| 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 | 48.8 | Very low | 73 | Confident | 216 Ų | 216 | 154.5 Ų | 154.5 | 100% | 1.064 | 76% | 0.762 | S | S | * | * | 0 | 89.5 | 0 | -83 | -104.8 | 176.5 | 0 | 0 | 102.7 | D3 | M1-D3 PolarHBondContact O-N 3.49Š| |||
| 2 | D | 66.3 | Low | 74 | Confident | 140 Ų | 140 | 157.4 Ų | 157.4 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -97.2 | 92.7 | -159.6 | -45.3 | -13.4 | 0 | 0 | 0 | 102.9 | N4 | D2-N4 PolarHBondContact O-N 2.96Å; D2-N4 PolarHBondContact O-ND2 3.43Å | ||
| 3 | D | 71.6 | Confident | 74.9 | Confident | 144 Ų | 144 | 156.2 Ų | 156.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -62.6 | 90.8 | -176.1 | -68.9 | -25.4 | 0 | 0 | 0 | 107.9 | M1 F5 | M1-D3 PolarHBondContact O-N 3.49Å; D3-F5 PolarHBondContact O-N 2.9Å | ||
| 4 | N | 75.3 | Confident | 75.7 | Confident | 147 Ų | 147 | 156.3 Ų | 156.3 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -69.2 | 70.7 | 170.4 | -77.7 | -82.8 | 0 | 0 | 0 | 107.1 | D2 I6 | D2-N4 PolarHBondContact O-N 2.96Å; D2-N4 PolarHBondContact O-ND2 3.43Å; N4-I6 PolarHBondContact O-N 3.28Å; N4-I6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | F | 75.2 | Confident | 76.3 | Confident | 159 Ų | 159 | 149.3 Ų | 149.3 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | trans | -71.2 | 107.6 | 172.8 | 96.1 | -82.8 | 0 | 0 | 0 | 106.5 | D3 K7 | D3-F5 PolarHBondContact O-N 2.9Å; F5-K7 HydrophobicContact CD2-CB 4.16Å; F5-K7 HydrophobicContact CE2-CB 3.46Å; F5-K7 VanDerWaalsContact CE2-CB 3.46Å; F5-K7 HydrophobicContact CE2-CD 4.08Å; F5-K7 HydrophobicContact CE2-CG 3.85Å; F5-K7 HydrophobicContact CZ-CB 4.07Å; F5-K7 HydrophobicContact CZ-CD 4.33Å; F5-K7 PolarHBondContact O-N 2.71Å; F5-K7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | I | 77.2 | Confident | 77.1 | Confident | 143 Ų | 143 | 143.9 Ų | 143.9 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | -71.9 | 104.6 | 168.7 | -62.5 | 173.7 | 0 | 0 | 0 | 105.3 | N4 L8 | N4-I6 PolarHBondContact O-N 3.28Å; N4-I6 VanDerWaalsContact O-N 3.08Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 WeakPolarHBondContact O-CD1 3.01Å; I6-L8 PolarHBondContact O-N 2.78Å | ||
| 7 | K | 76.1 | Confident | 77.7 | Confident | 158 Ų | 158 | 138.8 Ų | 138.8 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | trans | -67.2 | 96.4 | 170.6 | -164.4 | 171.1 | -176.4 | 174.7 | 0 | 107.8 | F5 M9 | F5-K7 HydrophobicContact CD2-CB 4.16Å; F5-K7 HydrophobicContact CE2-CB 3.46Å; F5-K7 VanDerWaalsContact CE2-CB 3.46Å; F5-K7 HydrophobicContact CE2-CD 4.08Å; F5-K7 HydrophobicContact CE2-CG 3.85Å; F5-K7 HydrophobicContact CZ-CB 4.07Å; F5-K7 HydrophobicContact CZ-CD 4.33Å; F5-K7 PolarHBondContact O-N 2.71Å; F5-K7 VanDerWaalsContact O-N 3.07Å; K7-M9 VanDerWaalsContact C-N 3.31Å; K7-M9 PolarHBondContact O-N 3.39Å | ||
| 8 | L | 76.6 | Confident | 78.1 | Confident | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | trans | -64.9 | 96.6 | 169.4 | -71.1 | 100.1 | 0 | 0 | 0 | 107.6 | I6 | I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 WeakPolarHBondContact O-CD1 3.01Å; I6-L8 PolarHBondContact O-N 2.78Å | ||
| 9 | M | 77 | Confident | 78.4 | Confident | 159 Ų | 159 | 135.6 Ų | 135.6 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 131 | 167.8 | -74.3 | -175.8 | 86.8 | 0 | 0 | 107.8 | K7 | K7-M9 VanDerWaalsContact C-N 3.31Å; K7-M9 PolarHBondContact O-N 3.39Å |
| 10 | P | 78.2 | Confident | 78.8 | Confident | 93 Ų | 93 | 132.4 Ų | 132.4 | 60% | 0.604 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.9 | 173.8 | 25.3 | -32.6 | 0 | 0 | 0 | 108.9 | ||
| 11 | R | 81.1 | Confident | 79 | Confident | 185 Ų | 185 | 132 Ų | 132 | 70% | 0.698 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 147 | 172.1 | -59.2 | -158.5 | -162.7 | -109.9 | 8 | 108.9 | E13 Y14 A15 | R11-E13 PolarHBondContact O-N 3.06Å; R11-Y14 HydrophobicContact CB-CD2 4Å; R11-Y14 HydrophobicContact CB-CE2 4.49Å; R11-Y14 PolarHBondContact O-N 3.48Å; R11-A15 PolarHBondContact O-N 3.47Å |
| 12 | K | 84.9 | Confident | 80.5 | Confident | 190 Ų | 190 | 125.4 Ų | 125.4 | 83% | 0.826 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -51.5 | -34.7 | -178.1 | -62.1 | -179 | -179.3 | 178.8 | 0 | 112.5 | Y14 A15 S16 | K12-Y14 PolarHBondContact O-N 2.9Å; K12-A15 PolarHBondContact O-N 2.85Å; K12-S16 PolarHBondContact O-N 3.21Å; K12-S16 PolarHBondContact O-OG 3.35Å |
| 13 | E | 85.9 | Confident | 81.1 | Confident | 141 Ų | 141 | 122.8 Ų | 122.8 | 66% | 0.659 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.4 | -42.6 | 176.4 | -65.8 | 161.8 | -165.4 | 0 | 0 | 113.2 | R11 S16 A17 | R11-E13 PolarHBondContact O-N 3.06Å; E13-S16 WeakPolarHBondContact CA-OG 3.28Å; E13-S16 PolarHBondContact O-N 3.39Å; E13-S16 PolarHBondContact O-OG 2.76Å; E13-A17 VanDerWaalsContact O-CB 3.32Å; E13-A17 WeakPolarHBondContact O-CB 3.45Å; E13-A17 PolarHBondContact O-N 2.81Å |
| 14 | Y | 86.2 | Confident | 81.3 | Confident | 158 Ų | 158 | 122.5 Ų | 122.5 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.4 | -39 | 177.4 | -72.6 | -77.7 | 0 | 0 | 0 | 111.5 | R11 K12 S16 A17 Y18 | R11-Y14 HydrophobicContact CB-CD2 4Å; R11-Y14 HydrophobicContact CB-CE2 4.49Å; R11-Y14 PolarHBondContact O-N 3.48Å; K12-Y14 PolarHBondContact O-N 2.9Å; Y14-S16 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 3.39Å; Y14-A17 PolarHBondContact O-N 2.95Å; Y14-Y18 VanDerWaalsContact O-CB 3.26Å; Y14-Y18 WeakPolarHBondContact O-CB 3.26Å; Y14-Y18 PolarHBondContact O-N 2.78Å |
| 15 | A | 84.7 | Confident | 80.9 | Confident | 52 Ų | 52 | 120 Ų | 120 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.6 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R11 K12 S19 | R11-A15 PolarHBondContact O-N 3.47Å; K12-A15 PolarHBondContact O-N 2.85Å; A15-S19 PolarHBondContact O-N 3.3Å; A15-S19 PolarHBondContact O-OG 3.48Å |
