| 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 | 29.5 | Very low | 36.2 | Very low | 244 Ų | 244 | 159.8 Ų | 159.8 | 100% | 1.202 | 75% | 0.75 | S | S | * | * | 0 | 98.7 | 0 | -80.1 | 179.7 | -174.6 | 0 | 0 | 107 | |||||
| 2 | E | 26.9 | Very low | 36.9 | Very low | 199 Ų | 199 | 150.8 Ų | 150.8 | 93% | 0.93 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 133.9 | 177 | -74 | 173.9 | 140.8 | 0 | 0 | 109.4 | ||
| 3 | R | 30.6 | Very low | 37.8 | Very low | 245 Ų | 245 | 151.2 Ų | 151.2 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 118.9 | 179.9 | -67.1 | -177.6 | -175 | -179.9 | 1.1 | 108.2 | R5 | R3-R5 PolarHBondContact O-N 3.5Š|
| 4 | I | 34.5 | Very low | 38.8 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.5 | 168 | -60.2 | 172.5 | 0 | 0 | 0 | 106.9 | ||
| 5 | R | 35.4 | Very low | 39.7 | Very low | 238 Ų | 238 | 137.6 Ų | 137.6 | 90% | 0.898 | 67% | 0.667 | S | S | * | * | trans | -95.4 | 100.9 | 176.2 | -152.2 | 178.4 | -171.7 | -174.8 | 0.1 | 106.6 | R3 E7 | R3-R5 PolarHBondContact O-N 3.5Å; R5-E7 PolarHBondContact O-N 2.91Å | ||
| 6 | L | 35.5 | Very low | 40.4 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | trans | -71.9 | 118.4 | 173.2 | -79.7 | 157.2 | 0 | 0 | 0 | 108 | ||||
| 7 | E | 33.5 | Very low | 40.9 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | trans | -72.2 | 132.6 | 174.6 | -65.6 | -165.4 | 153.1 | 0 | 0 | 109.8 | R5 I9 | R5-E7 PolarHBondContact O-N 2.91Å; E7-I9 PolarHBondContact O-N 3.24Å | ||
| 8 | V | 39 | Very low | 41.5 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 78% | 0.782 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 0.2 | -166.7 | 175.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 9 | I | 37.2 | Very low | 41.9 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 70% | 0.703 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -22.1 | -167.9 | -63.8 | 176.6 | 0 | 0 | 0 | 113.3 | E7 | E7-I9 PolarHBondContact O-N 3.24Š|
| 10 | E | 48 | Very low | 42 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 44% | 0.444 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -95.8 | -5.8 | -174.6 | -73.3 | -178.1 | 153 | 0 | 0 | 116 | L14 | E10-L14 VanDerWaalsContact O-CB 3.32Å; E10-L14 WeakPolarHBondContact O-CB 3.38Å; E10-L14 PolarHBondContact O-N 3.41Å |
| 11 | L | 48.3 | Very low | 42.4 | Very low | 52 Ų | 52 | 122.8 Ų | 122.8 | 27% | 0.272 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -77.7 | -39.2 | -176.4 | -106.6 | 146.8 | 0 | 0 | 0 | 112.8 | M15 L33 I36 | L11-M15 WeakPolarHBondContact O-CB 3.21Å; L11-M15 WeakPolarHBondContact O-CG 3.4Å; L11-M15 PolarHBondContact O-N 3.36Å; L11-L33 HydrophobicContact CD2-CD2 4.22Å; L11-I36 HydrophobicContact CD1-CG2 4.13Å; L11-I36 HydrophobicContact CD2-CB 4.46Å; L11-I36 HydrophobicContact CD2-CD1 3.97Å; L11-I36 HydrophobicContact CD2-CG2 4.06Å |
| 12 | G | 44.4 | Very low | 43.3 | Very low | 51 Ų | 51 | 118.2 Ų | 118.2 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.9 | -36.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G16 | G12-G16 PolarHBondContact O-N 2.56Å; G12-G16 VanDerWaalsContact O-N 3.11Å |
| 13 | E | 48.6 | Very low | 44.6 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 73% | 0.734 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.8 | -40.9 | 177.3 | -63 | -168.9 | 167.8 | 0 | 0 | 111.7 | M15 G16 Y17 | E13-M15 VanDerWaalsContact C-N 3.29Å; E13-M15 PolarHBondContact O-N 3.06Å; E13-G16 PolarHBondContact O-N 3.49Å; E13-Y17 PolarHBondContact O-N 3.35Å |
| 14 | L | 51.4 | Low | 45.6 | Very low | 54 Ų | 54 | 107.6 Ų | 107.6 | 28% | 0.283 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 172.4 | -175.3 | 67.7 | 0 | 0 | 0 | 111.5 | E10 Y17 V18 V65 M69 | E10-L14 VanDerWaalsContact O-CB 3.32Å; E10-L14 WeakPolarHBondContact O-CB 3.38Å; E10-L14 PolarHBondContact O-N 3.41Å; L14-Y17 WeakPolarHBondContact O-CB 3.38Å; L14-Y17 PolarHBondContact O-N 3.03Å; L14-V18 VanDerWaalsContact O-CG2 3.32Å; L14-V18 WeakPolarHBondContact O-CG2 3.3Å; L14-V18 PolarHBondContact O-N 2.82Å; L14-V65 HydrophobicContact CD2-CG1 4.39Å; L14-M69 HydrophobicContact CD2-CE 4.39Å; L14-M69 HydrophobicContact CD2-CG 4.31Å; L14-M69 HydrophobicContact CD2-SD 3.87Å |
| 15 | M | 53.2 | Low | 46.5 | Very low | 44 Ų | 44 | 103.7 Ų | 103.7 | 22% | 0.217 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 174.8 | -73.6 | 165.1 | 50.6 | 0 | 0 | 113.3 | L11 E13 Y17 V18 H19 V29 L33 | L11-M15 WeakPolarHBondContact O-CB 3.21Å; L11-M15 WeakPolarHBondContact O-CG 3.4Å; L11-M15 PolarHBondContact O-N 3.36Å; E13-M15 VanDerWaalsContact C-N 3.29Å; E13-M15 PolarHBondContact O-N 3.06Å; M15-Y17 VanDerWaalsContact C-N 3.26Å; M15-Y17 PolarHBondContact O-N 2.64Å; M15-V18 PolarHBondContact O-N 3.43Å; M15-H19 WeakPolarHBondContact O-CB 3.36Å; M15-H19 PolarHBondContact O-N 2.74Å; M15-V29 HydrophobicContact CB-CG1 3.82Å; M15-V29 HydrophobicContact CE-CG1 4.17Å; M15-V29 HydrophobicContact CG-CG1 3.82Å; M15-L33 HydrophobicContact CE-CD1 3.25Å; M15-L33 HydrophobicContact CE-CG 3.92Å; M15-L33 HydrophobicContact CG-CG 4.2Å; M15-L33 HydrophobicContact SD-CD1 3.3Å; M15-L33 WeakPolarHBondContact SD-CD1 3.3Å; M15-L33 HydrophobicContact SD-CD2 3.49Å; M15-L33 WeakPolarHBondContact SD-CD2 3.25Å; M15-L33 HydrophobicContact SD-CG 3.29Å; M15-L33 WeakPolarHBondContact SD-CG 3.45Å |
