| 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 | 74.3 | Confident | 87 | Confident | 185 Ų | 185 | 127.5 Ų | 127.5 | 91% | 0.911 | 60% | 0.6 | S | S | * | * | 0 | -48.9 | 0 | -79.1 | -61.1 | -136 | 0 | 0 | 113.2 | K3 I4 I5 | M1-K3 PolarHBondContact O-N 3.02Å; M1-I4 PolarHBondContact O-N 2.93Å; M1-I4 VanDerWaalsContact O-N 3.12Å; M1-I5 PolarHBondContact O-N 3.32Å | |||
| 2 | E | 87.1 | Confident | 87.3 | Confident | 157 Ų | 157 | 129.8 Ų | 129.8 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -57 | -42.4 | -175 | -64.3 | -178.5 | 161.2 | 0 | 0 | 115.1 | I4 I5 Q6 | E2-I4 VanDerWaalsContact C-N 3.27Å; E2-I4 PolarHBondContact O-N 3.4Å; E2-I5 PolarHBondContact O-N 2.96Å; E2-I5 VanDerWaalsContact O-N 3.11Å; E2-Q6 PolarHBondContact O-N 3.28Å |
| 3 | K | 88 | Confident | 87.5 | Confident | 176 Ų | 176 | 131.7 Ų | 131.7 | 77% | 0.765 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -56.7 | -38.4 | 176.9 | -69.9 | -176.9 | 177.6 | 179.9 | 0 | 112.8 | M1 Q7 | M1-K3 PolarHBondContact O-N 3.02Å; K3-Q7 WeakPolarHBondContact O-CB 3.23Å; K3-Q7 VanDerWaalsContact O-CG 3.23Å; K3-Q7 WeakPolarHBondContact O-CG 3.45Å; K3-Q7 PolarHBondContact O-N 3.31Å |
| 4 | I | 87.6 | Confident | 87.6 | Confident | 107 Ų | 107 | 134.2 Ų | 134.2 | 55% | 0.549 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.9 | -41.5 | 178.7 | -60.5 | 173.7 | 0 | 0 | 0 | 110 | M1 E2 Q7 L8 | M1-I4 PolarHBondContact O-N 2.93Å; M1-I4 VanDerWaalsContact O-N 3.12Å; E2-I4 VanDerWaalsContact C-N 3.27Å; E2-I4 PolarHBondContact O-N 3.4Å; I4-Q7 PolarHBondContact O-N 2.97Å; I4-L8 HydrophobicContact CG2-CD1 4.29Å; I4-L8 WeakPolarHBondContact O-CG 3.49Å; I4-L8 PolarHBondContact O-N 3.38Å |
| 5 | I | 87.1 | Confident | 87.8 | Confident | 89 Ų | 89 | 135.1 Ų | 135.1 | 46% | 0.456 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 177.6 | -62.5 | 173 | 0 | 0 | 0 | 110.8 | M1 E2 L8 K9 | M1-I5 PolarHBondContact O-N 3.32Å; E2-I5 PolarHBondContact O-N 2.96Å; E2-I5 VanDerWaalsContact O-N 3.11Å; I5-L8 PolarHBondContact O-N 3.11Å; I5-K9 HydrophobicContact CG2-CD 4.48Å; I5-K9 WeakPolarHBondContact O-CG 3.36Å; I5-K9 PolarHBondContact O-N 3.33Å |
| 6 | Q | 88.8 | Confident | 88.1 | Confident | 124 Ų | 124 | 138.4 Ų | 138.4 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.9 | -46.8 | 175.8 | -76.2 | -176.9 | -23.6 | 0 | 0 | 111.8 | E2 L8 K9 E10 | E2-Q6 PolarHBondContact O-N 3.28Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; Q6-L8 PolarHBondContact O-N 3.12Å; Q6-K9 WeakPolarHBondContact O-CB 3.37Å; Q6-K9 PolarHBondContact O-N 3.16Å; Q6-K9 VanDerWaalsContact O-N 3.1Å; Q6-E10 PolarHBondContact O-N 3.29Å |
| 7 | Q | 86.8 | Confident | 88.3 | Confident | 114 Ų | 114 | 135.1 Ų | 135.1 | 53% | 0.533 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -55.9 | -42.7 | 174.2 | -76.1 | -93.3 | -27.2 | 0 | 0 | 112.3 | K3 I4 E10 K11 | K3-Q7 WeakPolarHBondContact O-CB 3.23Å; K3-Q7 VanDerWaalsContact O-CG 3.23Å; K3-Q7 WeakPolarHBondContact O-CG 3.45Å; K3-Q7 PolarHBondContact O-N 3.31Å; I4-Q7 PolarHBondContact O-N 2.97Å; Q7-E10 PolarHBondContact O-N 2.92Å; Q7-K11 WeakPolarHBondContact O-CB 3.44Å; Q7-K11 WeakPolarHBondContact O-CG 3.4Å; Q7-K11 PolarHBondContact O-N 2.99Å |
| 8 | L | 88.1 | Confident | 88.6 | Confident | 90 Ų | 90 | 134.1 Ų | 134.1 | 47% | 0.471 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68 | -35.6 | 176.5 | -71.9 | 173 | 0 | 0 | 0 | 113 | I4 I5 Q6 R12 | I4-L8 HydrophobicContact CG2-CD1 4.29Å; I4-L8 WeakPolarHBondContact O-CG 3.49Å; I4-L8 PolarHBondContact O-N 3.38Å; I5-L8 PolarHBondContact O-N 3.11Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; Q6-L8 PolarHBondContact O-N 3.12Å; L8-R12 PolarHBondContact O-N 2.86Å; L8-R12 VanDerWaalsContact O-N 3.08Å |
| 9 | K | 90.4 | Very high | 88.9 | Confident | 133 Ų | 133 | 133 Ų | 133 | 58% | 0.578 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.1 | -44.9 | 174.3 | -76 | -179.2 | 179.3 | -178.3 | 0 | 111 | I5 Q6 R12 K13 | I5-K9 HydrophobicContact CG2-CD 4.48Å; I5-K9 WeakPolarHBondContact O-CG 3.36Å; I5-K9 PolarHBondContact O-N 3.33Å; Q6-K9 WeakPolarHBondContact O-CB 3.37Å; Q6-K9 PolarHBondContact O-N 3.16Å; Q6-K9 VanDerWaalsContact O-N 3.1Å; K9-R12 PolarHBondContact O-N 2.91Å; K9-K13 PolarHBondContact O-N 3.47Å |
| 10 | E | 89.8 | Confident | 89.2 | Confident | 102 Ų | 102 | 131.8 Ų | 131.8 | 48% | 0.477 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63 | -44.7 | 176.3 | -74.3 | -172 | -174.4 | 0 | 0 | 112.3 | Q6 Q7 R12 K13 R14 | Q6-E10 PolarHBondContact O-N 3.29Å; Q7-E10 PolarHBondContact O-N 2.92Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 3.1Å; E10-K13 PolarHBondContact O-N 3.08Å; E10-K13 VanDerWaalsContact O-N 3.16Å; E10-R14 WeakPolarHBondContact O-CG 3.48Å; E10-R14 PolarHBondContact O-N 3.33Å; E10-R14 IonicContact OE2-NH2 3.78Å |
| 11 | K | 89.4 | Confident | 89.5 | Confident | 125 Ų | 125 | 130.2 Ų | 130.2 | 54% | 0.543 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.5 | -42.3 | 175.1 | -76.3 | -178.7 | -179.2 | -175.6 | 0 | 111.6 | Q7 K15 | Q7-K11 WeakPolarHBondContact O-CB 3.44Å; Q7-K11 WeakPolarHBondContact O-CG 3.4Å; Q7-K11 PolarHBondContact O-N 2.99Å; K11-K15 WeakPolarHBondContact O-CB 3.42Å; K11-K15 WeakPolarHBondContact O-CG 3.36Å; K11-K15 PolarHBondContact O-N 3.08Å |
| 12 | R | 90 | Very high | 90.6 | Very high | 155 Ų | 155 | 126.3 Ų | 126.3 | 59% | 0.585 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.1 | -42.4 | 174.9 | -84.4 | -172.2 | -82.8 | -174.1 | -7.2 | 112.3 | L8 K9 E10 K15 R16 | L8-R12 PolarHBondContact O-N 2.86Å; L8-R12 VanDerWaalsContact O-N 3.08Å; K9-R12 PolarHBondContact O-N 2.91Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 3.1Å; R12-K15 PolarHBondContact O-N 2.93Å; R12-R16 WeakPolarHBondContact O-CG 3.33Å; R12-R16 PolarHBondContact O-N 3.18Å |
