.08Å; Y50-N52 PolarHBondContact O-N 3.15Å; Y50-F53 AromaticContact CD2-CD1 3.96Å; Y50-F53 HydrophobicContact CD2-CD1 3.96Å; Y50-F53 AromaticContact CE2-CD1 3.99Å; Y50-F53 HydrophobicContact CE2-CD1 3.99Å; Y50-F53 HydrophobicContact CE2-CE1 4.42Å; Y50-F53 WeakPolarHBondContact O-CB 3.49Å; Y50-F53 PolarHBondContact O-N 2.75Å; Y50-L54 HydrophobicContact CD1-CD1 4.24Å; Y50-L54 HydrophobicContact CD2-CG 4.24Å; Y50-L54 HydrophobicContact CE1-CD1 3.85Å; Y50-L54 HydrophobicContact CE1-CG 4.5Å; Y50-L54 HydrophobicContact CE2-CD1 4.13Å; Y50-L54 HydrophobicContact CE2-CD2 3.91Å; Y50-L54 HydrophobicContact CE2-CG 3.88Å; Y50-L54 WeakPolarHBondContact O-CG 3.36Å; Y50-L54 PolarHBondContact O-N 3.46Å |
| 51 | I | 97.8 | Very high | 93.5 | Very high | 102 Ų | 102 | 88.6 Ų | 88.6 | 52% | 0.523 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 170.6 | -67.6 | 163.6 | 0 | 0 | 0 | 110.1 | A47 F53 L54 V55 | A47-I51 WeakPolarHBondContact O-CG1 3.34Å; A47-I51 PolarHBondContact O-N 3.01Å; I51-F53 VanDerWaalsContact C-N 3.3Å; I51-F53 PolarHBondContact O-N 3.41Å; I51-L54 PolarHBondContact O-N 2.88Å; I51-V55 HydrophobicContact CG2-CG2 4.48Å; I51-V55 WeakPolarHBondContact O-CG2 3.3Å; I51-V55 PolarHBondContact O-N 2.59Å |
| 52 | N | 94.9 | Very high | 91.5 | Very high | 104 Ų | 104 | 88.1 Ų | 88.1 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.3 | -34.2 | 178.2 | -69.1 | -12.7 | 0 | 0 | 0 | 113 | M48 R49 Y50 K56 | M48-N52 VanDerWaalsContact O-CG 3.29Å; M48-N52 PolarHBondContact O-N 3.31Å; M48-N52 VanDerWaalsContact O-N 3.12Å; M48-N52 PolarHBondContact O-ND2 3.37Å; R49-N52 PolarHBondContact O-N 3.39Å; Y50-N52 PolarHBondContact O-N 3.15Å; N52-K56 WeakPolarHBondContact O-CG 3.44Å; N52-K56 PolarHBondContact O-N 3.29Å; N52-K56 VanDerWaalsContact O-N 3.12Å |
| 53 | F | 96.4 | Very high | 89.3 | Confident | 119 Ų | 119 | 88.3 Ų | 88.3 | 52% | 0.522 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 173.5 | 170.1 | -99 | 0 | 0 | 0 | 111.8 | R49 Y50 I51 V55 K56 V57 | R49-F53 WeakPolarHBondContact O-CB 3.49Å; R49-F53 PolarHBondContact O-N 2.89Å; Y50-F53 AromaticContact CD2-CD1 3.96Å; Y50-F53 HydrophobicContact CD2-CD1 3.96Å; Y50-F53 AromaticContact CE2-CD1 3.99Å; Y50-F53 HydrophobicContact CE2-CD1 3.99Å; Y50-F53 HydrophobicContact CE2-CE1 4.42Å; Y50-F53 WeakPolarHBondContact O-CB 3.49Å; Y50-F53 PolarHBondContact O-N 2.75Å; I51-F53 VanDerWaalsContact C-N 3.3Å; I51-F53 PolarHBondContact O-N 3.41Å; F53-V55 PolarHBondContact O-N 2.79Å; F53-K56 PolarHBondContact O-N 3.44Å; F53-V57 HydrophobicContact CD1-CG2 4.43Å; F53-V57 HydrophobicContact CD2-CG2 4.23Å; F53-V57 HydrophobicContact CE1-CG2 4.01Å; F53-V57 HydrophobicContact CE2-CG2 3.78Å; F53-V57 HydrophobicContact CZ-CG2 3.67Å; F53-V57 WeakPolarHBondContact O-CG2 3.49Å; F53-V57 PolarHBondContact O-N 3.2Å |