| 16 | G | 49.9 | Very low | 47.4 | Very low | 30 Ų | 30 | 99 Ų | 99 | 31% | 0.309 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G12 E13 L20 | G12-G16 PolarHBondContact O-N 2.56Å; G12-G16 VanDerWaalsContact O-N 3.11Å; E13-G16 PolarHBondContact O-N 3.49Å; G16-L20 WeakPolarHBondContact O-CB 2.91Å; G16-L20 WeakPolarHBondContact O-CD1 3.04Å; G16-L20 WeakPolarHBondContact O-CG 3.43Å; G16-L20 PolarHBondContact O-N 2.83Å |
| 17 | Y | 49.3 | Very low | 48 | Very low | 136 Ų | 136 | 96.5 Ų | 96.5 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 175.5 | -172.4 | -93.2 | 0 | 0 | 0 | 112.5 | E13 L14 M15 H19 L20 Q21 | E13-Y17 PolarHBondContact O-N 3.35Å; L14-Y17 WeakPolarHBondContact O-CB 3.38Å; L14-Y17 PolarHBondContact O-N 3.03Å; M15-Y17 VanDerWaalsContact C-N 3.26Å; M15-Y17 PolarHBondContact O-N 2.64Å; Y17-H19 PolarHBondContact O-N 3.28Å; Y17-L20 PolarHBondContact O-N 2.88Å; Y17-Q21 HydrophobicContact CD1-CB 4.45Å; Y17-Q21 HydrophobicContact CD1-CG 4.3Å; Y17-Q21 HydrophobicContact CD2-CG 3.71Å; Y17-Q21 HydrophobicContact CE1-CB 4.27Å; Y17-Q21 HydrophobicContact CE1-CG 4.17Å; Y17-Q21 HydrophobicContact CE2-CG 3.56Å; Y17-Q21 HydrophobicContact CG-CG 4.08Å; Y17-Q21 WeakPolarHBondContact O-CB 3.36Å; Y17-Q21 WeakPolarHBondContact O-CG 3.3Å; Y17-Q21 PolarHBondContact O-N 3.41Å |
| 18 | V | 52 | Low | 48.8 | Very low | 16 Ų | 16 | 94.6 Ų | 94.6 | 10% | 0.097 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | L14 M15 K22 V24 V29 | L14-V18 VanDerWaalsContact O-CG2 3.32Å; L14-V18 WeakPolarHBondContact O-CG2 3.3Å; L14-V18 PolarHBondContact O-N 2.82Å; M15-V18 PolarHBondContact O-N 3.43Å; V18-K22 WeakPolarHBondContact O-CB 3.44Å; V18-K22 PolarHBondContact O-N 2.89Å; V18-K22 VanDerWaalsContact O-N 3.17Å; V18-V24 HydrophobicContact CG1-CB 4.2Å; V18-V24 HydrophobicContact CG1-CG2 4.01Å; V18-V29 HydrophobicContact CG1-CG2 4.36Å |
| 19 | H | 49.3 | Very low | 49.4 | Very low | 71 Ų | 71 | 88.7 Ų | 88.7 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 177.7 | -177 | 48.8 | 0 | 0 | 0 | 112 | M15 Y17 K23 V24 V29 | M15-H19 WeakPolarHBondContact O-CB 3.36Å; M15-H19 PolarHBondContact O-N 2.74Å; Y17-H19 PolarHBondContact O-N 3.28Å; H19-K23 WeakPolarHBondContact O-CA 3.14Å; H19-K23 PolarHBondContact O-N 2.91Å; H19-V24 PolarHBondContact ND1-O 3.26Å; H19-V29 HydrophobicContact CB-CG2 4.11Å |
| 20 | L | 44 | Very low | 50 | Low | 136 Ų | 136 | 85.8 Ų | 85.8 | 71% | 0.712 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -82 | -38.6 | -172.5 | -66.9 | 169.5 | 0 | 0 | 0 | 113.3 | G16 Y17 | G16-L20 WeakPolarHBondContact O-CB 2.91Å; G16-L20 WeakPolarHBondContact O-CD1 3.04Å; G16-L20 WeakPolarHBondContact O-CG 3.43Å; G16-L20 PolarHBondContact O-N 2.83Å; Y17-L20 PolarHBondContact O-N 2.88Å |
| 21 | Q | 49 | Very low | 50 | Low | 126 Ų | 126 | 84.3 Ų | 84.3 | 59% | 0.589 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -88.1 | -39.7 | -175.1 | -68 | -91.7 | 3.4 | 0 | 0 | 112.8 | Y17 | Y17-Q21 HydrophobicContact CD1-CB 4.45Å; Y17-Q21 HydrophobicContact CD1-CG 4.3Å; Y17-Q21 HydrophobicContact CD2-CG 3.71Å; Y17-Q21 HydrophobicContact CE1-CB 4.27Å; Y17-Q21 HydrophobicContact CE1-CG 4.17Å; Y17-Q21 HydrophobicContact CE2-CG 3.56Å; Y17-Q21 HydrophobicContact CG-CG 4.08Å; Y17-Q21 WeakPolarHBondContact O-CB 3.36Å; Y17-Q21 WeakPolarHBondContact O-CG 3.3Å; Y17-Q21 PolarHBondContact O-N 3.41Å |
| 22 | K | 48.9 | Very low | 50.3 | Low | 147 Ų | 147 | 82.9 Ų | 82.9 | 64% | 0.639 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -96.5 | 1.8 | -177 | -64.9 | -75.1 | -172.2 | 161.2 | 0 | 113.1 | V18 V24 | V18-K22 WeakPolarHBondContact O-CB 3.44Å; V18-K22 PolarHBondContact O-N 2.89Å; V18-K22 VanDerWaalsContact O-N 3.17Å; K22-V24 HydrophobicContact CB-CG2 3.82Å; K22-V24 PolarHBondContact O-N 3.44Å; K22-V24 VanDerWaalsContact O-N 3.09Å |
| 23 | K | 55.5 | Low | 50.7 | Low | 185 Ų | 185 | 83 Ų | 83 | 80% | 0.804 | 42% | 0.422 | S | S | * | . | trans | 52.8 | 26.4 | -177 | -60.1 | -178.2 | 179.1 | 177.4 | 0 | 113.3 | H19 P25 | H19-K23 WeakPolarHBondContact O-CA 3.14Å; H19-K23 PolarHBondContact O-N 2.91Å; K23-P25 WeakPolarHBondContact O-CD 3.39Å | ||
| 24 | V | 51.8 | Low | 50.7 | Low | 37 Ų | 37 | 81 Ų | 81 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | trans | -67.4 | 125.7 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | V18 H19 K22 K26 H28 V29 | V18-V24 HydrophobicContact CG1-CB 4.2Å; V18-V24 HydrophobicContact CG1-CG2 4.01Å; H19-V24 PolarHBondContact ND1-O 3.26Å; K22-V24 HydrophobicContact CB-CG2 3.82Å; K22-V24 PolarHBondContact O-N 3.44Å; K22-V24 VanDerWaalsContact O-N 3.09Å; V24-K26 PolarHBondContact O-N 3.1Å; V24-H28 HydrophobicContact CG1-CB 3.69Å; V24-V29 HydrophobicContact CB-CG2 4.09Å; V24-V29 HydrophobicContact CG1-CG2 3.78Å | ||