| 13 | K | 90.1 | Very high | 91 | Very high | 155 Ų | 155 | 123.4 Ų | 123.4 | 67% | 0.674 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.5 | -48.8 | 176.3 | -169.7 | 178.8 | -179.9 | -177.3 | 0 | 111 | K9 E10 K15 R16 T17 | K9-K13 PolarHBondContact O-N 3.47Å; E10-K13 PolarHBondContact O-N 3.08Å; E10-K13 VanDerWaalsContact O-N 3.16Å; K13-K15 PolarHBondContact O-N 3.28Å; K13-R16 PolarHBondContact O-N 2.99Å; K13-T17 PolarHBondContact O-N 3.43Å; K13-T17 PolarHBondContact O-OG1 3.01Å; K13-T17 VanDerWaalsContact O-OG1 3.08Å |
| 14 | R | 89.2 | Confident | 91.4 | Very high | 167 Ų | 167 | 119.3 Ų | 119.3 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.8 | -45.1 | 176.7 | -68.9 | -177.9 | -166.4 | -157.5 | 5.3 | 112 | E10 R16 T17 L18 | E10-R14 WeakPolarHBondContact O-CG 3.48Å; E10-R14 PolarHBondContact O-N 3.33Å; E10-R14 IonicContact OE2-NH2 3.78Å; R14-R16 PolarHBondContact O-N 3.46Å; R14-T17 PolarHBondContact O-N 2.98Å; R14-L18 WeakPolarHBondContact O-CG 3.49Å; R14-L18 PolarHBondContact O-N 3.26Å |
| 15 | K | 90.9 | Very high | 91.8 | Very high | 147 Ų | 147 | 118 Ų | 118 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.3 | -44.6 | 175.3 | -75.9 | -174.7 | 179.2 | -167.8 | 0 | 112.1 | K11 R12 K13 L18 I19 | K11-K15 WeakPolarHBondContact O-CB 3.42Å; K11-K15 WeakPolarHBondContact O-CG 3.36Å; K11-K15 PolarHBondContact O-N 3.08Å; R12-K15 PolarHBondContact O-N 2.93Å; K13-K15 PolarHBondContact O-N 3.28Å; K15-L18 PolarHBondContact O-N 3.38Å; K15-I19 WeakPolarHBondContact O-CD1 3.43Å; K15-I19 VanDerWaalsContact O-CG1 3.24Å; K15-I19 WeakPolarHBondContact O-CG1 3.42Å; K15-I19 PolarHBondContact O-N 3.49Å |
| 16 | R | 91.4 | Very high | 92.2 | Very high | 189 Ų | 189 | 118.2 Ų | 118.2 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.8 | -43.9 | 176.3 | -74.4 | 179.6 | 177.5 | -174.2 | -2.4 | 112 | R12 K13 R14 I19 L20 | R12-R16 WeakPolarHBondContact O-CG 3.33Å; R12-R16 PolarHBondContact O-N 3.18Å; K13-R16 PolarHBondContact O-N 2.99Å; R14-R16 PolarHBondContact O-N 3.46Å; R16-I19 PolarHBondContact O-N 3.43Å; R16-L20 WeakPolarHBondContact O-CB 3.48Å; R16-L20 PolarHBondContact O-N 2.95Å |
| 17 | T | 92.3 | Very high | 92.5 | Very high | 81 Ų | 81 | 116.2 Ų | 116.2 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | K13 R14 L20 L21 | K13-T17 PolarHBondContact O-N 3.43Å; K13-T17 PolarHBondContact O-OG1 3.01Å; K13-T17 VanDerWaalsContact O-OG1 3.08Å; R14-T17 PolarHBondContact O-N 2.98Å; T17-L20 PolarHBondContact O-N 2.95Å; T17-L21 WeakPolarHBondContact O-CB 3.36Å; T17-L21 PolarHBondContact O-N 3.34Å |
| 18 | L | 93.1 | Very high | 92.9 | Very high | 118 Ų | 118 | 114.6 Ų | 114.6 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 176.5 | -72.8 | 170.4 | 0 | 0 | 0 | 112.2 | R14 K15 L21 L22 | R14-L18 WeakPolarHBondContact O-CG 3.49Å; R14-L18 PolarHBondContact O-N 3.26Å; K15-L18 PolarHBondContact O-N 3.38Å; L18-L21 PolarHBondContact O-N 2.9Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 PolarHBondContact O-N 2.95Å |
| 19 | I | 94.8 | Very high | 93.2 | Very high | 113 Ų | 113 | 115.8 Ų | 115.8 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 176.1 | -68.8 | 163.8 | 0 | 0 | 0 | 110.6 | K15 R16 L21 L22 L23 | K15-I19 WeakPolarHBondContact O-CD1 3.43Å; K15-I19 VanDerWaalsContact O-CG1 3.24Å; K15-I19 WeakPolarHBondContact O-CG1 3.42Å; K15-I19 PolarHBondContact O-N 3.49Å; R16-I19 PolarHBondContact O-N 3.43Å; I19-L21 PolarHBondContact O-N 3.2Å; I19-L22 PolarHBondContact O-N 3.35Å; I19-L23 WeakPolarHBondContact O-CB 3.33Å; I19-L23 PolarHBondContact O-N 3.04Å |
| 20 | L | 95 | Very high | 93.5 | Very high | 109 Ų | 109 | 113.2 Ų | 113.2 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.7 | -44.4 | 177.9 | -165 | 93.2 | 0 | 0 | 0 | 111.3 | R16 T17 L23 I24 | R16-L20 WeakPolarHBondContact O-CB 3.48Å; R16-L20 PolarHBondContact O-N 2.95Å; T17-L20 PolarHBondContact O-N 2.95Å; L20-L23 PolarHBondContact O-N 3.36Å; L20-I24 HydrophobicContact CD2-CD1 4.37Å; L20-I24 HydrophobicContact CG-CD1 4.43Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 2.95Å |
| 21 | L | 95.8 | Very high | 93.6 | Very high | 99 Ų | 99 | 113.7 Ų | 113.7 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.9 | -167.7 | 122.2 | 0 | 0 | 0 | 111.6 | T17 L18 I19 L23 I24 I25 | T17-L21 WeakPolarHBondContact O-CB 3.36Å; T17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 2.9Å; I19-L21 PolarHBondContact O-N 3.2Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 3.35Å; L21-I24 PolarHBondContact O-N 3.34Å; L21-I25 HydrophobicContact CD2-CD1 3.81Å; L21-I25 HydrophobicContact CG-CD1 4.46Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.07Å; L21-I25 VanDerWaalsContact O-N 3.07Å |
| 22 | L | 96 | Very high | 93.7 | Very high | 103 Ų | 103 | 110.1 Ų | 110.1 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 174.5 | -175 | 68.7 | 0 | 0 | 0 | 111.5 | L18 I19 I24 I25 I26 | L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 PolarHBondContact O-N 2.95Å; I19-L22 PolarHBondContact O-N 3.35Å; L22-I24 PolarHBondContact O-N 2.96Å; L22-I25 PolarHBondContact O-N 3.37Å; L22-I26 HydrophobicContact CG-CD1 4.12Å; L22-I26 WeakPolarHBondContact O-CG1 3.24Å; L22-I26 PolarHBondContact O-N 2.95Å |
| 23 | L | 96.4 | Very high | 93.8 | Very high | 95 Ų | 95 | 110.1 Ų | 110.1 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 178.6 | -173.4 | 132.6 | 0 | 0 | 0 | 111.8 | I19 L20 L21 I26 I27 | I19-L23 WeakPolarHBondContact O-CB 3.33Å; I19-L23 PolarHBondContact O-N 3.04Å; L20-L23 PolarHBondContact O-N 3.36Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 3.35Å; L23-I26 PolarHBondContact O-N 3.5Å; L23-I27 HydrophobicContact CD2-CD1 3.57Å; L23-I27 HydrophobicContact CG-CD1 4.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.3Å; L23-I27 PolarHBondContact O-N 3.02Å |
