| 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 | 68.1 | Low | 80.2 | Confident | 190 Ų | 190 | 125.8 Ų | 125.8 | 94% | 0.936 | 62% | 0.62 | S | S | * | * | 0 | -42.5 | 0 | -65.3 | -52.4 | -179.7 | 0 | 0 | 113.1 | K3 F4 F5 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.36Å; M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.37Å; M1-F5 WeakPolarHBondContact O-CD2 3.19Å | |||
| 2 | L | 74.1 | Confident | 80.5 | Confident | 150 Ų | 150 | 123.3 Ų | 123.3 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.6 | -42.5 | -178.7 | -171.3 | 64.5 | 0 | 0 | 0 | 114.9 | F4 F5 L6 | L2-F4 VanDerWaalsContact C-N 3.25Å; L2-F4 PolarHBondContact O-N 3.14Å; L2-F5 PolarHBondContact O-N 3.33Å; L2-L6 PolarHBondContact O-N 2.81Å; L2-L6 VanDerWaalsContact O-N 3.14Å |
| 3 | K | 78.3 | Confident | 80.7 | Confident | 175 Ų | 175 | 118.2 Ų | 118.2 | 76% | 0.761 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.4 | -32.5 | 177.2 | 66.8 | 175.1 | -175.9 | 170.3 | 0 | 114.1 | M1 L6 V7 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.36Å; K3-L6 PolarHBondContact O-N 2.96Å; K3-V7 WeakPolarHBondContact O-CG2 3.34Å; K3-V7 PolarHBondContact O-N 3.3Å |
| 4 | F | 77.3 | Confident | 80.8 | Confident | 137 Ų | 137 | 115.5 Ų | 115.5 | 60% | 0.601 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71 | -37.6 | -179.7 | -166.1 | -96.6 | 0 | 0 | 0 | 111.1 | M1 L2 L8 | M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.37Å; L2-F4 VanDerWaalsContact C-N 3.25Å; L2-F4 PolarHBondContact O-N 3.14Å; F4-L8 HydrophobicContact CD1-CD1 3.83Å; F4-L8 HydrophobicContact CE1-CD1 3.68Å; F4-L8 HydrophobicContact CE1-CG 4.4Å; F4-L8 PolarHBondContact O-N 3.46Å |
| 5 | F | 79.6 | Confident | 80.9 | Confident | 139 Ų | 139 | 120.5 Ų | 120.5 | 61% | 0.61 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68 | -36.5 | 173.3 | -69.9 | -77.2 | 0 | 0 | 0 | 112.6 | M1 L2 L8 F9 | M1-F5 WeakPolarHBondContact O-CD2 3.19Å; L2-F5 PolarHBondContact O-N 3.33Å; F5-L8 PolarHBondContact O-N 3.47Å; F5-F9 WeakPolarHBondContact O-CB 3.19Å; F5-F9 PolarHBondContact O-N 3.49Å |
| 6 | L | 80.7 | Confident | 80.5 | Confident | 107 Ų | 107 | 118.8 Ų | 118.8 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -44.8 | 177.8 | -175 | 67.5 | 0 | 0 | 0 | 111.6 | L2 K3 F9 I10 | L2-L6 PolarHBondContact O-N 2.81Å; L2-L6 VanDerWaalsContact O-N 3.14Å; K3-L6 PolarHBondContact O-N 2.96Å; L6-F9 PolarHBondContact O-N 3.29Å; L6-I10 HydrophobicContact CG-CD1 4.18Å; L6-I10 WeakPolarHBondContact O-CG1 3.25Å; L6-I10 PolarHBondContact O-N 3.44Å |
| 7 | V | 84.5 | Confident | 79.6 | Confident | 88 Ų | 88 | 117.5 Ų | 117.5 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.4 | -46.6 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | K3 F9 I10 V11 | K3-V7 WeakPolarHBondContact O-CG2 3.34Å; K3-V7 PolarHBondContact O-N 3.3Å; V7-F9 VanDerWaalsContact C-N 3.31Å; V7-F9 PolarHBondContact O-N 3.36Å; V7-I10 PolarHBondContact O-N 2.86Å; V7-V11 HydrophobicContact CG1-CG2 4.41Å; V7-V11 VanDerWaalsContact O-CG2 3.32Å; V7-V11 WeakPolarHBondContact O-CG2 3.06Å; V7-V11 PolarHBondContact O-N 2.62Å |
| 8 | L | 82.9 | Confident | 78.6 | Confident | 86 Ų | 86 | 116.9 Ų | 116.9 | 45% | 0.45 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.7 | -42 | 175.7 | -78.7 | 169.9 | 0 | 0 | 0 | 112.1 | F4 F5 V11 V12 | F4-L8 HydrophobicContact CD1-CD1 3.83Å; F4-L8 HydrophobicContact CE1-CD1 3.68Å; F4-L8 HydrophobicContact CE1-CG 4.4Å; F4-L8 PolarHBondContact O-N 3.46Å; F5-L8 PolarHBondContact O-N 3.47Å; L8-V11 PolarHBondContact O-N 2.78Å; L8-V12 WeakPolarHBondContact O-CB 3.3Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.32Å; L8-V12 PolarHBondContact O-N 3.28Å |
| 9 | F | 81.8 | Confident | 77.8 | Confident | 136 Ų | 136 | 114.7 Ų | 114.7 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.3 | -44.6 | 178.4 | -176.3 | -99.4 | 0 | 0 | 0 | 112 | F5 L6 V7 V12 V13 | F5-F9 WeakPolarHBondContact O-CB 3.19Å; F5-F9 PolarHBondContact O-N 3.49Å; L6-F9 PolarHBondContact O-N 3.29Å; V7-F9 VanDerWaalsContact C-N 3.31Å; V7-F9 PolarHBondContact O-N 3.36Å; F9-V12 PolarHBondContact O-N 3.32Å; F9-V13 HydrophobicContact CD1-CG2 4.14Å; F9-V13 HydrophobicContact CD2-CG2 4.49Å; F9-V13 HydrophobicContact CE1-CG2 3.78Å; F9-V13 HydrophobicContact CE2-CG2 4.16Å; F9-V13 HydrophobicContact CG-CG2 4.49Å; F9-V13 HydrophobicContact CZ-CG2 3.79Å; F9-V13 WeakPolarHBondContact O-CB 3.48Å; F9-V13 VanDerWaalsContact O-CG2 3.27Å; F9-V13 WeakPolarHBondContact O-CG2 2.95Å; F9-V13 PolarHBondContact O-N 3.01Å |