| 25 | P | 53.3 | Low | 50.6 | Low | 73 Ų | 73 | 79.6 Ų | 79.6 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | trans | -55.9 | 141.3 | -179.9 | -24.9 | 33.4 | 0 | 0 | 0 | 111.3 | K23 A27 H28 V29 | K23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-A27 PolarHBondContact O-N 3.45Å; P25-H28 WeakPolarHBondContact O-CB 3.42Å; P25-H28 PolarHBondContact O-N 2.84Å; P25-V29 PolarHBondContact O-N 3.18Å | ||
| 26 | K | 52.5 | Low | 50.6 | Low | 141 Ų | 141 | 79.6 Ų | 79.6 | 61% | 0.613 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -55.5 | -31.4 | -174.7 | -165.2 | 172.4 | -179.3 | 176.9 | 0 | 113.2 | V24 H28 V29 N30 | V24-K26 PolarHBondContact O-N 3.1Å; K26-H28 VanDerWaalsContact C-N 3.34Å; K26-H28 PolarHBondContact O-N 3.09Å; K26-V29 PolarHBondContact O-N 3.04Å; K26-N30 PolarHBondContact O-N 3.46Å; K26-N30 VanDerWaalsContact O-N 3.1Å |
| 27 | A | 49.4 | Very low | 50.4 | Low | 63 Ų | 63 | 84 Ų | 84 | 52% | 0.521 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P25 N30 S31 | P25-A27 PolarHBondContact O-N 3.45Å; A27-N30 PolarHBondContact O-N 2.95Å; A27-S31 PolarHBondContact O-N 3.28Å; A27-S31 VanDerWaalsContact O-N 3.09Å; A27-S31 PolarHBondContact O-OG 3.49Å |
| 28 | H | 49.1 | Very low | 49.9 | Very low | 106 Ų | 106 | 78.9 Ų | 78.9 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -77.5 | -31.2 | -178.7 | -64.7 | -131.9 | 0 | 0 | 0 | 111.2 | V24 P25 K26 S31 L32 | V24-H28 HydrophobicContact CG1-CB 3.69Å; P25-H28 WeakPolarHBondContact O-CB 3.42Å; P25-H28 PolarHBondContact O-N 2.84Å; K26-H28 VanDerWaalsContact C-N 3.34Å; K26-H28 PolarHBondContact O-N 3.09Å; H28-S31 PolarHBondContact O-N 3.22Å; H28-L32 PolarHBondContact O-N 2.93Å |
| 29 | V | 51.8 | Low | 49.3 | Very low | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.03 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 171.8 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | M15 V18 H19 V24 P25 K26 S31 L32 L33 | M15-V29 HydrophobicContact CB-CG1 3.82Å; M15-V29 HydrophobicContact CE-CG1 4.17Å; M15-V29 HydrophobicContact CG-CG1 3.82Å; V18-V29 HydrophobicContact CG1-CG2 4.36Å; H19-V29 HydrophobicContact CB-CG2 4.11Å; V24-V29 HydrophobicContact CB-CG2 4.09Å; V24-V29 HydrophobicContact CG1-CG2 3.78Å; P25-V29 PolarHBondContact O-N 3.18Å; K26-V29 PolarHBondContact O-N 3.04Å; V29-S31 VanDerWaalsContact C-N 3.34Å; V29-L32 WeakPolarHBondContact O-CB 3.29Å; V29-L32 PolarHBondContact O-N 3.32Å; V29-L33 PolarHBondContact O-N 2.92Å |
| 30 | N | 50.6 | Low | 49 | Very low | 76 Ų | 76 | 83.5 Ų | 83.5 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 172.3 | -77.5 | -4.9 | 0 | 0 | 0 | 112.1 | K26 A27 L32 L33 I34 | K26-N30 PolarHBondContact O-N 3.46Å; K26-N30 VanDerWaalsContact O-N 3.1Å; A27-N30 PolarHBondContact O-N 2.95Å; N30-L32 VanDerWaalsContact C-N 3.32Å; N30-L33 VanDerWaalsContact O-CB 3.3Å; N30-L33 WeakPolarHBondContact O-CB 3.49Å; N30-L33 PolarHBondContact O-N 2.8Å; N30-I34 WeakPolarHBondContact O-CG1 3.36Å; N30-I34 PolarHBondContact O-N 3.16Å |
| 31 | S | 47.5 | Very low | 48.6 | Very low | 65 Ų | 65 | 83.1 Ų | 83.1 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 172 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | A27 H28 V29 I34 L35 | A27-S31 PolarHBondContact O-N 3.28Å; A27-S31 VanDerWaalsContact O-N 3.09Å; A27-S31 PolarHBondContact O-OG 3.49Å; H28-S31 PolarHBondContact O-N 3.22Å; V29-S31 VanDerWaalsContact C-N 3.34Å; S31-I34 PolarHBondContact O-N 3.39Å; S31-L35 WeakPolarHBondContact O-CB 3.3Å; S31-L35 PolarHBondContact O-N 3.21Å |
| 32 | L | 55.3 | Low | 48 | Very low | 22 Ų | 22 | 87.5 Ų | 87.5 | 12% | 0.115 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 174.7 | -156.4 | 87.1 | 0 | 0 | 0 | 111.9 | H28 V29 N30 L35 I36 F58 V62 | H28-L32 PolarHBondContact O-N 2.93Å; V29-L32 WeakPolarHBondContact O-CB 3.29Å; V29-L32 PolarHBondContact O-N 3.32Å; N30-L32 VanDerWaalsContact C-N 3.32Å; L32-L35 CarbonylContact O-C 3.31Å; L32-L35 PolarHBondContact O-N 3.4Å; L32-I36 HydrophobicContact CD2-CD1 4.15Å; L32-I36 HydrophobicContact CG-CD1 4.16Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; L32-I36 PolarHBondContact O-N 3.2Å; L32-F58 HydrophobicContact CD1-CE2 4.04Å; L32-F58 HydrophobicContact CD1-CZ 4.36Å; L32-V62 HydrophobicContact CD1-CG2 4.03Å |
| 33 | L | 52 | Low | 47.5 | Very low | 54 Ų | 54 | 84.3 Ų | 84.3 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.7 | -52.6 | 172 | -102.3 | 173.2 | 0 | 0 | 0 | 111.4 | L11 M15 V29 N30 L35 I36 D37 | L11-L33 HydrophobicContact CD2-CD2 4.22Å; M15-L33 HydrophobicContact CE-CD1 3.25Å; M15-L33 HydrophobicContact CE-CG 3.92Å; M15-L33 HydrophobicContact CG-CG 4.2Å; M15-L33 HydrophobicContact SD-CD1 3.3Å; M15-L33 WeakPolarHBondContact SD-CD1 3.3Å; M15-L33 HydrophobicContact SD-CD2 3.49Å; M15-L33 WeakPolarHBondContact SD-CD2 3.25Å; M15-L33 HydrophobicContact SD-CG 3.29Å; M15-L33 WeakPolarHBondContact SD-CG 3.45Å; V29-L33 PolarHBondContact O-N 2.92Å; N30-L33 VanDerWaalsContact O-CB 3.3Å; N30-L33 WeakPolarHBondContact O-CB 3.49Å; N30-L33 PolarHBondContact O-N 2.8Å; L33-L35 PolarHBondContact O-N 3.47Å; L33-I36 PolarHBondContact O-N 2.83Å; L33-D37 VanDerWaalsContact O-CB 3.25Å; L33-D37 WeakPolarHBondContact O-CB 3.47Å; L33-D37 PolarHBondContact O-N 3.28Å |
