| 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 | 36.6 | Very low | 44.9 | Very low | 234 Ų | 234 | 123.5 Ų | 123.5 | 100% | 1.153 | 61% | 0.61 | S | S | * | * | 0 | 137.1 | 0 | -63.2 | -159.7 | -161.2 | 0 | 0 | 107.9 | I3 | M1-I3 PolarHBondContact O-N 3.25Š| |||
| 2 | S | 35.2 | Very low | 44.9 | Very low | 113 Ų | 113 | 118 Ų | 118 | 79% | 0.79 | 61% | 0.609 | S | S | * | * | trans | -56.5 | 118.3 | -167.3 | -76.7 | 0 | 0 | 0 | 0 | 113.3 | V4 | S2-V4 PolarHBondContact O-N 3.47Š| ||
| 3 | I | 44.9 | Very low | 45.1 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 49% | 0.492 | 63% | 0.63 | S | S | . | * | trans | -94.9 | 79.3 | 172.7 | -53.4 | 172.1 | 0 | 0 | 0 | 106.1 | M1 F5 Y50 I53 | M1-I3 PolarHBondContact O-N 3.25Å; I3-F5 VanDerWaalsContact C-N 3.29Å; I3-F5 PolarHBondContact O-N 3.37Å; I3-Y50 HydrophobicContact CD1-CE1 4.04Å; I3-Y50 WeakPolarHBondContact CD1-OH 3.35Å; I3-Y50 HydrophobicContact CG1-CE1 4.15Å; I3-Y50 HydrophobicContact CG2-CE1 4.49Å; I3-I53 HydrophobicContact CG2-CD1 3.88Å | ||
| 4 | V | 48.4 | Very low | 45.5 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | trans | -84.4 | 88.2 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | S2 V6 | S2-V4 PolarHBondContact O-N 3.47Å; V4-V6 PolarHBondContact O-N 3.33Å; V4-V6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | F | 50.3 | Low | 45.9 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 53% | 0.526 | 62% | 0.624 | S | S | . | * | trans | -32.7 | 109.5 | 143.7 | -164.3 | -94.6 | 0 | 0 | 0 | 110.4 | I3 P7 | I3-F5 VanDerWaalsContact C-N 3.29Å; I3-F5 PolarHBondContact O-N 3.37Å; F5-P7 WeakPolarHBondContact O-CD 3.41Å | ||
| 6 | V | 46.8 | Very low | 47 | Very low | 32 Ų | 32 | 121.2 Ų | 121.2 | 19% | 0.194 | 61% | 0.614 | C | S | . | * | trans | -54.6 | 109.3 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | V4 K8 L24 | V4-V6 PolarHBondContact O-N 3.33Å; V4-V6 VanDerWaalsContact O-N 3.16Å; V6-K8 PolarHBondContact O-N 3.32Å; V6-L24 HydrophobicContact CG2-CD2 4.03Å | ||
| 7 | P | 42.1 | Very low | 48.2 | Very low | 55 Ų | 55 | 119.5 Ų | 119.5 | 36% | 0.357 | 61% | 0.608 | S | S | . | * | trans | -62.6 | 130.6 | -178.4 | 23.9 | -31.8 | 0 | 0 | 0 | 107.7 | F5 K9 L10 | F5-P7 WeakPolarHBondContact O-CD 3.41Å; P7-K9 PolarHBondContact O-N 3.1Å; P7-L10 HydrophobicContact CG-CD1 3.85Å; P7-L10 HydrophobicContact CG-CG 4.06Å; P7-L10 PolarHBondContact O-N 3.08Å | ||
| 8 | K | 47 | Very low | 49.4 | Very low | 148 Ų | 148 | 121.4 Ų | 121.4 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.9 | -19.6 | 175.6 | -67.7 | 177.3 | 178.1 | 174.1 | 0 | 113 | V6 R11 | V6-K8 PolarHBondContact O-N 3.32Å; K8-R11 WeakPolarHBondContact O-CB 3.49Å; K8-R11 PolarHBondContact O-N 3.49Å |
| 9 | K | 41.8 | Very low | 50.8 | Low | 199 Ų | 199 | 121.1 Ų | 121.1 | 87% | 0.865 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -25.4 | 175.6 | -68 | -175.5 | 177 | -178.6 | 0 | 114.8 | P7 R11 | P7-K9 PolarHBondContact O-N 3.1Å; K9-R11 VanDerWaalsContact C-N 3.29Å |
| 10 | L | 47.8 | Very low | 52 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -17.2 | 173.5 | -73.3 | 171.6 | 0 | 0 | 0 | 112.6 | P7 G12 A14 | P7-L10 HydrophobicContact CG-CD1 3.85Å; P7-L10 HydrophobicContact CG-CG 4.06Å; P7-L10 PolarHBondContact O-N 3.08Å; L10-G12 PolarHBondContact O-N 2.91Å; L10-G12 VanDerWaalsContact O-N 3.09Å; L10-A14 HydrophobicContact CD2-CB 4.24Å |
| 11 | R | 52.8 | Low | 53.2 | Low | 188 Ų | 188 | 115.1 Ų | 115.1 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -3.4 | 178.7 | -136.6 | 177.1 | 91.2 | 127.8 | 1.9 | 114.2 | K8 K9 Y60 | K8-R11 WeakPolarHBondContact O-CB 3.49Å; K8-R11 PolarHBondContact O-N 3.49Å; K9-R11 VanDerWaalsContact C-N 3.29Å; R11-Y60 HydrophobicContact CG-CD2 4.41Å; R11-Y60 HydrophobicContact CG-CE2 3.98Å |
| 12 | G | 44.6 | Very low | 55.3 | Low | 58 Ų | 58 | 110 Ų | 110 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -54.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L10 | L10-G12 PolarHBondContact O-N 2.91Å; L10-G12 VanDerWaalsContact O-N 3.09Å |
| 13 | K | 48.1 | Very low | 57.3 | Low | 203 Ų | 203 | 112 Ų | 112 | 88% | 0.883 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -162.3 | 21.5 | -168.8 | -63.3 | -172.2 | 175.5 | 172.2 | 0 | 113.3 | K15 | K13-K15 PolarHBondContact O-N 3.07Å; K13-K15 VanDerWaalsContact O-N 3.1Å |
| 14 | A | 50.8 | Low | 59 | Low | 46 Ų | 46 | 108.3 Ų | 108.3 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | trans | -68.3 | 115.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | L10 I16 | L10-A14 HydrophobicContact CD2-CB 4.24Å; A14-I16 PolarHBondContact O-N 3.31Å | ||
| 15 | K | 51.9 | Low | 60.6 | Low | 182 Ų | 182 | 108.8 Ų | 108.8 | 79% | 0.791 | 53% | 0.527 | S | S | * | . | trans | -44.2 | 115.2 | 167.1 | -72.2 | -179.5 | 176 | -177.7 | 0 | 106.7 | K13 N17 | K13-K15 PolarHBondContact O-N 3.07Å; K13-K15 VanDerWaalsContact O-N 3.1Å; K15-N17 PolarHBondContact O-N 3.01Å | ||
| 16 | I | 62.7 | Low | 62.2 | Low | 92 Ų | 92 | 107.7 Ų | 107.7 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | trans | -67.2 | 90.7 | -179.4 | -67.5 | 131.3 | 0 | 0 | 0 | 106 | A14 I21 I64 | A14-I16 PolarHBondContact O-N 3.31Å; I16-I21 HydrophobicContact CG2-CD1 3.48Å; I16-I21 VanDerWaalsContact CG2-CD1 3.48Å; I16-I21 HydrophobicContact CG2-CG1 4.14Å; I16-I64 HydrophobicContact CB-CG2 4.13Å; I16-I64 HydrophobicContact CD1-CG2 3.9Å; I16-I64 HydrophobicContact CG1-CG1 4.34Å; I16-I64 HydrophobicContact CG1-CG2 3.69Å; I16-I64 HydrophobicContact CG2-CG2 3.36Å | ||