| 10 | I | 86.6 | Confident | 76.8 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 46% | 0.462 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.4 | -44.9 | 177.1 | -65.6 | 167 | 0 | 0 | 0 | 110.5 | L6 V7 V12 V13 V14 | L6-I10 HydrophobicContact CG-CD1 4.18Å; L6-I10 WeakPolarHBondContact O-CG1 3.25Å; L6-I10 PolarHBondContact O-N 3.44Å; V7-I10 PolarHBondContact O-N 2.86Å; I10-V12 VanDerWaalsContact C-N 3.35Å; I10-V12 PolarHBondContact O-N 3.02Å; I10-V13 PolarHBondContact O-N 3.32Å; I10-V14 HydrophobicContact CG2-CG2 4.11Å; I10-V14 WeakPolarHBondContact O-CB 2.94Å; I10-V14 VanDerWaalsContact O-CG2 3.23Å; I10-V14 WeakPolarHBondContact O-CG2 3.5Å; I10-V14 PolarHBondContact O-N 2.85Å |
| 11 | V | 87.9 | Confident | 75.7 | Confident | 86 Ų | 86 | 112.7 Ų | 112.7 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.6 | -44 | 177.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | V7 L8 W15 | V7-V11 HydrophobicContact CG1-CG2 4.41Å; V7-V11 VanDerWaalsContact O-CG2 3.32Å; V7-V11 WeakPolarHBondContact O-CG2 3.06Å; V7-V11 PolarHBondContact O-N 2.62Å; L8-V11 PolarHBondContact O-N 2.78Å; V11-W15 WeakPolarHBondContact O-CB 3.2Å; V11-W15 PolarHBondContact O-N 3.04Å |
| 12 | V | 84.3 | Confident | 74.9 | Confident | 95 Ų | 95 | 107.4 Ų | 107.4 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.9 | -44.2 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L8 F9 I10 W15 D16 | L8-V12 WeakPolarHBondContact O-CB 3.3Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.32Å; L8-V12 PolarHBondContact O-N 3.28Å; F9-V12 PolarHBondContact O-N 3.32Å; I10-V12 VanDerWaalsContact C-N 3.35Å; I10-V12 PolarHBondContact O-N 3.02Å; V12-W15 PolarHBondContact O-N 3.01Å; V12-D16 WeakPolarHBondContact O-CB 3.14Å; V12-D16 PolarHBondContact O-N 3.14Å |
| 13 | V | 82.4 | Confident | 73.9 | Confident | 57 Ų | 57 | 105.7 Ų | 105.7 | 35% | 0.345 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.3 | -40.6 | 178.8 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | F9 I10 N17 | F9-V13 HydrophobicContact CD1-CG2 4.14Å; F9-V13 HydrophobicContact CD2-CG2 4.49Å; F9-V13 HydrophobicContact CE1-CG2 3.78Å; F9-V13 HydrophobicContact CE2-CG2 4.16Å; F9-V13 HydrophobicContact CG-CG2 4.49Å; F9-V13 HydrophobicContact CZ-CG2 3.79Å; F9-V13 WeakPolarHBondContact O-CB 3.48Å; F9-V13 VanDerWaalsContact O-CG2 3.27Å; F9-V13 WeakPolarHBondContact O-CG2 2.95Å; F9-V13 PolarHBondContact O-N 3.01Å; I10-V13 PolarHBondContact O-N 3.32Å; V13-N17 WeakPolarHBondContact O-CB 3.27Å; V13-N17 PolarHBondContact O-N 3.46Å; V13-N17 PolarHBondContact O-ND2 2.77Å |
| 14 | V | 82.2 | Confident | 72.6 | Confident | 81 Ų | 81 | 103.6 Ų | 103.6 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -44.7 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | I10 D16 N17 V18 | I10-V14 HydrophobicContact CG2-CG2 4.11Å; I10-V14 WeakPolarHBondContact O-CB 2.94Å; I10-V14 VanDerWaalsContact O-CG2 3.23Å; I10-V14 WeakPolarHBondContact O-CG2 3.5Å; I10-V14 PolarHBondContact O-N 2.85Å; V14-D16 VanDerWaalsContact C-N 3.35Å; V14-D16 PolarHBondContact O-N 3.43Å; V14-N17 PolarHBondContact O-N 3.18Å; V14-V18 HydrophobicContact CG1-CG2 4.28Å; V14-V18 WeakPolarHBondContact O-CB 3.48Å; V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.3Å; V14-V18 PolarHBondContact O-N 3.4Å |
| 15 | W | 82.2 | Confident | 71.5 | Confident | 191 Ų | 191 | 102.5 Ų | 102.5 | 72% | 0.723 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.4 | -45.7 | 176.5 | -177.1 | -91.3 | 0 | 0 | 0 | 111.8 | V11 V12 V18 S19 | V11-W15 WeakPolarHBondContact O-CB 3.2Å; V11-W15 PolarHBondContact O-N 3.04Å; V12-W15 PolarHBondContact O-N 3.01Å; W15-V18 PolarHBondContact O-N 3.11Å; W15-S19 WeakPolarHBondContact O-CB 3.45Å; W15-S19 PolarHBondContact O-N 3.33Å; W15-S19 PolarHBondContact O-OG 2.98Å |
| 16 | D | 74.9 | Confident | 70 | Confident | 93 Ų | 93 | 104.6 Ų | 104.6 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.6 | -55.8 | 174.5 | -162.5 | 78.8 | 0 | 0 | 0 | 109.4 | V12 V14 V18 S19 T20 | V12-D16 WeakPolarHBondContact O-CB 3.14Å; V12-D16 PolarHBondContact O-N 3.14Å; V14-D16 VanDerWaalsContact C-N 3.35Å; V14-D16 PolarHBondContact O-N 3.43Å; D16-V18 VanDerWaalsContact C-N 3.3Å; D16-V18 PolarHBondContact O-N 3.39Å; D16-V18 VanDerWaalsContact O-N 3.14Å; D16-S19 PolarHBondContact O-N 3.05Å; D16-S19 PolarHBondContact O-OG 3.14Å; D16-T20 VanDerWaalsContact O-CB 3.31Å; D16-T20 WeakPolarHBondContact O-CB 3.31Å; D16-T20 PolarHBondContact O-N 2.95Å; D16-T20 PolarHBondContact O-OG1 3.29Å; D16-T20 PolarHBondContact OD2-OG1 3.3Å |
| 17 | N | 65 | Low | 68.7 | Low | 97 Ų | 97 | 107.3 Ų | 107.3 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -55.9 | -37.9 | 179.3 | -80.4 | -72.4 | 0 | 0 | 0 | 114.7 | V13 V14 T21 | V13-N17 WeakPolarHBondContact O-CB 3.27Å; V13-N17 PolarHBondContact O-N 3.46Å; V13-N17 PolarHBondContact O-ND2 2.77Å; V14-N17 PolarHBondContact O-N 3.18Å; N17-T21 PolarHBondContact O-N 3.14Å; N17-T21 PolarHBondContact O-OG1 3.23Å |