| 54 | L | 95.8 | Very high | 86.7 | Confident | 68 Ų | 68 | 96 Ų | 96 | 36% | 0.356 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 177.7 | -68.5 | 174.2 | 0 | 0 | 0 | 111.8 | Y50 I51 K56 V57 L58 | Y50-L54 HydrophobicContact CD1-CD1 4.24Å; Y50-L54 HydrophobicContact CD2-CG 4.24Å; Y50-L54 HydrophobicContact CE1-CD1 3.85Å; Y50-L54 HydrophobicContact CE1-CG 4.5Å; Y50-L54 HydrophobicContact CE2-CD1 4.13Å; Y50-L54 HydrophobicContact CE2-CD2 3.91Å; Y50-L54 HydrophobicContact CE2-CG 3.88Å; Y50-L54 WeakPolarHBondContact O-CG 3.36Å; Y50-L54 PolarHBondContact O-N 3.46Å; I51-L54 PolarHBondContact O-N 2.88Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.23Å; L54-V57 PolarHBondContact O-N 2.8Å; L54-L58 WeakPolarHBondContact O-CB 3.44Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.26Å; L54-L58 PolarHBondContact O-N 3.02Å |
| 55 | V | 94.9 | Very high | 84.3 | Confident | 96 Ų | 96 | 100.2 Ų | 100.2 | 58% | 0.582 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.9 | -42.4 | 175 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | I51 F53 G59 | I51-V55 HydrophobicContact CG2-CG2 4.48Å; I51-V55 WeakPolarHBondContact O-CG2 3.3Å; I51-V55 PolarHBondContact O-N 2.59Å; F53-V55 PolarHBondContact O-N 2.79Å; V55-G59 PolarHBondContact O-N 3.49Å |
| 56 | K | 92.6 | Very high | 81.7 | Confident | 136 Ų | 136 | 96.5 Ų | 96.5 | 59% | 0.591 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.2 | -52.1 | 175.2 | -79.4 | -170.2 | 173.8 | -153.7 | 0 | 112.7 | N52 F53 L54 L58 G59 E60 | N52-K56 WeakPolarHBondContact O-CG 3.44Å; N52-K56 PolarHBondContact O-N 3.29Å; N52-K56 VanDerWaalsContact O-N 3.12Å; F53-K56 PolarHBondContact O-N 3.44Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.23Å; K56-L58 VanDerWaalsContact C-N 3.26Å; K56-L58 PolarHBondContact O-N 3.05Å; K56-G59 PolarHBondContact O-N 3.46Å; K56-E60 WeakPolarHBondContact O-CB 3.3Å; K56-E60 VanDerWaalsContact O-CG 3.28Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 2.72Å |
| 57 | V | 94.6 | Very high | 79.1 | Confident | 47 Ų | 47 | 98.5 Ų | 98.5 | 29% | 0.285 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.6 | -39.7 | -179.3 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | F53 L54 Q61 | F53-V57 HydrophobicContact CD1-CG2 4.43Å; F53-V57 HydrophobicContact CD2-CG2 4.23Å; F53-V57 HydrophobicContact CE1-CG2 4.01Å; F53-V57 HydrophobicContact CE2-CG2 3.78Å; F53-V57 HydrophobicContact CZ-CG2 3.67Å; F53-V57 WeakPolarHBondContact O-CG2 3.49Å; F53-V57 PolarHBondContact O-N 3.2Å; L54-V57 PolarHBondContact O-N 2.8Å; V57-Q61 VanDerWaalsContact O-CG 3.24Å; V57-Q61 WeakPolarHBondContact O-CG 3.27Å; V57-Q61 PolarHBondContact O-N 2.97Å |
| 58 | L | 93.3 | Very high | 76.6 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 60% | 0.597 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.2 | -34.2 | 177 | -65.3 | 169.9 | 0 | 0 | 0 | 112.8 | L54 K56 | L54-L58 WeakPolarHBondContact O-CB 3.44Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.26Å; L54-L58 PolarHBondContact O-N 3.02Å; K56-L58 VanDerWaalsContact C-N 3.26Å; K56-L58 PolarHBondContact O-N 3.05Å |