| 16 | S | 88.6 | Confident | 80.5 | Confident | 62 Ų | 62 | 116.8 Ų | 116.8 | 43% | 0.434 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.8 | -38.6 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | K12 E13 Y14 S19 T20 | K12-S16 PolarHBondContact O-N 3.21Å; K12-S16 PolarHBondContact O-OG 3.35Å; E13-S16 WeakPolarHBondContact CA-OG 3.28Å; E13-S16 PolarHBondContact O-N 3.39Å; E13-S16 PolarHBondContact O-OG 2.76Å; Y14-S16 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 3.39Å; S16-S19 PolarHBondContact O-N 3.49Å; S16-S19 PolarHBondContact O-OG 2.9Å; S16-T20 WeakPolarHBondContact O-CB 3.45Å; S16-T20 PolarHBondContact O-N 3Å; S16-T20 PolarHBondContact O-OG1 3.38Å |
| 17 | A | 87.1 | Confident | 80 | Confident | 58 Ų | 58 | 112.9 Ų | 112.9 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.1 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E13 Y14 T20 Y21 | E13-A17 VanDerWaalsContact O-CB 3.32Å; E13-A17 WeakPolarHBondContact O-CB 3.45Å; E13-A17 PolarHBondContact O-N 2.81Å; Y14-A17 PolarHBondContact O-N 2.95Å; A17-T20 PolarHBondContact O-N 3.49Å; A17-Y21 WeakPolarHBondContact O-CB 3.4Å; A17-Y21 PolarHBondContact O-N 3.07Å |
| 18 | Y | 84.9 | Confident | 79.9 | Confident | 148 Ų | 148 | 110 Ų | 110 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -44.2 | 175.7 | -178.2 | -96.7 | 0 | 0 | 0 | 112.2 | Y14 T20 Y21 M22 | Y14-Y18 VanDerWaalsContact O-CB 3.26Å; Y14-Y18 WeakPolarHBondContact O-CB 3.26Å; Y14-Y18 PolarHBondContact O-N 2.78Å; Y18-T20 VanDerWaalsContact C-N 3.29Å; Y18-T20 PolarHBondContact O-N 2.91Å; Y18-Y21 PolarHBondContact O-N 3.47Å; Y18-M22 HydrophobicContact CD1-CG 4.09Å; Y18-M22 HydrophobicContact CD2-CE 4.37Å; Y18-M22 HydrophobicContact CE1-CE 4.48Å; Y18-M22 HydrophobicContact CE1-CG 3.71Å; Y18-M22 HydrophobicContact CE2-CE 3.52Å; Y18-M22 HydrophobicContact CE2-CG 4.21Å; Y18-M22 HydrophobicContact CG-CG 4.49Å; Y18-M22 WeakPolarHBondContact O-CB 3.48Å; Y18-M22 VanDerWaalsContact O-CG 3.24Å; Y18-M22 WeakPolarHBondContact O-CG 3.38Å; Y18-M22 PolarHBondContact O-N 3.5Å; Y18-M22 WeakPolarHBondContact OH-CE 3.32Å |
| 19 | S | 85 | Confident | 80.1 | Confident | 68 Ų | 68 | 105.1 Ų | 105.1 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -36.7 | 176.6 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | A15 S16 S23 | A15-S19 PolarHBondContact O-N 3.3Å; A15-S19 PolarHBondContact O-OG 3.48Å; S16-S19 PolarHBondContact O-N 3.49Å; S16-S19 PolarHBondContact O-OG 2.9Å; S19-S23 VanDerWaalsContact O-CB 3.27Å; S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-N 2.85Å |
| 20 | T | 85 | Confident | 80.4 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 44% | 0.436 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.5 | -48.4 | 176.1 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | S16 A17 Y18 M22 S23 E24 | S16-T20 WeakPolarHBondContact O-CB 3.45Å; S16-T20 PolarHBondContact O-N 3Å; S16-T20 PolarHBondContact O-OG1 3.38Å; A17-T20 PolarHBondContact O-N 3.49Å; Y18-T20 VanDerWaalsContact C-N 3.29Å; Y18-T20 PolarHBondContact O-N 2.91Å; T20-M22 VanDerWaalsContact C-N 3.34Å; T20-M22 PolarHBondContact O-N 3.36Å; T20-S23 CarbonylContact O-C 3.58Å; T20-S23 WeakPolarHBondContact O-CB 3.42Å; T20-S23 PolarHBondContact O-N 2.9Å; T20-S23 VanDerWaalsContact O-N 3.08Å; T20-E24 HydrophobicContact CG2-CG 4.41Å; T20-E24 WeakPolarHBondContact O-CG 3.28Å; T20-E24 PolarHBondContact O-N 3.14Å |
| 21 | Y | 82.5 | Confident | 80.8 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 49% | 0.494 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57.7 | -44.6 | 175.3 | 178.3 | -97.7 | 0 | 0 | 0 | 112.3 | A17 Y18 S23 E24 N25 | A17-Y21 WeakPolarHBondContact O-CB 3.4Å; A17-Y21 PolarHBondContact O-N 3.07Å; Y18-Y21 PolarHBondContact O-N 3.47Å; Y21-S23 VanDerWaalsContact C-N 3.32Å; Y21-S23 PolarHBondContact O-N 3.36Å; Y21-E24 PolarHBondContact O-N 3.31Å; Y21-N25 WeakPolarHBondContact O-CB 2.9Å; Y21-N25 PolarHBondContact O-N 3.03Å; Y21-N25 PolarHBondContact O-OD1 3.11Å; Y21-N25 PolarHBondContact OH-ND2 2.95Å |
| 22 | M | 81.3 | Confident | 81.1 | Confident | 76 Ų | 76 | 98 Ų | 98 | 37% | 0.374 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.6 | -37.5 | 176 | -71.2 | -72.1 | 144.5 | 0 | 0 | 111.6 | Y18 T20 S26 | Y18-M22 HydrophobicContact CD1-CG 4.09Å; Y18-M22 HydrophobicContact CD2-CE 4.37Å; Y18-M22 HydrophobicContact CE1-CE 4.48Å; Y18-M22 HydrophobicContact CE1-CG 3.71Å; Y18-M22 HydrophobicContact CE2-CE 3.52Å; Y18-M22 HydrophobicContact CE2-CG 4.21Å; Y18-M22 HydrophobicContact CG-CG 4.49Å; Y18-M22 WeakPolarHBondContact O-CB 3.48Å; Y18-M22 VanDerWaalsContact O-CG 3.24Å; Y18-M22 WeakPolarHBondContact O-CG 3.38Å; Y18-M22 PolarHBondContact O-N 3.5Å; Y18-M22 WeakPolarHBondContact OH-CE 3.32Å; T20-M22 VanDerWaalsContact C-N 3.34Å; T20-M22 PolarHBondContact O-N 3.36Å; M22-S26 VanDerWaalsContact O-CB 3.26Å; M22-S26 WeakPolarHBondContact O-CB 3.44Å; M22-S26 PolarHBondContact O-N 3.04Å; M22-S26 PolarHBondContact O-OG 3.32Å |
| 23 | S | 78.8 | Confident | 81.2 | Confident | 85 Ų | 85 | 93.3 Ų | 93.3 | 59% | 0.594 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.1 | -42.7 | 177 | -170.4 | 0 | 0 | 0 | 0 | 112.7 | S19 T20 Y21 S26 G27 | S19-S23 VanDerWaalsContact O-CB 3.27Å; S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-N 2.85Å; T20-S23 CarbonylContact O-C 3.58Å; T20-S23 WeakPolarHBondContact O-CB 3.42Å; T20-S23 PolarHBondContact O-N 2.9Å; T20-S23 VanDerWaalsContact O-N 3.08Å; Y21-S23 VanDerWaalsContact C-N 3.32Å; Y21-S23 PolarHBondContact O-N 3.36Å; S23-S26 PolarHBondContact O-N 2.99Å; S23-G27 PolarHBondContact O-N 3.35Å |