| 18 | V | 62.2 | Low | 67.3 | Low | 107 Ų | 107 | 105.7 Ų | 105.7 | 65% | 0.648 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.6 | -41.7 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | V14 W15 D16 | V14-V18 HydrophobicContact CG1-CG2 4.28Å; V14-V18 WeakPolarHBondContact O-CB 3.48Å; V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.3Å; V14-V18 PolarHBondContact O-N 3.4Å; W15-V18 PolarHBondContact O-N 3.11Å; D16-V18 VanDerWaalsContact C-N 3.3Å; D16-V18 PolarHBondContact O-N 3.39Å; D16-V18 VanDerWaalsContact O-N 3.14Å |
| 19 | S | 63.8 | Low | 65.9 | Low | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.2 | -30.7 | 179.4 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | W15 D16 | W15-S19 WeakPolarHBondContact O-CB 3.45Å; W15-S19 PolarHBondContact O-N 3.33Å; W15-S19 PolarHBondContact O-OG 2.98Å; D16-S19 PolarHBondContact O-N 3.05Å; D16-S19 PolarHBondContact O-OG 3.14Å |
| 20 | T | 58.1 | Low | 64.5 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 46% | 0.46 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.7 | 11.4 | -175.1 | -32.9 | 0 | 0 | 0 | 0 | 112.4 | D16 P22 | D16-T20 VanDerWaalsContact O-CB 3.31Å; D16-T20 WeakPolarHBondContact O-CB 3.31Å; D16-T20 PolarHBondContact O-N 2.95Å; D16-T20 PolarHBondContact O-OG1 3.29Å; D16-T20 PolarHBondContact OD2-OG1 3.3Å; T20-P22 WeakPolarHBondContact O-CD 3.35Å; T20-P22 WeakPolarHBondContact O-CG 3.34Å |
| 21 | T | 53.8 | Low | 63.1 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 69% | 0.693 | 58% | 0.582 | S | S | * | * | trans | -87.4 | 86.3 | 163.9 | -53.3 | 0 | 0 | 0 | 0 | 108.3 | N17 N23 | N17-T21 PolarHBondContact O-N 3.14Å; N17-T21 PolarHBondContact O-OG1 3.23Å; T21-N23 PolarHBondContact O-N 2.67Å | ||
| 22 | P | 49.9 | Very low | 61.5 | Low | 78 Ų | 78 | 116.3 Ų | 116.3 | 51% | 0.506 | 59% | 0.593 | S | S | . | * | trans | -98.5 | 103.5 | -164.6 | 16.8 | 7 | 0 | 0 | 0 | 107 | T20 I24 | T20-P22 WeakPolarHBondContact O-CD 3.35Å; T20-P22 WeakPolarHBondContact O-CG 3.34Å; P22-I24 VanDerWaalsContact O-CG1 3.3Å; P22-I24 WeakPolarHBondContact O-CG1 3.44Å; P22-I24 PolarHBondContact O-N 2.86Å | ||
| 23 | N | 52.6 | Low | 60.2 | Low | 114 Ų | 114 | 118.8 Ų | 118.8 | 61% | 0.61 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 52.2 | 10.3 | 140 | -139.8 | 0.3 | 0 | 0 | 0 | 120.1 | T21 N25 R26 | T21-N23 PolarHBondContact O-N 2.67Å; N23-N25 VanDerWaalsContact C-N 3.25Å; N23-N25 PolarHBondContact O-N 3.48Å; N23-R26 PolarHBondContact O-N 3.4Å; N23-R26 WeakPolarHBondContact OD1-CB 3.32Å; N23-R26 WeakPolarHBondContact OD1-CD 3.35Å; N23-R26 VanDerWaalsContact OD1-CG 3.25Å; N23-R26 WeakPolarHBondContact OD1-CG 3.23Å |
| 24 | I | 52 | Low | 59.1 | Low | 132 Ų | 132 | 123.5 Ų | 123.5 | 68% | 0.677 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.3 | -25.4 | -177.1 | -72.7 | 154.9 | 0 | 0 | 0 | 110.7 | P22 | P22-I24 VanDerWaalsContact O-CG1 3.3Å; P22-I24 WeakPolarHBondContact O-CG1 3.44Å; P22-I24 PolarHBondContact O-N 2.86Å |
| 25 | N | 53.9 | Low | 57.9 | Low | 114 Ų | 114 | 124.6 Ų | 124.6 | 61% | 0.61 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -79.3 | -18.3 | 177.4 | -75.1 | -20.5 | 0 | 0 | 0 | 113.4 | N23 E27 A28 I29 | N23-N25 VanDerWaalsContact C-N 3.25Å; N23-N25 PolarHBondContact O-N 3.48Å; N25-E27 PolarHBondContact O-N 3.21Å; N25-A28 PolarHBondContact O-N 2.8Å; N25-I29 HydrophobicContact CB-CD1 3.83Å; N25-I29 HydrophobicContact CB-CG1 4.48Å; N25-I29 WeakPolarHBondContact O-CB 3.42Å; N25-I29 WeakPolarHBondContact O-CD1 3.46Å; N25-I29 WeakPolarHBondContact O-CG1 3.37Å; N25-I29 PolarHBondContact O-N 2.9Å |
| 26 | R | 48.7 | Very low | 56.5 | Low | 182 Ų | 182 | 122.6 Ų | 122.6 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.2 | -25.3 | -179.1 | -71.3 | -163.4 | -173.7 | -175.6 | -0.5 | 113.4 | N23 R30 | N23-R26 PolarHBondContact O-N 3.4Å; N23-R26 WeakPolarHBondContact OD1-CB 3.32Å; N23-R26 WeakPolarHBondContact OD1-CD 3.35Å; N23-R26 VanDerWaalsContact OD1-CG 3.25Å; N23-R26 WeakPolarHBondContact OD1-CG 3.23Å; R26-R30 PolarHBondContact O-N 3.03Å |
| 27 | E | 53.5 | Low | 55.4 | Low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82.9 | -34.4 | 170.7 | -97.7 | 171.1 | 152.6 | 0 | 0 | 112.7 | N25 I29 | N25-E27 PolarHBondContact O-N 3.21Å; E27-I29 VanDerWaalsContact C-N 3.31Å; E27-I29 PolarHBondContact O-N 2.85Å |