| 59 | G | 86.3 | Confident | 74.2 | Confident | 33 Ų | 33 | 103 Ų | 103 | 34% | 0.34 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.2 | -40.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V55 K56 Q61 S62 L63 | V55-G59 PolarHBondContact O-N 3.49Å; K56-G59 PolarHBondContact O-N 3.46Å; G59-Q61 VanDerWaalsContact C-N 3.26Å; G59-Q61 PolarHBondContact O-N 3.19Å; G59-S62 WeakPolarHBondContact O-CA 3.46Å; G59-S62 VanDerWaalsContact O-CB 3.3Å; G59-S62 WeakPolarHBondContact O-CB 3.48Å; G59-S62 PolarHBondContact O-N 2.88Å; G59-L63 PolarHBondContact O-N 2.79Å; G59-L63 VanDerWaalsContact O-N 3.09Å |
| 60 | E | 72.7 | Confident | 72.1 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -26.8 | 178 | -71.7 | 163 | -159.5 | 0 | 0 | 112.1 | K56 S62 Q64 | K56-E60 WeakPolarHBondContact O-CB 3.3Å; K56-E60 VanDerWaalsContact O-CG 3.28Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 2.72Å; E60-S62 VanDerWaalsContact C-N 3.33Å; E60-Q64 WeakPolarHBondContact O-CG 3.1Å; E60-Q64 PolarHBondContact O-N 2.97Å; E60-Q64 PolarHBondContact O-NE2 3.19Å |
| 61 | Q | 61.3 | Low | 70.3 | Confident | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.8 | -25.9 | 169.7 | -73.3 | 168 | 16.1 | 0 | 0 | 113.1 | V57 G59 | V57-Q61 VanDerWaalsContact O-CG 3.24Å; V57-Q61 WeakPolarHBondContact O-CG 3.27Å; V57-Q61 PolarHBondContact O-N 2.97Å; G59-Q61 VanDerWaalsContact C-N 3.26Å; G59-Q61 PolarHBondContact O-N 3.19Å |
| 62 | S | 56.7 | Low | 67.8 | Low | 71 Ų | 71 | 102.8 Ų | 102.8 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78.9 | -46.2 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | G59 E60 Q64 Q65 | G59-S62 WeakPolarHBondContact O-CA 3.46Å; G59-S62 VanDerWaalsContact O-CB 3.3Å; G59-S62 WeakPolarHBondContact O-CB 3.48Å; G59-S62 PolarHBondContact O-N 2.88Å; E60-S62 VanDerWaalsContact C-N 3.33Å; S62-Q64 PolarHBondContact O-N 3.37Å; S62-Q65 PolarHBondContact O-N 3.47Å |
| 63 | L | 50.9 | Low | 65.7 | Low | 77 Ų | 77 | 104.7 Ų | 104.7 | 40% | 0.403 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.6 | -18.2 | -177.1 | -61.6 | -172.9 | 0 | 0 | 0 | 114 | G59 Q65 T66 A70 | G59-L63 PolarHBondContact O-N 2.79Å; G59-L63 VanDerWaalsContact O-N 3.09Å; L63-Q65 PolarHBondContact O-N 3.03Å; L63-T66 CarbonylContact O-C 3.53Å; L63-T66 PolarHBondContact O-N 3.19Å; L63-T66 VanDerWaalsContact O-N 3.1Å; L63-T66 VanDerWaalsContact O-O 3.1Å; L63-A70 HydrophobicContact CD1-CB 4.3Å |
| 64 | Q | 45.5 | Very low | 64 | Low | 161 Ų | 161 | 104.2 Ų | 104.2 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -10.4 | 169.7 | -78.9 | 172.5 | 72.3 | 0 | 0 | 113.9 | E60 S62 | E60-Q64 WeakPolarHBondContact O-CG 3.1Å; E60-Q64 PolarHBondContact O-N 2.97Å; E60-Q64 PolarHBondContact O-NE2 3.19Å; S62-Q64 PolarHBondContact O-N 3.37Å |
| 65 | Q | 48.8 | Very low | 61.9 | Low | 172 Ų | 172 | 108.3 Ų | 108.3 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -13 | 170.8 | -66 | 175.3 | 54.4 | 0 | 0 | 113.4 | S62 L63 | S62-Q65 PolarHBondContact O-N 3.47Å; L63-Q65 PolarHBondContact O-N 3.03Å |
