| 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 | G | 31.9 | Very low | 42.8 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 100% | 1.309 | 82% | 0.815 | S | S | * | * | 0 | 129.6 | 0 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 2 | L | 35 | Very low | 43.7 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | 72.5 | 89.4 | 156.2 | -52.9 | 175.5 | 0 | 0 | 0 | 118 | ||||
| 3 | T | 42.9 | Very low | 44.7 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 69% | 0.693 | 81% | 0.805 | S | S | * | * | trans | -38.8 | 130.4 | 145.7 | -16.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | E | 40.8 | Very low | 45.7 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -123.2 | 105.3 | 150.7 | -78.3 | -165.5 | 157.3 | 0 | 0 | 108.8 | ||||
| 5 | E | 35.8 | Very low | 46.8 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -52.7 | 127.3 | -176.7 | -68.9 | -81.6 | 104.3 | 0 | 0 | 111.7 | G7 | E5-G7 PolarHBondContact O-N 3.46Š| ||
| 6 | Q | 40.6 | Very low | 48 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -65.1 | 78.5 | 163.2 | -68.4 | -178.3 | 2.6 | 0 | 0 | 109.6 | K8 | Q6-K8 PolarHBondContact O-N 2.88Š| ||
| 7 | G | 37.5 | Very low | 49.1 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | trans | -71.9 | 70.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E5 Q9 | E5-G7 PolarHBondContact O-N 3.46Å; G7-Q9 PolarHBondContact O-N 3.19Å | ||
| 8 | K | 46.7 | Very low | 49.8 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -63.1 | 83.6 | 160.9 | -68.5 | -177.9 | -175 | 178.3 | 0 | 106.1 | Q6 K10 | Q6-K8 PolarHBondContact O-N 2.88Å; K8-K10 VanDerWaalsContact C-N 3.27Å; K8-K10 PolarHBondContact O-N 3.39Å | ||
| 9 | Q | 50.5 | Low | 50.4 | Low | 139 Ų | 139 | 129 Ų | 129 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -50.8 | 105.7 | 160 | -82.5 | -176.9 | -26.2 | 0 | 0 | 104.3 | G7 R11 | G7-Q9 PolarHBondContact O-N 3.19Å; Q9-R11 PolarHBondContact O-N 3.02Å | ||
| 10 | K | 50.9 | Low | 51 | Low | 190 Ų | 190 | 123.8 Ų | 123.8 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | trans | -59.2 | 84.8 | 162.5 | -103.6 | 177.9 | 173.8 | 174.6 | 0 | 104.1 | K8 H12 | K8-K10 VanDerWaalsContact C-N 3.27Å; K8-K10 PolarHBondContact O-N 3.39Å; K10-H12 PolarHBondContact O-N 3.04Å | ||
| 11 | R | 58.4 | Low | 51.4 | Low | 184 Ų | 184 | 124.3 Ų | 124.3 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | trans | -51.4 | 117.5 | 163.4 | -62 | -77.5 | 174.3 | 160.6 | -5.2 | 101.3 | Q9 C13 | Q9-R11 PolarHBondContact O-N 3.02Å; R11-C13 PolarHBondContact O-N 3.46Å; R11-C13 PolarHBondContact O-SG 3.35Å | ||
| 12 | H | 53.3 | Low | 52.7 | Low | 185 Ų | 185 | 123.7 Ų | 123.7 | 86% | 0.856 | 65% | 0.647 | S | S | * | * | trans | -65.8 | 70.7 | 172.6 | -70.6 | -76.6 | 0 | 0 | 0 | 107 | K10 | K10-H12 PolarHBondContact O-N 3.04Š| ||
| 13 | C | 56.1 | Low | 53.7 | Low | 95 Ų | 95 | 115.9 Ų | 115.9 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | trans | -82.3 | 123.5 | 178.8 | 58.1 | 0 | 0 | 0 | 0 | 105.1 | R11 | R11-C13 PolarHBondContact O-N 3.46Å; R11-C13 PolarHBondContact O-SG 3.35Å | ||