| 28 | A | 54.5 | Low | 55.1 | Low | 54 Ų | 54 | 123.6 Ų | 123.6 | 45% | 0.446 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.9 | -27.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N25 | N25-A28 PolarHBondContact O-N 2.8Å |
| 29 | I | 52.9 | Low | 55.2 | Low | 73 Ų | 73 | 124.8 Ų | 124.8 | 37% | 0.374 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -86.3 | -29.1 | -178.1 | -69.6 | 166.5 | 0 | 0 | 0 | 112.8 | N25 E27 N31 R32 M33 | N25-I29 HydrophobicContact CB-CD1 3.83Å; N25-I29 HydrophobicContact CB-CG1 4.48Å; N25-I29 WeakPolarHBondContact O-CB 3.42Å; N25-I29 WeakPolarHBondContact O-CD1 3.46Å; N25-I29 WeakPolarHBondContact O-CG1 3.37Å; N25-I29 PolarHBondContact O-N 2.9Å; E27-I29 VanDerWaalsContact C-N 3.31Å; E27-I29 PolarHBondContact O-N 2.85Å; I29-N31 PolarHBondContact O-N 3.45Å; I29-R32 CarbonylContact O-C 3.49Å; I29-R32 PolarHBondContact O-N 3.03Å; I29-M33 HydrophobicContact CG2-CE 3.48Å; I29-M33 VanDerWaalsContact CG2-CE 3.48Å; I29-M33 HydrophobicContact CG2-CG 3.89Å; I29-M33 HydrophobicContact CG2-SD 4.18Å; I29-M33 WeakPolarHBondContact O-CG 3.5Å; I29-M33 PolarHBondContact O-N 3.35Å |
| 30 | R | 53.3 | Low | 54.9 | Low | 195 Ų | 195 | 126 Ų | 126 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64 | -28.3 | 170.2 | -75.9 | -175.2 | -163.7 | 167.5 | 5.8 | 112.4 | R26 R32 | R26-R30 PolarHBondContact O-N 3.03Å; R30-R32 PolarHBondContact O-N 3.31Å |
| 31 | N | 57.9 | Low | 55 | Low | 152 Ų | 152 | 129.7 Ų | 129.7 | 81% | 0.813 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -1.9 | 173.2 | -131.1 | 27.3 | 0 | 0 | 0 | 113.6 | I29 | I29-N31 PolarHBondContact O-N 3.45Š|
| 32 | R | 53.6 | Low | 55.3 | Low | 201 Ų | 201 | 131.9 Ų | 131.9 | 76% | 0.758 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | -14.7 | 174.7 | -68.3 | -169.8 | -179.6 | -148.4 | 1.4 | 114.3 | I29 R30 N34 V35 | I29-R32 CarbonylContact O-C 3.49Å; I29-R32 PolarHBondContact O-N 3.03Å; R30-R32 PolarHBondContact O-N 3.31Å; R32-N34 PolarHBondContact O-N 3.01Å; R32-N34 VanDerWaalsContact O-N 3.14Å; R32-V35 PolarHBondContact O-N 3.43Å |
| 33 | M | 57.3 | Low | 56.2 | Low | 148 Ų | 148 | 134.4 Ų | 134.4 | 73% | 0.729 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -1.6 | 177.8 | -87.6 | 179.4 | -176.2 | 0 | 0 | 114.5 | I29 V35 | I29-M33 HydrophobicContact CG2-CE 3.48Å; I29-M33 VanDerWaalsContact CG2-CE 3.48Å; I29-M33 HydrophobicContact CG2-CG 3.89Å; I29-M33 HydrophobicContact CG2-SD 4.18Å; I29-M33 WeakPolarHBondContact O-CG 3.5Å; I29-M33 PolarHBondContact O-N 3.35Å; M33-V35 VanDerWaalsContact C-N 3.34Å |
| 34 | N | 58.4 | Low | 56.4 | Low | 156 Ų | 156 | 136.7 Ų | 136.7 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 9.3 | 173.2 | -157.3 | 57 | 0 | 0 | 0 | 113.8 | R32 | R32-N34 PolarHBondContact O-N 3.01Å; R32-N34 VanDerWaalsContact O-N 3.14Å |
| 35 | V | 57.1 | Low | 56.7 | Low | 104 Ų | 104 | 136.4 Ų | 136.4 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -115.2 | -48 | -168.7 | -176.7 | 0 | 0 | 0 | 0 | 115.4 | R32 M33 | R32-V35 PolarHBondContact O-N 3.43Å; M33-V35 VanDerWaalsContact C-N 3.34Å |
| 36 | N | 54.2 | Low | 56.8 | Low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | -132.9 | 101.9 | -171.6 | -71.1 | -11.2 | 0 | 0 | 0 | 113.5 | ||||
| 37 | S | 51.8 | Low | 56.8 | Low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | -55 | 174.6 | 157.4 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 38 | T | 57.9 | Low | 57.1 | Low | 112 Ų | 112 | 136.7 Ų | 136.7 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | 78.6 | 131 | 152.9 | -2.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 39 | D | 64 | Low | 57.5 | Low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | cis | -168.4 | 119.9 | -13.8 | -101 | -17.9 | 0 | 0 | 0 | 99.9 | ||||
| 40 | T | 57.3 | Low | 58.1 | Low | 100 Ų | 100 | 144.8 Ų | 144.8 | 61% | 0.613 | 74% | 0.744 | S | S | * | * | 82 | 142.3 | 96.8 | -35.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 41 | E | 59.4 | Low | 58.6 | Low | 152 Ų | 152 | 141.3 Ų | 141.3 | 71% | 0.71 | 74% | 0.74 | S | S | * | * | trans | 73.4 | 136.6 | 155.7 | -76.2 | 162 | -167.8 | 0 | 0 | 114 | ||||
| 42 | E | 61.6 | Low | 58.8 | Low | 160 Ų | 160 | 140.4 Ų | 140.4 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | cis | 164.5 | 162.7 | 18.7 | -115.5 | 169.7 | -176.9 | 0 | 0 | 100.4 | ||||
| 43 | D | 67.4 | Low | 59.2 | Low | 130 Ų | 130 | 137.7 Ų | 137.7 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -167 | 137.8 | 4 | -174.6 | 9.4 | 0 | 0 | 0 | 101.3 | ||||
| 44 | L | 56.7 | Low | 59.6 | Low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -103.5 | 111.4 | 177.6 | -85.7 | 166.7 | 0 | 0 | 0 | 107 | ||||