| 66 | T | 43.6 | Very low | 59.6 | Low | 80 Ų | 80 | 106.8 Ų | 106.8 | 49% | 0.491 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -141 | 97.2 | -178.7 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | L63 V68 | L63-T66 CarbonylContact O-C 3.53Å; L63-T66 PolarHBondContact O-N 3.19Å; L63-T66 VanDerWaalsContact O-N 3.1Å; L63-T66 VanDerWaalsContact O-O 3.1Å; T66-V68 VanDerWaalsContact C-N 3.34Å; T66-V68 PolarHBondContact O-N 3.04Å |
| 67 | G | 43.1 | Very low | 57.8 | Low | 85 Ų | 85 | 107.8 Ų | 107.8 | 88% | 0.876 | 64% | 0.64 | S | S | * | * | trans | -72.4 | 74.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 68 | V | 46.3 | Very low | 55.7 | Low | 98 Ų | 98 | 113.6 Ų | 113.6 | 59% | 0.594 | 66% | 0.662 | S | S | * | * | trans | -124 | 129.4 | 171.8 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | T66 A70 | T66-V68 VanDerWaalsContact C-N 3.34Å; T66-V68 PolarHBondContact O-N 3.04Å; V68-A70 PolarHBondContact O-N 3.15Å | ||
| 69 | P | 46.1 | Very low | 53.6 | Low | 125 Ų | 125 | 114.2 Ų | 114.2 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | trans | -78.1 | 96.1 | -177.3 | 30.6 | -34 | 0 | 0 | 0 | 111.2 | Q71 | P69-Q71 PolarHBondContact O-N 3.26Š| ||
| 70 | A | 54.7 | Low | 51.8 | Low | 81 Ų | 81 | 121 Ų | 121 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | trans | -71 | 83.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L63 V68 G72 | L63-A70 HydrophobicContact CD1-CB 4.3Å; V68-A70 PolarHBondContact O-N 3.15Å; A70-G72 PolarHBondContact O-N 3.15Å | ||
| 71 | Q | 59.3 | Low | 50.8 | Low | 201 Ų | 201 | 118.6 Ų | 118.6 | 94% | 0.939 | 70% | 0.699 | S | S | * | * | trans | -72.8 | 103.2 | 159.8 | -68.7 | -158.5 | 23.1 | 0 | 0 | 109.3 | P69 | P69-Q71 PolarHBondContact O-N 3.26Š| ||
| 72 | G | 46.2 | Very low | 50.4 | Low | 74 Ų | 74 | 119.1 Ų | 119.1 | 76% | 0.763 | 71% | 0.712 | S | S | * | * | trans | -168.5 | 94.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A70 | A70-G72 PolarHBondContact O-N 3.15Š| ||
| 73 | N | 51 | Low | 50.3 | Low | 145 Ų | 145 | 124 Ų | 124 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -97.7 | 159.6 | 164.3 | -167.1 | 63.5 | 0 | 0 | 0 | 108.9 | ||||
| 74 | I | 60.1 | Low | 50 | Low | 108 Ų | 108 | 127.7 Ų | 127.7 | 55% | 0.554 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -156.9 | -103.6 | 133.6 | 24 | 155.4 | 0 | 0 | 0 | 110.9 | ||
| 75 | L | 51.8 | Low | 50.1 | Low | 155 Ų | 155 | 125.2 Ų | 125.2 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | S | Bend | cis | 51.3 | 28.9 | -2.9 | -42.9 | 174 | 0 | 0 | 0 | 118.7 | L77 | L75-L77 PolarHBondContact O-N 3.37Š|
| 76 | G | 47.6 | Very low | 50.1 | Low | 64 Ų | 64 | 120.6 Ų | 120.6 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 48.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 77 | L | 55 | Low | 50.2 | Low | 156 Ų | 156 | 124.6 Ų | 124.6 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -12.2 | 171.2 | -106.2 | 69 | 0 | 0 | 0 | 113.2 | L75 | L75-L77 PolarHBondContact O-N 3.37Š|
| 78 | F | 49.2 | Very low | 50.3 | Low | 170 Ų | 170 | 128 Ų | 128 | 75% | 0.746 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -124.6 | 123.3 | 177.7 | -66.2 | -80.6 | 0 | 0 | 0 | 109.7 | Q80 | F78-Q80 PolarHBondContact O-N 3.33Š|