| 24 | I | 96 | Very high | 93.9 | Very high | 91 Ų | 91 | 107.4 Ų | 107.4 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 174.3 | -67.9 | 164.1 | 0 | 0 | 0 | 110.6 | L20 L21 L22 I26 I27 T28 | L20-I24 HydrophobicContact CD2-CD1 4.37Å; L20-I24 HydrophobicContact CG-CD1 4.43Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 2.95Å; L21-I24 PolarHBondContact O-N 3.34Å; L22-I24 PolarHBondContact O-N 2.96Å; I24-I26 VanDerWaalsContact C-N 3.31Å; I24-I26 PolarHBondContact O-N 3.47Å; I24-I27 PolarHBondContact O-N 3Å; I24-T28 PolarHBondContact O-N 3.28Å; I24-T28 PolarHBondContact O-OG1 3.37Å |
| 25 | I | 95.7 | Very high | 93.8 | Very high | 80 Ų | 80 | 105.1 Ų | 105.1 | 41% | 0.41 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 178.7 | -68.4 | 165.1 | 0 | 0 | 0 | 111.1 | L21 L22 T28 L29 | L21-I25 HydrophobicContact CD2-CD1 3.81Å; L21-I25 HydrophobicContact CG-CD1 4.46Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.07Å; L21-I25 VanDerWaalsContact O-N 3.07Å; L22-I25 PolarHBondContact O-N 3.37Å; I25-T28 PolarHBondContact O-N 3.16Å; I25-L29 HydrophobicContact CG2-CD1 3.87Å; I25-L29 HydrophobicContact CG2-CG 4.45Å; I25-L29 WeakPolarHBondContact O-CB 3.32Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.29Å |
| 26 | I | 95.7 | Very high | 93.6 | Very high | 92 Ų | 92 | 102.5 Ų | 102.5 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 177.8 | -68.2 | 165.8 | 0 | 0 | 0 | 110.7 | L22 L23 I24 T28 L29 V30 | L22-I26 HydrophobicContact CG-CD1 4.12Å; L22-I26 WeakPolarHBondContact O-CG1 3.24Å; L22-I26 PolarHBondContact O-N 2.95Å; L23-I26 PolarHBondContact O-N 3.5Å; I24-I26 VanDerWaalsContact C-N 3.31Å; I24-I26 PolarHBondContact O-N 3.47Å; I26-T28 PolarHBondContact O-N 3.37Å; I26-L29 PolarHBondContact O-N 2.92Å; I26-V30 HydrophobicContact CG2-CG2 4.42Å; I26-V30 VanDerWaalsContact O-CG2 3.3Å; I26-V30 WeakPolarHBondContact O-CG2 3.34Å; I26-V30 PolarHBondContact O-N 3.48Å |
| 27 | I | 95.3 | Very high | 93.4 | Very high | 83 Ų | 83 | 96.8 Ų | 96.8 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 178.9 | -68.8 | 167.9 | 0 | 0 | 0 | 110.5 | L23 I24 L29 V30 E31 | L23-I27 HydrophobicContact CD2-CD1 3.57Å; L23-I27 HydrophobicContact CG-CD1 4.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.3Å; L23-I27 PolarHBondContact O-N 3.02Å; I24-I27 PolarHBondContact O-N 3Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-L29 PolarHBondContact O-N 3.42Å; I27-V30 PolarHBondContact O-N 3.48Å; I27-V30 VanDerWaalsContact O-N 3.16Å; I27-E31 PolarHBondContact O-N 3Å |
| 28 | T | 95.6 | Very high | 92.8 | Very high | 79 Ų | 79 | 99.5 Ų | 99.5 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | I24 I25 I26 E31 A32 | I24-T28 PolarHBondContact O-N 3.28Å; I24-T28 PolarHBondContact O-OG1 3.37Å; I25-T28 PolarHBondContact O-N 3.16Å; I26-T28 PolarHBondContact O-N 3.37Å; T28-E31 PolarHBondContact O-N 2.9Å; T28-A32 WeakPolarHBondContact O-CB 3.43Å; T28-A32 PolarHBondContact O-N 2.96Å |
| 29 | L | 94.7 | Very high | 92 | Very high | 116 Ų | 116 | 103 Ų | 103 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 175.5 | -76.2 | 168.7 | 0 | 0 | 0 | 112.2 | I25 I26 I27 A32 Y33 | I25-L29 HydrophobicContact CG2-CD1 3.87Å; I25-L29 HydrophobicContact CG2-CG 4.45Å; I25-L29 WeakPolarHBondContact O-CB 3.32Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.29Å; I26-L29 PolarHBondContact O-N 2.92Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-L29 PolarHBondContact O-N 3.42Å; L29-A32 PolarHBondContact O-N 2.91Å; L29-Y33 WeakPolarHBondContact O-CB 3.33Å; L29-Y33 PolarHBondContact O-N 2.76Å |
| 30 | V | 95.4 | Very high | 91.2 | Very high | 78 Ų | 78 | 107.1 Ų | 107.1 | 47% | 0.473 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | I26 I27 Y33 L34 | I26-V30 HydrophobicContact CG2-CG2 4.42Å; I26-V30 VanDerWaalsContact O-CG2 3.3Å; I26-V30 WeakPolarHBondContact O-CG2 3.34Å; I26-V30 PolarHBondContact O-N 3.48Å; I27-V30 PolarHBondContact O-N 3.48Å; I27-V30 VanDerWaalsContact O-N 3.16Å; V30-Y33 PolarHBondContact O-N 2.97Å; V30-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 HydrophobicContact CG1-CG 4.4Å; V30-L34 WeakPolarHBondContact O-CG 3.4Å; V30-L34 PolarHBondContact O-N 3.5Å |
| 31 | E | 92.9 | Very high | 90.4 | Very high | 113 Ų | 113 | 106.7 Ų | 106.7 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.6 | -73.1 | -177 | 163 | 0 | 0 | 111.9 | I27 T28 Y33 L34 I35 | I27-E31 PolarHBondContact O-N 3Å; T28-E31 PolarHBondContact O-N 2.9Å; E31-Y33 VanDerWaalsContact C-N 3.28Å; E31-Y33 PolarHBondContact O-N 3.2Å; E31-L34 PolarHBondContact O-N 2.99Å; E31-I35 VanDerWaalsContact O-CG1 3.31Å; E31-I35 WeakPolarHBondContact O-CG1 3.41Å; E31-I35 PolarHBondContact O-N 3.43Å |
| 32 | A | 92.3 | Very high | 89.2 | Confident | 50 Ų | 50 | 103.2 Ų | 103.2 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T28 L29 T36 | T28-A32 WeakPolarHBondContact O-CB 3.43Å; T28-A32 PolarHBondContact O-N 2.96Å; L29-A32 PolarHBondContact O-N 2.91Å; A32-T36 WeakPolarHBondContact O-CB 3.31Å; A32-T36 PolarHBondContact O-N 3.36Å; A32-T36 PolarHBondContact O-OG1 3.28Å |
| 33 | Y | 92.2 | Very high | 87.9 | Confident | 155 Ų | 155 | 100.3 Ų | 100.3 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 175.2 | -178.1 | -97.6 | 0 | 0 | 0 | 111.8 | L29 V30 E31 T36 L37 | L29-Y33 WeakPolarHBondContact O-CB 3.33Å; L29-Y33 PolarHBondContact O-N 2.76Å; V30-Y33 PolarHBondContact O-N 2.97Å; E31-Y33 VanDerWaalsContact C-N 3.28Å; E31-Y33 PolarHBondContact O-N 3.2Å; Y33-T36 PolarHBondContact O-N 3.03Å; Y33-L37 HydrophobicContact CE1-CD2 4.35Å; Y33-L37 WeakPolarHBondContact O-CB 3.48Å; Y33-L37 PolarHBondContact O-N 3.27Å |