| 24 | E | 75 | Confident | 81.6 | Confident | 139 Ų | 139 | 88.2 Ų | 88.2 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 177.1 | -77.2 | -178.8 | 173.7 | 0 | 0 | 110.8 | T20 Y21 S26 G27 | T20-E24 HydrophobicContact CG2-CG 4.41Å; T20-E24 WeakPolarHBondContact O-CG 3.28Å; T20-E24 PolarHBondContact O-N 3.14Å; Y21-E24 PolarHBondContact O-N 3.31Å; E24-S26 VanDerWaalsContact C-N 3.34Å; E24-S26 PolarHBondContact O-N 3.12Å; E24-G27 PolarHBondContact O-N 3.3Å |
| 25 | N | 68.3 | Low | 81.9 | Confident | 93 Ų | 93 | 85 Ų | 85 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.8 | -27.2 | 178.7 | -72.7 | 34.1 | 0 | 0 | 0 | 113.1 | Y21 G27 | Y21-N25 WeakPolarHBondContact O-CB 2.9Å; Y21-N25 PolarHBondContact O-N 3.03Å; Y21-N25 PolarHBondContact O-OD1 3.11Å; Y21-N25 PolarHBondContact OH-ND2 2.95Å; N25-G27 PolarHBondContact O-N 2.77Å |
| 26 | S | 66.3 | Low | 82.4 | Confident | 93 Ų | 93 | 84.8 Ų | 84.8 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.3 | -17.6 | 176.2 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | M22 S23 E24 | M22-S26 VanDerWaalsContact O-CB 3.26Å; M22-S26 WeakPolarHBondContact O-CB 3.44Å; M22-S26 PolarHBondContact O-N 3.04Å; M22-S26 PolarHBondContact O-OG 3.32Å; S23-S26 PolarHBondContact O-N 2.99Å; E24-S26 VanDerWaalsContact C-N 3.34Å; E24-S26 PolarHBondContact O-N 3.12Å |
| 27 | G | 65.8 | Low | 82.8 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 62% | 0.619 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S23 E24 N25 G29 | S23-G27 PolarHBondContact O-N 3.35Å; E24-G27 PolarHBondContact O-N 3.3Å; N25-G27 PolarHBondContact O-N 2.77Å; G27-G29 VanDerWaalsContact C-N 3.29Å; G27-G29 PolarHBondContact O-N 3.47Å |
| 28 | A | 74.4 | Confident | 83.2 | Confident | 97 Ų | 97 | 85.7 Ų | 85.7 | 80% | 0.802 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -17.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 29 | G | 80.2 | Confident | 83.8 | Confident | 54 Ų | 54 | 82.4 Ų | 82.4 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -83.2 | 148.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | G27 S31 | G27-G29 VanDerWaalsContact C-N 3.29Å; G27-G29 PolarHBondContact O-N 3.47Å; G29-S31 PolarHBondContact O-N 2.79Å |
| 30 | L | 83.4 | Confident | 84.4 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 139.4 | 165.1 | -66.7 | 173.6 | 0 | 0 | 0 | 109.4 | A34 I35 I38 | L30-A34 HydrophobicContact CB-CB 4.23Å; L30-I35 HydrophobicContact CB-CD1 4.36Å; L30-I35 HydrophobicContact CB-CG1 3.93Å; L30-I38 HydrophobicContact CD1-CD1 4.16Å |
| 31 | S | 87.6 | Confident | 85 | Confident | 65 Ų | 65 | 82.4 Ų | 82.4 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 148.7 | 174.4 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | G29 S33 A34 I35 | G29-S31 PolarHBondContact O-N 2.79Å; S31-S33 PolarHBondContact O-N 3.37Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-OG 3.41Å; S31-A34 WeakPolarHBondContact O-CB 3.19Å; S31-A34 PolarHBondContact O-N 2.82Å; S31-A34 WeakPolarHBondContact OG-CB 3.21Å; S31-A34 PolarHBondContact OG-N 2.86Å; S31-I35 PolarHBondContact O-N 3.13Å; S31-I35 VanDerWaalsContact O-N 3.12Å |
| 32 | S | 86.2 | Confident | 85.7 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 74% | 0.741 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -54.4 | -32.5 | 176.9 | -47.2 | 0 | 0 | 0 | 0 | 112.2 | A36 | S32-A36 WeakPolarHBondContact O-CB 3.48Å; S32-A36 PolarHBondContact O-N 3.45Å |
| 33 | S | 87.1 | Confident | 86.4 | Confident | 90 Ų | 90 | 80.9 Ų | 80.9 | 63% | 0.629 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -38.9 | 174.4 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | S31 G37 | S31-S33 PolarHBondContact O-N 3.37Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-OG 3.41Å; S33-G37 PolarHBondContact O-N 3.18Å |
| 34 | A | 94.4 | Very high | 87.3 | Confident | 35 Ų | 35 | 83.1 Ų | 83.1 | 29% | 0.289 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L30 S31 G37 I38 | L30-A34 HydrophobicContact CB-CB 4.23Å; S31-A34 WeakPolarHBondContact O-CB 3.19Å; S31-A34 PolarHBondContact O-N 2.82Å; S31-A34 WeakPolarHBondContact OG-CB 3.21Å; S31-A34 PolarHBondContact OG-N 2.86Å; A34-G37 PolarHBondContact O-N 2.85Å; A34-I38 VanDerWaalsContact O-CG1 3.27Å; A34-I38 WeakPolarHBondContact O-CG1 3.23Å; A34-I38 PolarHBondContact O-N 2.82Å |
| 35 | I | 93.8 | Very high | 88.4 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 176.7 | -61.3 | 166.3 | 0 | 0 | 0 | 110.3 | L30 S31 G37 I38 V39 | L30-I35 HydrophobicContact CB-CD1 4.36Å; L30-I35 HydrophobicContact CB-CG1 3.93Å; S31-I35 PolarHBondContact O-N 3.13Å; S31-I35 VanDerWaalsContact O-N 3.12Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.41Å; I35-I38 PolarHBondContact O-N 3.43Å; I35-V39 HydrophobicContact CG2-CG2 4.47Å; I35-V39 WeakPolarHBondContact O-CG2 3.29Å; I35-V39 PolarHBondContact O-N 3.48Å |
| 36 | A | 94.9 | Very high | 89.8 | Confident | 48 Ų | 48 | 77.9 Ų | 77.9 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | S32 V39 I40 | S32-A36 WeakPolarHBondContact O-CB 3.48Å; S32-A36 PolarHBondContact O-N 3.45Å; A36-V39 PolarHBondContact O-N 3.28Å; A36-I40 WeakPolarHBondContact O-CD1 3.47Å; A36-I40 VanDerWaalsContact O-CG1 3.26Å; A36-I40 WeakPolarHBondContact O-CG1 3.14Å; A36-I40 PolarHBondContact O-N 2.78Å |
| 37 | G | 96.6 | Very high | 91.2 | Very high | 42 Ų | 42 | 77.5 Ų | 77.5 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | S33 A34 I35 G41 | S33-G37 PolarHBondContact O-N 3.18Å; A34-G37 PolarHBondContact O-N 2.85Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.41Å; G37-G41 PolarHBondContact O-N 3.22Å |
| 38 | I | 96.5 | Very high | 92.7 | Very high | 96 Ų | 96 | 80 Ų | 80 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 176.9 | -65.8 | 162 | 0 | 0 | 0 | 110.4 | L30 A34 I35 I40 G41 V42 | L30-I38 HydrophobicContact CD1-CD1 4.16Å; A34-I38 VanDerWaalsContact O-CG1 3.27Å; A34-I38 WeakPolarHBondContact O-CG1 3.23Å; A34-I38 PolarHBondContact O-N 2.82Å; I35-I38 PolarHBondContact O-N 3.43Å; I38-I40 PolarHBondContact O-N 2.81Å; I38-G41 PolarHBondContact O-N 2.85Å; I38-V42 HydrophobicContact CG2-CG2 4.25Å; I38-V42 VanDerWaalsContact O-CG2 3.29Å; I38-V42 WeakPolarHBondContact O-CG2 3.29Å; I38-V42 PolarHBondContact O-N 3.38Å |