| 14 | T | 59.7 | Low | 54.7 | Low | 67 Ų | 67 | 116.5 Ų | 116.5 | 41% | 0.411 | 60% | 0.604 | S | S | . | * | trans | -101.1 | 154.5 | 173.3 | 41.1 | 0 | 0 | 0 | 0 | 104.9 | P16 R40 | T14-P16 WeakPolarHBondContact O-CD 3.42Å; T14-P16 VanDerWaalsContact O-N 3.12Å; T14-R40 PolarHBondContact O-NH1 3.32Å; T14-R40 WeakPolarHBondContact OG1-CD 3.31Å; T14-R40 PolarHBondContact OG1-NE 2.86Å; T14-R40 PolarHBondContact OG1-NH1 3.17Å; T14-R40 VanDerWaalsContact OG1-NH1 3.07Å; T14-R40 PolarHBondContact OG1-NH2 3.41Å | ||
| 15 | T | 62.6 | Low | 55.6 | Low | 102 Ų | 102 | 116.5 Ų | 116.5 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | trans | -58.2 | 113.9 | -175 | -46.5 | 0 | 0 | 0 | 0 | 112.7 | P27 R40 | T15-P27 HydrophobicContact CG2-CB 4.15Å; T15-P27 HydrophobicContact CG2-CG 3.89Å; T15-R40 VanDerWaalsContact C-NH1 3.26Å; T15-R40 VanDerWaalsContact C-NH2 3.33Å; T15-R40 PolarHBondContact O-NH1 3.36Å; T15-R40 PolarHBondContact O-NH2 3.2Å | ||
| 16 | P | 66 | Low | 56.8 | Low | 18 Ų | 18 | 116.8 Ų | 116.8 | 12% | 0.117 | 60% | 0.6 | C | S | . | * | trans | -58.1 | 162.4 | -174.3 | 26 | -35.8 | 0 | 0 | 0 | 112.3 | T14 N23 P27 | T14-P16 WeakPolarHBondContact O-CD 3.42Å; T14-P16 VanDerWaalsContact O-N 3.12Å; P16-N23 WeakPolarHBondContact CB-ND2 3.49Å; P16-P27 HydrophobicContact CG-CB 3.99Å | ||
| 17 | D | 65.8 | Low | 58 | Low | 45 Ų | 45 | 112.7 Ų | 112.7 | 24% | 0.241 | 59% | 0.588 | C | S | . | * | trans | -55.1 | 128.2 | -179.7 | -162.6 | -45.7 | 0 | 0 | 0 | 110.7 | L19 S20 N23 R43 | D17-L19 PolarHBondContact O-N 2.98Å; D17-L19 VanDerWaalsContact O-N 3.11Å; D17-L19 PolarHBondContact OD1-N 3.13Å; D17-S20 WeakPolarHBondContact O-CB 3.38Å; D17-S20 PolarHBondContact O-N 3.03Å; D17-N23 PolarHBondContact O-ND2 3.42Å; D17-R43 IonicContact OD2-CZ 3.27Å; D17-R43 VanDerWaalsContact OD2-CZ 3.25Å; D17-R43 IonicContact OD2-NH1 3.24Å; D17-R43 PolarHBondContact OD2-NH1 3.24Å; D17-R43 IonicContact OD2-NH2 2.63Å; D17-R43 PolarHBondContact OD2-NH2 2.94Å | ||
| 18 | P | 62.6 | Low | 59.4 | Low | 97 Ų | 97 | 118.5 Ų | 118.5 | 63% | 0.63 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -22.2 | 179.8 | 23.6 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 19 | L | 60.2 | Low | 60.4 | Low | 152 Ų | 152 | 119 Ų | 119 | 80% | 0.796 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 12.5 | 179.2 | -58 | 179.3 | 0 | 0 | 0 | 113.6 | D17 V21 | D17-L19 PolarHBondContact O-N 2.98Å; D17-L19 VanDerWaalsContact O-N 3.11Å; D17-L19 PolarHBondContact OD1-N 3.13Å; L19-V21 PolarHBondContact O-N 3.35Å |
| 20 | S | 62.9 | Low | 61.4 | Low | 24 Ų | 24 | 115.9 Ų | 115.9 | 17% | 0.168 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -64.3 | 135.2 | 168.3 | 117.2 | 0 | 0 | 0 | 0 | 108.3 | D17 D22 N23 | D17-S20 WeakPolarHBondContact O-CB 3.38Å; D17-S20 PolarHBondContact O-N 3.03Å; S20-D22 PolarHBondContact O-N 3.33Å; S20-N23 WeakPolarHBondContact O-CB 3.42Å; S20-N23 PolarHBondContact O-N 2.87Å; S20-N23 PolarHBondContact OG-ND2 3.07Å; S20-N23 VanDerWaalsContact OG-ND2 3.1Å |