| 17 | N | 66.7 | Low | 63.8 | Low | 93 Ų | 93 | 110.2 Ų | 110.2 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | trans | -84.6 | 132.8 | 173.9 | -90 | 27.4 | 0 | 0 | 0 | 107.8 | K15 E19 T20 I21 | K15-N17 PolarHBondContact O-N 3.01Å; N17-E19 PolarHBondContact O-N 3.31Å; N17-T20 WeakPolarHBondContact O-CB 3.38Å; N17-T20 PolarHBondContact O-N 3.44Å; N17-I21 PolarHBondContact O-N 3.37Å | ||
| 18 | Q | 70.3 | Confident | 65.9 | Low | 154 Ų | 154 | 108.1 Ų | 108.1 | 72% | 0.72 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -49.6 | -33.6 | 172.9 | -90.5 | -178 | -4 | 0 | 0 | 112.6 | T20 I21 Q22 | Q18-T20 VanDerWaalsContact C-N 3.34Å; Q18-T20 PolarHBondContact O-N 3.39Å; Q18-I21 PolarHBondContact O-N 2.82Å; Q18-Q22 WeakPolarHBondContact O-CG 3.47Å; Q18-Q22 PolarHBondContact O-N 3.16Å |
| 19 | E | 75.9 | Confident | 67.7 | Low | 114 Ų | 114 | 104.4 Ų | 104.4 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 175.1 | -172 | -175.7 | 106.4 | 0 | 0 | 112.7 | N17 Q22 R23 | N17-E19 PolarHBondContact O-N 3.31Å; E19-Q22 PolarHBondContact O-N 3.34Å; E19-R23 PolarHBondContact O-N 3.09Å; E19-R23 IonicContact OE1-CZ 3.25Å; E19-R23 IonicContact OE1-NH1 2.66Å; E19-R23 PolarHBondContact OE1-NH1 3.26Å; E19-R23 IonicContact OE1-NH2 3.46Å; E19-R23 PolarHBondContact OE1-NH2 3.45Å |
| 20 | T | 74.9 | Confident | 69.8 | Low | 70 Ų | 70 | 100.3 Ų | 100.3 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.3 | -37.6 | 177.5 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | N17 Q18 R23 L24 | N17-T20 WeakPolarHBondContact O-CB 3.38Å; N17-T20 PolarHBondContact O-N 3.44Å; Q18-T20 VanDerWaalsContact C-N 3.34Å; Q18-T20 PolarHBondContact O-N 3.39Å; T20-R23 PolarHBondContact O-N 3.3Å; T20-L24 HydrophobicContact CG2-CD1 4.37Å; T20-L24 WeakPolarHBondContact O-CG 2.98Å; T20-L24 PolarHBondContact O-N 3.15Å |
| 21 | I | 77.4 | Confident | 71.4 | Confident | 48 Ų | 48 | 97.7 Ų | 97.7 | 25% | 0.246 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 174 | -66.8 | 164.7 | 0 | 0 | 0 | 110.4 | I16 N17 Q18 R23 L24 L25 L61 | I16-I21 HydrophobicContact CG2-CD1 3.48Å; I16-I21 VanDerWaalsContact CG2-CD1 3.48Å; I16-I21 HydrophobicContact CG2-CG1 4.14Å; N17-I21 PolarHBondContact O-N 3.37Å; Q18-I21 PolarHBondContact O-N 2.82Å; I21-R23 PolarHBondContact O-N 3.36Å; I21-L24 WeakPolarHBondContact O-CB 3.41Å; I21-L24 PolarHBondContact O-N 2.89Å; I21-L25 HydrophobicContact CG2-CD1 3.98Å; I21-L25 HydrophobicContact CG2-CG 4.41Å; I21-L25 WeakPolarHBondContact O-CG 3.38Å; I21-L25 PolarHBondContact O-N 3.22Å; I21-L61 HydrophobicContact CB-CD2 4.49Å; I21-L61 HydrophobicContact CG1-CD2 4.36Å; I21-L61 HydrophobicContact CG2-CD2 3.98Å |
| 22 | Q | 79.9 | Confident | 73 | Confident | 126 Ų | 126 | 92.4 Ų | 92.4 | 59% | 0.589 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 178.4 | -76.2 | 178.9 | 39 | 0 | 0 | 112.2 | Q18 E19 L24 L25 D26 | Q18-Q22 WeakPolarHBondContact O-CG 3.47Å; Q18-Q22 PolarHBondContact O-N 3.16Å; E19-Q22 PolarHBondContact O-N 3.34Å; Q22-L24 VanDerWaalsContact C-N 3.34Å; Q22-L24 PolarHBondContact O-N 3.21Å; Q22-L25 PolarHBondContact O-N 3.27Å; Q22-D26 PolarHBondContact O-N 2.64Å |
| 23 | R | 79.2 | Confident | 75 | Confident | 156 Ų | 156 | 97.7 Ų | 97.7 | 59% | 0.589 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 174.2 | -76.7 | -170.8 | 176.1 | 120 | 6.4 | 112.3 | E19 T20 I21 L25 D26 E27 | E19-R23 PolarHBondContact O-N 3.09Å; E19-R23 IonicContact OE1-CZ 3.25Å; E19-R23 IonicContact OE1-NH1 2.66Å; E19-R23 PolarHBondContact OE1-NH1 3.26Å; E19-R23 IonicContact OE1-NH2 3.46Å; E19-R23 PolarHBondContact OE1-NH2 3.45Å; T20-R23 PolarHBondContact O-N 3.3Å; I21-R23 PolarHBondContact O-N 3.36Å; R23-L25 VanDerWaalsContact C-N 3.33Å; R23-L25 PolarHBondContact O-N 3.02Å; R23-D26 PolarHBondContact O-N 2.66Å; R23-E27 WeakPolarHBondContact O-CB 3.48Å; R23-E27 WeakPolarHBondContact O-CG 3.4Å; R23-E27 PolarHBondContact O-N 3.25Å |
| 24 | L | 78.9 | Confident | 76.7 | Confident | 18 Ų | 18 | 90.3 Ų | 90.3 | 9% | 0.094 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 175.9 | -80.2 | 161.1 | 0 | 0 | 0 | 112.3 | V6 T20 I21 Q22 N28 Y60 L61 | V6-L24 HydrophobicContact CG2-CD2 4.03Å; T20-L24 HydrophobicContact CG2-CD1 4.37Å; T20-L24 WeakPolarHBondContact O-CG 2.98Å; T20-L24 PolarHBondContact O-N 3.15Å; I21-L24 WeakPolarHBondContact O-CB 3.41Å; I21-L24 PolarHBondContact O-N 2.89Å; Q22-L24 VanDerWaalsContact C-N 3.34Å; Q22-L24 PolarHBondContact O-N 3.21Å; L24-N28 WeakPolarHBondContact O-CB 3.09Å; L24-N28 PolarHBondContact O-N 3.44Å; L24-N28 PolarHBondContact O-ND2 3.35Å; L24-N28 PolarHBondContact O-OD1 3.42Å; L24-Y60 HydrophobicContact CD1-CD1 4.27Å; L24-Y60 HydrophobicContact CD1-CE1 4.09Å; L24-L61 HydrophobicContact CB-CD2 4.33Å; L24-L61 HydrophobicContact CD1-CD2 4.17Å |