| 45 | T | 59.8 | Low | 59.3 | Low | 125 Ų | 125 | 136.5 Ų | 136.5 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | trans | -142 | 97.4 | 156.4 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 46 | Q | 54.6 | Low | 58.9 | Low | 188 Ų | 188 | 137.8 Ų | 137.8 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | -67.4 | 148.7 | 151.7 | -79.7 | 174.4 | -19.8 | 0 | 0 | 108.7 | ||||
| 47 | E | 50.2 | Low | 58.6 | Low | 192 Ų | 192 | 135.2 Ų | 135.2 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | trans | -124.9 | 117.3 | 152.7 | -133.8 | 172 | -176.8 | 0 | 0 | 108.1 | ||||
| 48 | S | 58.5 | Low | 58.4 | Low | 86 Ų | 86 | 135.1 Ų | 135.1 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | trans | -31.2 | 167.9 | 147 | -2.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 49 | D | 62.6 | Low | 58.3 | Low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | cis | -170.4 | 168.3 | 27.7 | -112.6 | -28.3 | 0 | 0 | 0 | 108.6 | ||||
| 50 | E | 66 | Low | 57.7 | Low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | 71.6 | 139.3 | 155.4 | -70.1 | 165.7 | -177.9 | 0 | 0 | 117 | ||||
| 51 | D | 64.3 | Low | 57.9 | Low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | cis | -162.3 | 160.2 | 13.8 | -112 | -25.5 | 0 | 0 | 0 | 108.8 | ||||
| 52 | D | 62 | Low | 58.4 | Low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | trans | 69.3 | 153.6 | 145.9 | -72.4 | -29.5 | 0 | 0 | 0 | 122.7 | ||||
| 53 | D | 62.8 | Low | 59.1 | Low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | 92.8 | 125.3 | 160.1 | -60.3 | -28.7 | 0 | 0 | 0 | 119.7 | ||||
| 54 | D | 64.5 | Low | 59.6 | Low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | 56.8 | 106.7 | 153.2 | -68.5 | -24.4 | 0 | 0 | 0 | 117.9 | ||||
| 55 | N | 53.1 | Low | 60.4 | Low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | trans | -152.7 | 74.5 | 143.2 | -123.7 | -11.8 | 0 | 0 | 0 | 115.5 | N57 | N55-N57 HydrophobicContact CB-CB 4.36Å; N55-N57 PolarHBondContact ND2-ND2 2.99Å; N55-N57 PolarHBondContact O-N 3.21Å; N55-N57 WeakPolarHBondContact OD1-CB 3.49Å; N55-N57 PolarHBondContact OD1-ND2 3.32Å; N55-N57 VanDerWaalsContact OD1-ND2 3.15Å | ||
| 56 | S | 47.9 | Very low | 61.3 | Low | 131 Ų | 131 | 129.9 Ų | 129.9 | 92% | 0.916 | 69% | 0.685 | S | S | * | * | trans | -69.4 | 58.5 | 147.4 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | S58 | S56-S58 PolarHBondContact O-N 2.96Š| ||
| 57 | N | 47.5 | Very low | 62.6 | Low | 94 Ų | 94 | 125.6 Ų | 125.6 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | trans | -87.3 | 97.2 | 176.2 | -121.3 | -10.9 | 0 | 0 | 0 | 109.7 | N55 N59 | N55-N57 HydrophobicContact CB-CB 4.36Å; N55-N57 PolarHBondContact ND2-ND2 2.99Å; N55-N57 PolarHBondContact O-N 3.21Å; N55-N57 WeakPolarHBondContact OD1-CB 3.49Å; N55-N57 PolarHBondContact OD1-ND2 3.32Å; N55-N57 VanDerWaalsContact OD1-ND2 3.15Å; N57-N59 PolarHBondContact O-N 3.42Å | ||
| 58 | S | 47.7 | Very low | 64.3 | Low | 97 Ų | 97 | 122.2 Ų | 122.2 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | trans | -66 | 80 | 155.7 | 172.1 | 0 | 0 | 0 | 0 | 108.2 | S56 I60 | S56-S58 PolarHBondContact O-N 2.96Å; S58-I60 PolarHBondContact O-N 2.91Å | ||
| 59 | N | 56.8 | Low | 65.5 | Low | 131 Ų | 131 | 123.9 Ų | 123.9 | 70% | 0.701 | 65% | 0.646 | S | S | * | * | trans | -67.9 | 63.5 | 175 | -108.7 | 3.9 | 0 | 0 | 0 | 110.6 | N57 I61 | N57-N59 PolarHBondContact O-N 3.42Å; N59-I61 PolarHBondContact O-N 3.46Å | ||
| 60 | I | 51 | Low | 66.6 | Low | 129 Ų | 129 | 122.2 Ų | 122.2 | 66% | 0.662 | 64% | 0.637 | S | S | * | * | trans | -70.1 | 111.6 | 162.1 | -65 | 171 | 0 | 0 | 0 | 104.5 | S58 D62 | S58-I60 PolarHBondContact O-N 2.91Å; I60-D62 PolarHBondContact O-N 2.93Å | ||
| 61 | I | 61.7 | Low | 67.7 | Low | 112 Ų | 112 | 120.6 Ų | 120.6 | 57% | 0.574 | 63% | 0.629 | S | S | * | * | trans | -57.5 | 114 | 173.8 | -60.2 | 170.6 | 0 | 0 | 0 | 106.9 | N59 I66 | N59-I61 PolarHBondContact O-N 3.46Å; I61-I66 HydrophobicContact CG2-CD1 3.71Å; I61-I66 HydrophobicContact CG2-CG1 3.52Å | ||
| 62 | D | 70.1 | Confident | 68.8 | Low | 107 Ų | 107 | 121.8 Ų | 121.8 | 57% | 0.572 | 62% | 0.624 | S | S | * | * | trans | -63.5 | 136.8 | 176.4 | -79.8 | -37.8 | 0 | 0 | 0 | 109.7 | I60 E64 Q65 I66 | I60-D62 PolarHBondContact O-N 2.93Å; D62-E64 PolarHBondContact O-N 2.9Å; D62-E64 VanDerWaalsContact O-N 3.12Å; D62-Q65 PolarHBondContact O-N 3.33Å; D62-I66 PolarHBondContact O-N 2.93Å | ||
| 63 | E | 74.9 | Confident | 69.9 | Low | 142 Ų | 142 | 118.3 Ų | 118.3 | 66% | 0.664 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.2 | -31.2 | -178.4 | -170.5 | 175.7 | 168.3 | 0 | 0 | 111.9 | I66 Q67 | E63-I66 PolarHBondContact O-N 3.37Å; E63-Q67 WeakPolarHBondContact O-CG 3.41Å; E63-Q67 PolarHBondContact O-N 3.39Å |