| 21 | V | 59.8 | Low | 62.5 | Low | 136 Ų | 136 | 112.1 Ų | 112.1 | 82% | 0.824 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -48.1 | -29.9 | -173.5 | 174.5 | 0 | 0 | 0 | 0 | 113.6 | L19 | L19-V21 PolarHBondContact O-N 3.35Š|
| 22 | D | 58.2 | Low | 63.2 | Low | 114 Ų | 114 | 105.9 Ų | 105.9 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -80.7 | -5.3 | 176.7 | -84 | -21.5 | 0 | 0 | 0 | 115.9 | S20 | S20-D22 PolarHBondContact O-N 3.33Š|
| 23 | N | 56.4 | Low | 64.6 | Low | 8 Ų | 8 | 100.1 Ų | 100.1 | 4% | 0.043 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -112.9 | 23.5 | -169.6 | -72.9 | -34.1 | 0 | 0 | 0 | 114.1 | P16 D17 S20 F25 P27 R28 | P16-N23 WeakPolarHBondContact CB-ND2 3.49Å; D17-N23 PolarHBondContact O-ND2 3.42Å; S20-N23 WeakPolarHBondContact O-CB 3.42Å; S20-N23 PolarHBondContact O-N 2.87Å; S20-N23 PolarHBondContact OG-ND2 3.07Å; S20-N23 VanDerWaalsContact OG-ND2 3.1Å; N23-F25 PolarHBondContact O-N 3.21Å; N23-P27 WeakPolarHBondContact OD1-CA 3.34Å; N23-R28 PolarHBondContact OD1-N 3.5Å |
| 24 | L | 63.6 | Low | 65.9 | Low | 126 Ų | 126 | 98 Ų | 98 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -56.5 | -17.3 | -172.5 | -109.9 | 66.7 | 0 | 0 | 0 | 115.2 | ||
| 25 | F | 60.4 | Low | 67.2 | Low | 191 Ų | 191 | 104.9 Ų | 104.9 | 84% | 0.838 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -140.1 | -24.5 | 177.1 | -67.2 | -78.5 | 0 | 0 | 0 | 116.2 | N23 | N23-F25 PolarHBondContact O-N 3.21Š|
| 26 | K | 61.3 | Low | 68.2 | Low | 169 Ų | 169 | 101.9 Ų | 101.9 | 74% | 0.735 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -153.1 | 142.2 | 174.8 | -63.8 | -174.4 | -178 | 176.9 | 0 | 110 | R28 | K26-R28 PolarHBondContact O-N 3.18Š|
| 27 | P | 65.9 | Low | 69.1 | Low | 80 Ų | 80 | 106.3 Ų | 106.3 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | trans | -57.5 | 104.1 | 168.7 | -22.7 | 33.8 | 0 | 0 | 0 | 109.7 | T15 P16 N23 | T15-P27 HydrophobicContact CG2-CB 4.15Å; T15-P27 HydrophobicContact CG2-CG 3.89Å; P16-P27 HydrophobicContact CG-CB 3.99Å; N23-P27 WeakPolarHBondContact OD1-CA 3.34Å | ||
| 28 | R | 67.1 | Low | 70.2 | Confident | 189 Ų | 189 | 110.6 Ų | 110.6 | 71% | 0.713 | 57% | 0.565 | S | S | * | * | trans | -81.6 | 138.6 | 174.9 | -173.2 | 172.9 | 176.5 | -127.6 | -0.9 | 108.5 | N23 K26 R30 | N23-R28 PolarHBondContact OD1-N 3.5Å; K26-R28 PolarHBondContact O-N 3.18Å; R28-R30 PolarHBondContact O-N 3.39Å; R28-R30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | E | 66.5 | Low | 71.4 | Confident | 189 Ų | 189 | 109.4 Ų | 109.4 | 88% | 0.883 | 55% | 0.553 | S | S | * | * | trans | -60 | 118.2 | 170.4 | -68.1 | -169.8 | 173 | 0 | 0 | 109.2 | ||||