| 34 | I | 48.8 | Very low | 46.8 | Very low | 113 Ų | 113 | 81 Ų | 81 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.3 | -43.8 | 175.6 | -66.5 | 166.1 | 0 | 0 | 0 | 108.1 | N30 S31 I36 T38 | N30-I34 WeakPolarHBondContact O-CG1 3.36Å; N30-I34 PolarHBondContact O-N 3.16Å; S31-I34 PolarHBondContact O-N 3.39Å; I34-I36 PolarHBondContact O-N 3.17Å; I34-T38 WeakPolarHBondContact O-CA 3.33Å; I34-T38 WeakPolarHBondContact O-CB 3.48Å; I34-T38 PolarHBondContact O-N 3.43Å; I34-T38 PolarHBondContact O-OG1 3.11Å |
| 35 | L | 49.3 | Very low | 46.4 | Very low | 26 Ų | 26 | 85 Ų | 85 | 14% | 0.136 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | -179.8 | -148 | 101.4 | 0 | 0 | 0 | 113.7 | S31 L32 L33 T38 L39 V46 F58 V62 | S31-L35 WeakPolarHBondContact O-CB 3.3Å; S31-L35 PolarHBondContact O-N 3.21Å; L32-L35 CarbonylContact O-C 3.31Å; L32-L35 PolarHBondContact O-N 3.4Å; L33-L35 PolarHBondContact O-N 3.47Å; L35-T38 CarbonylContact O-C 3.55Å; L35-T38 VanDerWaalsContact O-C 3.31Å; L35-L39 HydrophobicContact CD2-CD1 3.67Å; L35-L39 HydrophobicContact CD2-CG 4.36Å; L35-L39 HydrophobicContact CG-CD1 4.24Å; L35-L39 HydrophobicContact CG-CG 4.48Å; L35-L39 WeakPolarHBondContact O-CA 3.08Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 WeakPolarHBondContact O-CD1 3.13Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 3.18Å; L35-V46 HydrophobicContact CD1-CG2 3.32Å; L35-F58 HydrophobicContact CD1-CE1 4.22Å; L35-F58 HydrophobicContact CD1-CZ 4.04Å; L35-F58 HydrophobicContact CD2-CE1 3.8Å; L35-F58 HydrophobicContact CD2-CZ 3.77Å; L35-F58 HydrophobicContact CG-CZ 4.35Å; L35-V62 HydrophobicContact CD2-CG2 4.42Å |
| 36 | I | 52.8 | Low | 45.8 | Very low | 44 Ų | 44 | 83.5 Ų | 83.5 | 23% | 0.226 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -74.7 | -43.4 | 179 | -69 | 165.7 | 0 | 0 | 0 | 110.6 | L11 L32 L33 I34 T38 L39 S40 | L11-I36 HydrophobicContact CD1-CG2 4.13Å; L11-I36 HydrophobicContact CD2-CB 4.46Å; L11-I36 HydrophobicContact CD2-CD1 3.97Å; L11-I36 HydrophobicContact CD2-CG2 4.06Å; L32-I36 HydrophobicContact CD2-CD1 4.15Å; L32-I36 HydrophobicContact CG-CD1 4.16Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; L32-I36 PolarHBondContact O-N 3.2Å; L33-I36 PolarHBondContact O-N 2.83Å; I34-I36 PolarHBondContact O-N 3.17Å; I36-T38 PolarHBondContact O-N 2.8Å; I36-L39 PolarHBondContact O-N 2.99Å; I36-S40 PolarHBondContact O-N 3.07Å |
| 37 | D | 46.9 | Very low | 45.1 | Very low | 123 Ų | 123 | 84 Ų | 84 | 66% | 0.658 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.2 | -35.8 | 174.4 | -146.3 | 30.9 | 0 | 0 | 0 | 110.4 | L33 S40 | L33-D37 VanDerWaalsContact O-CB 3.25Å; L33-D37 WeakPolarHBondContact O-CB 3.47Å; L33-D37 PolarHBondContact O-N 3.28Å; D37-S40 WeakPolarHBondContact O-CB 3.49Å |
| 38 | T | 37.8 | Very low | 44.7 | Very low | 27 Ų | 27 | 88 Ų | 88 | 17% | 0.166 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -83.8 | -10.5 | 172.3 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | I34 L35 I36 S40 I41 R42 I44 | I34-T38 WeakPolarHBondContact O-CA 3.33Å; I34-T38 WeakPolarHBondContact O-CB 3.48Å; I34-T38 PolarHBondContact O-N 3.43Å; I34-T38 PolarHBondContact O-OG1 3.11Å; L35-T38 CarbonylContact O-C 3.55Å; L35-T38 VanDerWaalsContact O-C 3.31Å; I36-T38 PolarHBondContact O-N 2.8Å; T38-S40 VanDerWaalsContact C-N 3.32Å; T38-I41 VanDerWaalsContact CG2-O 3.3Å; T38-I41 WeakPolarHBondContact CG2-O 3.32Å; T38-I41 CarbonylContact O-C 3.17Å; T38-I41 WeakPolarHBondContact O-CA 3.28Å; T38-I41 PolarHBondContact O-N 3.4Å; T38-R42 WeakPolarHBondContact CG2-O 3.29Å; T38-R42 CarbonylContact O-C 2.61Å; T38-R42 WeakPolarHBondContact O-CA 3.26Å; T38-R42 PolarHBondContact O-N 2.92Å; T38-I44 HydrophobicContact CG2-CB 4.29Å; T38-I44 HydrophobicContact CG2-CD1 3.56Å; T38-I44 HydrophobicContact CG2-CG1 3.64Å |
| 39 | L | 40.7 | Very low | 44.4 | Very low | 79 Ų | 79 | 88.8 Ų | 88.8 | 41% | 0.414 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -85.3 | -15.7 | 169.9 | -83.8 | 165.7 | 0 | 0 | 0 | 110.6 | L35 I36 A43 | L35-L39 HydrophobicContact CD2-CD1 3.67Å; L35-L39 HydrophobicContact CD2-CG 4.36Å; L35-L39 HydrophobicContact CG-CD1 4.24Å; L35-L39 HydrophobicContact CG-CG 4.48Å; L35-L39 WeakPolarHBondContact O-CA 3.08Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 WeakPolarHBondContact O-CD1 3.13Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 3.18Å; I36-L39 PolarHBondContact O-N 2.99Å; L39-A43 HydrophobicContact CD2-CB 3.94Å |
| 40 | S | 42.7 | Very low | 44.1 | Very low | 106 Ų | 106 | 90.6 Ų | 90.6 | 74% | 0.741 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.1 | 152.3 | -69.5 | 0 | 0 | 0 | 0 | 113 | I36 D37 T38 | I36-S40 PolarHBondContact O-N 3.07Å; D37-S40 WeakPolarHBondContact O-CB 3.49Å; T38-S40 VanDerWaalsContact C-N 3.32Å |
| 41 | I | 35 | Very low | 44.1 | Very low | 128 Ų | 128 | 89.6 Ų | 89.6 | 66% | 0.656 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | 58.4 | 178 | -51 | -176.3 | 0 | 0 | 0 | 111.1 | T38 | T38-I41 VanDerWaalsContact CG2-O 3.3Å; T38-I41 WeakPolarHBondContact CG2-O 3.32Å; T38-I41 CarbonylContact O-C 3.17Å; T38-I41 WeakPolarHBondContact O-CA 3.28Å; T38-I41 PolarHBondContact O-N 3.4Å |