| 79 | P | 48.6 | Very low | 50.5 | Low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 120.5 | 162.7 | -16 | 30.3 | 0 | 0 | 0 | 108.6 | G81 | P79-G81 PolarHBondContact O-N 3.47Š|
| 80 | Q | 50.2 | Low | 50.4 | Low | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 118.9 | 160.3 | -70.4 | -76.2 | 17.9 | 0 | 0 | 106.7 | F78 | F78-Q80 PolarHBondContact O-N 3.33Š|
| 81 | G | 51.7 | Low | 50.2 | Low | 55 Ų | 55 | 137.4 Ų | 137.4 | 57% | 0.567 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 159 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P79 H83 | P79-G81 PolarHBondContact O-N 3.47Å; G81-H83 PolarHBondContact O-N 3.21Å |
| 82 | P | 51.9 | Low | 49.4 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 125.4 | 177.4 | -24.3 | 34.3 | 0 | 0 | 0 | 111.3 | L84 | P82-L84 PolarHBondContact O-N 3.21Š|
| 83 | H | 54.4 | Low | 49.7 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -69.1 | 92.8 | 173.2 | 174.6 | -74 | 0 | 0 | 0 | 109.2 | G81 P85 | G81-H83 PolarHBondContact O-N 3.21Å; H83-P85 WeakPolarHBondContact O-CD 3.48Å | ||
| 84 | L | 45.3 | Very low | 49.6 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -71.7 | 120.4 | 175.2 | -75.9 | 169.4 | 0 | 0 | 0 | 110.1 | P82 | P82-L84 PolarHBondContact O-N 3.21Š| ||
| 85 | P | 46.8 | Very low | 49 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -82.3 | 124.5 | 174.7 | 32.5 | -30.9 | 0 | 0 | 0 | 110.5 | H83 | H83-P85 WeakPolarHBondContact O-CD 3.48Š| ||
| 86 | G | 49 | Very low | 48.6 | Very low | 74 Ų | 74 | 144.1 Ų | 144.1 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 82.6 | 103.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 87 | L | 46 | Very low | 48.7 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | -142.4 | 140 | 125 | -157.2 | 73.3 | 0 | 0 | 0 | 108.8 | |||||
| 88 | E | 46.2 | Very low | 48.7 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 136.5 | -164.7 | 42.4 | -93.8 | 66.2 | 0 | 0 | 115.5 | ||||
| 89 | D | 48.6 | Very low | 48.4 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 34.5 | 91.3 | 136.6 | -164.7 | 8.3 | 0 | 0 | 0 | 118.6 | ||||
| 90 | R | 45.5 | Very low | 48.7 | Very low | 235 Ų | 235 | 143.5 Ų | 143.5 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -141.6 | 114 | 139.1 | -82 | -150.1 | 150.7 | 134.8 | 2.6 | 112.6 | ||||
| 91 | T | 49 | Very low | 48.8 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -84.2 | 137.1 | 158.7 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 92 | P | 44.1 | Very low | 48.8 | Very low | 128 Ų | 128 | 141 Ų | 141 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -129.6 | 82.1 | 161.6 | 28.6 | -9.3 | 0 | 0 | 0 | 110.6 | ||||
| 93 | L | 52.1 | Low | 49 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -95.8 | 106.7 | 165.6 | -174 | 172.6 | 0 | 0 | 0 | 106.2 | ||||
| 94 | E | 48.5 | Very low | 49.1 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -166.6 | -13.6 | 168.4 | -155.3 | 56 | -176.8 | 0 | 0 | 116.5 | ||||