| 25 | L | 83.2 | Confident | 78.3 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 176.7 | -72.4 | 170.1 | 0 | 0 | 0 | 112 | I21 Q22 R23 N28 D29 L61 | I21-L25 HydrophobicContact CG2-CD1 3.98Å; I21-L25 HydrophobicContact CG2-CG 4.41Å; I21-L25 WeakPolarHBondContact O-CG 3.38Å; I21-L25 PolarHBondContact O-N 3.22Å; Q22-L25 PolarHBondContact O-N 3.27Å; R23-L25 VanDerWaalsContact C-N 3.33Å; R23-L25 PolarHBondContact O-N 3.02Å; L25-N28 WeakPolarHBondContact O-CB 3.27Å; L25-N28 PolarHBondContact O-N 2.9Å; L25-D29 PolarHBondContact O-N 2.83Å; L25-L61 HydrophobicContact CD2-CD1 3.83Å; L25-L61 HydrophobicContact CG-CD1 4.32Å |
| 26 | D | 84.1 | Confident | 80 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.9 | -168 | -90.7 | 0 | 0 | 0 | 111.5 | Q22 R23 N28 D29 Q30 | Q22-D26 PolarHBondContact O-N 2.64Å; R23-D26 PolarHBondContact O-N 2.66Å; D26-N28 VanDerWaalsContact C-N 3.34Å; D26-N28 PolarHBondContact O-N 3.38Å; D26-D29 PolarHBondContact O-N 2.81Å; D26-Q30 PolarHBondContact O-N 2.95Å; D26-Q30 VanDerWaalsContact O-N 3.09Å; D26-Q30 PolarHBondContact OD1-NE2 3.28Å |
| 27 | E | 80.6 | Confident | 81.1 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 40% | 0.402 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 174.8 | -75 | -167.2 | 158.4 | 0 | 0 | 112 | R23 D29 Q30 L31 | R23-E27 WeakPolarHBondContact O-CB 3.48Å; R23-E27 WeakPolarHBondContact O-CG 3.4Å; R23-E27 PolarHBondContact O-N 3.25Å; E27-D29 VanDerWaalsContact C-N 3.35Å; E27-D29 PolarHBondContact O-N 2.94Å; E27-Q30 PolarHBondContact O-N 3.37Å; E27-L31 WeakPolarHBondContact O-CB 3.36Å; E27-L31 PolarHBondContact O-N 3.44Å |
| 28 | N | 84.7 | Confident | 81.9 | Confident | 10 Ų | 10 | 80.5 Ų | 80.5 | 5% | 0.053 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 175.3 | -74.1 | -20.4 | 0 | 0 | 0 | 111.9 | L24 L25 D26 L31 I32 L54 N57 | L24-N28 WeakPolarHBondContact O-CB 3.09Å; L24-N28 PolarHBondContact O-N 3.44Å; L24-N28 PolarHBondContact O-ND2 3.35Å; L24-N28 PolarHBondContact O-OD1 3.42Å; L25-N28 WeakPolarHBondContact O-CB 3.27Å; L25-N28 PolarHBondContact O-N 2.9Å; D26-N28 VanDerWaalsContact C-N 3.34Å; D26-N28 PolarHBondContact O-N 3.38Å; N28-L31 WeakPolarHBondContact O-CB 3.45Å; N28-L31 PolarHBondContact O-N 3.46Å; N28-I32 VanDerWaalsContact O-CG1 3.27Å; N28-I32 WeakPolarHBondContact O-CG1 3.42Å; N28-I32 PolarHBondContact O-N 2.92Å; N28-L54 HydrophobicContact CB-CD1 3.89Å; N28-N57 VanDerWaalsContact OD1-CB 3.23Å; N28-N57 WeakPolarHBondContact OD1-CB 3.22Å; N28-N57 PolarHBondContact OD1-ND2 3.05Å |
| 29 | D | 85.7 | Confident | 82.5 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.8 | -170.2 | -95.8 | 0 | 0 | 0 | 111.3 | L25 D26 E27 L31 I32 R33 | L25-D29 PolarHBondContact O-N 2.83Å; D26-D29 PolarHBondContact O-N 2.81Å; E27-D29 VanDerWaalsContact C-N 3.35Å; E27-D29 PolarHBondContact O-N 2.94Å; D29-L31 VanDerWaalsContact C-N 3.3Å; D29-L31 PolarHBondContact O-N 3.15Å; D29-I32 PolarHBondContact O-N 3.02Å; D29-R33 WeakPolarHBondContact O-CG 3.48Å; D29-R33 PolarHBondContact O-N 3.43Å; D29-R33 VanDerWaalsContact O-N 3.09Å; D29-R33 IonicContact OD1-CZ 2.64Å; D29-R33 IonicContact OD1-NE 3.32Å; D29-R33 PolarHBondContact OD1-NE 2.91Å; D29-R33 IonicContact OD1-NH2 3.58Å; D29-R33 PolarHBondContact OD1-NH2 3.3Å |
| 30 | Q | 85 | Confident | 83 | Confident | 112 Ų | 112 | 81.2 Ų | 81.2 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 174.2 | -68.2 | -176 | 47.5 | 0 | 0 | 112 | D26 E27 R33 C34 | D26-Q30 PolarHBondContact O-N 2.95Å; D26-Q30 VanDerWaalsContact O-N 3.09Å; D26-Q30 PolarHBondContact OD1-NE2 3.28Å; E27-Q30 PolarHBondContact O-N 3.37Å; Q30-R33 PolarHBondContact O-N 2.84Å; Q30-C34 WeakPolarHBondContact O-CB 3.47Å; Q30-C34 PolarHBondContact O-N 2.98Å |
| 31 | L | 82.2 | Confident | 83.6 | Confident | 32 Ų | 32 | 84 Ų | 84 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 178.8 | -134.2 | 139.1 | 0 | 0 | 0 | 111.5 | E27 N28 D29 C34 I35 Y50 I53 L54 | E27-L31 WeakPolarHBondContact O-CB 3.36Å; E27-L31 PolarHBondContact O-N 3.44Å; N28-L31 WeakPolarHBondContact O-CB 3.45Å; N28-L31 PolarHBondContact O-N 3.46Å; D29-L31 VanDerWaalsContact C-N 3.3Å; D29-L31 PolarHBondContact O-N 3.15Å; L31-C34 PolarHBondContact O-N 3.12Å; L31-I35 HydrophobicContact CD2-CD1 3.79Å; L31-I35 HydrophobicContact CD2-CG1 4.31Å; L31-I35 WeakPolarHBondContact O-CB 3.23Å; L31-I35 VanDerWaalsContact O-CG1 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.5Å; L31-I35 PolarHBondContact O-N 2.99Å; L31-Y50 HydrophobicContact CD2-CD1 4.03Å; L31-Y50 HydrophobicContact CD2-CG 4.38Å; L31-Y50 WeakPolarHBondContact CD2-O 3.49Å; L31-I53 HydrophobicContact CD1-CG2 4.25Å; L31-L54 HydrophobicContact CD2-CB 4.29Å |
| 32 | I | 86 | Confident | 84.1 | Confident | 77 Ų | 77 | 84.7 Ų | 84.7 | 40% | 0.395 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.1 | -68.9 | 162.5 | 0 | 0 | 0 | 110.9 | N28 D29 C34 I35 T36 L54 | N28-I32 VanDerWaalsContact O-CG1 3.27Å; N28-I32 WeakPolarHBondContact O-CG1 3.42Å; N28-I32 PolarHBondContact O-N 2.92Å; D29-I32 PolarHBondContact O-N 3.02Å; I32-C34 VanDerWaalsContact C-N 3.32Å; I32-C34 PolarHBondContact O-N 3.21Å; I32-I35 PolarHBondContact O-N 3.23Å; I32-T36 WeakPolarHBondContact O-CB 3.21Å; I32-T36 PolarHBondContact O-N 2.89Å; I32-T36 PolarHBondContact O-OG1 3.2Å; I32-L54 HydrophobicContact CD1-CD1 4.21Å; I32-L54 HydrophobicContact CD1-CD2 4.18Å; I32-L54 HydrophobicContact CG1-CD1 3.95Å; I32-L54 HydrophobicContact CG1-CD2 3.54Å; I32-L54 HydrophobicContact CG1-CG 4.41Å |