| 64 | E | 79.6 | Confident | 71 | Confident | 140 Ų | 140 | 116.8 Ų | 116.8 | 65% | 0.654 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63 | -43.1 | 176.9 | -167.4 | 168.5 | -160.8 | 0 | 0 | 112.5 | D62 I66 Q67 E68 | D62-E64 PolarHBondContact O-N 2.9Å; D62-E64 VanDerWaalsContact O-N 3.12Å; E64-I66 VanDerWaalsContact C-N 3.31Å; E64-I66 PolarHBondContact O-N 3.45Å; E64-Q67 PolarHBondContact O-N 2.96Å; E64-Q67 VanDerWaalsContact O-N 3.16Å; E64-E68 WeakPolarHBondContact O-CG 3.38Å; E64-E68 PolarHBondContact O-N 2.8Å |
| 65 | Q | 72.8 | Confident | 72.2 | Confident | 123 Ų | 123 | 113 Ų | 113 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.5 | -34.5 | 177.7 | -72.7 | -171.3 | -17.6 | 0 | 0 | 112.3 | D62 F69 | D62-Q65 PolarHBondContact O-N 3.33Å; Q65-F69 WeakPolarHBondContact O-CB 3.23Å; Q65-F69 PolarHBondContact O-N 3.45Å |
| 66 | I | 78.6 | Confident | 73.6 | Confident | 81 Ų | 81 | 111.8 Ų | 111.8 | 42% | 0.415 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68 | -42.5 | 175 | -60.8 | 175.5 | 0 | 0 | 0 | 109.8 | I61 D62 E63 E64 F69 L70 | I61-I66 HydrophobicContact CG2-CD1 3.71Å; I61-I66 HydrophobicContact CG2-CG1 3.52Å; D62-I66 PolarHBondContact O-N 2.93Å; E63-I66 PolarHBondContact O-N 3.37Å; E64-I66 VanDerWaalsContact C-N 3.31Å; E64-I66 PolarHBondContact O-N 3.45Å; I66-F69 PolarHBondContact O-N 3.47Å; I66-L70 HydrophobicContact CG2-CD1 4.08Å; I66-L70 HydrophobicContact CG2-CG 4.39Å; I66-L70 WeakPolarHBondContact O-CB 3.27Å; I66-L70 VanDerWaalsContact O-CG 3.28Å; I66-L70 WeakPolarHBondContact O-CG 3.39Å; I66-L70 PolarHBondContact O-N 2.94Å |
| 67 | Q | 82.1 | Confident | 75.1 | Confident | 97 Ų | 97 | 113.5 Ų | 113.5 | 45% | 0.453 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -43.7 | 178 | -70.8 | -178 | 13.9 | 0 | 0 | 111.8 | E63 E64 F69 L70 Q71 | E63-Q67 WeakPolarHBondContact O-CG 3.41Å; E63-Q67 PolarHBondContact O-N 3.39Å; E64-Q67 PolarHBondContact O-N 2.96Å; E64-Q67 VanDerWaalsContact O-N 3.16Å; Q67-F69 VanDerWaalsContact C-N 3.34Å; Q67-F69 PolarHBondContact O-N 3.31Å; Q67-L70 PolarHBondContact O-N 3.4Å; Q67-Q71 WeakPolarHBondContact O-CG 3.34Å; Q67-Q71 PolarHBondContact O-N 2.84Å |
| 68 | E | 85 | Confident | 76.8 | Confident | 121 Ų | 121 | 117.1 Ų | 117.1 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.6 | -44.3 | 174.1 | -73.9 | -173.6 | 168.3 | 0 | 0 | 111.7 | E64 Q71 W72 | E64-E68 WeakPolarHBondContact O-CG 3.38Å; E64-E68 PolarHBondContact O-N 2.8Å; E68-Q71 PolarHBondContact O-N 3.22Å; E68-W72 WeakPolarHBondContact O-CB 3.36Å; E68-W72 PolarHBondContact O-N 2.91Å |
| 69 | F | 83.8 | Confident | 78.4 | Confident | 122 Ų | 122 | 114.8 Ų | 114.8 | 54% | 0.535 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177 | -179.2 | -103.8 | 0 | 0 | 0 | 112.1 | Q65 I66 Q67 W72 V73 | Q65-F69 WeakPolarHBondContact O-CB 3.23Å; Q65-F69 PolarHBondContact O-N 3.45Å; I66-F69 PolarHBondContact O-N 3.47Å; Q67-F69 VanDerWaalsContact C-N 3.34Å; Q67-F69 PolarHBondContact O-N 3.31Å; F69-W72 HydrophobicContact CD2-CE3 4.22Å; F69-W72 AromaticContact CE2-CE3 3.99Å; F69-W72 HydrophobicContact CE2-CE3 3.99Å; F69-W72 HydrophobicContact CE2-CZ3 4.04Å; F69-W72 WeakPolarHBondContact O-CB 3.47Å; F69-W72 PolarHBondContact O-N 2.93Å; F69-V73 HydrophobicContact CD1-CG2 4.22Å; F69-V73 HydrophobicContact CE1-CG2 3.78Å; F69-V73 HydrophobicContact CE2-CG2 4.18Å; F69-V73 HydrophobicContact CZ-CG2 3.75Å; F69-V73 WeakPolarHBondContact O-CG2 3.28Å; F69-V73 PolarHBondContact O-N 3.5Å |
| 70 | L | 87.3 | Confident | 79.3 | Confident | 98 Ų | 98 | 116.7 Ų | 116.7 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.6 | -72.9 | 173.3 | 0 | 0 | 0 | 111.7 | I66 Q67 W72 V73 E74 | I66-L70 HydrophobicContact CG2-CD1 4.08Å; I66-L70 HydrophobicContact CG2-CG 4.39Å; I66-L70 WeakPolarHBondContact O-CB 3.27Å; I66-L70 VanDerWaalsContact O-CG 3.28Å; I66-L70 WeakPolarHBondContact O-CG 3.39Å; I66-L70 PolarHBondContact O-N 2.94Å; Q67-L70 PolarHBondContact O-N 3.4Å; L70-W72 VanDerWaalsContact C-N 3.31Å; L70-W72 PolarHBondContact O-N 3.32Å; L70-V73 PolarHBondContact O-N 3.36Å; L70-E74 WeakPolarHBondContact O-CG 3.48Å; L70-E74 PolarHBondContact O-N 2.89Å |
| 71 | Q | 87.8 | Confident | 80.5 | Confident | 129 Ų | 129 | 116.3 Ų | 116.3 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 174.5 | -71.8 | -179 | 12.9 | 0 | 0 | 111.7 | Q67 E68 E74 S75 | Q67-Q71 WeakPolarHBondContact O-CG 3.34Å; Q67-Q71 PolarHBondContact O-N 2.84Å; E68-Q71 PolarHBondContact O-N 3.22Å; Q71-E74 PolarHBondContact O-N 3.37Å; Q71-S75 WeakPolarHBondContact O-CB 3.49Å; Q71-S75 PolarHBondContact O-N 2.88Å |