| 95 | N | 47 | Very low | 49.6 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -106.9 | 24.1 | -166 | -79 | -76.4 | 0 | 0 | 0 | 117.1 | ||||
| 96 | Y | 43.5 | Very low | 49.8 | Very low | 228 Ų | 228 | 141.3 Ų | 141.3 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -122.5 | 63.4 | 169.7 | -78.8 | -73.5 | 0 | 0 | 0 | 111.6 | V98 | Y96-V98 PolarHBondContact O-N 3.18Š| ||
| 97 | Q | 49.2 | Very low | 49.3 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -67 | 99.7 | 170.2 | -179 | 61.7 | 73.4 | 0 | 0 | 110.2 | ||||
| 98 | V | 54.9 | Low | 50.1 | Low | 107 Ų | 107 | 145.4 Ų | 145.4 | 65% | 0.648 | 79% | 0.792 | S | S | * | * | trans | -73.6 | 130.3 | 168.8 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | Y96 S100 | Y96-V98 PolarHBondContact O-N 3.18Å; V98-S100 PolarHBondContact O-N 3.23Å | ||
| 99 | P | 44.3 | Very low | 50.3 | Low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -68.3 | 113.3 | 169.2 | -18.6 | 32.5 | 0 | 0 | 0 | 109.8 | ||||
| 100 | S | 54.4 | Low | 50.3 | Low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124.9 | 177.3 | -169 | 0 | 0 | 0 | 0 | 110.4 | V98 G102 | V98-S100 PolarHBondContact O-N 3.23Å; S100-G102 PolarHBondContact O-N 3.37Å |
| 101 | P | 52.5 | Low | 50.6 | Low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 124.7 | 169.2 | 28.6 | -32.1 | 0 | 0 | 0 | 109.3 | ||
| 102 | G | 51.8 | Low | 50.7 | Low | 59 Ų | 59 | 140.9 Ų | 140.9 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 163.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | S100 S104 | S100-G102 PolarHBondContact O-N 3.37Å; G102-S104 PolarHBondContact O-N 3.13Å |
| 103 | P | 54.9 | Low | 51.1 | Low | 111 Ų | 111 | 141.8 Ų | 141.8 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.1 | -178.6 | 28.7 | -34.4 | 0 | 0 | 0 | 111.3 | H105 | P103-H105 PolarHBondContact O-CD2 3.48Å; P103-H105 PolarHBondContact O-N 3.38Å; P103-H105 VanDerWaalsContact O-N 3.13Å |
| 104 | S | 57.4 | Low | 51.1 | Low | 125 Ų | 125 | 140.9 Ų | 140.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 110.2 | 166.3 | -63.8 | 0 | 0 | 0 | 0 | 109.5 | G102 | G102-S104 PolarHBondContact O-N 3.13Š| ||
| 105 | H | 56.6 | Low | 51.2 | Low | 175 Ų | 175 | 139.6 Ų | 139.6 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -65.6 | 140 | 177.1 | -85.4 | -110.2 | 0 | 0 | 0 | 111.7 | P103 | P103-H105 PolarHBondContact O-CD2 3.48Å; P103-H105 PolarHBondContact O-N 3.38Å; P103-H105 VanDerWaalsContact O-N 3.13Å | ||
| 106 | H | 50.8 | Low | 51.6 | Low | 155 Ų | 155 | 138.5 Ų | 138.5 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -80.9 | 176.2 | 165.1 | -170.5 | -77.8 | 0 | 0 | 0 | 110 | ||||
| 107 | I | 37.5 | Very low | 52.2 | Low | 138 Ų | 138 | 131 Ų | 131 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | 85.8 | 138.7 | 169.3 | -46.7 | -75.3 | 0 | 0 | 0 | 113.6 | ||||
| 108 | P | 62.3 | Low | 52.5 | Low | 187 Ų | 187 | 127.3 Ų | 127.3 | 100% | 1.214 | 78% | 0.78 | S | S | * | * | cis | -98.4 | 0 | -7.7 | 10.5 | 11.3 | 0 | 0 | 0 | 113.4 |
Retrieved 108 of 108 residues in 75.7 ms
(Link to these results)