| 34 | L | 91.2 | Very high | 86.3 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.2 | -72.5 | 172 | 0 | 0 | 0 | 112.3 | V30 E31 L37 H38 | V30-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 HydrophobicContact CG1-CG 4.4Å; V30-L34 WeakPolarHBondContact O-CG 3.4Å; V30-L34 PolarHBondContact O-N 3.5Å; E31-L34 PolarHBondContact O-N 2.99Å; L34-L37 PolarHBondContact O-N 3.42Å; L34-H38 VanDerWaalsContact O-CB 3.31Å; L34-H38 WeakPolarHBondContact O-CB 3.37Å; L34-H38 PolarHBondContact O-N 3Å |
| 35 | I | 87.9 | Confident | 84.9 | Confident | 120 Ų | 120 | 97.1 Ų | 97.1 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 175.2 | -68.3 | 165.2 | 0 | 0 | 0 | 110.4 | E31 L37 H38 W39 | E31-I35 VanDerWaalsContact O-CG1 3.31Å; E31-I35 WeakPolarHBondContact O-CG1 3.41Å; E31-I35 PolarHBondContact O-N 3.43Å; I35-L37 VanDerWaalsContact C-N 3.35Å; I35-L37 PolarHBondContact O-N 2.76Å; I35-H38 PolarHBondContact O-N 3.2Å; I35-W39 PolarHBondContact O-N 3.3Å |
| 36 | T | 87 | Confident | 83.4 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 178.4 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | A32 Y33 W39 R40 | A32-T36 WeakPolarHBondContact O-CB 3.31Å; A32-T36 PolarHBondContact O-N 3.36Å; A32-T36 PolarHBondContact O-OG1 3.28Å; Y33-T36 PolarHBondContact O-N 3.03Å; T36-W39 PolarHBondContact O-N 2.91Å; T36-R40 WeakPolarHBondContact O-CB 3.06Å; T36-R40 PolarHBondContact O-N 2.9Å |
| 37 | L | 85.9 | Confident | 81.9 | Confident | 69 Ų | 69 | 96.5 Ų | 96.5 | 36% | 0.361 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.9 | -175.8 | 65.2 | 0 | 0 | 0 | 111.1 | Y33 L34 I35 R40 I41 | Y33-L37 HydrophobicContact CE1-CD2 4.35Å; Y33-L37 WeakPolarHBondContact O-CB 3.48Å; Y33-L37 PolarHBondContact O-N 3.27Å; L34-L37 PolarHBondContact O-N 3.42Å; I35-L37 VanDerWaalsContact C-N 3.35Å; I35-L37 PolarHBondContact O-N 2.76Å; L37-R40 PolarHBondContact O-N 3.29Å; L37-I41 HydrophobicContact CD1-CD1 3.94Å; L37-I41 HydrophobicContact CD1-CG1 4.44Å; L37-I41 HydrophobicContact CG-CD1 3.88Å; L37-I41 WeakPolarHBondContact O-CG1 3.31Å; L37-I41 PolarHBondContact O-N 2.82Å |
| 38 | H | 81 | Confident | 80.4 | Confident | 137 Ų | 137 | 97.5 Ų | 97.5 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 176.6 | -167.3 | 77.3 | 0 | 0 | 0 | 110.9 | L34 I35 R40 I41 A42 | L34-H38 VanDerWaalsContact O-CB 3.31Å; L34-H38 WeakPolarHBondContact O-CB 3.37Å; L34-H38 PolarHBondContact O-N 3Å; I35-H38 PolarHBondContact O-N 3.2Å; H38-R40 VanDerWaalsContact C-N 3.32Å; H38-R40 PolarHBondContact O-N 3.37Å; H38-I41 PolarHBondContact O-N 2.84Å; H38-A42 WeakPolarHBondContact O-CA 3.33Å; H38-A42 WeakPolarHBondContact O-CB 3.19Å; H38-A42 PolarHBondContact O-N 3.48Å |
| 39 | W | 74.4 | Confident | 79 | Confident | 191 Ų | 191 | 99.6 Ų | 99.6 | 72% | 0.723 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.3 | -43.7 | 173.8 | -170.6 | -103.2 | 0 | 0 | 0 | 111.6 | I35 T36 I41 V43 | I35-W39 PolarHBondContact O-N 3.3Å; T36-W39 PolarHBondContact O-N 2.91Å; W39-I41 VanDerWaalsContact C-N 3.28Å; W39-I41 PolarHBondContact O-N 3.29Å; W39-V43 HydrophobicContact CD2-CG2 3.29Å; W39-V43 HydrophobicContact CE3-CG2 3.59Å; W39-V43 HydrophobicContact CG-CG2 3.77Å; W39-V43 HydrophobicContact CH2-CG2 3.87Å; W39-V43 HydrophobicContact CZ2-CG2 3.61Å; W39-V43 HydrophobicContact CZ3-CG2 3.87Å; W39-V43 WeakPolarHBondContact O-CB 3.19Å; W39-V43 WeakPolarHBondContact O-CG2 3.3Å; W39-V43 PolarHBondContact O-N 3.11Å |
| 40 | R | 78.9 | Confident | 77.7 | Confident | 201 Ų | 201 | 100.1 Ų | 100.1 | 76% | 0.758 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -25.3 | -179.6 | -171.4 | 166.4 | 178.3 | 147 | -1 | 114 | T36 L37 H38 P44 | T36-R40 WeakPolarHBondContact O-CB 3.06Å; T36-R40 PolarHBondContact O-N 2.9Å; L37-R40 PolarHBondContact O-N 3.29Å; H38-R40 VanDerWaalsContact C-N 3.32Å; H38-R40 PolarHBondContact O-N 3.37Å; R40-P44 WeakPolarHBondContact O-CD 3.47Å; R40-P44 WeakPolarHBondContact O-CG 3.12Å |
| 41 | I | 77.5 | Confident | 76.2 | Confident | 99 Ų | 99 | 99.9 Ų | 99.9 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -95.3 | -46.3 | 177.6 | -62.2 | 167.8 | 0 | 0 | 0 | 110.7 | L37 H38 W39 T45 | L37-I41 HydrophobicContact CD1-CD1 3.94Å; L37-I41 HydrophobicContact CD1-CG1 4.44Å; L37-I41 HydrophobicContact CG-CD1 3.88Å; L37-I41 WeakPolarHBondContact O-CG1 3.31Å; L37-I41 PolarHBondContact O-N 2.82Å; H38-I41 PolarHBondContact O-N 2.84Å; W39-I41 VanDerWaalsContact C-N 3.28Å; W39-I41 PolarHBondContact O-N 3.29Å; I41-T45 WeakPolarHBondContact O-CB 3.28Å; I41-T45 VanDerWaalsContact O-CG2 3.28Å; I41-T45 WeakPolarHBondContact O-CG2 3.38Å; I41-T45 PolarHBondContact O-N 3.19Å; I41-T45 PolarHBondContact O-OG1 2.94Å |
| 42 | A | 72.1 | Confident | 75.1 | Confident | 26 Ų | 26 | 97.5 Ų | 97.5 | 22% | 0.215 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -70.7 | -37.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H38 T45 V46 | H38-A42 WeakPolarHBondContact O-CA 3.33Å; H38-A42 WeakPolarHBondContact O-CB 3.19Å; H38-A42 PolarHBondContact O-N 3.48Å; A42-T45 VanDerWaalsContact CA-OG1 3.3Å; A42-T45 WeakPolarHBondContact CA-OG1 3.33Å; A42-T45 PolarHBondContact O-OG1 2.97Å; A42-V46 WeakPolarHBondContact O-CB 3.12Å; A42-V46 WeakPolarHBondContact O-CG2 3.18Å; A42-V46 PolarHBondContact O-N 2.75Å |
| 43 | V | 68 | Low | 74 | Confident | 43 Ų | 43 | 98 Ų | 98 | 26% | 0.261 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -56.5 | -179.9 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | W39 T45 V46 T47 | W39-V43 HydrophobicContact CD2-CG2 3.29Å; W39-V43 HydrophobicContact CE3-CG2 3.59Å; W39-V43 HydrophobicContact CG-CG2 3.77Å; W39-V43 HydrophobicContact CH2-CG2 3.87Å; W39-V43 HydrophobicContact CZ2-CG2 3.61Å; W39-V43 HydrophobicContact CZ3-CG2 3.87Å; W39-V43 WeakPolarHBondContact O-CB 3.19Å; W39-V43 WeakPolarHBondContact O-CG2 3.3Å; W39-V43 PolarHBondContact O-N 3.11Å; V43-T45 VanDerWaalsContact C-N 3.28Å; V43-T45 PolarHBondContact O-N 3.24Å; V43-V46 PolarHBondContact O-N 2.98Å; V43-T47 HydrophobicContact CG1-CG2 4.05Å; V43-T47 WeakPolarHBondContact O-CB 3.35Å; V43-T47 WeakPolarHBondContact O-CG2 2.97Å; V43-T47 PolarHBondContact O-N 3.31Å; V43-T47 PolarHBondContact O-OG1 3.45Å |