| 42 | R | 35.6 | Very low | 44.5 | Very low | 217 Ų | 217 | 94.6 Ų | 94.6 | 82% | 0.819 | 51% | 0.506 | S | S | * | . | trans | 60.4 | 121.3 | 174 | -58.4 | 176.1 | 179 | -172.3 | -2.1 | 116.7 | T38 I44 | T38-R42 WeakPolarHBondContact CG2-O 3.29Å; T38-R42 CarbonylContact O-C 2.61Å; T38-R42 WeakPolarHBondContact O-CA 3.26Å; T38-R42 PolarHBondContact O-N 2.92Å; R42-I44 WeakPolarHBondContact O-CG1 3.37Å; R42-I44 PolarHBondContact O-N 3.37Å | ||
| 43 | A | 38.8 | Very low | 44.3 | Very low | 80 Ų | 80 | 97.4 Ų | 97.4 | 66% | 0.661 | 53% | 0.527 | S | S | * | . | trans | -34.9 | 103 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L39 | L39-A43 HydrophobicContact CD2-CB 3.94Š| ||
| 44 | I | 41.3 | Very low | 44.3 | Very low | 117 Ų | 117 | 98.1 Ų | 98.1 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | trans | -90.1 | 136.3 | 173.9 | -67.3 | -176.9 | 0 | 0 | 0 | 107.8 | T38 R42 V46 | T38-I44 HydrophobicContact CG2-CB 4.29Å; T38-I44 HydrophobicContact CG2-CD1 3.56Å; T38-I44 HydrophobicContact CG2-CG1 3.64Å; R42-I44 WeakPolarHBondContact O-CG1 3.37Å; R42-I44 PolarHBondContact O-N 3.37Å; I44-V46 WeakPolarHBondContact O-CG2 3.37Å; I44-V46 PolarHBondContact O-N 2.87Å | ||
| 45 | D | 43.6 | Very low | 44.4 | Very low | 120 Ų | 120 | 94 Ų | 94 | 64% | 0.642 | 51% | 0.51 | S | S | * | . | trans | -41.2 | 93.9 | 178.1 | -89.9 | -47.6 | 0 | 0 | 0 | 113.6 | K47 | D45-K47 PolarHBondContact O-N 3.46Š| ||
| 46 | V | 40.1 | Very low | 44.8 | Very low | 41 Ų | 41 | 100 Ų | 100 | 25% | 0.248 | 54% | 0.537 | C | S | . | . | trans | -78.6 | -7.4 | 165.3 | -159.2 | 0 | 0 | 0 | 0 | 110.8 | L35 I44 D48 T49 L50 F58 | L35-V46 HydrophobicContact CD1-CG2 3.32Å; I44-V46 WeakPolarHBondContact O-CG2 3.37Å; I44-V46 PolarHBondContact O-N 2.87Å; V46-D48 VanDerWaalsContact C-N 3.27Å; V46-D48 PolarHBondContact O-N 2.89Å; V46-T49 PolarHBondContact O-N 3.34Å; V46-L50 HydrophobicContact CG1-CD1 3.4Å; V46-L50 VanDerWaalsContact CG1-CD1 3.4Å; V46-L50 HydrophobicContact CG1-CG 3.88Å; V46-L50 PolarHBondContact O-N 3.28Å; V46-F58 HydrophobicContact CG2-CE1 4.18Å | ||
| 47 | K | 37.9 | Very low | 44.9 | Very low | 151 Ų | 151 | 104.4 Ų | 104.4 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -31.7 | -178 | -103.5 | -175 | 173 | -169.7 | 0 | 114.3 | D45 I55 | D45-K47 PolarHBondContact O-N 3.46Å; K47-I55 HydrophobicContact CB-CD1 4.44Å; K47-I55 HydrophobicContact CG-CD1 3.91Å |
| 48 | D | 41.4 | Very low | 45.2 | Very low | 149 Ų | 149 | 100.3 Ų | 100.3 | 80% | 0.797 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.3 | -175.3 | -71.8 | -15.5 | 0 | 0 | 0 | 113.5 | V46 | V46-D48 VanDerWaalsContact C-N 3.27Å; V46-D48 PolarHBondContact O-N 2.89Å |
| 49 | T | 43.5 | Very low | 46.1 | Very low | 121 Ų | 121 | 103 Ų | 103 | 74% | 0.742 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -16.3 | -173.1 | -34.8 | 0 | 0 | 0 | 0 | 113.6 | V46 | V46-T49 PolarHBondContact O-N 3.34Š|
| 50 | L | 44.7 | Very low | 47.1 | Very low | 43 Ų | 43 | 101.9 Ų | 101.9 | 23% | 0.225 | 55% | 0.546 | C | S | . | . | S | Bend | trans | -114.1 | 141.6 | -178.7 | -71.5 | 178.8 | 0 | 0 | 0 | 110.2 | V46 D54 I55 F58 | V46-L50 HydrophobicContact CG1-CD1 3.4Å; V46-L50 VanDerWaalsContact CG1-CD1 3.4Å; V46-L50 HydrophobicContact CG1-CG 3.88Å; V46-L50 PolarHBondContact O-N 3.28Å; L50-D54 HydrophobicContact CB-CB 4.14Å; L50-D54 HydrophobicContact CD2-CB 4.1Å; L50-I55 HydrophobicContact CB-CD1 4.35Å; L50-I55 HydrophobicContact CB-CG1 3.59Å; L50-I55 HydrophobicContact CD1-CG1 4.39Å; L50-F58 HydrophobicContact CD1-CB 4.12Å; L50-F58 HydrophobicContact CD1-CD2 4.46Å; L50-F58 HydrophobicContact CD1-CG 4.18Å |
| 51 | A | 51.6 | Low | 47.7 | Very low | 55 Ų | 55 | 99.4 Ų | 99.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | trans | -62.1 | 150.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | S53 D54 I55 | A51-S53 PolarHBondContact O-N 3.42Å; A51-S53 VanDerWaalsContact O-N 3.07Å; A51-D54 WeakPolarHBondContact O-CA 3.43Å; A51-D54 WeakPolarHBondContact O-CB 3.34Å; A51-D54 PolarHBondContact O-N 2.96Å; A51-I55 PolarHBondContact O-N 2.87Å | ||
| 52 | E | 55 | Low | 48.9 | Very low | 171 Ų | 171 | 94.4 Ų | 94.4 | 80% | 0.799 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -52.5 | -35.1 | -176.6 | -89.5 | 178.8 | 152.5 | 0 | 0 | 113.8 | D54 I55 E56 | E52-D54 VanDerWaalsContact C-N 3.33Å; E52-D54 PolarHBondContact O-N 3.38Å; E52-I55 PolarHBondContact O-N 2.88Å; E52-E56 PolarHBondContact O-N 3.46Å |
| 53 | S | 51.6 | Low | 50 | Low | 80 Ų | 80 | 90.7 Ų | 90.7 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.8 | -38.4 | 174.3 | 53 | 0 | 0 | 0 | 0 | 113.2 | A51 I55 E56 E57 | A51-S53 PolarHBondContact O-N 3.42Å; A51-S53 VanDerWaalsContact O-N 3.07Å; S53-I55 VanDerWaalsContact C-N 3.29Å; S53-E56 PolarHBondContact O-N 2.97Å; S53-E57 PolarHBondContact O-N 3.43Å |