| 39 | V | 97.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 81.2 Ų | 81.2 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | -178.7 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | I35 A36 V42 I43 | I35-V39 HydrophobicContact CG2-CG2 4.47Å; I35-V39 WeakPolarHBondContact O-CG2 3.29Å; I35-V39 PolarHBondContact O-N 3.48Å; A36-V39 PolarHBondContact O-N 3.28Å; V39-V42 PolarHBondContact O-N 3.38Å; V39-I43 HydrophobicContact CG1-CD1 3.96Å; V39-I43 VanDerWaalsContact O-CG1 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.41Å; V39-I43 PolarHBondContact O-N 2.81Å; V39-I43 VanDerWaalsContact O-N 3.11Å |
| 40 | I | 97.2 | Very high | 94.6 | Very high | 95 Ų | 95 | 83.3 Ų | 83.3 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 177.6 | -65.8 | 166.6 | 0 | 0 | 0 | 110 | A36 I38 V42 I43 F44 | A36-I40 WeakPolarHBondContact O-CD1 3.47Å; A36-I40 VanDerWaalsContact O-CG1 3.26Å; A36-I40 WeakPolarHBondContact O-CG1 3.14Å; A36-I40 PolarHBondContact O-N 2.78Å; I38-I40 PolarHBondContact O-N 2.81Å; I40-V42 VanDerWaalsContact C-N 3.33Å; I40-V42 PolarHBondContact O-N 3.15Å; I40-I43 PolarHBondContact O-N 2.88Å; I40-F44 HydrophobicContact CG2-CD2 3.61Å; I40-F44 HydrophobicContact CG2-CE2 3.73Å; I40-F44 WeakPolarHBondContact O-CD2 3.25Å; I40-F44 PolarHBondContact O-N 2.88Å |
| 41 | G | 96.8 | Very high | 95.2 | Very high | 43 Ų | 43 | 82.5 Ų | 82.5 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G37 I38 G45 | G37-G41 PolarHBondContact O-N 3.22Å; I38-G41 PolarHBondContact O-N 2.85Å; G41-G45 PolarHBondContact O-N 2.91Å |
| 42 | V | 97.7 | Very high | 95.6 | Very high | 80 Ų | 80 | 84.2 Ų | 84.2 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | I38 V39 I40 G45 I46 | I38-V42 HydrophobicContact CG2-CG2 4.25Å; I38-V42 VanDerWaalsContact O-CG2 3.29Å; I38-V42 WeakPolarHBondContact O-CG2 3.29Å; I38-V42 PolarHBondContact O-N 3.38Å; V39-V42 PolarHBondContact O-N 3.38Å; I40-V42 VanDerWaalsContact C-N 3.33Å; I40-V42 PolarHBondContact O-N 3.15Å; V42-G45 PolarHBondContact O-N 2.95Å; V42-I46 HydrophobicContact CG1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CG1 4.36Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.19Å; V42-I46 PolarHBondContact O-N 3.38Å |
| 43 | I | 97.5 | Very high | 96 | Very high | 90 Ų | 90 | 81.1 Ų | 81.1 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.6 | -51 | 178.4 | -67.3 | 165.8 | 0 | 0 | 0 | 110.4 | V39 I40 G45 I46 I47 | V39-I43 HydrophobicContact CG1-CD1 3.96Å; V39-I43 VanDerWaalsContact O-CG1 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.41Å; V39-I43 PolarHBondContact O-N 2.81Å; V39-I43 VanDerWaalsContact O-N 3.11Å; I40-I43 PolarHBondContact O-N 2.88Å; I43-G45 PolarHBondContact O-N 3.24Å; I43-I46 PolarHBondContact O-N 2.98Å; I43-I47 HydrophobicContact CG2-CD1 3.88Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.29Å; I43-I47 PolarHBondContact O-N 3.35Å; I43-I47 VanDerWaalsContact O-N 3.09Å |
| 44 | F | 97.3 | Very high | 96.3 | Very high | 132 Ų | 132 | 80.7 Ų | 80.7 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.5 | -38 | 178.5 | -83.9 | -83.9 | 0 | 0 | 0 | 112.4 | I40 I47 L48 | I40-F44 HydrophobicContact CG2-CD2 3.61Å; I40-F44 HydrophobicContact CG2-CE2 3.73Å; I40-F44 WeakPolarHBondContact O-CD2 3.25Å; I40-F44 PolarHBondContact O-N 2.88Å; F44-I47 PolarHBondContact O-N 3.49Å; F44-L48 WeakPolarHBondContact O-CB 3.44Å; F44-L48 WeakPolarHBondContact O-CG 3.3Å; F44-L48 PolarHBondContact O-N 2.9Å |
| 45 | G | 97.1 | Very high | 96.3 | Very high | 29 Ų | 29 | 85.4 Ų | 85.4 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G41 V42 I43 L48 I49 | G41-G45 PolarHBondContact O-N 2.91Å; V42-G45 PolarHBondContact O-N 2.95Å; I43-G45 PolarHBondContact O-N 3.24Å; G45-L48 PolarHBondContact O-N 3.41Å; G45-I49 VanDerWaalsContact O-CG1 3.24Å; G45-I49 WeakPolarHBondContact O-CG1 3.33Å; G45-I49 PolarHBondContact O-N 3.43Å |
| 46 | I | 97.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 85.7 Ų | 85.7 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 177 | -67.4 | 167.6 | 0 | 0 | 0 | 110.7 | V42 I43 L48 I49 I50 | V42-I46 HydrophobicContact CG1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CG1 4.36Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.19Å; V42-I46 PolarHBondContact O-N 3.38Å; I43-I46 PolarHBondContact O-N 2.98Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.42Å; I46-I49 PolarHBondContact O-N 2.92Å; I46-I50 HydrophobicContact CG2-CD1 3.83Å; I46-I50 HydrophobicContact CG2-CG1 4.48Å; I46-I50 WeakPolarHBondContact O-CG1 3.45Å; I46-I50 PolarHBondContact O-N 2.82Å |
| 47 | I | 97.5 | Very high | 96.1 | Very high | 85 Ų | 85 | 90.3 Ų | 90.3 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 178.3 | -68.4 | 167.6 | 0 | 0 | 0 | 110.5 | I43 F44 I50 L51 | I43-I47 HydrophobicContact CG2-CD1 3.88Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.29Å; I43-I47 PolarHBondContact O-N 3.35Å; I43-I47 VanDerWaalsContact O-N 3.09Å; F44-I47 PolarHBondContact O-N 3.49Å; I47-I50 PolarHBondContact O-N 3.48Å; I47-L51 HydrophobicContact CG2-CD1 3.94Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 WeakPolarHBondContact O-CB 3.41Å; I47-L51 WeakPolarHBondContact O-CG 3.35Å; I47-L51 PolarHBondContact O-N 2.99Å |