| 30 | R | 72.6 | Confident | 72.6 | Confident | 72 Ų | 72 | 104 Ų | 104 | 27% | 0.272 | 52% | 0.522 | S | S | . | . | trans | -144 | 159.9 | 176.4 | 69.3 | 170 | 179.7 | 76.6 | -1.4 | 111.9 | R28 I32 E36 | R28-R30 PolarHBondContact O-N 3.39Å; R28-R30 VanDerWaalsContact O-N 3.12Å; R30-I32 PolarHBondContact O-N 3.02Å; R30-E36 IonicContact CZ-OE1 2.93Å; R30-E36 IonicContact CZ-OE2 3.25Å; R30-E36 VanDerWaalsContact CZ-OE2 3.31Å; R30-E36 IonicContact NH1-OE1 3.58Å; R30-E36 IonicContact NH1-OE2 2.72Å; R30-E36 PolarHBondContact NH1-OE2 3.45Å; R30-E36 IonicContact NH2-OE1 2.69Å; R30-E36 PolarHBondContact NH2-OE1 3.44Å; R30-E36 IonicContact NH2-OE2 3.01Å; R30-E36 PolarHBondContact NH2-OE2 3.27Å | ||
| 31 | S | 72.9 | Confident | 73.8 | Confident | 112 Ų | 112 | 106.1 Ų | 106.1 | 78% | 0.783 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 130.5 | 168.9 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 32 | I | 73.1 | Confident | 75.3 | Confident | 52 Ų | 52 | 106 Ų | 106 | 27% | 0.267 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -94 | 128.3 | 175.1 | -62.6 | 175.3 | 0 | 0 | 0 | 107.9 | R30 E36 M37 | R30-I32 PolarHBondContact O-N 3.02Å; I32-E36 HydrophobicContact CG2-CB 3.9Å; I32-E36 HydrophobicContact CG2-CG 3.93Å; I32-M37 HydrophobicContact CG2-CB 4.06Å |
| 33 | S | 82.7 | Confident | 76.9 | Confident | 65 Ų | 65 | 105 Ų | 105 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 154.5 | 174.9 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | R35 E36 M37 | S33-R35 PolarHBondContact O-N 2.91Å; S33-E36 PolarHBondContact O-N 3.47Å; S33-E36 VanDerWaalsContact O-N 3.11Å; S33-E36 WeakPolarHBondContact OG-CB 3.41Å; S33-E36 PolarHBondContact OG-N 3.18Å; S33-M37 PolarHBondContact O-N 2.93Å |
| 34 | G | 84.6 | Confident | 78.5 | Confident | 49 Ų | 49 | 108.6 Ų | 108.6 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.9 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M37 Q38 | G34-M37 WeakPolarHBondContact O-CB 3.31Å; G34-M37 PolarHBondContact O-N 2.99Å; G34-Q38 PolarHBondContact O-N 3.44Å |
| 35 | R | 85.6 | Confident | 80 | Confident | 213 Ų | 213 | 109.3 Ų | 109.3 | 80% | 0.804 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 175.6 | 178.6 | 179.7 | -74.5 | -100.6 | 0.6 | 111.9 | S33 Q38 L39 | S33-R35 PolarHBondContact O-N 2.91Å; R35-Q38 PolarHBondContact O-N 3.01Å; R35-L39 PolarHBondContact O-N 3.42Å |
| 36 | E | 84.8 | Confident | 81.5 | Confident | 39 Ų | 39 | 103 Ų | 103 | 18% | 0.182 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 177.9 | -177.1 | -175 | 167.8 | 0 | 0 | 111.3 | R30 I32 S33 Q38 L39 R40 | R30-E36 IonicContact CZ-OE1 2.93Å; R30-E36 IonicContact CZ-OE2 3.25Å; R30-E36 VanDerWaalsContact CZ-OE2 3.31Å; R30-E36 IonicContact NH1-OE1 3.58Å; R30-E36 IonicContact NH1-OE2 2.72Å; R30-E36 PolarHBondContact NH1-OE2 3.45Å; R30-E36 IonicContact NH2-OE1 2.69Å; R30-E36 PolarHBondContact NH2-OE1 3.44Å; R30-E36 IonicContact NH2-OE2 3.01Å; R30-E36 PolarHBondContact NH2-OE2 3.27Å; I32-E36 HydrophobicContact CG2-CB 3.9Å; I32-E36 HydrophobicContact CG2-CG 3.93Å; S33-E36 PolarHBondContact O-N 3.47Å; S33-E36 VanDerWaalsContact O-N 3.11Å; S33-E36 WeakPolarHBondContact OG-CB 3.41Å; S33-E36 PolarHBondContact OG-N 3.18Å; E36-Q38 VanDerWaalsContact C-N 3.33Å; E36-Q38 PolarHBondContact O-N 2.94Å; E36-L39 PolarHBondContact O-N 2.88Å; E36-R40 VanDerWaalsContact O-CB 3.26Å; E36-R40 WeakPolarHBondContact O-CB 3.37Å; E36-R40 PolarHBondContact O-N 2.94Å |