| 33 | R | 86.9 | Confident | 84.2 | Confident | 170 Ų | 170 | 83.6 Ų | 83.6 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 175.5 | -67.7 | 177 | -162.5 | -152.7 | 3.9 | 111.2 | D29 Q30 T36 E37 | D29-R33 WeakPolarHBondContact O-CG 3.48Å; D29-R33 PolarHBondContact O-N 3.43Å; D29-R33 VanDerWaalsContact O-N 3.09Å; D29-R33 IonicContact OD1-CZ 2.64Å; D29-R33 IonicContact OD1-NE 3.32Å; D29-R33 PolarHBondContact OD1-NE 2.91Å; D29-R33 IonicContact OD1-NH2 3.58Å; D29-R33 PolarHBondContact OD1-NH2 3.3Å; Q30-R33 PolarHBondContact O-N 2.84Å; R33-T36 PolarHBondContact O-N 3.29Å; R33-E37 PolarHBondContact O-N 3.35Å |
| 34 | C | 84.3 | Confident | 84.2 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 32% | 0.324 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 179.1 | -155.5 | 0 | 0 | 0 | 0 | 111.9 | Q30 L31 I32 T36 E37 Y38 | Q30-C34 WeakPolarHBondContact O-CB 3.47Å; Q30-C34 PolarHBondContact O-N 2.98Å; L31-C34 PolarHBondContact O-N 3.12Å; I32-C34 VanDerWaalsContact C-N 3.32Å; I32-C34 PolarHBondContact O-N 3.21Å; C34-T36 VanDerWaalsContact C-N 3.32Å; C34-T36 PolarHBondContact O-N 3.42Å; C34-E37 PolarHBondContact O-N 3.23Å; C34-Y38 WeakPolarHBondContact O-CD2 3.49Å; C34-Y38 PolarHBondContact O-N 2.66Å; C34-Y38 WeakPolarHBondContact SG-CE2 3.47Å |
| 35 | I | 84.8 | Confident | 84.4 | Confident | 9 Ų | 9 | 84.3 Ų | 84.3 | 5% | 0.046 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58 | -45.9 | 172.7 | -70.4 | 162.5 | 0 | 0 | 0 | 110.7 | L31 I32 E37 Y38 M39 C47 Y50 L54 | L31-I35 HydrophobicContact CD2-CD1 3.79Å; L31-I35 HydrophobicContact CD2-CG1 4.31Å; L31-I35 WeakPolarHBondContact O-CB 3.23Å; L31-I35 VanDerWaalsContact O-CG1 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.5Å; L31-I35 PolarHBondContact O-N 2.99Å; I32-I35 PolarHBondContact O-N 3.23Å; I35-E37 VanDerWaalsContact C-N 3.31Å; I35-E37 PolarHBondContact O-N 3.28Å; I35-Y38 PolarHBondContact O-N 2.72Å; I35-M39 HydrophobicContact CG2-CE 4.37Å; I35-M39 PolarHBondContact O-N 2.99Å; I35-C47 HydrophobicContact CG2-CB 4.42Å; I35-Y50 HydrophobicContact CG1-CG 4.32Å; I35-L54 HydrophobicContact CD1-CB 4.48Å; I35-L54 HydrophobicContact CD1-CD2 4.22Å |
| 36 | T | 85.9 | Confident | 84.3 | Confident | 60 Ų | 60 | 82.3 Ų | 82.3 | 37% | 0.368 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | -178.9 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | I32 R33 C34 M39 Q40 | I32-T36 WeakPolarHBondContact O-CB 3.21Å; I32-T36 PolarHBondContact O-N 2.89Å; I32-T36 PolarHBondContact O-OG1 3.2Å; R33-T36 PolarHBondContact O-N 3.29Å; C34-T36 VanDerWaalsContact C-N 3.32Å; C34-T36 PolarHBondContact O-N 3.42Å; T36-M39 PolarHBondContact O-N 2.87Å; T36-Q40 WeakPolarHBondContact O-CG 3.45Å; T36-Q40 PolarHBondContact O-N 3.47Å; T36-Q40 VanDerWaalsContact O-N 3.07Å |
| 37 | E | 87.1 | Confident | 84.2 | Confident | 99 Ų | 99 | 78 Ų | 78 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 175.1 | -163.8 | -173.9 | 102 | 0 | 0 | 112.1 | R33 C34 I35 M39 Q40 K41 | R33-E37 PolarHBondContact O-N 3.35Å; C34-E37 PolarHBondContact O-N 3.23Å; I35-E37 VanDerWaalsContact C-N 3.31Å; I35-E37 PolarHBondContact O-N 3.28Å; E37-M39 VanDerWaalsContact C-N 3.35Å; E37-Q40 PolarHBondContact O-N 3.4Å; E37-K41 HydrophobicContact CG-CD 4.46Å; E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 2.93Å; E37-K41 IonicContact OE1-NZ 3.41Å; E37-K41 PolarHBondContact OE1-NZ 2.95Å |
| 38 | Y | 83.7 | Confident | 84.3 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 15% | 0.153 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 175.6 | -75.2 | -45.2 | 0 | 0 | 0 | 113 | C34 I35 K41 G42 R43 C47 Y50 | C34-Y38 WeakPolarHBondContact O-CD2 3.49Å; C34-Y38 PolarHBondContact O-N 2.66Å; C34-Y38 WeakPolarHBondContact SG-CE2 3.47Å; I35-Y38 PolarHBondContact O-N 2.72Å; Y38-K41 CarbonylContact O-C 3.59Å; Y38-K41 PolarHBondContact O-N 2.95Å; Y38-G42 PolarHBondContact O-N 3.45Å; Y38-R43 HydrophobicContact CD1-CB 4.39Å; Y38-R43 VanDerWaalsContact CE1-CZ 3.48Å; Y38-R43 PolarHBondContact O-N 2.95Å; Y38-C47 VanDerWaalsContact C-SG 3.53Å; Y38-C47 VanDerWaalsContact CB-SG 3.55Å; Y38-Y50 AromaticContact CD2-CD2 3.94Å; Y38-Y50 HydrophobicContact CD2-CD2 3.94Å; Y38-Y50 AromaticContact CD2-CE2 3.74Å; Y38-Y50 HydrophobicContact CD2-CE2 3.74Å; Y38-Y50 HydrophobicContact CE2-CD2 4.11Å; Y38-Y50 AromaticContact CE2-CE2 3.46Å; Y38-Y50 HydrophobicContact CE2-CE2 3.46Å; Y38-Y50 VanDerWaalsContact CE2-CE2 3.46Å |
| 39 | M | 81.3 | Confident | 84.2 | Confident | 119 Ų | 119 | 83.2 Ų | 83.2 | 59% | 0.586 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 172.6 | -94 | -155.4 | -71.5 | 0 | 0 | 110.8 | I35 T36 E37 K41 G42 C47 | I35-M39 HydrophobicContact CG2-CE 4.37Å; I35-M39 PolarHBondContact O-N 2.99Å; T36-M39 PolarHBondContact O-N 2.87Å; E37-M39 VanDerWaalsContact C-N 3.35Å; M39-K41 PolarHBondContact O-N 3.17Å; M39-G42 PolarHBondContact O-N 3.36Å; M39-C47 HydrophobicContact CG-CB 4.15Å; M39-C47 WeakPolarHBondContact CG-SG 3.39Å; M39-C47 PolarHBondContact N-SG 3.16Å |
| 40 | Q | 87.1 | Confident | 84.1 | Confident | 163 Ų | 163 | 81.4 Ų | 81.4 | 76% | 0.762 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.7 | -32.3 | 176.3 | -74.6 | -179.3 | 56 | 0 | 0 | 112.6 | T36 E37 G42 | T36-Q40 WeakPolarHBondContact O-CG 3.45Å; T36-Q40 PolarHBondContact O-N 3.47Å; T36-Q40 VanDerWaalsContact O-N 3.07Å; E37-Q40 PolarHBondContact O-N 3.4Å; Q40-G42 VanDerWaalsContact C-N 3.27Å; Q40-G42 PolarHBondContact O-N 3.32Å |