| 54 | D | 50.4 | Low | 50.9 | Low | 69 Ų | 69 | 92.5 Ų | 92.5 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.4 | -22.1 | -175.4 | -53 | -16.6 | 0 | 0 | 0 | 110.6 | L50 A51 E52 F58 | L50-D54 HydrophobicContact CB-CB 4.14Å; L50-D54 HydrophobicContact CD2-CB 4.1Å; A51-D54 WeakPolarHBondContact O-CA 3.43Å; A51-D54 WeakPolarHBondContact O-CB 3.34Å; A51-D54 PolarHBondContact O-N 2.96Å; E52-D54 VanDerWaalsContact C-N 3.33Å; E52-D54 PolarHBondContact O-N 3.38Å; D54-F58 WeakPolarHBondContact O-CB 3.16Å; D54-F58 PolarHBondContact O-N 3.41Å |
| 55 | I | 51.9 | Low | 51.4 | Low | 27 Ų | 27 | 88.2 Ų | 88.2 | 14% | 0.138 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -72 | -42.4 | 174.3 | -63.6 | 171.9 | 0 | 0 | 0 | 110.9 | K47 L50 A51 E52 S53 F58 N59 | K47-I55 HydrophobicContact CB-CD1 4.44Å; K47-I55 HydrophobicContact CG-CD1 3.91Å; L50-I55 HydrophobicContact CB-CD1 4.35Å; L50-I55 HydrophobicContact CB-CG1 3.59Å; L50-I55 HydrophobicContact CD1-CG1 4.39Å; A51-I55 PolarHBondContact O-N 2.87Å; E52-I55 PolarHBondContact O-N 2.88Å; S53-I55 VanDerWaalsContact C-N 3.29Å; I55-F58 PolarHBondContact O-N 3.5Å; I55-N59 WeakPolarHBondContact O-CB 3.45Å; I55-N59 PolarHBondContact O-N 2.88Å; I55-N59 PolarHBondContact O-ND2 3.33Å; I55-N59 VanDerWaalsContact O-ND2 3.16Å |
| 56 | E | 56.8 | Low | 51.9 | Low | 152 Ų | 152 | 86.6 Ų | 86.6 | 71% | 0.71 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.6 | -44.2 | 176.5 | -72.3 | -172.6 | 166.7 | 0 | 0 | 111.2 | E52 S53 N59 S60 | E52-E56 PolarHBondContact O-N 3.46Å; S53-E56 PolarHBondContact O-N 2.97Å; E56-N59 PolarHBondContact O-N 3.3Å; E56-S60 WeakPolarHBondContact O-CB 3.42Å; E56-S60 PolarHBondContact O-N 2.94Å |
| 57 | E | 55.6 | Low | 52.7 | Low | 136 Ų | 136 | 86.7 Ų | 86.7 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 175.6 | -169.1 | 173.3 | 178.7 | 0 | 0 | 111.4 | S53 S60 V61 | S53-E57 PolarHBondContact O-N 3.43Å; E57-S60 PolarHBondContact O-N 2.86Å; E57-V61 VanDerWaalsContact O-CG2 3.28Å; E57-V61 WeakPolarHBondContact O-CG2 3.37Å; E57-V61 PolarHBondContact O-N 3.33Å |
| 58 | F | 53.3 | Low | 53.3 | Low | 37 Ų | 37 | 81.6 Ų | 81.6 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.9 | -177.6 | -98.4 | 0 | 0 | 0 | 112.5 | L32 L35 V46 L50 D54 I55 S60 V61 V62 | L32-F58 HydrophobicContact CD1-CE2 4.04Å; L32-F58 HydrophobicContact CD1-CZ 4.36Å; L35-F58 HydrophobicContact CD1-CE1 4.22Å; L35-F58 HydrophobicContact CD1-CZ 4.04Å; L35-F58 HydrophobicContact CD2-CE1 3.8Å; L35-F58 HydrophobicContact CD2-CZ 3.77Å; L35-F58 HydrophobicContact CG-CZ 4.35Å; V46-F58 HydrophobicContact CG2-CE1 4.18Å; L50-F58 HydrophobicContact CD1-CB 4.12Å; L50-F58 HydrophobicContact CD1-CD2 4.46Å; L50-F58 HydrophobicContact CD1-CG 4.18Å; D54-F58 WeakPolarHBondContact O-CB 3.16Å; D54-F58 PolarHBondContact O-N 3.41Å; I55-F58 PolarHBondContact O-N 3.5Å; F58-S60 VanDerWaalsContact C-N 3.33Å; F58-S60 PolarHBondContact O-N 3.03Å; F58-V61 PolarHBondContact O-N 3.39Å; F58-V62 HydrophobicContact CD1-CG2 4.11Å; F58-V62 HydrophobicContact CE1-CG2 3.8Å; F58-V62 HydrophobicContact CE2-CG2 4.35Å; F58-V62 HydrophobicContact CZ-CG2 3.94Å; F58-V62 WeakPolarHBondContact O-CB 3.2Å; F58-V62 VanDerWaalsContact O-CG2 3.29Å; F58-V62 WeakPolarHBondContact O-CG2 3.16Å; F58-V62 PolarHBondContact O-N 2.82Å |
| 59 | N | 55.9 | Low | 53.6 | Low | 83 Ų | 83 | 77 Ų | 77 | 44% | 0.444 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.4 | -74.2 | -29.8 | 0 | 0 | 0 | 111.2 | I55 E56 V62 E63 | I55-N59 WeakPolarHBondContact O-CB 3.45Å; I55-N59 PolarHBondContact O-N 2.88Å; I55-N59 PolarHBondContact O-ND2 3.33Å; I55-N59 VanDerWaalsContact O-ND2 3.16Å; E56-N59 PolarHBondContact O-N 3.3Å; N59-V62 PolarHBondContact O-N 3.09Å; N59-E63 WeakPolarHBondContact O-CB 3.32Å; N59-E63 WeakPolarHBondContact O-CG 3.43Å; N59-E63 PolarHBondContact O-N 3.17Å |
| 60 | S | 62.5 | Low | 53.9 | Low | 57 Ų | 57 | 80.5 Ų | 80.5 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.8 | 180 | 0 | 0 | 0 | 0 | 111.9 | E56 E57 F58 E63 E64 | E56-S60 WeakPolarHBondContact O-CB 3.42Å; E56-S60 PolarHBondContact O-N 2.94Å; E57-S60 PolarHBondContact O-N 2.86Å; F58-S60 VanDerWaalsContact C-N 3.33Å; F58-S60 PolarHBondContact O-N 3.03Å; S60-E63 PolarHBondContact O-N 3.27Å; S60-E64 WeakPolarHBondContact O-CB 3.46Å; S60-E64 WeakPolarHBondContact O-CG 3.26Å; S60-E64 PolarHBondContact O-N 3.24Å |
| 61 | V | 56 | Low | 53.9 | Low | 54 Ų | 54 | 86.5 Ų | 86.5 | 33% | 0.327 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 177 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | E57 F58 E64 V65 | E57-V61 VanDerWaalsContact O-CG2 3.28Å; E57-V61 WeakPolarHBondContact O-CG2 3.37Å; E57-V61 PolarHBondContact O-N 3.33Å; F58-V61 PolarHBondContact O-N 3.39Å; V61-E64 PolarHBondContact O-N 3.49Å; V61-V65 HydrophobicContact CG1-CG2 4.39Å; V61-V65 WeakPolarHBondContact O-CB 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.44Å; V61-V65 PolarHBondContact O-N 3.4Å |