| 37 | M | 85.1 | Confident | 83 | Confident | 111 Ų | 111 | 103 Ų | 103 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55 | -49.1 | 174.5 | -179.3 | -177.5 | 69.8 | 0 | 0 | 111 | I32 S33 G34 R40 S41 | I32-M37 HydrophobicContact CG2-CB 4.06Å; S33-M37 PolarHBondContact O-N 2.93Å; G34-M37 WeakPolarHBondContact O-CB 3.31Å; G34-M37 PolarHBondContact O-N 2.99Å; M37-R40 WeakPolarHBondContact O-CB 3.26Å; M37-R40 PolarHBondContact O-N 3.49Å; M37-S41 PolarHBondContact O-N 3.43Å; M37-S41 PolarHBondContact O-OG 2.8Å; M37-S41 VanDerWaalsContact O-OG 3.12Å |
| 38 | Q | 87.8 | Confident | 84.4 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 179.1 | -170.4 | -174.9 | 10.9 | 0 | 0 | 112.5 | G34 R35 E36 R40 S41 R42 | G34-Q38 PolarHBondContact O-N 3.44Å; R35-Q38 PolarHBondContact O-N 3.01Å; E36-Q38 VanDerWaalsContact C-N 3.33Å; E36-Q38 PolarHBondContact O-N 2.94Å; Q38-R40 PolarHBondContact O-N 3.31Å; Q38-S41 PolarHBondContact O-N 3.11Å; Q38-R42 WeakPolarHBondContact O-CB 3.34Å; Q38-R42 PolarHBondContact O-N 3.3Å |
| 39 | L | 88.4 | Confident | 85.8 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 38% | 0.377 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 176.3 | 175.6 | 61.8 | 0 | 0 | 0 | 110.8 | R35 E36 R43 | R35-L39 PolarHBondContact O-N 3.42Å; E36-L39 PolarHBondContact O-N 2.88Å; L39-R43 WeakPolarHBondContact O-CG 3.37Å; L39-R43 PolarHBondContact O-N 3.32Å |
| 40 | R | 84.4 | Confident | 87.2 | Confident | 37 Ų | 37 | 93.7 Ų | 93.7 | 14% | 0.14 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.7 | -49.7 | 179.2 | -172.7 | -170.4 | -177.2 | 136.7 | 7.7 | 112.6 | T14 T15 E36 M37 Q38 R42 R43 I44 | T14-R40 PolarHBondContact O-NH1 3.32Å; T14-R40 WeakPolarHBondContact OG1-CD 3.31Å; T14-R40 PolarHBondContact OG1-NE 2.86Å; T14-R40 PolarHBondContact OG1-NH1 3.17Å; T14-R40 VanDerWaalsContact OG1-NH1 3.07Å; T14-R40 PolarHBondContact OG1-NH2 3.41Å; T15-R40 VanDerWaalsContact C-NH1 3.26Å; T15-R40 VanDerWaalsContact C-NH2 3.33Å; T15-R40 PolarHBondContact O-NH1 3.36Å; T15-R40 PolarHBondContact O-NH2 3.2Å; E36-R40 VanDerWaalsContact O-CB 3.26Å; E36-R40 WeakPolarHBondContact O-CB 3.37Å; E36-R40 PolarHBondContact O-N 2.94Å; M37-R40 WeakPolarHBondContact O-CB 3.26Å; M37-R40 PolarHBondContact O-N 3.49Å; Q38-R40 PolarHBondContact O-N 3.31Å; R40-R42 PolarHBondContact O-N 3.45Å; R40-R43 WeakPolarHBondContact O-CB 3.47Å; R40-R43 PolarHBondContact O-N 2.89Å; R40-I44 HydrophobicContact CG-CD1 3.93Å; R40-I44 HydrophobicContact CG-CG1 4.44Å; R40-I44 WeakPolarHBondContact O-CG1 3.47Å; R40-I44 PolarHBondContact O-N 3.27Å |