| 44 | P | 61.9 | Low | 72.9 | Confident | 50 Ų | 50 | 94.1 Ų | 94.1 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 179.8 | 19.6 | -28.9 | 0 | 0 | 0 | 111.5 | R40 V46 T47 D48 | R40-P44 WeakPolarHBondContact O-CD 3.47Å; R40-P44 WeakPolarHBondContact O-CG 3.12Å; P44-V46 PolarHBondContact O-N 3.29Å; P44-T47 VanDerWaalsContact CA-OG1 3.27Å; P44-T47 WeakPolarHBondContact CA-OG1 3.3Å; P44-T47 PolarHBondContact O-N 2.94Å; P44-T47 PolarHBondContact O-OG1 2.89Å; P44-T47 VanDerWaalsContact O-OG1 3.07Å; P44-D48 WeakPolarHBondContact O-CB 3.12Å; P44-D48 PolarHBondContact O-N 3.43Å |
| 45 | T | 67.7 | Low | 71.9 | Confident | 68 Ų | 68 | 91.2 Ų | 91.2 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 178 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | I41 A42 V43 I49 | I41-T45 WeakPolarHBondContact O-CB 3.28Å; I41-T45 VanDerWaalsContact O-CG2 3.28Å; I41-T45 WeakPolarHBondContact O-CG2 3.38Å; I41-T45 PolarHBondContact O-N 3.19Å; I41-T45 PolarHBondContact O-OG1 2.94Å; A42-T45 VanDerWaalsContact CA-OG1 3.3Å; A42-T45 WeakPolarHBondContact CA-OG1 3.33Å; A42-T45 PolarHBondContact O-OG1 2.97Å; V43-T45 VanDerWaalsContact C-N 3.28Å; V43-T45 PolarHBondContact O-N 3.24Å; T45-I49 WeakPolarHBondContact O-CB 3.36Å; T45-I49 VanDerWaalsContact O-CD1 3.3Å; T45-I49 WeakPolarHBondContact O-CD1 3.12Å; T45-I49 WeakPolarHBondContact O-CG1 3.15Å; T45-I49 PolarHBondContact O-N 2.82Å |
| 46 | V | 63.8 | Low | 71.1 | Confident | 97 Ų | 97 | 90.7 Ų | 90.7 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.6 | -40.6 | 177.1 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | A42 V43 P44 F50 | A42-V46 WeakPolarHBondContact O-CB 3.12Å; A42-V46 WeakPolarHBondContact O-CG2 3.18Å; A42-V46 PolarHBondContact O-N 2.75Å; V43-V46 PolarHBondContact O-N 2.98Å; P44-V46 PolarHBondContact O-N 3.29Å; V46-F50 WeakPolarHBondContact O-CB 3.45Å; V46-F50 PolarHBondContact O-N 3.31Å |
| 47 | T | 64.2 | Low | 70.3 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 39% | 0.387 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.3 | -35.6 | 178.9 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | V43 P44 S51 | V43-T47 HydrophobicContact CG1-CG2 4.05Å; V43-T47 WeakPolarHBondContact O-CB 3.35Å; V43-T47 WeakPolarHBondContact O-CG2 2.97Å; V43-T47 PolarHBondContact O-N 3.31Å; V43-T47 PolarHBondContact O-OG1 3.45Å; P44-T47 VanDerWaalsContact CA-OG1 3.27Å; P44-T47 WeakPolarHBondContact CA-OG1 3.3Å; P44-T47 PolarHBondContact O-N 2.94Å; P44-T47 PolarHBondContact O-OG1 2.89Å; P44-T47 VanDerWaalsContact O-OG1 3.07Å; T47-S51 WeakPolarHBondContact O-CB 3.47Å; T47-S51 PolarHBondContact O-N 2.68Å; T47-S51 PolarHBondContact O-OG 3.29Å |
| 48 | D | 63.8 | Low | 69.6 | Low | 104 Ų | 104 | 87.8 Ų | 87.8 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70.5 | -44.5 | 177.7 | -69.3 | -16.9 | 0 | 0 | 0 | 110.1 | P44 S51 A52 | P44-D48 WeakPolarHBondContact O-CB 3.12Å; P44-D48 PolarHBondContact O-N 3.43Å; D48-S51 PolarHBondContact O-N 3.1Å; D48-A52 WeakPolarHBondContact O-CB 3.39Å; D48-A52 PolarHBondContact O-N 3.24Å |
| 49 | I | 66.1 | Low | 69.3 | Low | 122 Ų | 122 | 84 Ų | 84 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 174.8 | -68.5 | 165.6 | 0 | 0 | 0 | 110.4 | T45 A52 S53 | T45-I49 WeakPolarHBondContact O-CB 3.36Å; T45-I49 VanDerWaalsContact O-CD1 3.3Å; T45-I49 WeakPolarHBondContact O-CD1 3.12Å; T45-I49 WeakPolarHBondContact O-CG1 3.15Å; T45-I49 PolarHBondContact O-N 2.82Å; I49-A52 PolarHBondContact O-N 2.96Å; I49-S53 WeakPolarHBondContact O-CB 3.18Å; I49-S53 PolarHBondContact O-N 3.09Å; I49-S53 PolarHBondContact O-OG 3.44Å |
| 50 | F | 66.5 | Low | 69.2 | Low | 127 Ų | 127 | 79.6 Ų | 79.6 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 179.1 | -172.2 | -107.6 | 0 | 0 | 0 | 111.5 | V46 A52 S53 I54 | V46-F50 WeakPolarHBondContact O-CB 3.45Å; V46-F50 PolarHBondContact O-N 3.31Å; F50-A52 PolarHBondContact O-N 3Å; F50-S53 PolarHBondContact O-N 3.22Å; F50-S53 PolarHBondContact O-OG 3.23Å; F50-I54 HydrophobicContact CD1-CD1 3.72Å; F50-I54 HydrophobicContact CE1-CD1 3.21Å; F50-I54 HydrophobicContact CE1-CG1 4.35Å; F50-I54 HydrophobicContact CE2-CD1 4.11Å; F50-I54 HydrophobicContact CG-CD1 4.38Å; F50-I54 HydrophobicContact CZ-CD1 3.45Å; F50-I54 VanDerWaalsContact CZ-CD1 3.45Å; F50-I54 HydrophobicContact CZ-CG1 4.39Å; F50-I54 WeakPolarHBondContact O-CG1 3.27Å; F50-I54 PolarHBondContact O-N 2.88Å |
| 51 | S | 65.6 | Low | 68.9 | Low | 73 Ų | 73 | 74.2 Ų | 74.2 | 51% | 0.51 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | T47 D48 G55 | T47-S51 WeakPolarHBondContact O-CB 3.47Å; T47-S51 PolarHBondContact O-N 2.68Å; T47-S51 PolarHBondContact O-OG 3.29Å; D48-S51 PolarHBondContact O-N 3.1Å; S51-G55 WeakPolarHBondContact O-CA 3.47Å; S51-G55 PolarHBondContact O-N 2.96Å |
| 52 | A | 69.2 | Low | 69 | Low | 64 Ų | 64 | 74.7 Ų | 74.7 | 53% | 0.529 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D48 I49 F50 G55 L56 | D48-A52 WeakPolarHBondContact O-CB 3.39Å; D48-A52 PolarHBondContact O-N 3.24Å; I49-A52 PolarHBondContact O-N 2.96Å; F50-A52 PolarHBondContact O-N 3Å; A52-G55 PolarHBondContact O-N 3.4Å; A52-L56 VanDerWaalsContact O-CB 3.23Å; A52-L56 WeakPolarHBondContact O-CB 3.48Å; A52-L56 PolarHBondContact O-N 2.74Å |