| 48 | L | 97.2 | Very high | 95.7 | Very high | 113 Ų | 113 | 95.7 Ų | 95.7 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 177.4 | -80.8 | -178.4 | 0 | 0 | 0 | 112.6 | F44 G45 I46 I50 L51 L52 | F44-L48 WeakPolarHBondContact O-CB 3.44Å; F44-L48 WeakPolarHBondContact O-CG 3.3Å; F44-L48 PolarHBondContact O-N 2.9Å; G45-L48 PolarHBondContact O-N 3.41Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.42Å; L48-I50 VanDerWaalsContact C-N 3.35Å; L48-L51 PolarHBondContact O-N 3.41Å; L48-L52 WeakPolarHBondContact O-CB 3.28Å; L48-L52 PolarHBondContact O-N 3.25Å |
| 49 | I | 96.9 | Very high | 95 | Very high | 123 Ų | 123 | 92.7 Ų | 92.7 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 177.2 | -70.6 | 166.2 | 0 | 0 | 0 | 110.8 | G45 I46 L52 G53 | G45-I49 VanDerWaalsContact O-CG1 3.24Å; G45-I49 WeakPolarHBondContact O-CG1 3.33Å; G45-I49 PolarHBondContact O-N 3.43Å; I46-I49 PolarHBondContact O-N 2.92Å; I49-L52 PolarHBondContact O-N 2.88Å; I49-G53 PolarHBondContact O-N 3.22Å |
| 50 | I | 96.6 | Very high | 94.3 | Very high | 97 Ų | 97 | 98.3 Ų | 98.3 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 177.1 | -66.9 | 167.9 | 0 | 0 | 0 | 110.2 | I46 I47 L48 L52 G53 I54 | I46-I50 HydrophobicContact CG2-CD1 3.83Å; I46-I50 HydrophobicContact CG2-CG1 4.48Å; I46-I50 WeakPolarHBondContact O-CG1 3.45Å; I46-I50 PolarHBondContact O-N 2.82Å; I47-I50 PolarHBondContact O-N 3.48Å; L48-I50 VanDerWaalsContact C-N 3.35Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.36Å; I50-G53 PolarHBondContact O-N 3.09Å; I50-I54 HydrophobicContact CG2-CD1 3.76Å; I50-I54 HydrophobicContact CG2-CG1 4.4Å; I50-I54 WeakPolarHBondContact O-CB 3.44Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.24Å; I50-I54 PolarHBondContact O-N 3.32Å |
| 51 | L | 96.1 | Very high | 93.2 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.5 | -73.7 | 176.4 | 0 | 0 | 0 | 111.7 | I47 L48 I54 F55 | I47-L51 HydrophobicContact CG2-CD1 3.94Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 WeakPolarHBondContact O-CB 3.41Å; I47-L51 WeakPolarHBondContact O-CG 3.35Å; I47-L51 PolarHBondContact O-N 2.99Å; L48-L51 PolarHBondContact O-N 3.41Å; L51-I54 PolarHBondContact O-N 3.11Å; L51-F55 WeakPolarHBondContact O-CB 3.27Å; L51-F55 PolarHBondContact O-N 2.94Å |
| 52 | L | 95.5 | Very high | 91.7 | Very high | 101 Ų | 101 | 104.7 Ų | 104.7 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.6 | -174.6 | 66.3 | 0 | 0 | 0 | 111.4 | L48 I49 I50 F55 I56 | L48-L52 WeakPolarHBondContact O-CB 3.28Å; L48-L52 PolarHBondContact O-N 3.25Å; I49-L52 PolarHBondContact O-N 2.88Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.36Å; L52-F55 PolarHBondContact O-N 3.25Å; L52-I56 HydrophobicContact CD1-CD1 4.25Å; L52-I56 HydrophobicContact CD1-CG1 4.45Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 WeakPolarHBondContact O-CB 3.29Å; L52-I56 VanDerWaalsContact O-CG1 3.23Å; L52-I56 WeakPolarHBondContact O-CG1 3.29Å; L52-I56 PolarHBondContact O-N 3.39Å |
| 53 | G | 94.8 | Very high | 89.8 | Confident | 41 Ų | 41 | 108.2 Ų | 108.2 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I49 I50 Y57 | I49-G53 PolarHBondContact O-N 3.22Å; I50-G53 PolarHBondContact O-N 3.09Å; G53-Y57 VanDerWaalsContact O-CB 3.3Å; G53-Y57 WeakPolarHBondContact O-CB 3.49Å; G53-Y57 PolarHBondContact O-N 2.88Å |
| 54 | I | 94.5 | Very high | 87.7 | Confident | 81 Ų | 81 | 108.2 Ų | 108.2 | 42% | 0.415 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 173.7 | -69.9 | 173 | 0 | 0 | 0 | 110.3 | I50 L51 I56 Y57 Y58 | I50-I54 HydrophobicContact CG2-CD1 3.76Å; I50-I54 HydrophobicContact CG2-CG1 4.4Å; I50-I54 WeakPolarHBondContact O-CB 3.44Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.24Å; I50-I54 PolarHBondContact O-N 3.32Å; L51-I54 PolarHBondContact O-N 3.11Å; I54-I56 PolarHBondContact O-N 3.31Å; I54-Y57 WeakPolarHBondContact O-CB 3.33Å; I54-Y57 PolarHBondContact O-N 3.45Å; I54-Y57 VanDerWaalsContact O-N 3.15Å; I54-Y58 HydrophobicContact CG2-CD2 3.43Å; I54-Y58 VanDerWaalsContact CG2-CD2 3.43Å; I54-Y58 HydrophobicContact CG2-CE2 3.5Å; I54-Y58 VanDerWaalsContact O-CD2 3.29Å; I54-Y58 WeakPolarHBondContact O-CD2 3.29Å; I54-Y58 PolarHBondContact O-N 3.02Å |
| 55 | F | 94.2 | Very high | 85.6 | Confident | 134 Ų | 134 | 112.2 Ų | 112.2 | 59% | 0.588 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.5 | -45.7 | 179.5 | -179.7 | -100.3 | 0 | 0 | 0 | 111.5 | L51 L52 Y58 C59 | L51-F55 WeakPolarHBondContact O-CB 3.27Å; L51-F55 PolarHBondContact O-N 2.94Å; L52-F55 PolarHBondContact O-N 3.25Å; F55-Y58 PolarHBondContact O-N 2.98Å; F55-C59 VanDerWaalsContact CZ-SG 3.57Å; F55-C59 WeakPolarHBondContact O-CB 3.26Å; F55-C59 PolarHBondContact O-N 3.2Å; F55-C59 PolarHBondContact O-SG 3.08Å |
| 56 | I | 92.2 | Very high | 83.4 | Confident | 96 Ų | 96 | 117.2 Ų | 117.2 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 174.9 | -68.5 | 167.7 | 0 | 0 | 0 | 110.4 | L52 I54 C59 R60 | L52-I56 HydrophobicContact CD1-CD1 4.25Å; L52-I56 HydrophobicContact CD1-CG1 4.45Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 WeakPolarHBondContact O-CB 3.29Å; L52-I56 VanDerWaalsContact O-CG1 3.23Å; L52-I56 WeakPolarHBondContact O-CG1 3.29Å; L52-I56 PolarHBondContact O-N 3.39Å; I54-I56 PolarHBondContact O-N 3.31Å; I56-C59 PolarHBondContact O-N 3.43Å; I56-R60 VanDerWaalsContact O-CB 3.25Å; I56-R60 WeakPolarHBondContact O-CB 3.45Å; I56-R60 PolarHBondContact O-N 3.12Å |
| 57 | Y | 91.1 | Very high | 81.2 | Confident | 146 Ų | 146 | 118.9 Ų | 118.9 | 57% | 0.573 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.6 | -48.9 | 177.5 | 177.3 | -99.2 | 0 | 0 | 0 | 111.9 | G53 I54 R60 L61 | G53-Y57 VanDerWaalsContact O-CB 3.3Å; G53-Y57 WeakPolarHBondContact O-CB 3.49Å; G53-Y57 PolarHBondContact O-N 2.88Å; I54-Y57 WeakPolarHBondContact O-CB 3.33Å; I54-Y57 PolarHBondContact O-N 3.45Å; I54-Y57 VanDerWaalsContact O-N 3.15Å; Y57-R60 PolarHBondContact O-N 3Å; Y57-L61 HydrophobicContact CE1-CD2 4.24Å; Y57-L61 VanDerWaalsContact O-CB 3.29Å; Y57-L61 WeakPolarHBondContact O-CB 3.41Å; Y57-L61 PolarHBondContact O-N 3.46Å |