| 41 | K | 88.2 | Confident | 84 | Confident | 128 Ų | 128 | 81.5 Ų | 81.5 | 56% | 0.557 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -0.9 | 175.2 | -70.9 | 172 | 177.4 | 169.4 | 0 | 114 | E37 Y38 M39 R43 | E37-K41 HydrophobicContact CG-CD 4.46Å; E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 2.93Å; E37-K41 IonicContact OE1-NZ 3.41Å; E37-K41 PolarHBondContact OE1-NZ 2.95Å; Y38-K41 CarbonylContact O-C 3.59Å; Y38-K41 PolarHBondContact O-N 2.95Å; M39-K41 PolarHBondContact O-N 3.17Å; K41-R43 VanDerWaalsContact C-N 3.33Å; K41-R43 HydrophobicContact CB-CG 4.17Å; K41-R43 PolarHBondContact O-N 3.32Å |
| 42 | G | 86.6 | Confident | 84.1 | Confident | 64 Ų | 64 | 86.2 Ų | 86.2 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 16.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y38 M39 Q40 A44 | Y38-G42 PolarHBondContact O-N 3.45Å; M39-G42 PolarHBondContact O-N 3.36Å; Q40-G42 VanDerWaalsContact C-N 3.27Å; Q40-G42 PolarHBondContact O-N 3.32Å; G42-A44 VanDerWaalsContact C-N 3.31Å; G42-A44 PolarHBondContact O-N 3.29Å; G42-A44 VanDerWaalsContact O-N 3.08Å |
| 43 | R | 82.9 | Confident | 83.9 | Confident | 103 Ų | 103 | 84 Ų | 84 | 39% | 0.389 | 43% | 0.43 | S | S | . | . | trans | -88.1 | 66.4 | -177.9 | -56.2 | -133.4 | -61.3 | -138.4 | 17.8 | 111.5 | Y38 K41 V45 E46 C47 | Y38-R43 HydrophobicContact CD1-CB 4.39Å; Y38-R43 VanDerWaalsContact CE1-CZ 3.48Å; Y38-R43 PolarHBondContact O-N 2.95Å; K41-R43 VanDerWaalsContact C-N 3.33Å; K41-R43 HydrophobicContact CB-CG 4.17Å; K41-R43 PolarHBondContact O-N 3.32Å; R43-V45 VanDerWaalsContact C-N 3.33Å; R43-V45 PolarHBondContact O-N 3.4Å; R43-E46 HydrophobicContact CB-CB 4.49Å; R43-E46 WeakPolarHBondContact CB-OE2 3.41Å; R43-E46 WeakPolarHBondContact CD-OE2 3.27Å; R43-E46 IonicContact CZ-OE1 2.76Å; R43-E46 VanDerWaalsContact CZ-OE1 3.32Å; R43-E46 IonicContact CZ-OE2 2.66Å; R43-E46 VanDerWaalsContact NE-CD 3.28Å; R43-E46 IonicContact NE-OE1 3.42Å; R43-E46 PolarHBondContact NE-OE1 3.36Å; R43-E46 IonicContact NE-OE2 3.08Å; R43-E46 PolarHBondContact NE-OE2 3.09Å; R43-E46 IonicContact NH2-OE1 2.74Å; R43-E46 PolarHBondContact NH2-OE1 3.09Å; R43-E46 IonicContact NH2-OE2 2.72Å; R43-E46 PolarHBondContact O-N 2.91Å; R43-C47 PolarHBondContact O-N 3.36Å; R43-C47 VanDerWaalsContact O-N 3.15Å; R43-C47 PolarHBondContact O-SG 2.89Å | ||
| 44 | A | 79.4 | Confident | 83.8 | Confident | 67 Ų | 67 | 77 Ų | 77 | 55% | 0.554 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.8 | -37.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G42 C47 V48 | G42-A44 VanDerWaalsContact C-N 3.31Å; G42-A44 PolarHBondContact O-N 3.29Å; G42-A44 VanDerWaalsContact O-N 3.08Å; A44-C47 WeakPolarHBondContact O-CB 3.27Å; A44-C47 PolarHBondContact O-N 3.26Å; A44-V48 WeakPolarHBondContact O-CG2 3.39Å; A44-V48 PolarHBondContact O-N 2.89Å; A44-V48 VanDerWaalsContact O-N 3.1Å |
| 45 | V | 82.2 | Confident | 83.8 | Confident | 121 Ų | 121 | 80.6 Ų | 80.6 | 73% | 0.733 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | -178.6 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | R43 V48 Q49 | R43-V45 VanDerWaalsContact C-N 3.33Å; R43-V45 PolarHBondContact O-N 3.4Å; V45-V48 PolarHBondContact O-N 3.38Å; V45-Q49 PolarHBondContact O-N 3.49Å |
| 46 | E | 81.3 | Confident | 83.7 | Confident | 55 Ų | 55 | 85.9 Ų | 85.9 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 177.5 | -76.2 | 161.7 | 92 | 0 | 0 | 111.1 | R43 V48 Q49 Y50 | R43-E46 HydrophobicContact CB-CB 4.49Å; R43-E46 WeakPolarHBondContact CB-OE2 3.41Å; R43-E46 WeakPolarHBondContact CD-OE2 3.27Å; R43-E46 IonicContact CZ-OE1 2.76Å; R43-E46 VanDerWaalsContact CZ-OE1 3.32Å; R43-E46 IonicContact CZ-OE2 2.66Å; R43-E46 VanDerWaalsContact NE-CD 3.28Å; R43-E46 IonicContact NE-OE1 3.42Å; R43-E46 PolarHBondContact NE-OE1 3.36Å; R43-E46 IonicContact NE-OE2 3.08Å; R43-E46 PolarHBondContact NE-OE2 3.09Å; R43-E46 IonicContact NH2-OE1 2.74Å; R43-E46 PolarHBondContact NH2-OE1 3.09Å; R43-E46 IonicContact NH2-OE2 2.72Å; R43-E46 PolarHBondContact O-N 2.91Å; E46-V48 VanDerWaalsContact C-N 3.31Å; E46-V48 PolarHBondContact O-N 2.8Å; E46-Q49 PolarHBondContact O-N 3.4Å; E46-Q49 VanDerWaalsContact O-N 3.16Å; E46-Y50 HydrophobicContact CB-CD2 4.14Å; E46-Y50 HydrophobicContact CB-CE2 3.98Å; E46-Y50 WeakPolarHBondContact O-CD2 3.5Å; E46-Y50 PolarHBondContact O-N 3.33Å |
| 47 | C | 81.6 | Confident | 83.5 | Confident | 5 Ų | 5 | 83.4 Ų | 83.4 | 3% | 0.034 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 176.4 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | I35 Y38 M39 R43 A44 Y50 Q51 | I35-C47 HydrophobicContact CG2-CB 4.42Å; Y38-C47 VanDerWaalsContact C-SG 3.53Å; Y38-C47 VanDerWaalsContact CB-SG 3.55Å; M39-C47 HydrophobicContact CG-CB 4.15Å; M39-C47 WeakPolarHBondContact CG-SG 3.39Å; M39-C47 PolarHBondContact N-SG 3.16Å; R43-C47 PolarHBondContact O-N 3.36Å; R43-C47 VanDerWaalsContact O-N 3.15Å; R43-C47 PolarHBondContact O-SG 2.89Å; A44-C47 WeakPolarHBondContact O-CB 3.27Å; A44-C47 PolarHBondContact O-N 3.26Å; C47-Y50 PolarHBondContact O-N 2.91Å; C47-Q51 WeakPolarHBondContact O-CB 3.33Å; C47-Q51 PolarHBondContact O-N 3.24Å |