| 72 | W | 88.3 | Confident | 81.1 | Confident | 148 Ų | 148 | 114.2 Ų | 114.2 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -45.4 | 175.8 | 179.9 | 85.8 | 0 | 0 | 0 | 111.9 | E68 F69 L70 E74 S75 K76 | E68-W72 WeakPolarHBondContact O-CB 3.36Å; E68-W72 PolarHBondContact O-N 2.91Å; F69-W72 HydrophobicContact CD2-CE3 4.22Å; F69-W72 AromaticContact CE2-CE3 3.99Å; F69-W72 HydrophobicContact CE2-CE3 3.99Å; F69-W72 HydrophobicContact CE2-CZ3 4.04Å; F69-W72 WeakPolarHBondContact O-CB 3.47Å; F69-W72 PolarHBondContact O-N 2.93Å; L70-W72 VanDerWaalsContact C-N 3.31Å; L70-W72 PolarHBondContact O-N 3.32Å; W72-E74 PolarHBondContact O-N 3.39Å; W72-S75 WeakPolarHBondContact O-CB 3.43Å; W72-S75 PolarHBondContact O-N 3.29Å; W72-K76 HydrophobicContact CD2-CG 4.41Å; W72-K76 HydrophobicContact CZ2-CG 4.26Å; W72-K76 WeakPolarHBondContact O-CG 3.06Å; W72-K76 PolarHBondContact O-N 3.18Å |
| 73 | V | 84 | Confident | 80.8 | Confident | 61 Ų | 61 | 114.3 Ų | 114.3 | 37% | 0.37 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | F69 L70 S75 K76 R77 | F69-V73 HydrophobicContact CD1-CG2 4.22Å; F69-V73 HydrophobicContact CE1-CG2 3.78Å; F69-V73 HydrophobicContact CE2-CG2 4.18Å; F69-V73 HydrophobicContact CZ-CG2 3.75Å; F69-V73 WeakPolarHBondContact O-CG2 3.28Å; F69-V73 PolarHBondContact O-N 3.5Å; L70-V73 PolarHBondContact O-N 3.36Å; V73-S75 VanDerWaalsContact C-N 3.35Å; V73-S75 PolarHBondContact O-N 3.4Å; V73-K76 PolarHBondContact O-N 3.29Å; V73-R77 WeakPolarHBondContact O-CB 3.36Å; V73-R77 PolarHBondContact O-N 3.01Å |
| 74 | E | 87.1 | Confident | 80.2 | Confident | 112 Ų | 112 | 111.4 Ų | 111.4 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 177.2 | -77.5 | -169.5 | 172.4 | 0 | 0 | 113 | L70 Q71 W72 R77 R78 | L70-E74 WeakPolarHBondContact O-CG 3.48Å; L70-E74 PolarHBondContact O-N 2.89Å; Q71-E74 PolarHBondContact O-N 3.37Å; W72-E74 PolarHBondContact O-N 3.39Å; E74-R77 PolarHBondContact O-N 3.45Å; E74-R78 WeakPolarHBondContact O-CB 3.46Å; E74-R78 PolarHBondContact O-N 2.9Å; E74-R78 IonicContact OE2-NH2 3.92Å |
| 75 | S | 88 | Confident | 79.1 | Confident | 70 Ų | 70 | 110.5 Ų | 110.5 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 111 | Q71 W72 V73 R78 A79 | Q71-S75 WeakPolarHBondContact O-CB 3.49Å; Q71-S75 PolarHBondContact O-N 2.88Å; W72-S75 WeakPolarHBondContact O-CB 3.43Å; W72-S75 PolarHBondContact O-N 3.29Å; V73-S75 VanDerWaalsContact C-N 3.35Å; V73-S75 PolarHBondContact O-N 3.4Å; S75-R78 PolarHBondContact O-N 2.82Å; S75-A79 PolarHBondContact O-N 3.49Å |
| 76 | K | 82.5 | Confident | 78 | Confident | 103 Ų | 103 | 111.5 Ų | 111.5 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 176.5 | -68.4 | -63.2 | -177 | -177.3 | 0 | 111.9 | W72 V73 R78 A79 Y80 | W72-K76 HydrophobicContact CD2-CG 4.41Å; W72-K76 HydrophobicContact CZ2-CG 4.26Å; W72-K76 WeakPolarHBondContact O-CG 3.06Å; W72-K76 PolarHBondContact O-N 3.18Å; V73-K76 PolarHBondContact O-N 3.29Å; K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.34Å; K76-A79 PolarHBondContact O-N 3.37Å; K76-Y80 WeakPolarHBondContact O-CD2 3.39Å; K76-Y80 PolarHBondContact O-N 3.47Å |
| 77 | R | 79.9 | Confident | 77 | Confident | 166 Ų | 166 | 112 Ų | 112 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.6 | -48.5 | 176.2 | -174 | 178.5 | 176.8 | -157.2 | 0.2 | 111 | V73 E74 A79 Y80 F81 | V73-R77 WeakPolarHBondContact O-CB 3.36Å; V73-R77 PolarHBondContact O-N 3.01Å; E74-R77 PolarHBondContact O-N 3.45Å; R77-A79 VanDerWaalsContact C-N 3.34Å; R77-A79 PolarHBondContact O-N 3.01Å; R77-Y80 PolarHBondContact O-N 3.37Å; R77-F81 HydrophobicContact CG-CD2 3.75Å; R77-F81 HydrophobicContact CG-CE2 3.73Å; R77-F81 VanDerWaalsContact O-CD2 3.3Å; R77-F81 WeakPolarHBondContact O-CD2 3.37Å; R77-F81 PolarHBondContact O-N 3.16Å |
| 78 | R | 84.3 | Confident | 75.8 | Confident | 170 Ų | 170 | 112.4 Ų | 112.4 | 64% | 0.642 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60 | -41.7 | 177.2 | -80.7 | -173.6 | -86.6 | -175.5 | -9.7 | 112.7 | E74 S75 K76 F81 S82 | E74-R78 WeakPolarHBondContact O-CB 3.46Å; E74-R78 PolarHBondContact O-N 2.9Å; E74-R78 IonicContact OE2-NH2 3.92Å; S75-R78 PolarHBondContact O-N 2.82Å; K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.34Å; R78-F81 PolarHBondContact O-N 3.04Å; R78-S82 WeakPolarHBondContact O-CB 3.45Å; R78-S82 PolarHBondContact O-N 3.15Å |
| 79 | A | 81.2 | Confident | 74.3 | Confident | 48 Ų | 48 | 112.1 Ų | 112.1 | 40% | 0.397 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.8 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S75 K76 R77 S82 L83 | S75-A79 PolarHBondContact O-N 3.49Å; K76-A79 PolarHBondContact O-N 3.37Å; R77-A79 VanDerWaalsContact C-N 3.34Å; R77-A79 PolarHBondContact O-N 3.01Å; A79-S82 PolarHBondContact O-N 3.3Å; A79-L83 PolarHBondContact O-N 2.91Å |