| 58 | Y | 87.9 | Confident | 79.1 | Confident | 154 Ų | 154 | 119.5 Ų | 119.5 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.6 | -41.2 | 176.9 | -86.5 | -76.1 | 0 | 0 | 0 | 112.2 | I54 F55 L61 R62 | I54-Y58 HydrophobicContact CG2-CD2 3.43Å; I54-Y58 VanDerWaalsContact CG2-CD2 3.43Å; I54-Y58 HydrophobicContact CG2-CE2 3.5Å; I54-Y58 VanDerWaalsContact O-CD2 3.29Å; I54-Y58 WeakPolarHBondContact O-CD2 3.29Å; I54-Y58 PolarHBondContact O-N 3.02Å; F55-Y58 PolarHBondContact O-N 2.98Å; Y58-L61 PolarHBondContact O-N 3Å; Y58-R62 WeakPolarHBondContact O-CB 3.34Å; Y58-R62 PolarHBondContact O-N 3.38Å |
| 59 | C | 82.6 | Confident | 77 | Confident | 33 Ų | 33 | 117.3 Ų | 117.3 | 22% | 0.223 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -59.6 | -51 | 174.1 | -75.7 | 0 | 0 | 0 | 0 | 110 | F55 I56 L61 R62 Y63 | F55-C59 VanDerWaalsContact CZ-SG 3.57Å; F55-C59 WeakPolarHBondContact O-CB 3.26Å; F55-C59 PolarHBondContact O-N 3.2Å; F55-C59 PolarHBondContact O-SG 3.08Å; I56-C59 PolarHBondContact O-N 3.43Å; C59-L61 PolarHBondContact O-N 2.9Å; C59-R62 CarbonylContact O-C 3.6Å; C59-R62 PolarHBondContact O-N 2.82Å; C59-Y63 VanDerWaalsContact C-CD2 3.42Å; C59-Y63 HydrophobicContact CB-CD2 4.12Å; C59-Y63 HydrophobicContact CB-CE2 3.83Å; C59-Y63 WeakPolarHBondContact O-CB 3.39Å; C59-Y63 WeakPolarHBondContact O-CD2 3.26Å; C59-Y63 PolarHBondContact O-N 3.46Å |
| 60 | R | 82.2 | Confident | 74.7 | Confident | 199 Ų | 199 | 120.5 Ų | 120.5 | 75% | 0.751 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.8 | -41.8 | 179.7 | -162.7 | 175.9 | 105.1 | 172 | 6 | 112.2 | I56 Y57 R62 Y63 S64 | I56-R60 VanDerWaalsContact O-CB 3.25Å; I56-R60 WeakPolarHBondContact O-CB 3.45Å; I56-R60 PolarHBondContact O-N 3.12Å; Y57-R60 PolarHBondContact O-N 3Å; R60-R62 VanDerWaalsContact C-N 3.34Å; R60-Y63 PolarHBondContact O-N 3.37Å; R60-S64 PolarHBondContact O-N 3.39Å |
| 61 | L | 75.1 | Confident | 72.7 | Confident | 100 Ų | 100 | 120.2 Ų | 120.2 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -38.4 | 177 | -168 | 65.6 | 0 | 0 | 0 | 111.5 | Y57 Y58 C59 S64 | Y57-L61 HydrophobicContact CE1-CD2 4.24Å; Y57-L61 VanDerWaalsContact O-CB 3.29Å; Y57-L61 WeakPolarHBondContact O-CB 3.41Å; Y57-L61 PolarHBondContact O-N 3.46Å; Y58-L61 PolarHBondContact O-N 3Å; C59-L61 PolarHBondContact O-N 2.9Å; L61-S64 WeakPolarHBondContact O-CB 3.48Å |
| 62 | R | 64.3 | Low | 70.6 | Confident | 172 Ų | 172 | 118 Ų | 118 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75.6 | -33.6 | 178.1 | -158.8 | -179.4 | -171 | -168.5 | 2.6 | 112.6 | Y58 C59 R60 S64 R65 Y66 | Y58-R62 WeakPolarHBondContact O-CB 3.34Å; Y58-R62 PolarHBondContact O-N 3.38Å; C59-R62 CarbonylContact O-C 3.6Å; C59-R62 PolarHBondContact O-N 2.82Å; R60-R62 VanDerWaalsContact C-N 3.34Å; R62-S64 PolarHBondContact O-N 3.34Å; R62-R65 PolarHBondContact O-N 3.47Å; R62-Y66 HydrophobicContact CG-CE2 4.26Å |
| 63 | Y | 57.5 | Low | 68.7 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.2 | -28 | 175 | -78 | -60.8 | 0 | 0 | 0 | 112.4 | C59 R60 R65 Y66 Q67 | C59-Y63 VanDerWaalsContact C-CD2 3.42Å; C59-Y63 HydrophobicContact CB-CD2 4.12Å; C59-Y63 HydrophobicContact CB-CE2 3.83Å; C59-Y63 WeakPolarHBondContact O-CB 3.39Å; C59-Y63 WeakPolarHBondContact O-CD2 3.26Å; C59-Y63 PolarHBondContact O-N 3.46Å; R60-Y63 PolarHBondContact O-N 3.37Å; Y63-R65 PolarHBondContact O-N 3.31Å; Y63-R65 VanDerWaalsContact O-N 3.11Å; Y63-Y66 PolarHBondContact O-N 2.71Å; Y63-Q67 PolarHBondContact O-N 3.08Å |
| 64 | S | 53.3 | Low | 66.9 | Low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.3 | -24.9 | 171.9 | -159.7 | 0 | 0 | 0 | 0 | 112.9 | R60 L61 R62 | R60-S64 PolarHBondContact O-N 3.39Å; L61-S64 WeakPolarHBondContact O-CB 3.48Å; R62-S64 PolarHBondContact O-N 3.34Å |
| 65 | R | 53.8 | Low | 64.9 | Low | 215 Ų | 215 | 125.7 Ų | 125.7 | 81% | 0.811 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -88.5 | -18.1 | 173.6 | -65.6 | -150.2 | 170.6 | -173.3 | -2.1 | 114.7 | R62 Y63 | R62-R65 PolarHBondContact O-N 3.47Å; Y63-R65 PolarHBondContact O-N 3.31Å; Y63-R65 VanDerWaalsContact O-N 3.11Å |
| 66 | Y | 50.6 | Low | 62.9 | Low | 134 Ų | 134 | 125.7 Ų | 125.7 | 53% | 0.525 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -90.7 | -23 | 177 | -79.5 | -78.3 | 0 | 0 | 0 | 113.3 | R62 Y63 S68 A69 | R62-Y66 HydrophobicContact CG-CE2 4.26Å; Y63-Y66 PolarHBondContact O-N 2.71Å; Y66-S68 PolarHBondContact O-N 2.8Å; Y66-A69 PolarHBondContact O-N 3.48Å; Y66-A69 VanDerWaalsContact O-N 3.12Å |
| 67 | Q | 51.1 | Low | 60.9 | Low | 128 Ų | 128 | 124.5 Ų | 124.5 | 60% | 0.598 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.3 | -34 | 169.1 | -154.6 | 79.4 | 46.1 | 0 | 0 | 111 | Y63 A69 Y70 D71 | Y63-Q67 PolarHBondContact O-N 3.08Å; Q67-A69 PolarHBondContact O-N 2.9Å; Q67-A69 VanDerWaalsContact O-N 3.14Å; Q67-Y70 PolarHBondContact O-N 3.46Å; Q67-D71 PolarHBondContact O-N 3.4Å |
| 68 | S | 53 | Low | 59 | Low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.4 | -11 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 115.3 | Y66 | Y66-S68 PolarHBondContact O-N 2.8Å |
| 69 | A | 54.3 | Low | 57.2 | Low | 67 Ų | 67 | 123 Ų | 123 | 55% | 0.554 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -97.8 | -16.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y66 Q67 | Y66-A69 PolarHBondContact O-N 3.48Å; Y66-A69 VanDerWaalsContact O-N 3.12Å; Q67-A69 PolarHBondContact O-N 2.9Å; Q67-A69 VanDerWaalsContact O-N 3.14Å |
| 70 | Y | 47.9 | Very low | 55.9 | Low | 191 Ų | 191 | 131.6 Ų | 131.6 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -129.8 | 8.8 | -178.6 | -75.2 | -78.3 | 0 | 0 | 0 | 113.9 | Q67 T72 | Q67-Y70 PolarHBondContact O-N 3.46Å; Y70-T72 PolarHBondContact O-N 2.63Å |