| 41 | S | 87.6 | Confident | 88.4 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.6 | -40.7 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | M37 Q38 R43 I44 Y45 | M37-S41 PolarHBondContact O-N 3.43Å; M37-S41 PolarHBondContact O-OG 2.8Å; M37-S41 VanDerWaalsContact O-OG 3.12Å; Q38-S41 PolarHBondContact O-N 3.11Å; S41-R43 PolarHBondContact O-N 2.95Å; S41-I44 PolarHBondContact O-N 2.98Å; S41-Y45 WeakPolarHBondContact O-CB 3.48Å; S41-Y45 PolarHBondContact O-N 3.45Å |
| 42 | R | 92.2 | Very high | 89.5 | Confident | 133 Ų | 133 | 88.1 Ų | 88.1 | 50% | 0.502 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.2 | -173.4 | 172.2 | 74.5 | -112.6 | 11.5 | 112.7 | Q38 R40 N46 | Q38-R42 WeakPolarHBondContact O-CB 3.34Å; Q38-R42 PolarHBondContact O-N 3.3Å; R40-R42 PolarHBondContact O-N 3.45Å; R42-N46 WeakPolarHBondContact O-CB 3.35Å; R42-N46 PolarHBondContact O-N 3.05Å; R42-N46 PolarHBondContact O-ND2 2.97Å |
| 43 | R | 91.8 | Very high | 90.7 | Very high | 93 Ų | 93 | 92.5 Ų | 92.5 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 176.8 | -75 | -169.2 | -69.4 | 169 | -7.1 | 111.9 | D17 L39 R40 S41 N46 K47 | D17-R43 IonicContact OD2-CZ 3.27Å; D17-R43 VanDerWaalsContact OD2-CZ 3.25Å; D17-R43 IonicContact OD2-NH1 3.24Å; D17-R43 PolarHBondContact OD2-NH1 3.24Å; D17-R43 IonicContact OD2-NH2 2.63Å; D17-R43 PolarHBondContact OD2-NH2 2.94Å; L39-R43 WeakPolarHBondContact O-CG 3.37Å; L39-R43 PolarHBondContact O-N 3.32Å; R40-R43 WeakPolarHBondContact O-CB 3.47Å; R40-R43 PolarHBondContact O-N 2.89Å; S41-R43 PolarHBondContact O-N 2.95Å; R43-N46 PolarHBondContact O-N 2.63Å; R43-K47 WeakPolarHBondContact O-CG 3.3Å; R43-K47 PolarHBondContact O-N 3.23Å; R43-K47 VanDerWaalsContact O-N 3.15Å |
| 44 | I | 90.4 | Very high | 91.3 | Very high | 84 Ų | 84 | 95.6 Ų | 95.6 | 43% | 0.431 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61 | -50.2 | 178.4 | -66 | 168.6 | 0 | 0 | 0 | 109.7 | R40 S41 N46 K47 L48 | R40-I44 HydrophobicContact CG-CD1 3.93Å; R40-I44 HydrophobicContact CG-CG1 4.44Å; R40-I44 WeakPolarHBondContact O-CG1 3.47Å; R40-I44 PolarHBondContact O-N 3.27Å; S41-I44 PolarHBondContact O-N 2.98Å; I44-N46 VanDerWaalsContact C-N 3.32Å; I44-N46 PolarHBondContact O-N 3.46Å; I44-K47 PolarHBondContact O-N 3.38Å; I44-L48 PolarHBondContact O-N 3.17Å |
| 45 | Y | 93.9 | Very high | 91.9 | Very high | 142 Ų | 142 | 97.4 Ų | 97.4 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -54.1 | -47.2 | 176.5 | 177.2 | -98.6 | 0 | 0 | 0 | 112.3 | S41 K47 L48 V51 | S41-Y45 WeakPolarHBondContact O-CB 3.48Å; S41-Y45 PolarHBondContact O-N 3.45Å; Y45-K47 PolarHBondContact O-N 2.93Å; Y45-L48 HydrophobicContact CD2-CD1 4.14Å; Y45-L48 WeakPolarHBondContact O-CB 3.43Å; Y45-L48 WeakPolarHBondContact O-CG 3.44Å; Y45-L48 PolarHBondContact O-N 2.89Å; Y45-V51 HydrophobicContact CD1-CG2 4.41Å; Y45-V51 HydrophobicContact CD2-CG2 4.34Å; Y45-V51 HydrophobicContact CE1-CG1 4.16Å; Y45-V51 HydrophobicContact CE1-CG2 3.99Å; Y45-V51 HydrophobicContact CE2-CG2 3.91Å; Y45-V51 WeakPolarHBondContact O-CG2 3.16Å |