| 53 | S | 69.7 | Low | 69.5 | Low | 61 Ų | 61 | 77.5 Ų | 77.5 | 43% | 0.427 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 178.2 | 72.6 | 0 | 0 | 0 | 0 | 112.7 | I49 F50 S57 | I49-S53 WeakPolarHBondContact O-CB 3.18Å; I49-S53 PolarHBondContact O-N 3.09Å; I49-S53 PolarHBondContact O-OG 3.44Å; F50-S53 PolarHBondContact O-N 3.22Å; F50-S53 PolarHBondContact O-OG 3.23Å; S53-S57 WeakPolarHBondContact O-CB 3.41Å; S53-S57 PolarHBondContact O-N 3.02Å; S53-S57 VanDerWaalsContact O-N 3.09Å |
| 54 | I | 68.9 | Low | 69.9 | Low | 72 Ų | 72 | 77.8 Ų | 77.8 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 174.5 | -68.6 | 178.6 | 0 | 0 | 0 | 110.4 | F50 L56 S57 L58 | F50-I54 HydrophobicContact CD1-CD1 3.72Å; F50-I54 HydrophobicContact CE1-CD1 3.21Å; F50-I54 HydrophobicContact CE1-CG1 4.35Å; F50-I54 HydrophobicContact CE2-CD1 4.11Å; F50-I54 HydrophobicContact CG-CD1 4.38Å; F50-I54 HydrophobicContact CZ-CD1 3.45Å; F50-I54 VanDerWaalsContact CZ-CD1 3.45Å; F50-I54 HydrophobicContact CZ-CG1 4.39Å; F50-I54 WeakPolarHBondContact O-CG1 3.27Å; F50-I54 PolarHBondContact O-N 2.88Å; I54-L56 PolarHBondContact O-N 3.38Å; I54-S57 PolarHBondContact O-N 2.81Å; I54-L58 WeakPolarHBondContact O-CB 3.23Å; I54-L58 PolarHBondContact O-N 2.75Å |
| 55 | G | 69.7 | Low | 70.5 | Confident | 37 Ų | 37 | 78.8 Ų | 78.8 | 38% | 0.381 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | S51 A52 L58 A59 | S51-G55 WeakPolarHBondContact O-CA 3.47Å; S51-G55 PolarHBondContact O-N 2.96Å; A52-G55 PolarHBondContact O-N 3.4Å; G55-L58 PolarHBondContact O-N 3.07Å; G55-A59 VanDerWaalsContact O-CB 3.28Å; G55-A59 WeakPolarHBondContact O-CB 3.41Å; G55-A59 PolarHBondContact O-N 3.33Å |
| 56 | L | 70.3 | Confident | 70.8 | Confident | 109 Ų | 109 | 81.4 Ų | 81.4 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.2 | -49.9 | 174.9 | -173.8 | 68.3 | 0 | 0 | 0 | 110.7 | A52 I54 L58 A59 E60 | A52-L56 VanDerWaalsContact O-CB 3.23Å; A52-L56 WeakPolarHBondContact O-CB 3.48Å; A52-L56 PolarHBondContact O-N 2.74Å; I54-L56 PolarHBondContact O-N 3.38Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 PolarHBondContact O-N 2.9Å; L56-A59 PolarHBondContact O-N 3.25Å; L56-E60 WeakPolarHBondContact O-CG 3.29Å; L56-E60 PolarHBondContact O-N 3.46Å |
| 57 | S | 70.4 | Confident | 71 | Confident | 11 Ų | 11 | 84.1 Ų | 84.1 | 8% | 0.077 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.2 | -37.6 | -180 | -163.5 | 0 | 0 | 0 | 0 | 112.1 | S53 I54 E60 Y61 F71 F73 | S53-S57 WeakPolarHBondContact O-CB 3.41Å; S53-S57 PolarHBondContact O-N 3.02Å; S53-S57 VanDerWaalsContact O-N 3.09Å; I54-S57 PolarHBondContact O-N 2.81Å; S57-E60 PolarHBondContact O-N 3.45Å; S57-Y61 PolarHBondContact O-N 3.34Å; S57-F71 WeakPolarHBondContact O-CD1 3.28Å; S57-F73 WeakPolarHBondContact O-CE1 3.48Å; S57-F73 VanDerWaalsContact OG-CD1 3.23Å; S57-F73 WeakPolarHBondContact OG-CD1 3.25Å |
| 58 | L | 71.2 | Confident | 70.9 | Confident | 88 Ų | 88 | 82.4 Ų | 82.4 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 174.8 | -176.5 | 64.1 | 0 | 0 | 0 | 111.9 | I54 G55 L56 E60 Y61 V62 F73 | I54-L58 WeakPolarHBondContact O-CB 3.23Å; I54-L58 PolarHBondContact O-N 2.75Å; G55-L58 PolarHBondContact O-N 3.07Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 PolarHBondContact O-N 2.9Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-Y61 PolarHBondContact O-N 2.97Å; L58-V62 WeakPolarHBondContact O-CG2 3.36Å; L58-V62 PolarHBondContact O-N 3.39Å; L58-F73 HydrophobicContact CD1-CZ 4.48Å |
| 59 | A | 74.6 | Confident | 71 | Confident | 59 Ų | 59 | 82.2 Ų | 82.2 | 49% | 0.488 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G55 L56 V62 A63 | G55-A59 VanDerWaalsContact O-CB 3.28Å; G55-A59 WeakPolarHBondContact O-CB 3.41Å; G55-A59 PolarHBondContact O-N 3.33Å; L56-A59 PolarHBondContact O-N 3.25Å; A59-V62 PolarHBondContact O-N 3.32Å; A59-A63 WeakPolarHBondContact O-CB 3.35Å; A59-A63 PolarHBondContact O-N 2.71Å |
| 60 | E | 72.9 | Confident | 71.1 | Confident | 98 Ų | 98 | 82 Ų | 82 | 46% | 0.458 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 174.5 | -65.6 | 173.8 | 169.8 | 0 | 0 | 112.1 | L56 S57 L58 A63 D64 F71 | L56-E60 WeakPolarHBondContact O-CG 3.29Å; L56-E60 PolarHBondContact O-N 3.46Å; S57-E60 PolarHBondContact O-N 3.45Å; L58-E60 VanDerWaalsContact C-N 3.32Å; E60-A63 PolarHBondContact O-N 2.83Å; E60-D64 PolarHBondContact O-N 3.46Å; E60-F71 VanDerWaalsContact C-CZ 3.46Å; E60-F71 HydrophobicContact CB-CD1 4.16Å; E60-F71 HydrophobicContact CB-CE1 3.35Å; E60-F71 HydrophobicContact CB-CZ 4.11Å; E60-F71 WeakPolarHBondContact O-CZ 3.39Å |
| 61 | Y | 72.6 | Confident | 71 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 34% | 0.341 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 174.2 | 175.4 | -98.8 | 0 | 0 | 0 | 113.1 | S57 L58 A63 D64 P65 A68 F71 F73 L74 | S57-Y61 PolarHBondContact O-N 3.34Å; L58-Y61 PolarHBondContact O-N 2.97Å; Y61-A63 VanDerWaalsContact C-N 3.35Å; Y61-D64 CarbonylContact O-C 3.42Å; Y61-P65 HydrophobicContact CE2-CB 4.37Å; Y61-P65 VanDerWaalsContact O-CA 3.23Å; Y61-P65 WeakPolarHBondContact O-CA 3.23Å; Y61-P65 VanDerWaalsContact O-N 3.1Å; Y61-A68 HydrophobicContact CE2-CB 4.16Å; Y61-F71 VanDerWaalsContact CA-CE2 3.45Å; Y61-F71 AromaticContact CD2-CD2 3.53Å; Y61-F71 HydrophobicContact CD2-CD2 3.53Å; Y61-F71 AromaticContact CD2-CE2 3.56Å; Y61-F71 HydrophobicContact CD2-CE2 3.56Å; Y61-F71 HydrophobicContact CG-CD2 4.12Å; Y61-F71 HydrophobicContact CG-CE2 4.09Å; Y61-F73 HydrophobicContact CD1-CZ 4.22Å; Y61-F73 HydrophobicContact CD2-CZ 4.08Å; Y61-F73 AromaticContact CG-CZ 3.7Å; Y61-F73 HydrophobicContact CG-CZ 3.7Å; Y61-L74 HydrophobicContact CD2-CD1 4.12Å; Y61-L74 HydrophobicContact CE2-CD1 3.99Å |
| 62 | V | 80.7 | Confident | 71.1 | Confident | 109 Ų | 109 | 80.6 Ų | 80.6 | 66% | 0.661 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.6 | -35.9 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 111 | L58 A59 | L58-V62 WeakPolarHBondContact O-CG2 3.36Å; L58-V62 PolarHBondContact O-N 3.39Å; A59-V62 PolarHBondContact O-N 3.32Å |