| 48 | V | 83.6 | Confident | 83.3 | Confident | 82 Ų | 82 | 83 Ų | 83 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 111 | A44 V45 E46 Q51 Q52 | A44-V48 WeakPolarHBondContact O-CG2 3.39Å; A44-V48 PolarHBondContact O-N 2.89Å; A44-V48 VanDerWaalsContact O-N 3.1Å; V45-V48 PolarHBondContact O-N 3.38Å; E46-V48 VanDerWaalsContact C-N 3.31Å; E46-V48 PolarHBondContact O-N 2.8Å; V48-Q51 PolarHBondContact O-N 3.45Å; V48-Q52 WeakPolarHBondContact O-CG 3.19Å; V48-Q52 PolarHBondContact O-N 3.29Å; V48-Q52 VanDerWaalsContact O-N 3.09Å |
| 49 | Q | 83.3 | Confident | 83.4 | Confident | 124 Ų | 124 | 84.4 Ų | 84.4 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 177.5 | -169.3 | 174.8 | 19.5 | 0 | 0 | 111.7 | V45 E46 Q52 I53 | V45-Q49 PolarHBondContact O-N 3.49Å; E46-Q49 PolarHBondContact O-N 3.4Å; E46-Q49 VanDerWaalsContact O-N 3.16Å; Q49-Q52 PolarHBondContact O-N 3.01Å; Q49-I53 WeakPolarHBondContact O-CG1 3.23Å; Q49-I53 PolarHBondContact O-N 3.03Å |
| 50 | Y | 82.8 | Confident | 83.4 | Confident | 33 Ų | 33 | 81 Ų | 81 | 13% | 0.129 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.5 | -36.1 | 177.2 | -73 | -60.8 | 0 | 0 | 0 | 112.5 | I3 L31 I35 Y38 E46 C47 Q52 I53 L54 | I3-Y50 HydrophobicContact CD1-CE1 4.04Å; I3-Y50 WeakPolarHBondContact CD1-OH 3.35Å; I3-Y50 HydrophobicContact CG1-CE1 4.15Å; I3-Y50 HydrophobicContact CG2-CE1 4.49Å; L31-Y50 HydrophobicContact CD2-CD1 4.03Å; L31-Y50 HydrophobicContact CD2-CG 4.38Å; L31-Y50 WeakPolarHBondContact CD2-O 3.49Å; I35-Y50 HydrophobicContact CG1-CG 4.32Å; Y38-Y50 AromaticContact CD2-CD2 3.94Å; Y38-Y50 HydrophobicContact CD2-CD2 3.94Å; Y38-Y50 AromaticContact CD2-CE2 3.74Å; Y38-Y50 HydrophobicContact CD2-CE2 3.74Å; Y38-Y50 HydrophobicContact CE2-CD2 4.11Å; Y38-Y50 AromaticContact CE2-CE2 3.46Å; Y38-Y50 HydrophobicContact CE2-CE2 3.46Å; Y38-Y50 VanDerWaalsContact CE2-CE2 3.46Å; E46-Y50 HydrophobicContact CB-CD2 4.14Å; E46-Y50 HydrophobicContact CB-CE2 3.98Å; E46-Y50 WeakPolarHBondContact O-CD2 3.5Å; E46-Y50 PolarHBondContact O-N 3.33Å; C47-Y50 PolarHBondContact O-N 2.91Å; Y50-Q52 VanDerWaalsContact C-N 3.34Å; Y50-Q52 PolarHBondContact O-N 3.48Å; Y50-I53 HydrophobicContact CD1-CD1 4.32Å; Y50-I53 PolarHBondContact O-N 2.72Å; Y50-L54 PolarHBondContact O-N 3.25Å |
| 51 | Q | 83.3 | Confident | 83.1 | Confident | 113 Ų | 113 | 74.5 Ų | 74.5 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 172.9 | -101.8 | -177.5 | -50.4 | 0 | 0 | 112.3 | C47 V48 I53 L54 H55 | C47-Q51 WeakPolarHBondContact O-CB 3.33Å; C47-Q51 PolarHBondContact O-N 3.24Å; V48-Q51 PolarHBondContact O-N 3.45Å; Q51-I53 VanDerWaalsContact C-N 3.28Å; Q51-I53 PolarHBondContact O-N 2.89Å; Q51-L54 PolarHBondContact O-N 3.38Å; Q51-H55 WeakPolarHBondContact O-CB 3.04Å; Q51-H55 PolarHBondContact O-N 3.04Å |
| 52 | Q | 83.8 | Confident | 82.8 | Confident | 132 Ų | 132 | 71.1 Ų | 71.1 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 177.1 | -71.1 | -68.3 | -38 | 0 | 0 | 111.8 | V48 Q49 Y50 R56 | V48-Q52 WeakPolarHBondContact O-CG 3.19Å; V48-Q52 PolarHBondContact O-N 3.29Å; V48-Q52 VanDerWaalsContact O-N 3.09Å; Q49-Q52 PolarHBondContact O-N 3.01Å; Y50-Q52 VanDerWaalsContact C-N 3.34Å; Y50-Q52 PolarHBondContact O-N 3.48Å; Q52-R56 PolarHBondContact O-N 3.25Å; Q52-R56 VanDerWaalsContact O-N 3.15Å |
| 53 | I | 82.4 | Confident | 82.6 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 15% | 0.154 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67 | -49.7 | 176.2 | -63.6 | 166.2 | 0 | 0 | 0 | 110.2 | I3 L31 Q49 Y50 Q51 H55 R56 N57 | I3-I53 HydrophobicContact CG2-CD1 3.88Å; L31-I53 HydrophobicContact CD1-CG2 4.25Å; Q49-I53 WeakPolarHBondContact O-CG1 3.23Å; Q49-I53 PolarHBondContact O-N 3.03Å; Y50-I53 HydrophobicContact CD1-CD1 4.32Å; Y50-I53 PolarHBondContact O-N 2.72Å; Q51-I53 VanDerWaalsContact C-N 3.28Å; Q51-I53 PolarHBondContact O-N 2.89Å; I53-H55 VanDerWaalsContact C-N 3.32Å; I53-H55 PolarHBondContact O-N 3.21Å; I53-R56 WeakPolarHBondContact O-CB 3.37Å; I53-R56 PolarHBondContact O-N 2.97Å; I53-R56 VanDerWaalsContact O-N 3.12Å; I53-N57 PolarHBondContact O-N 3.24Å |
| 54 | L | 83.8 | Confident | 82.3 | Confident | 24 Ų | 24 | 68 Ų | 68 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 177.9 | -177 | 66.9 | 0 | 0 | 0 | 111.4 | N28 L31 I32 I35 Y50 Q51 R56 N57 I58 | N28-L54 HydrophobicContact CB-CD1 3.89Å; L31-L54 HydrophobicContact CD2-CB 4.29Å; I32-L54 HydrophobicContact CD1-CD1 4.21Å; I32-L54 HydrophobicContact CD1-CD2 4.18Å; I32-L54 HydrophobicContact CG1-CD1 3.95Å; I32-L54 HydrophobicContact CG1-CD2 3.54Å; I32-L54 HydrophobicContact CG1-CG 4.41Å; I35-L54 HydrophobicContact CD1-CB 4.48Å; I35-L54 HydrophobicContact CD1-CD2 4.22Å; Y50-L54 PolarHBondContact O-N 3.25Å; Q51-L54 PolarHBondContact O-N 3.38Å; L54-R56 VanDerWaalsContact C-N 3.3Å; L54-R56 PolarHBondContact O-N 2.96Å; L54-N57 PolarHBondContact O-N 3.44Å; L54-N57 VanDerWaalsContact O-N 3.17Å; L54-I58 HydrophobicContact CD1-CD1 4.4Å; L54-I58 HydrophobicContact CG-CD1 4.1Å; L54-I58 WeakPolarHBondContact O-CG1 3.33Å; L54-I58 PolarHBondContact O-N 2.83Å |