| 71 | D | 53.9 | Low | 54.7 | Low | 91 Ų | 91 | 129.5 Ų | 129.5 | 49% | 0.487 | 66% | 0.659 | S | S | . | * | trans | -66.5 | 75.2 | 144.2 | -80.7 | -22.5 | 0 | 0 | 0 | 106.2 | Q67 D73 | Q67-D71 PolarHBondContact O-N 3.4Å; D71-D73 PolarHBondContact O-N 3.03Å | ||
| 72 | T | 53.7 | Low | 54.1 | Low | 54 Ų | 54 | 129.1 Ų | 129.1 | 33% | 0.331 | 66% | 0.664 | S | S | . | * | trans | -53.1 | 137.4 | 164.6 | 37.9 | 0 | 0 | 0 | 0 | 106.6 | Y70 E74 A75 | Y70-T72 PolarHBondContact O-N 2.63Å; T72-E74 VanDerWaalsContact CB-OE1 3.26Å; T72-E74 WeakPolarHBondContact CB-OE1 3.27Å; T72-E74 PolarHBondContact O-N 3.07Å; T72-E74 VanDerWaalsContact OG1-CG 3.28Å; T72-E74 WeakPolarHBondContact OG1-CG 3.47Å; T72-E74 PolarHBondContact OG1-OE1 3.34Å; T72-A75 PolarHBondContact O-N 3.41Å | ||
| 73 | D | 55 | Low | 53.8 | Low | 154 Ų | 154 | 124.3 Ų | 124.3 | 82% | 0.824 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -13.7 | -178 | -35.3 | -33.7 | 0 | 0 | 0 | 113.4 | D71 | D71-D73 PolarHBondContact O-N 3.03Š|
| 74 | E | 56.2 | Low | 53.9 | Low | 157 Ų | 157 | 124 Ų | 124 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -31.2 | 171.9 | 69.2 | -162.2 | 164.1 | 0 | 0 | 114.6 | T72 | T72-E74 VanDerWaalsContact CB-OE1 3.26Å; T72-E74 WeakPolarHBondContact CB-OE1 3.27Å; T72-E74 PolarHBondContact O-N 3.07Å; T72-E74 VanDerWaalsContact OG1-CG 3.28Å; T72-E74 WeakPolarHBondContact OG1-CG 3.47Å; T72-E74 PolarHBondContact OG1-OE1 3.34Å |
| 75 | A | 54 | Low | 54.3 | Low | 72 Ų | 72 | 125.3 Ų | 125.3 | 60% | 0.595 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -29.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T72 G77 | T72-A75 PolarHBondContact O-N 3.41Å; A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 2.88Å |
| 76 | L | 52.4 | Low | 54.6 | Low | 135 Ų | 135 | 117.7 Ų | 117.7 | 71% | 0.707 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 43.5 | 178.7 | -154.3 | 74.8 | 0 | 0 | 0 | 111.4 | N78 | L76-N78 PolarHBondContact O-N 3.41Š|
| 77 | G | 48.2 | Very low | 55.2 | Low | 70 Ų | 70 | 117.1 Ų | 117.1 | 72% | 0.722 | 65% | 0.649 | S | S | * | * | trans | -64 | 27.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A75 | A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 2.88Å | ||
| 78 | N | 52.5 | Low | 55.9 | Low | 132 Ų | 132 | 116.8 Ų | 116.8 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -164.3 | 92.7 | 171.6 | -149.5 | 12.2 | 0 | 0 | 0 | 112.9 | L76 | L76-N78 PolarHBondContact O-N 3.41Š|
| 79 | N | 49.2 | Very low | 56.5 | Low | 138 Ų | 138 | 118.8 Ų | 118.8 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | trans | 159 | 111.5 | 131.2 | -88.9 | -79.9 | 0 | 0 | 0 | 111.8 | Q81 | N79-Q81 VanDerWaalsContact C-N 3.28Å; N79-Q81 PolarHBondContact O-N 3.34Å | ||
| 80 | F | 55.4 | Low | 57 | Low | 212 Ų | 212 | 122.8 Ų | 122.8 | 93% | 0.93 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 21.1 | -162.8 | -114.6 | -101.8 | 0 | 0 | 0 | 118 | ||
| 81 | Q | 57.3 | Low | 57.7 | Low | 156 Ų | 156 | 121.6 Ų | 121.6 | 73% | 0.729 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -12.7 | -172 | -75 | -171.5 | -25.4 | 0 | 0 | 116.1 | N79 H85 | N79-Q81 VanDerWaalsContact C-N 3.28Å; N79-Q81 PolarHBondContact O-N 3.34Å; Q81-H85 PolarHBondContact O-CD2 2.9Å |
| 82 | S | 63.6 | Low | 58.1 | Low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80 | -29.8 | -172.1 | -160.6 | 0 | 0 | 0 | 0 | 114.1 | H85 A86 | S82-H85 PolarHBondContact O-N 3.41Å; S82-A86 WeakPolarHBondContact O-CB 3.43Å; S82-A86 PolarHBondContact O-N 3.21Å |
| 83 | A | 56.3 | Low | 58.5 | Low | 71 Ų | 71 | 128 Ų | 128 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -67.3 | -42.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | A86 L87 | A83-A86 PolarHBondContact O-N 2.94Å; A83-L87 WeakPolarHBondContact O-CG 3.38Å; A83-L87 PolarHBondContact O-N 2.99Å |
| 84 | E | 59.8 | Low | 58.5 | Low | 147 Ų | 147 | 125.7 Ų | 125.7 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.4 | -39.2 | 176 | -70 | -156.6 | 145.5 | 0 | 0 | 111.7 | L87 Q88 | E84-L87 PolarHBondContact O-N 3.48Å; E84-Q88 WeakPolarHBondContact O-CB 3.49Å; E84-Q88 WeakPolarHBondContact O-CG 3.41Å; E84-Q88 PolarHBondContact O-N 3.4Å |
| 85 | H | 61.2 | Low | 58.9 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.1 | -40.4 | 176.6 | -85.1 | -50.8 | 0 | 0 | 0 | 112.9 | Q81 S82 L87 Q88 Q89 | Q81-H85 PolarHBondContact O-CD2 2.9Å; S82-H85 PolarHBondContact O-N 3.41Å; H85-L87 VanDerWaalsContact C-N 3.33Å; H85-L87 PolarHBondContact O-N 3.48Å; H85-Q88 PolarHBondContact O-N 2.89Å; H85-Q89 WeakPolarHBondContact O-CB 3.42Å; H85-Q89 PolarHBondContact O-N 2.86Å |
| 86 | A | 61.6 | Low | 59.1 | Low | 55 Ų | 55 | 126.9 Ų | 126.9 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.3 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | S82 A83 Q89 K90 | S82-A86 WeakPolarHBondContact O-CB 3.43Å; S82-A86 PolarHBondContact O-N 3.21Å; A83-A86 PolarHBondContact O-N 2.94Å; A86-Q89 PolarHBondContact O-N 3.43Å; A86-K90 WeakPolarHBondContact O-CB 3.32Å; A86-K90 PolarHBondContact O-N 3.06Å; A86-K90 VanDerWaalsContact O-N 3.07Å |
| 87 | L | 62.6 | Low | 59.1 | Low | 121 Ų | 121 | 123.8 Ų | 123.8 | 63% | 0.634 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.2 | -45.9 | 174 | -76.4 | 172.5 | 0 | 0 | 0 | 111.8 | A83 E84 H85 Q89 K90 Y91 | A83-L87 WeakPolarHBondContact O-CG 3.38Å; A83-L87 PolarHBondContact O-N 2.99Å; E84-L87 PolarHBondContact O-N 3.48Å; H85-L87 VanDerWaalsContact C-N 3.33Å; H85-L87 PolarHBondContact O-N 3.48Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.44Å; L87-K90 PolarHBondContact O-N 3.01Å; L87-Y91 WeakPolarHBondContact O-CB 3.24Å; L87-Y91 PolarHBondContact O-N 3.36Å |