| 62 | V | 59.8 | Low | 53.5 | Low | 22 Ų | 22 | 88.7 Ų | 88.7 | 13% | 0.133 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 111 | L32 L35 F58 N59 V65 L66 | L32-V62 HydrophobicContact CD1-CG2 4.03Å; L35-V62 HydrophobicContact CD2-CG2 4.42Å; F58-V62 HydrophobicContact CD1-CG2 4.11Å; F58-V62 HydrophobicContact CE1-CG2 3.8Å; F58-V62 HydrophobicContact CE2-CG2 4.35Å; F58-V62 HydrophobicContact CZ-CG2 3.94Å; F58-V62 WeakPolarHBondContact O-CB 3.2Å; F58-V62 VanDerWaalsContact O-CG2 3.29Å; F58-V62 WeakPolarHBondContact O-CG2 3.16Å; F58-V62 PolarHBondContact O-N 2.82Å; N59-V62 PolarHBondContact O-N 3.09Å; V62-V65 PolarHBondContact O-N 2.87Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.32Å; V62-L66 WeakPolarHBondContact O-CB 3.2Å; V62-L66 VanDerWaalsContact O-CG 3.26Å; V62-L66 WeakPolarHBondContact O-CG 3.41Å; V62-L66 PolarHBondContact O-N 3.45Å |
| 63 | E | 59 | Low | 52.7 | Low | 140 Ų | 140 | 83.6 Ų | 83.6 | 65% | 0.654 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 176.7 | -76.3 | -174.5 | 173.7 | 0 | 0 | 112.2 | N59 S60 L66 A67 | N59-E63 WeakPolarHBondContact O-CB 3.32Å; N59-E63 WeakPolarHBondContact O-CG 3.43Å; N59-E63 PolarHBondContact O-N 3.17Å; S60-E63 PolarHBondContact O-N 3.27Å; E63-L66 PolarHBondContact O-N 2.95Å; E63-A67 WeakPolarHBondContact O-CB 3.32Å; E63-A67 PolarHBondContact O-N 3.38Å |
| 64 | E | 56.7 | Low | 52.2 | Low | 117 Ų | 117 | 87 Ų | 87 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 175.6 | -78.7 | -172.8 | -178.2 | 0 | 0 | 112 | S60 V61 A67 A68 | S60-E64 WeakPolarHBondContact O-CB 3.46Å; S60-E64 WeakPolarHBondContact O-CG 3.26Å; S60-E64 PolarHBondContact O-N 3.24Å; V61-E64 PolarHBondContact O-N 3.49Å; E64-A67 PolarHBondContact O-N 2.88Å; E64-A68 WeakPolarHBondContact O-CB 3.4Å; E64-A68 PolarHBondContact O-N 3.44Å |
| 65 | V | 52.9 | Low | 51.9 | Low | 28 Ų | 28 | 88.5 Ų | 88.5 | 17% | 0.17 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 178.3 | 171 | 0 | 0 | 0 | 0 | 110.6 | L14 V61 V62 A67 A68 M69 | L14-V65 HydrophobicContact CD2-CG1 4.39Å; V61-V65 HydrophobicContact CG1-CG2 4.39Å; V61-V65 WeakPolarHBondContact O-CB 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.44Å; V61-V65 PolarHBondContact O-N 3.4Å; V62-V65 PolarHBondContact O-N 2.87Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-A67 PolarHBondContact O-N 3.32Å; V65-A68 PolarHBondContact O-N 3.45Å; V65-M69 HydrophobicContact CG1-CG 4.44Å; V65-M69 HydrophobicContact CG1-SD 4.13Å; V65-M69 WeakPolarHBondContact O-CB 3.4Å; V65-M69 VanDerWaalsContact O-CG 3.28Å; V65-M69 WeakPolarHBondContact O-CG 3.39Å; V65-M69 PolarHBondContact O-N 3.45Å |
| 66 | L | 54.2 | Low | 51.1 | Low | 85 Ų | 85 | 89.4 Ų | 89.4 | 45% | 0.445 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 176 | -71.9 | 173.7 | 0 | 0 | 0 | 112.2 | V62 E63 R70 | V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.32Å; V62-L66 WeakPolarHBondContact O-CB 3.2Å; V62-L66 VanDerWaalsContact O-CG 3.26Å; V62-L66 WeakPolarHBondContact O-CG 3.41Å; V62-L66 PolarHBondContact O-N 3.45Å; E63-L66 PolarHBondContact O-N 2.95Å; L66-R70 WeakPolarHBondContact O-CB 3.44Å; L66-R70 WeakPolarHBondContact O-CG 3.42Å; L66-R70 PolarHBondContact O-N 3.49Å |
| 67 | A | 55.7 | Low | 50.2 | Low | 43 Ų | 43 | 86.2 Ų | 86.2 | 36% | 0.355 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E63 E64 V65 R71 | E63-A67 WeakPolarHBondContact O-CB 3.32Å; E63-A67 PolarHBondContact O-N 3.38Å; E64-A67 PolarHBondContact O-N 2.88Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-A67 PolarHBondContact O-N 3.32Å; A67-R71 WeakPolarHBondContact O-CB 3.49Å; A67-R71 PolarHBondContact O-N 2.93Å; A67-R71 VanDerWaalsContact O-N 3.13Å |
| 68 | A | 50.8 | Low | 49.3 | Very low | 45 Ų | 45 | 88 Ų | 88 | 37% | 0.372 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.2 | -48.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | E64 V65 R70 R71 D72 | E64-A68 WeakPolarHBondContact O-CB 3.4Å; E64-A68 PolarHBondContact O-N 3.44Å; V65-A68 PolarHBondContact O-N 3.45Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 2.85Å; A68-R71 WeakPolarHBondContact O-CA 3.46Å; A68-R71 WeakPolarHBondContact O-CB 3.37Å; A68-R71 PolarHBondContact O-N 3.36Å; A68-D72 PolarHBondContact O-N 3Å |
| 69 | M | 48.1 | Very low | 48.2 | Very low | 52 Ų | 52 | 96.7 Ų | 96.7 | 26% | 0.256 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 175.7 | -71.8 | -178 | 77.5 | 0 | 0 | 112.1 | L14 V65 R71 D72 C73 | L14-M69 HydrophobicContact CD2-CE 4.39Å; L14-M69 HydrophobicContact CD2-CG 4.31Å; L14-M69 HydrophobicContact CD2-SD 3.87Å; V65-M69 HydrophobicContact CG1-CG 4.44Å; V65-M69 HydrophobicContact CG1-SD 4.13Å; V65-M69 WeakPolarHBondContact O-CB 3.4Å; V65-M69 VanDerWaalsContact O-CG 3.28Å; V65-M69 WeakPolarHBondContact O-CG 3.39Å; V65-M69 PolarHBondContact O-N 3.45Å; M69-R71 VanDerWaalsContact C-N 3.29Å; M69-R71 PolarHBondContact O-N 2.93Å; M69-D72 PolarHBondContact O-N 2.85Å; M69-C73 VanDerWaalsContact O-CB 3.26Å; M69-C73 WeakPolarHBondContact O-CB 3.16Å; M69-C73 PolarHBondContact O-N 3.35Å; M69-C73 PolarHBondContact O-SG 2.82Å |
| 70 | R | 49.7 | Very low | 47.2 | Very low | 194 Ų | 194 | 96.7 Ų | 96.7 | 73% | 0.732 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.7 | -37.4 | 174.2 | -81.3 | -176.6 | -178.5 | -168.4 | 3.1 | 112.5 | L66 A68 L74 | L66-R70 WeakPolarHBondContact O-CB 3.44Å; L66-R70 WeakPolarHBondContact O-CG 3.42Å; L66-R70 PolarHBondContact O-N 3.49Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 2.85Å; R70-L74 WeakPolarHBondContact O-CD1 3.37Å; R70-L74 WeakPolarHBondContact O-CG 3.45Å; R70-L74 PolarHBondContact O-N 3.23Å |