| 63 | A | 82.6 | Confident | 71 | Confident | 86 Ų | 86 | 81 Ų | 81 | 71% | 0.711 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71.2 | -40.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A59 E60 Y61 | A59-A63 WeakPolarHBondContact O-CB 3.35Å; A59-A63 PolarHBondContact O-N 2.71Å; E60-A63 PolarHBondContact O-N 2.83Å; Y61-A63 VanDerWaalsContact C-N 3.35Å |
| 64 | D | 76 | Confident | 70.7 | Confident | 48 Ų | 48 | 80.9 Ų | 80.9 | 26% | 0.257 | 45% | 0.446 | S | S | . | . | trans | -142.4 | 85.7 | 177.4 | -170.7 | -5.8 | 0 | 0 | 0 | 111.1 | E60 Y61 T66 R67 | E60-D64 PolarHBondContact O-N 3.46Å; Y61-D64 CarbonylContact O-C 3.42Å; D64-T66 PolarHBondContact O-N 3.01Å; D64-T66 VanDerWaalsContact O-N 3.15Å; D64-T66 WeakPolarHBondContact OD1-CB 3.47Å; D64-T66 PolarHBondContact OD1-N 3.09Å; D64-T66 VanDerWaalsContact OD1-N 3.17Å; D64-T66 PolarHBondContact OD1-OG1 3.34Å; D64-R67 HydrophobicContact CB-CG 4.45Å; D64-R67 PolarHBondContact O-N 3.21Å; D64-R67 VanDerWaalsContact OD2-CD 3.24Å; D64-R67 WeakPolarHBondContact OD2-CD 3.48Å; D64-R67 WeakPolarHBondContact OD2-CG 3.22Å; D64-R67 IonicContact OD2-CZ 2.68Å; D64-R67 IonicContact OD2-NE 3.94Å; D64-R67 PolarHBondContact OD2-NE 3.38Å | ||
| 65 | P | 73.7 | Confident | 70.4 | Confident | 71 Ų | 71 | 80.7 Ų | 80.7 | 46% | 0.461 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -67.4 | -15.1 | -178.9 | 26.5 | -34.2 | 0 | 0 | 0 | 112.6 | Y61 R67 A68 | Y61-P65 HydrophobicContact CE2-CB 4.37Å; Y61-P65 VanDerWaalsContact O-CA 3.23Å; Y61-P65 WeakPolarHBondContact O-CA 3.23Å; Y61-P65 VanDerWaalsContact O-N 3.1Å; P65-R67 PolarHBondContact O-N 2.95Å; P65-A68 WeakPolarHBondContact O-CB 3.24Å; P65-A68 PolarHBondContact O-N 3.5Å |
| 66 | T | 75.2 | Confident | 69.9 | Low | 123 Ų | 123 | 81.5 Ų | 81.5 | 76% | 0.755 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -72.5 | -18.2 | 178.3 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | D64 A68 | D64-T66 PolarHBondContact O-N 3.01Å; D64-T66 VanDerWaalsContact O-N 3.15Å; D64-T66 WeakPolarHBondContact OD1-CB 3.47Å; D64-T66 PolarHBondContact OD1-N 3.09Å; D64-T66 VanDerWaalsContact OD1-N 3.17Å; D64-T66 PolarHBondContact OD1-OG1 3.34Å; T66-A68 PolarHBondContact O-N 2.84Å |
| 67 | R | 67.3 | Low | 69.2 | Low | 154 Ų | 154 | 86.5 Ų | 86.5 | 58% | 0.581 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -88 | 19.3 | 174.3 | -66.4 | -179.3 | -174.7 | -150.3 | -6.8 | 113.6 | D64 P65 D69 N70 F71 | D64-R67 HydrophobicContact CB-CG 4.45Å; D64-R67 PolarHBondContact O-N 3.21Å; D64-R67 VanDerWaalsContact OD2-CD 3.24Å; D64-R67 WeakPolarHBondContact OD2-CD 3.48Å; D64-R67 WeakPolarHBondContact OD2-CG 3.22Å; D64-R67 IonicContact OD2-CZ 2.68Å; D64-R67 IonicContact OD2-NE 3.94Å; D64-R67 PolarHBondContact OD2-NE 3.38Å; P65-R67 PolarHBondContact O-N 2.95Å; R67-D69 PolarHBondContact O-N 3.42Å; R67-N70 WeakPolarHBondContact O-CB 3.45Å; R67-N70 PolarHBondContact O-N 3.49Å; R67-F71 VanDerWaalsContact C-CE2 3.42Å; R67-F71 HydrophobicContact CB-CE2 4.17Å; R67-F71 HydrophobicContact CB-CZ 4.02Å; R67-F71 VanDerWaalsContact O-CE2 3.29Å; R67-F71 WeakPolarHBondContact O-CE2 3.36Å |
| 68 | A | 63 | Low | 68.5 | Low | 27 Ų | 27 | 92.7 Ų | 92.7 | 22% | 0.223 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -42.5 | -41.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y61 P65 T66 N70 F71 L74 | Y61-A68 HydrophobicContact CE2-CB 4.16Å; P65-A68 WeakPolarHBondContact O-CB 3.24Å; P65-A68 PolarHBondContact O-N 3.5Å; T66-A68 PolarHBondContact O-N 2.84Å; A68-N70 PolarHBondContact O-N 2.8Å; A68-F71 VanDerWaalsContact CA-CD2 3.48Å; A68-F71 WeakPolarHBondContact O-CD2 3.23Å; A68-F71 PolarHBondContact O-N 2.89Å; A68-L74 HydrophobicContact CB-CD1 3.86Å; A68-L74 VanDerWaalsContact O-CD1 3.25Å; A68-L74 WeakPolarHBondContact O-CD1 3.35Å |
| 69 | D | 65 | Low | 67.7 | Low | 100 Ų | 100 | 96.6 Ų | 96.6 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -66.1 | -20.7 | -177.3 | -66.4 | -34.2 | 0 | 0 | 0 | 114.4 | R67 N75 R78 | R67-D69 PolarHBondContact O-N 3.42Å; D69-N75 PolarHBondContact O-ND2 3.17Å; D69-R78 IonicContact OD1-CZ 3.86Å; D69-R78 IonicContact OD1-NH1 2.89Å; D69-R78 PolarHBondContact OD1-NH1 3.48Å |
| 70 | N | 67.9 | Low | 66.8 | Low | 117 Ų | 117 | 104.4 Ų | 104.4 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -85.3 | -10.9 | 179.1 | -67.2 | -27.5 | 0 | 0 | 0 | 113.2 | R67 A68 H72 | R67-N70 WeakPolarHBondContact O-CB 3.45Å; R67-N70 PolarHBondContact O-N 3.49Å; A68-N70 PolarHBondContact O-N 2.8Å; N70-H72 PolarHBondContact O-N 2.79Å |
| 71 | F | 65.3 | Low | 66.1 | Low | 7 Ų | 7 | 103.5 Ų | 103.5 | 3% | 0.031 | 52% | 0.522 | C | S | . | . | trans | -82.7 | 121.3 | -176.9 | -57.4 | -59.5 | 0 | 0 | 0 | 111.9 | S57 E60 Y61 R67 A68 F73 L74 N75 | S57-F71 WeakPolarHBondContact O-CD1 3.28Å; E60-F71 VanDerWaalsContact C-CZ 3.46Å; E60-F71 HydrophobicContact CB-CD1 4.16Å; E60-F71 HydrophobicContact CB-CE1 3.35Å; E60-F71 HydrophobicContact CB-CZ 4.11Å; E60-F71 WeakPolarHBondContact O-CZ 3.39Å; Y61-F71 VanDerWaalsContact CA-CE2 3.45Å; Y61-F71 AromaticContact CD2-CD2 3.53Å; Y61-F71 HydrophobicContact CD2-CD2 3.53Å; Y61-F71 AromaticContact CD2-CE2 3.56Å; Y61-F71 HydrophobicContact CD2-CE2 3.56Å; Y61-F71 HydrophobicContact CG-CD2 4.12Å; Y61-F71 HydrophobicContact CG-CE2 4.09Å; R67-F71 VanDerWaalsContact C-CE2 3.42Å; R67-F71 HydrophobicContact CB-CE2 4.17Å; R67-F71 HydrophobicContact CB-CZ 4.02Å; R67-F71 VanDerWaalsContact O-CE2 3.29Å; R67-F71 WeakPolarHBondContact O-CE2 3.36Å; A68-F71 VanDerWaalsContact CA-CD2 3.48Å; A68-F71 WeakPolarHBondContact O-CD2 3.23Å; A68-F71 PolarHBondContact O-N 2.89Å; F71-F73 HydrophobicContact CB-CD1 3.73Å; F71-F73 HydrophobicContact CB-CE1 3.39Å; F71-F73 HydrophobicContact CB-CZ 3.97Å; F71-F73 HydrophobicContact CD1-CE1 4.32Å; F71-F73 HydrophobicContact CD2-CE1 4.42Å; F71-F73 HydrophobicContact CD2-CZ 4.48Å; F71-F73 AromaticContact CG-CE1 3.79Å; F71-F73 HydrophobicContact CG-CE1 3.79Å; F71-F73 HydrophobicContact CG-CZ 4.26Å; F71-F73 PolarHBondContact O-N 3.37Å; F71-F73 VanDerWaalsContact O-N 3.09Å; F71-L74 HydrophobicContact CB-CD1 4.45Å; F71-L74 HydrophobicContact CD2-CD1 4.31Å; F71-L74 PolarHBondContact O-N 3.19Å; F71-N75 PolarHBondContact O-N 2.59Å | ||