| 88 | Q | 65.6 | Low | 59.1 | Low | 121 Ų | 121 | 127.5 Ų | 127.5 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -59.4 | -41.2 | 175.8 | -77.7 | -176.9 | -13.5 | 0 | 0 | 112.1 | E84 H85 K90 Y91 H92 | E84-Q88 WeakPolarHBondContact O-CB 3.49Å; E84-Q88 WeakPolarHBondContact O-CG 3.41Å; E84-Q88 PolarHBondContact O-N 3.4Å; H85-Q88 PolarHBondContact O-N 2.89Å; Q88-K90 VanDerWaalsContact C-N 3.32Å; Q88-K90 PolarHBondContact O-N 3.28Å; Q88-Y91 PolarHBondContact O-N 3.49Å; Q88-H92 VanDerWaalsContact O-CB 3.28Å; Q88-H92 WeakPolarHBondContact O-CB 3.47Å; Q88-H92 PolarHBondContact O-N 3.06Å |
| 89 | Q | 65.8 | Low | 59.4 | Low | 141 Ų | 141 | 126.1 Ų | 126.1 | 66% | 0.659 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.9 | -34.6 | 179.4 | -141.5 | 176.7 | 19.5 | 0 | 0 | 112.1 | H85 A86 L87 N93 | H85-Q89 WeakPolarHBondContact O-CB 3.42Å; H85-Q89 PolarHBondContact O-N 2.86Å; A86-Q89 PolarHBondContact O-N 3.43Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.44Å; Q89-N93 PolarHBondContact O-N 2.9Å; Q89-N93 PolarHBondContact O-ND2 2.87Å |
| 90 | K | 64.2 | Low | 59.6 | Low | 151 Ų | 151 | 126.2 Ų | 126.2 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72 | -36.8 | 174 | -158.5 | 179.7 | -174.3 | -170.3 | 0 | 112 | A86 L87 Q88 H94 | A86-K90 WeakPolarHBondContact O-CB 3.32Å; A86-K90 PolarHBondContact O-N 3.06Å; A86-K90 VanDerWaalsContact O-N 3.07Å; L87-K90 PolarHBondContact O-N 3.01Å; Q88-K90 VanDerWaalsContact C-N 3.32Å; Q88-K90 PolarHBondContact O-N 3.28Å; K90-H94 PolarHBondContact O-N 2.92Å |
| 91 | Y | 62.4 | Low | 59.3 | Low | 165 Ų | 165 | 123.9 Ų | 123.9 | 65% | 0.647 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71 | -40.2 | 177.6 | -140.6 | -95.8 | 0 | 0 | 0 | 112 | L87 Q88 N93 V97 | L87-Y91 WeakPolarHBondContact O-CB 3.24Å; L87-Y91 PolarHBondContact O-N 3.36Å; Q88-Y91 PolarHBondContact O-N 3.49Å; Y91-N93 PolarHBondContact O-N 2.93Å; Y91-V97 HydrophobicContact CD1-CG1 4.32Å; Y91-V97 HydrophobicContact CD1-CG2 4.18Å; Y91-V97 HydrophobicContact CE1-CB 4.47Å; Y91-V97 HydrophobicContact CE1-CG1 3.69Å; Y91-V97 HydrophobicContact CE1-CG2 4Å |
| 92 | H | 63.2 | Low | 58.6 | Low | 163 Ų | 163 | 127.1 Ų | 127.1 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69 | -31.3 | -179.7 | -170.7 | 74.6 | 0 | 0 | 0 | 113.3 | Q88 | Q88-H92 VanDerWaalsContact O-CB 3.28Å; Q88-H92 WeakPolarHBondContact O-CB 3.47Å; Q88-H92 PolarHBondContact O-N 3.06Å |
| 93 | N | 62.6 | Low | 58.1 | Low | 118 Ų | 118 | 133.8 Ų | 133.8 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 4.3 | -178.4 | -69.3 | -62.5 | 0 | 0 | 0 | 114.1 | Q89 Y91 P95 | Q89-N93 PolarHBondContact O-N 2.9Å; Q89-N93 PolarHBondContact O-ND2 2.87Å; Y91-N93 PolarHBondContact O-N 2.93Å; N93-P95 WeakPolarHBondContact O-CD 3.26Å |
| 94 | H | 54.9 | Low | 58.2 | Low | 105 Ų | 105 | 137 Ų | 137 | 49% | 0.486 | 69% | 0.686 | S | S | . | * | trans | -84.6 | 115 | 176.8 | -136.8 | -85.4 | 0 | 0 | 0 | 109.5 | K90 D96 V97 | K90-H94 PolarHBondContact O-N 2.92Å; H94-D96 PolarHBondContact O-N 3.07Å; H94-V97 HydrophobicContact CB-CG2 4.27Å; H94-V97 PolarHBondContact O-N 3.08Å | ||
| 95 | P | 63.4 | Low | 58.1 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -6.2 | -173.7 | 25.9 | -34.5 | 0 | 0 | 0 | 114.8 | N93 | N93-P95 WeakPolarHBondContact O-CD 3.26Š|
| 96 | D | 58.1 | Low | 57.9 | Low | 130 Ų | 130 | 137.4 Ų | 137.4 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 5.6 | -175.3 | -88.9 | -20.3 | 0 | 0 | 0 | 114.9 | H94 K98 | H94-D96 PolarHBondContact O-N 3.07Å; D96-K98 VanDerWaalsContact C-N 3.31Å; D96-K98 PolarHBondContact O-N 2.74Å |
| 97 | V | 52.9 | Low | 57.7 | Low | 70 Ų | 70 | 142.2 Ų | 142.2 | 42% | 0.424 | 71% | 0.707 | S | S | . | * | trans | -80.4 | 86.7 | 172.3 | -173 | 0 | 0 | 0 | 0 | 108.9 | Y91 H94 A99 | Y91-V97 HydrophobicContact CD1-CG1 4.32Å; Y91-V97 HydrophobicContact CD1-CG2 4.18Å; Y91-V97 HydrophobicContact CE1-CB 4.47Å; Y91-V97 HydrophobicContact CE1-CG1 3.69Å; Y91-V97 HydrophobicContact CE1-CG2 4Å; H94-V97 HydrophobicContact CB-CG2 4.27Å; H94-V97 PolarHBondContact O-N 3.08Å; V97-A99 PolarHBondContact O-N 2.97Å | ||
| 98 | K | 48.7 | Very low | 57.4 | Low | 148 Ų | 148 | 143.6 Ų | 143.6 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | trans | -59.7 | 122.7 | 169.3 | -56.2 | -168.6 | 178.7 | -163.6 | 0 | 109.1 | D96 E100 | D96-K98 VanDerWaalsContact C-N 3.31Å; D96-K98 PolarHBondContact O-N 2.74Å; K98-E100 HydrophobicContact CB-CG 3.87Å; K98-E100 HydrophobicContact CD-CG 4.5Å; K98-E100 WeakPolarHBondContact CD-OE1 3.46Å; K98-E100 IonicContact NZ-OE1 3.63Å; K98-E100 PolarHBondContact O-N 2.73Å | ||
| 99 | A | 58.4 | Low | 56.9 | Low | 102 Ų | 102 | 145.1 Ų | 145.1 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -70.5 | 18.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V97 L101 | V97-A99 PolarHBondContact O-N 2.97Å; A99-L101 PolarHBondContact O-N 3.25Å |
| 100 | E | 54.3 | Low | 56.2 | Low | 140 Ų | 140 | 145.4 Ų | 145.4 | 65% | 0.654 | 73% | 0.726 | S | S | * | * | trans | -93 | 15.4 | -174.1 | 63.7 | -167.1 | 174.8 | 0 | 0 | 114.3 | K98 | K98-E100 HydrophobicContact CB-CG 3.87Å; K98-E100 HydrophobicContact CD-CG 4.5Å; K98-E100 WeakPolarHBondContact CD-OE1 3.46Å; K98-E100 IonicContact NZ-OE1 3.63Å; K98-E100 PolarHBondContact O-N 2.73Å | ||
| 101 | L | 49.2 | Very low | 55.6 | Low | 163 Ų | 163 | 144.9 Ų | 144.9 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -124.1 | 40.4 | 174.4 | -142.1 | 79.2 | 0 | 0 | 0 | 114.5 | A99 | A99-L101 PolarHBondContact O-N 3.25Š|
| 102 | Y | 43 | Very low | 55 | Low | 224 Ų | 224 | 143.3 Ų | 143.3 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | trans | -134.5 | 94.8 | 155.2 | -118.2 | -92.4 | 0 | 0 | 0 | 108.4 | ||||
| 103 | I | 51.9 | Low | 54.3 | Low | 232 Ų | 232 | 141.5 Ų | 141.5 | 100% | 1.19 | 74% | 0.737 | S | S | * | * | trans | -98.5 | 0 | 155.6 | -65.8 | 168 | 0 | 0 | 0 | 105.8 |
Retrieved 103 of 103 residues in 171.6 ms
(Link to these results)