| 80 | Y | 76.2 | Confident | 72.3 | Confident | 171 Ų | 171 | 117.4 Ų | 117.4 | 67% | 0.671 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.9 | -47.2 | 176.3 | -81.8 | -69.7 | 0 | 0 | 0 | 112.4 | K76 R77 S82 L83 T84 | K76-Y80 WeakPolarHBondContact O-CD2 3.39Å; K76-Y80 PolarHBondContact O-N 3.47Å; R77-Y80 PolarHBondContact O-N 3.37Å; Y80-S82 VanDerWaalsContact C-N 3.3Å; Y80-S82 PolarHBondContact O-N 2.87Å; Y80-L83 PolarHBondContact O-N 2.94Å; Y80-T84 PolarHBondContact O-N 3.2Å; Y80-T84 VanDerWaalsContact O-N 3.11Å; Y80-T84 PolarHBondContact O-OG1 3.21Å; Y80-T84 VanDerWaalsContact O-OG1 3.04Å |
| 81 | F | 76.1 | Confident | 71.6 | Confident | 122 Ų | 122 | 118.4 Ų | 118.4 | 54% | 0.535 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -34.9 | 177.5 | -85.1 | -77.2 | 0 | 0 | 0 | 112.6 | R77 R78 N85 | R77-F81 HydrophobicContact CG-CD2 3.75Å; R77-F81 HydrophobicContact CG-CE2 3.73Å; R77-F81 VanDerWaalsContact O-CD2 3.3Å; R77-F81 WeakPolarHBondContact O-CD2 3.37Å; R77-F81 PolarHBondContact O-N 3.16Å; R78-F81 PolarHBondContact O-N 3.04Å; F81-N85 PolarHBondContact O-N 3.34Å |
| 82 | S | 73.1 | Confident | 70.7 | Confident | 67 Ų | 67 | 117.8 Ų | 117.8 | 47% | 0.469 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.5 | -44.5 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 112 | R78 A79 Y80 N85 Q86 | R78-S82 WeakPolarHBondContact O-CB 3.45Å; R78-S82 PolarHBondContact O-N 3.15Å; A79-S82 PolarHBondContact O-N 3.3Å; Y80-S82 VanDerWaalsContact C-N 3.3Å; Y80-S82 PolarHBondContact O-N 2.87Å; S82-N85 PolarHBondContact O-N 2.77Å; S82-Q86 PolarHBondContact O-N 3.22Å |
| 83 | L | 64.3 | Low | 69.8 | Low | 110 Ų | 110 | 116.2 Ų | 116.2 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.1 | -42.3 | 177.4 | -104.9 | 110 | 0 | 0 | 0 | 112.5 | A79 Y80 N85 Q86 T87 | A79-L83 PolarHBondContact O-N 2.91Å; Y80-L83 PolarHBondContact O-N 2.94Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 PolarHBondContact O-N 3.14Å; L83-Q86 PolarHBondContact O-N 3.4Å; L83-Q86 VanDerWaalsContact O-N 3.14Å; L83-T87 PolarHBondContact O-N 3.12Å; L83-T87 PolarHBondContact O-OG1 3.26Å |
| 84 | T | 61.4 | Low | 68.9 | Low | 80 Ų | 80 | 119.4 Ų | 119.4 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.9 | -37 | -179.8 | -50.4 | 0 | 0 | 0 | 0 | 112 | Y80 Q86 T87 T88 | Y80-T84 PolarHBondContact O-N 3.2Å; Y80-T84 VanDerWaalsContact O-N 3.11Å; Y80-T84 PolarHBondContact O-OG1 3.21Å; Y80-T84 VanDerWaalsContact O-OG1 3.04Å; T84-Q86 VanDerWaalsContact C-N 3.3Å; T84-Q86 PolarHBondContact O-N 3.05Å; T84-T87 PolarHBondContact O-N 3.06Å; T84-T88 PolarHBondContact O-N 3.22Å; T84-T88 PolarHBondContact O-OG1 3Å |
| 85 | N | 56.6 | Low | 67.8 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 65% | 0.652 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.2 | -21.7 | 175.4 | -72.5 | -8.9 | 0 | 0 | 0 | 113.3 | F81 S82 L83 | F81-N85 PolarHBondContact O-N 3.34Å; S82-N85 PolarHBondContact O-N 2.77Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 PolarHBondContact O-N 3.14Å |
| 86 | Q | 51 | Low | 66.5 | Low | 143 Ų | 143 | 123.2 Ų | 123.2 | 67% | 0.668 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -81.2 | -29.2 | 171 | -73.4 | -174.6 | 2.5 | 0 | 0 | 113 | S82 L83 T84 | S82-Q86 PolarHBondContact O-N 3.22Å; L83-Q86 PolarHBondContact O-N 3.4Å; L83-Q86 VanDerWaalsContact O-N 3.14Å; T84-Q86 VanDerWaalsContact C-N 3.3Å; T84-Q86 PolarHBondContact O-N 3.05Å |
| 87 | T | 58 | Low | 65.3 | Low | 91 Ų | 91 | 124.6 Ų | 124.6 | 56% | 0.558 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -86.8 | -17.8 | -174.4 | -42.2 | 0 | 0 | 0 | 0 | 113 | L83 T84 | L83-T87 PolarHBondContact O-N 3.12Å; L83-T87 PolarHBondContact O-OG1 3.26Å; T84-T87 PolarHBondContact O-N 3.06Å |
| 88 | T | 56.6 | Low | 64.2 | Low | 107 Ų | 107 | 121.5 Ų | 121.5 | 66% | 0.656 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -2.9 | -175.5 | -49.4 | 0 | 0 | 0 | 0 | 114.2 | T84 | T84-T88 PolarHBondContact O-N 3.22Å; T84-T88 PolarHBondContact O-OG1 3Å |
| 89 | S | 53.7 | Low | 62.5 | Low | 115 Ų | 115 | 117.4 Ų | 117.4 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 15.2 | 176.2 | -66.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 90 | Q | 42 | Very low | 60.8 | Low | 233 Ų | 233 | 123.7 Ų | 123.7 | 100% | 1.089 | 65% | 0.652 | S | S | * | * | trans | -106.9 | 0 | 167.9 | -77.5 | -170.5 | -16.4 | 0 | 0 | 110.1 |
Retrieved 90 of 90 residues in 30.5 ms
(Link to these results)