| 72 | H | 66.3 | Low | 65.3 | Low | 164 Ų | 164 | 104.5 Ų | 104.5 | 76% | 0.759 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.9 | -29.5 | -179.3 | -76.3 | -81.4 | 0 | 0 | 0 | 113.3 | N70 | N70-H72 PolarHBondContact O-N 2.79Å |
| 73 | F | 68.9 | Low | 64.1 | Low | 73 Ų | 73 | 108.3 Ų | 108.3 | 32% | 0.32 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.4 | -23.4 | 178.5 | 70.3 | -93.9 | 0 | 0 | 0 | 114.1 | S57 L58 Y61 F71 | S57-F73 WeakPolarHBondContact O-CE1 3.48Å; S57-F73 VanDerWaalsContact OG-CD1 3.23Å; S57-F73 WeakPolarHBondContact OG-CD1 3.25Å; L58-F73 HydrophobicContact CD1-CZ 4.48Å; Y61-F73 HydrophobicContact CD1-CZ 4.22Å; Y61-F73 HydrophobicContact CD2-CZ 4.08Å; Y61-F73 AromaticContact CG-CZ 3.7Å; Y61-F73 HydrophobicContact CG-CZ 3.7Å; F71-F73 HydrophobicContact CB-CD1 3.73Å; F71-F73 HydrophobicContact CB-CE1 3.39Å; F71-F73 HydrophobicContact CB-CZ 3.97Å; F71-F73 HydrophobicContact CD1-CE1 4.32Å; F71-F73 HydrophobicContact CD2-CE1 4.42Å; F71-F73 HydrophobicContact CD2-CZ 4.48Å; F71-F73 AromaticContact CG-CE1 3.79Å; F71-F73 HydrophobicContact CG-CE1 3.79Å; F71-F73 HydrophobicContact CG-CZ 4.26Å; F71-F73 PolarHBondContact O-N 3.37Å; F71-F73 VanDerWaalsContact O-N 3.09Å |
| 74 | L | 62.4 | Low | 62.9 | Low | 58 Ų | 58 | 109 Ų | 109 | 30% | 0.304 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -83.3 | -31.4 | 176.2 | -68.8 | 176.9 | 0 | 0 | 0 | 111.9 | Y61 A68 F71 G76 R77 R78 | Y61-L74 HydrophobicContact CD2-CD1 4.12Å; Y61-L74 HydrophobicContact CE2-CD1 3.99Å; A68-L74 HydrophobicContact CB-CD1 3.86Å; A68-L74 VanDerWaalsContact O-CD1 3.25Å; A68-L74 WeakPolarHBondContact O-CD1 3.35Å; F71-L74 HydrophobicContact CB-CD1 4.45Å; F71-L74 HydrophobicContact CD2-CD1 4.31Å; F71-L74 PolarHBondContact O-N 3.19Å; L74-G76 PolarHBondContact O-N 3.15Å; L74-R77 PolarHBondContact O-N 2.92Å; L74-R77 VanDerWaalsContact O-N 3.1Å; L74-R78 PolarHBondContact O-N 3.32Å |
| 75 | N | 62.1 | Low | 61.4 | Low | 68 Ų | 68 | 110.1 Ų | 110.1 | 36% | 0.364 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.1 | -24.1 | 178.7 | -74.6 | -33.5 | 0 | 0 | 0 | 113.6 | D69 F71 | D69-N75 PolarHBondContact O-ND2 3.17Å; F71-N75 PolarHBondContact O-N 2.59Å |
| 76 | G | 59.4 | Low | 59.7 | Low | 55 Ų | 55 | 116 Ų | 116 | 57% | 0.567 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.5 | -27.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L74 | L74-G76 PolarHBondContact O-N 3.15Å |
| 77 | R | 55.9 | Low | 59 | Low | 214 Ų | 214 | 115.6 Ų | 115.6 | 81% | 0.808 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -89.3 | -34.4 | -178.8 | -146.2 | 177.9 | -172.4 | 155.4 | 0.9 | 112.1 | L74 R80 | L74-R77 PolarHBondContact O-N 2.92Å; L74-R77 VanDerWaalsContact O-N 3.1Å; R77-R80 PolarHBondContact O-N 2.96Å |
| 78 | R | 55.2 | Low | 58.5 | Low | 140 Ų | 140 | 113.6 Ų | 113.6 | 53% | 0.528 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.9 | -33.5 | -176.4 | -141.5 | 179.9 | -172.4 | 169.5 | 4.6 | 113.5 | D69 L74 R80 S81 T82 | D69-R78 IonicContact OD1-CZ 3.86Å; D69-R78 IonicContact OD1-NH1 2.89Å; D69-R78 PolarHBondContact OD1-NH1 3.48Å; L74-R78 PolarHBondContact O-N 3.32Å; R78-R80 PolarHBondContact O-N 3.35Å; R78-R80 VanDerWaalsContact O-N 3.11Å; R78-S81 PolarHBondContact O-N 2.96Å; R78-S81 PolarHBondContact O-OG 3.24Å; R78-T82 PolarHBondContact O-OG1 2.87Å |
| 79 | K | 54.1 | Low | 58.3 | Low | 170 Ų | 170 | 118.4 Ų | 118.4 | 74% | 0.739 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -19.9 | 176.7 | -77.3 | -163.2 | 175.1 | -166.9 | 0 | 114.1 | ||
| 80 | R | 57 | Low | 57.9 | Low | 224 Ų | 224 | 119.5 Ų | 119.5 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -9.4 | -179.1 | -136.4 | 178.9 | -78.6 | 170.6 | -5.9 | 114.1 | R77 R78 | R77-R80 PolarHBondContact O-N 2.96Å; R78-R80 PolarHBondContact O-N 3.35Å; R78-R80 VanDerWaalsContact O-N 3.11Å |
| 81 | S | 57 | Low | 57.3 | Low | 79 Ų | 79 | 119.6 Ų | 119.6 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -3.1 | -175.8 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | R78 | R78-S81 PolarHBondContact O-N 2.96Å; R78-S81 PolarHBondContact O-OG 3.24Å |
| 82 | T | 56.9 | Low | 56.7 | Low | 108 Ų | 108 | 127.1 Ų | 127.1 | 66% | 0.663 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -116.9 | 2.1 | -177.7 | 21.9 | 0 | 0 | 0 | 0 | 115.4 | R78 | R78-T82 PolarHBondContact O-OG1 2.87Š|
| 83 | E | 56 | Low | 56 | Low | 188 Ų | 188 | 124.5 Ų | 124.5 | 88% | 0.879 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -98.3 | 2.9 | 169.4 | -82.7 | 178.7 | 169 | 0 | 0 | 113.5 | ||
| 84 | S | 55.6 | Low | 55.1 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -113.3 | 77.6 | 172.4 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 85 | G | 46 | Very low | 54.4 | Low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | trans | 173.3 | 74.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 86 | S | 38.2 | Very low | 53.7 | Low | 194 Ų | 194 | 140.4 Ų | 140.4 | 100% | 1.357 | 76% | 0.761 | S | S | * | * | trans | -60.6 | 0 | 156.8 | 58.7 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 86 of 86 residues in 46.4 ms
(Link to these results)