| 71 | R | 45 | Very low | 45.7 | Very low | 170 Ų | 170 | 99.8 Ų | 99.8 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.7 | -41.8 | -179.2 | -145.7 | 178.9 | -58.8 | -169.8 | 3.1 | 111 | A67 A68 M69 L74 T75 | A67-R71 WeakPolarHBondContact O-CB 3.49Å; A67-R71 PolarHBondContact O-N 2.93Å; A67-R71 VanDerWaalsContact O-N 3.13Å; A68-R71 WeakPolarHBondContact O-CA 3.46Å; A68-R71 WeakPolarHBondContact O-CB 3.37Å; A68-R71 PolarHBondContact O-N 3.36Å; M69-R71 VanDerWaalsContact C-N 3.29Å; M69-R71 PolarHBondContact O-N 2.93Å; R71-L74 PolarHBondContact O-N 3.21Å; R71-T75 WeakPolarHBondContact O-CG2 3.17Å; R71-T75 PolarHBondContact O-N 3.14Å; R71-T75 PolarHBondContact O-OG1 3.26Å |
| 72 | D | 42.8 | Very low | 44.4 | Very low | 100 Ų | 100 | 108.3 Ų | 108.3 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.8 | -35.1 | -178.6 | -68.8 | -15.3 | 0 | 0 | 0 | 112.2 | A68 M69 L74 T75 M76 | A68-D72 PolarHBondContact O-N 3Å; M69-D72 PolarHBondContact O-N 2.85Å; D72-L74 PolarHBondContact O-N 3.37Å; D72-T75 WeakPolarHBondContact CA-OG1 3.33Å; D72-T75 CarbonylContact O-C 3.54Å; D72-T75 PolarHBondContact O-N 2.8Å; D72-T75 VanDerWaalsContact O-N 3.14Å; D72-T75 PolarHBondContact O-OG1 2.87Å; D72-M76 WeakPolarHBondContact O-CB 3.42Å; D72-M76 PolarHBondContact O-N 3.36Å |
| 73 | C | 38.4 | Very low | 43.6 | Very low | 65 Ų | 65 | 112.7 Ų | 112.7 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -24.3 | 169.1 | -72.9 | 0 | 0 | 0 | 0 | 113.3 | M69 | M69-C73 VanDerWaalsContact O-CB 3.26Å; M69-C73 WeakPolarHBondContact O-CB 3.16Å; M69-C73 PolarHBondContact O-N 3.35Å; M69-C73 PolarHBondContact O-SG 2.82Å |
| 74 | L | 41 | Very low | 42.8 | Very low | 152 Ų | 152 | 111.2 Ų | 111.2 | 80% | 0.796 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -87.2 | -17.4 | 175.9 | -71.7 | 170.5 | 0 | 0 | 0 | 113 | R70 R71 D72 | R70-L74 WeakPolarHBondContact O-CD1 3.37Å; R70-L74 WeakPolarHBondContact O-CG 3.45Å; R70-L74 PolarHBondContact O-N 3.23Å; R71-L74 PolarHBondContact O-N 3.21Å; D72-L74 PolarHBondContact O-N 3.37Å |
| 75 | T | 43 | Very low | 42 | Very low | 99 Ų | 99 | 110.9 Ų | 110.9 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -106.8 | -4.8 | 177.5 | 58 | 0 | 0 | 0 | 0 | 112.8 | R71 D72 | R71-T75 WeakPolarHBondContact O-CG2 3.17Å; R71-T75 PolarHBondContact O-N 3.14Å; R71-T75 PolarHBondContact O-OG1 3.26Å; D72-T75 WeakPolarHBondContact CA-OG1 3.33Å; D72-T75 CarbonylContact O-C 3.54Å; D72-T75 PolarHBondContact O-N 2.8Å; D72-T75 VanDerWaalsContact O-N 3.14Å; D72-T75 PolarHBondContact O-OG1 2.87Å |
| 76 | M | 37 | Very low | 41.4 | Very low | 46 Ų | 46 | 115.8 Ų | 115.8 | 23% | 0.227 | 58% | 0.578 | C | S | . | * | S | Bend | trans | -60.9 | 124.3 | 175.1 | -121.3 | 168.3 | 84.3 | 0 | 0 | 110.3 | D72 Q78 V80 L81 | D72-M76 WeakPolarHBondContact O-CB 3.42Å; D72-M76 PolarHBondContact O-N 3.36Å; M76-Q78 PolarHBondContact O-N 3Å; M76-V80 HydrophobicContact CE-CB 3.74Å; M76-V80 HydrophobicContact CE-CG1 3.6Å; M76-L81 HydrophobicContact CE-CD2 3.72Å; M76-L81 HydrophobicContact CE-CG 3.99Å |
| 77 | P | 37.3 | Very low | 40.5 | Very low | 85 Ų | 85 | 117.7 Ų | 117.7 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | trans | -59.4 | 132.5 | 172.5 | -18.1 | 29.2 | 0 | 0 | 0 | 109.4 | R79 V80 | P77-R79 PolarHBondContact O-N 3.19Å; P77-V80 PolarHBondContact O-N 3.26Å | ||
| 78 | Q | 36.5 | Very low | 39.5 | Very low | 173 Ų | 173 | 122.7 Ų | 122.7 | 81% | 0.808 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -46.9 | -23 | -180 | -96.1 | 175.2 | -24.8 | 0 | 0 | 115 | M76 V80 L81 | M76-Q78 PolarHBondContact O-N 3Å; Q78-V80 VanDerWaalsContact C-N 3.27Å; Q78-V80 PolarHBondContact O-N 3.36Å; Q78-L81 PolarHBondContact O-N 3.13Å |
| 79 | R | 30.9 | Very low | 38.7 | Very low | 221 Ų | 221 | 128.2 Ų | 128.2 | 83% | 0.834 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -72.7 | -11.2 | -180 | -66.3 | -176.1 | 173.3 | 179.6 | -2.5 | 115.4 | P77 L81 | P77-R79 PolarHBondContact O-N 3.19Å; R79-L81 VanDerWaalsContact C-N 3.34Å |
| 80 | V | 33.8 | Very low | 38 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -90.3 | -7.8 | 175.7 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | M76 P77 Q78 | M76-V80 HydrophobicContact CE-CB 3.74Å; M76-V80 HydrophobicContact CE-CG1 3.6Å; P77-V80 PolarHBondContact O-N 3.26Å; Q78-V80 VanDerWaalsContact C-N 3.27Å; Q78-V80 PolarHBondContact O-N 3.36Å |
| 81 | L | 30.6 | Very low | 37 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | trans | -101 | 10.6 | 179.8 | -65.1 | 169 | 0 | 0 | 0 | 113.4 | M76 Q78 R79 | M76-L81 HydrophobicContact CE-CD2 3.72Å; M76-L81 HydrophobicContact CE-CG 3.99Å; Q78-L81 PolarHBondContact O-N 3.13Å; R79-L81 VanDerWaalsContact C-N 3.34Å | ||
| 82 | E | 28.2 | Very low | 36.3 | Very low | 233 Ų | 233 | 125.4 Ų | 125.4 | 100% | 1.089 | 64% | 0.639 | S | S | * | * | trans | -107.8 | 0 | 175.1 | -75.8 | -173.3 | 166.2 | 0 | 0 | 112.2 |
Retrieved 82 of 82 residues in 34.5 ms
(Link to these results)