| 55 | H | 85.2 | Confident | 82 | Confident | 122 Ų | 122 | 68 Ų | 68 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.2 | -43.7 | 177.8 | -176.2 | -98.3 | 0 | 0 | 0 | 111.5 | Q51 I53 N57 I58 V59 | Q51-H55 WeakPolarHBondContact O-CB 3.04Å; Q51-H55 PolarHBondContact O-N 3.04Å; I53-H55 VanDerWaalsContact C-N 3.32Å; I53-H55 PolarHBondContact O-N 3.21Å; H55-N57 VanDerWaalsContact C-N 3.34Å; H55-N57 PolarHBondContact O-N 3.48Å; H55-I58 PolarHBondContact O-N 2.94Å; H55-V59 WeakPolarHBondContact O-CB 3.49Å; H55-V59 VanDerWaalsContact O-CG2 3.27Å; H55-V59 WeakPolarHBondContact O-CG2 3.49Å; H55-V59 PolarHBondContact O-N 3.09Å |
| 56 | R | 82.7 | Confident | 81.6 | Confident | 121 Ų | 121 | 69.2 Ų | 69.2 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 178.1 | -164.3 | 178.4 | -167.4 | 162.9 | 11.2 | 112.6 | Q52 I53 L54 Y60 | Q52-R56 PolarHBondContact O-N 3.25Å; Q52-R56 VanDerWaalsContact O-N 3.15Å; I53-R56 WeakPolarHBondContact O-CB 3.37Å; I53-R56 PolarHBondContact O-N 2.97Å; I53-R56 VanDerWaalsContact O-N 3.12Å; L54-R56 VanDerWaalsContact C-N 3.3Å; L54-R56 PolarHBondContact O-N 2.96Å; R56-Y60 VanDerWaalsContact O-CB 3.27Å; R56-Y60 WeakPolarHBondContact O-CB 3.39Å; R56-Y60 PolarHBondContact O-N 3.11Å |
| 57 | N | 80.9 | Confident | 80.9 | Confident | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.043 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 177.4 | -71.2 | -1.3 | 0 | 0 | 0 | 111.4 | N28 I53 L54 H55 Y60 L61 | N28-N57 VanDerWaalsContact OD1-CB 3.23Å; N28-N57 WeakPolarHBondContact OD1-CB 3.22Å; N28-N57 PolarHBondContact OD1-ND2 3.05Å; I53-N57 PolarHBondContact O-N 3.24Å; L54-N57 PolarHBondContact O-N 3.44Å; L54-N57 VanDerWaalsContact O-N 3.17Å; H55-N57 VanDerWaalsContact C-N 3.34Å; H55-N57 PolarHBondContact O-N 3.48Å; N57-Y60 WeakPolarHBondContact O-CB 3.43Å; N57-Y60 PolarHBondContact O-N 2.89Å; N57-L61 WeakPolarHBondContact O-CG 3.42Å; N57-L61 PolarHBondContact O-N 2.76Å |
| 58 | I | 84 | Confident | 79.9 | Confident | 89 Ų | 89 | 72.8 Ų | 72.8 | 46% | 0.456 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 176.8 | -66.3 | 174.1 | 0 | 0 | 0 | 110.7 | L54 H55 Y60 L61 A62 | L54-I58 HydrophobicContact CD1-CD1 4.4Å; L54-I58 HydrophobicContact CG-CD1 4.1Å; L54-I58 WeakPolarHBondContact O-CG1 3.33Å; L54-I58 PolarHBondContact O-N 2.83Å; H55-I58 PolarHBondContact O-N 2.94Å; I58-Y60 VanDerWaalsContact C-N 3.26Å; I58-Y60 PolarHBondContact O-N 3.33Å; I58-L61 PolarHBondContact O-N 3.07Å; I58-A62 WeakPolarHBondContact O-CB 3.49Å; I58-A62 PolarHBondContact O-N 2.97Å |
| 59 | V | 85.6 | Confident | 78.4 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 42% | 0.424 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111.1 | H55 A62 T63 | H55-V59 WeakPolarHBondContact O-CB 3.49Å; H55-V59 VanDerWaalsContact O-CG2 3.27Å; H55-V59 WeakPolarHBondContact O-CG2 3.49Å; H55-V59 PolarHBondContact O-N 3.09Å; V59-A62 PolarHBondContact O-N 3.31Å; V59-T63 WeakPolarHBondContact O-CB 3.44Å; V59-T63 PolarHBondContact O-N 3.47Å; V59-T63 PolarHBondContact O-OG1 3.26Å |
| 60 | Y | 81.7 | Confident | 76.9 | Confident | 47 Ų | 47 | 75 Ų | 75 | 18% | 0.184 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 175.5 | 179.4 | -112.9 | 0 | 0 | 0 | 112 | R11 L24 R56 N57 I58 A62 T63 I64 | R11-Y60 HydrophobicContact CG-CD2 4.41Å; R11-Y60 HydrophobicContact CG-CE2 3.98Å; L24-Y60 HydrophobicContact CD1-CD1 4.27Å; L24-Y60 HydrophobicContact CD1-CE1 4.09Å; R56-Y60 VanDerWaalsContact O-CB 3.27Å; R56-Y60 WeakPolarHBondContact O-CB 3.39Å; R56-Y60 PolarHBondContact O-N 3.11Å; N57-Y60 WeakPolarHBondContact O-CB 3.43Å; N57-Y60 PolarHBondContact O-N 2.89Å; I58-Y60 VanDerWaalsContact C-N 3.26Å; I58-Y60 PolarHBondContact O-N 3.33Å; Y60-A62 VanDerWaalsContact C-N 3.34Å; Y60-A62 PolarHBondContact O-N 3.46Å; Y60-T63 PolarHBondContact O-N 3.22Å; Y60-I64 HydrophobicContact CD1-CD1 3.64Å; Y60-I64 HydrophobicContact CD2-CD1 4.19Å; Y60-I64 HydrophobicContact CE1-CD1 3.23Å; Y60-I64 HydrophobicContact CE1-CG1 4.46Å; Y60-I64 HydrophobicContact CE2-CD1 3.83Å; Y60-I64 HydrophobicContact CE2-CG1 4.3Å; Y60-I64 HydrophobicContact CG-CD1 4.11Å; Y60-I64 WeakPolarHBondContact O-CG1 3.47Å; Y60-I64 PolarHBondContact O-N 3.24Å |
| 61 | L | 80.1 | Confident | 75.4 | Confident | 26 Ų | 26 | 80.8 Ų | 80.8 | 14% | 0.136 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 175 | -72.6 | 172.6 | 0 | 0 | 0 | 111.9 | I21 L24 L25 N57 I58 I64 A65 | I21-L61 HydrophobicContact CB-CD2 4.49Å; I21-L61 HydrophobicContact CG1-CD2 4.36Å; I21-L61 HydrophobicContact CG2-CD2 3.98Å; L24-L61 HydrophobicContact CB-CD2 4.33Å; L24-L61 HydrophobicContact CD1-CD2 4.17Å; L25-L61 HydrophobicContact CD2-CD1 3.83Å; L25-L61 HydrophobicContact CG-CD1 4.32Å; N57-L61 WeakPolarHBondContact O-CG 3.42Å; N57-L61 PolarHBondContact O-N 2.76Å; I58-L61 PolarHBondContact O-N 3.07Å; L61-I64 PolarHBondContact O-N 2.94Å; L61-A65 WeakPolarHBondContact O-CB 2.97Å; L61-A65 PolarHBondContact O-N 3.44Å |
| 62 | A | 81.9 | Confident | 73.9 | Confident | 58 Ų | 58 | 79.9 Ų | 79.9 | 48% | 0.479 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I58 V59 Y60 I64 A65 D66 | I58-A62 WeakPolarHBondContact O-CB 3.49Å; I58-A62 PolarHBondContact O-N 2.97Å; V59-A62 PolarHBondContact O-N 3.31Å; Y60-A62 VanDerWaalsContact C-N 3.34Å; Y60-A62 PolarHBondContact O-N 3.46Å; A62-I64 VanDerWaalsContact C-N 3.28Å; A62-I64 PolarHBondContact O-N 3.43Å; A62-A65 PolarHBondContact O-N 2.94Å; A62-D66 WeakPolarHBondContact O-CB 3.32Å; A62-D66 PolarHBondContact O-N 3.1Å |
| 63 | T | 81.9 | Confident | 72.7 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 177 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | V59 Y60 A67 | V59-T63 WeakPolarHBondContact O-CB 3.44Å; V59-T63 PolarHBondContact O-N 3.47Å; V59-T63 PolarHBondContact O-OG1 3.26Å; Y60-T63 PolarHBondContact O-N 3.22Å; T63-A67 WeakPolarHBondContact O-CB 3.39Å; T63-A67 PolarHBondContact O-N 2.86Å |
| 64 | I | 76.4 | Confident | 71.6 | Confident | 17 Ų | 17 | 82.2 Ų | 82.2 | 9% | 0.087 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -70.4 | -42.2 | 176.1 | -71 | 164.1 | 0 | 0 | 0 | 111.6 | I16 Y60 L61 A62 D66 A67 S68 | I16-I64 HydrophobicContact CB-CG2 4.13Å; I16-I64 HydrophobicContact CD1-CG2 3.9Å; I16-I64 HydrophobicContact CG1-CG1 4.34Å; I16-I64 HydrophobicContact CG1-CG2 3.69Å; I16-I64 HydrophobicContact CG2-CG2 3.36Å; Y60-I64 HydrophobicContact CD1-CD1 3.64Å; Y60-I64 HydrophobicContact CD2-CD1 4.19Å; Y60-I64 HydrophobicContact CE1-CD1 3.23Å; Y60-I64 HydrophobicContact CE1-CG1 4.46Å; Y60-I64 HydrophobicContact CE2-CD1 3.83Å; Y60-I64 HydrophobicContact CE2-CG1 4.3Å; Y60-I64 HydrophobicContact CG-CD1 4.11Å; Y60-I64 WeakPolarHBondContact O-CG1 3.47Å; Y60-I64 PolarHBondContact O-N 3.24Å; L61-I64 PolarHBondContact O-N 2.94Å; A62-I64 VanDerWaalsContact C-N 3.28Å; A62-I64 PolarHBondContact O-N 3.43Å; I64-D66 VanDerWaalsContact C-N 3.33Å; I64-A67 PolarHBondContact O-N 2.79Å; I64-S68 PolarHBondContact O-N 3.46Å; I64-S68 VanDerWaalsContact O-N 3.11Å; I64-S68 PolarHBondContact O-OG 2.74Å |
| 65 | A | 74.5 | Confident | 70.6 | Confident | 66 Ų | 66 | 89.4 Ų | 89.4 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L61 A62 S68 | L61-A65 WeakPolarHBondContact O-CB 2.97Å; L61-A65 PolarHBondContact O-N 3.44Å; A62-A65 PolarHBondContact O-N 2.94Å; A65-S68 WeakPolarHBondContact O-CB 3.45Å; A65-S68 PolarHBondContact O-N 3.04Å |
| 66 | D | 73 | Confident | 69.5 | Low | 146 Ų | 146 | 92.9 Ų | 92.9 | 78% | 0.781 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.3 | -34 | 175.4 | -167.8 | 78.3 | 0 | 0 | 0 | 112.7 | A62 I64 S68 | A62-D66 WeakPolarHBondContact O-CB 3.32Å; A62-D66 PolarHBondContact O-N 3.1Å; I64-D66 VanDerWaalsContact C-N 3.33Å; D66-S68 PolarHBondContact O-N 3.06Å |
| 67 | A | 67.6 | Low | 68.8 | Low | 72 Ų | 72 | 91.5 Ų | 91.5 | 60% | 0.595 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -4.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T63 I64 | T63-A67 WeakPolarHBondContact O-CB 3.39Å; T63-A67 PolarHBondContact O-N 2.86Å; I64-A67 PolarHBondContact O-N 2.79Å |
| 68 | S | 59.2 | Low | 68.2 | Low | 63 Ų | 63 | 95.9 Ų | 95.9 | 44% | 0.441 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -72.5 | 119.5 | 172.3 | -60.9 | 0 | 0 | 0 | 0 | 107.3 | I64 A65 D66 D70 | I64-S68 PolarHBondContact O-N 3.46Å; I64-S68 VanDerWaalsContact O-N 3.11Å; I64-S68 PolarHBondContact O-OG 2.74Å; A65-S68 WeakPolarHBondContact O-CB 3.45Å; A65-S68 PolarHBondContact O-N 3.04Å; D66-S68 PolarHBondContact O-N 3.06Å; S68-D70 PolarHBondContact O-N 2.93Å |
| 69 | P | 52.8 | Low | 67.3 | Low | 123 Ų | 123 | 96.3 Ų | 96.3 | 80% | 0.799 | 59% | 0.587 | S | S | * | * | trans | -61.7 | 118.7 | -177 | 25.5 | -32.4 | 0 | 0 | 0 | 108.6 | D71 | P69-D71 VanDerWaalsContact C-N 3.31Å; P69-D71 PolarHBondContact O-N 3.43Å | ||
| 70 | D | 51.3 | Low | 66.2 | Low | 131 Ų | 131 | 97.8 Ų | 97.8 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | trans | -55.4 | 94.3 | 169.1 | -162.6 | -127.7 | 0 | 0 | 0 | 107.9 | S68 T72 | S68-D70 PolarHBondContact O-N 2.93Å; D70-T72 PolarHBondContact O-N 3.46Å; D70-T72 WeakPolarHBondContact OD1-CG2 3.46Å; D70-T72 PolarHBondContact OD1-OG1 2.88Å | ||
| 71 | D | 51.5 | Low | 65.3 | Low | 153 Ų | 153 | 101 Ų | 101 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -75.1 | 65.2 | 165.8 | -159.9 | -97.1 | 0 | 0 | 0 | 106.6 | P69 P73 | P69-D71 VanDerWaalsContact C-N 3.31Å; P69-D71 PolarHBondContact O-N 3.43Å; D71-P73 WeakPolarHBondContact O-CD 3.18Å | ||
| 72 | T | 51.6 | Low | 64.3 | Low | 94 Ų | 94 | 106 Ų | 106 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | trans | -76.9 | 109.9 | 162.7 | 45.2 | 0 | 0 | 0 | 0 | 106.9 | D70 | D70-T72 PolarHBondContact O-N 3.46Å; D70-T72 WeakPolarHBondContact OD1-CG2 3.46Å; D70-T72 PolarHBondContact OD1-OG1 2.88Å | ||
| 73 | P | 58.6 | Low | 63 | Low | 97 Ų | 97 | 109.4 Ų | 109.4 | 63% | 0.63 | 67% | 0.667 | S | S | * | * | trans | -62.3 | 137.9 | 171.5 | 26.7 | -32.8 | 0 | 0 | 0 | 108.2 | D71 I75 | D71-P73 WeakPolarHBondContact O-CD 3.18Å; P73-I75 PolarHBondContact O-N 3.14Å; P73-I75 VanDerWaalsContact O-N 3.14Å | ||
| 74 | P | 59.1 | Low | 61.6 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | trans | -61.7 | 122.1 | 175 | 25.8 | -31.1 | 0 | 0 | 0 | 108.2 | T76 | P74-T76 PolarHBondContact O-N 2.99Š| ||
| 75 | I | 63.3 | Low | 60.3 | Low | 176 Ų | 176 | 119.2 Ų | 119.2 | 90% | 0.903 | 73% | 0.727 | S | S | * | * | trans | -62.3 | 106.6 | 172.4 | -48.4 | 162.6 | 0 | 0 | 0 | 105.8 | P73 | P73-I75 PolarHBondContact O-N 3.14Å; P73-I75 VanDerWaalsContact O-N 3.14Å | ||
| 76 | T | 61.5 | Low | 59 | Low | 195 Ų | 195 | 124 Ų | 124 | 100% | 1.196 | 74% | 0.744 | S | S | * | * | trans | -94.8 | 0 | 169 | -54.3 | 0 | 0 | 0 | 0 | 108.8 | P74 | P74-T76 PolarHBondContact O-N 2.99Š|
Retrieved 76 of 76 residues in 61.4 ms
(Link to these results)