| 46 | N | 93.6 | Very high | 92.4 | Very high | 58 Ų | 58 | 92.4 Ų | 92.4 | 31% | 0.31 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.6 | -20.1 | -179.3 | -78.5 | -42.9 | 0 | 0 | 0 | 114.4 | R42 R43 I44 T52 K55 | R42-N46 WeakPolarHBondContact O-CB 3.35Å; R42-N46 PolarHBondContact O-N 3.05Å; R42-N46 PolarHBondContact O-ND2 2.97Å; R43-N46 PolarHBondContact O-N 2.63Å; I44-N46 VanDerWaalsContact C-N 3.32Å; I44-N46 PolarHBondContact O-N 3.46Å; N46-T52 WeakPolarHBondContact O-CG2 3.23Å; N46-K55 PolarHBondContact OD1-NZ 2.87Å |
| 47 | K | 92 | Very high | 93 | Very high | 168 Ų | 168 | 95 Ų | 95 | 73% | 0.73 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -3.1 | 177.7 | -72.3 | -176.7 | 177.3 | -167.9 | 0 | 113.2 | R43 I44 Y45 | R43-K47 WeakPolarHBondContact O-CG 3.3Å; R43-K47 PolarHBondContact O-N 3.23Å; R43-K47 VanDerWaalsContact O-N 3.15Å; I44-K47 PolarHBondContact O-N 3.38Å; Y45-K47 PolarHBondContact O-N 2.93Å |
| 48 | L | 95.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 94.5 Ų | 94.5 | 36% | 0.356 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -63 | 139.2 | 177.2 | -67 | 177.6 | 0 | 0 | 0 | 110.8 | I44 Y45 E50 V51 T52 | I44-L48 PolarHBondContact O-N 3.17Å; Y45-L48 HydrophobicContact CD2-CD1 4.14Å; Y45-L48 WeakPolarHBondContact O-CB 3.43Å; Y45-L48 WeakPolarHBondContact O-CG 3.44Å; Y45-L48 PolarHBondContact O-N 2.89Å; L48-E50 PolarHBondContact O-N 3.07Å; L48-V51 HydrophobicContact CB-CB 4.29Å; L48-V51 HydrophobicContact CB-CG2 4.05Å; L48-V51 HydrophobicContact CD1-CG2 4.45Å; L48-V51 PolarHBondContact O-N 2.87Å; L48-T52 WeakPolarHBondContact O-CG2 3.49Å; L48-T52 PolarHBondContact O-N 3.33Å; L48-T52 PolarHBondContact O-OG1 3.37Å |
| 49 | P | 96.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 94.7 Ų | 94.7 | 44% | 0.442 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.2 | -34 | -178.8 | 22.3 | -30.3 | 0 | 0 | 0 | 112.1 | T52 K53 | P49-T52 VanDerWaalsContact CA-OG1 3.28Å; P49-T52 WeakPolarHBondContact CA-OG1 3.29Å; P49-T52 PolarHBondContact O-OG1 3.39Å; P49-K53 VanDerWaalsContact O-CB 3.23Å; P49-K53 WeakPolarHBondContact O-CB 3.41Å; P49-K53 WeakPolarHBondContact O-CG 3.35Å; P49-K53 PolarHBondContact O-N 3.34Å |
| 50 | E | 95.9 | Very high | 94.5 | Very high | 127 Ų | 127 | 98.2 Ų | 98.2 | 59% | 0.593 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66 | -45.1 | 177.5 | -56.8 | 74.8 | -161.5 | 0 | 0 | 111.1 | L48 K54 | L48-E50 PolarHBondContact O-N 3.07Å; E50-K54 WeakPolarHBondContact O-CB 3.46Å; E50-K54 PolarHBondContact O-N 3Å; E50-K54 VanDerWaalsContact O-N 3.09Å |
| 51 | V | 97.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 103.2 Ų | 103.2 | 11% | 0.109 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -69.2 | -42.1 | -179 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | Y45 L48 K55 | Y45-V51 HydrophobicContact CD1-CG2 4.41Å; Y45-V51 HydrophobicContact CD2-CG2 4.34Å; Y45-V51 HydrophobicContact CE1-CG1 4.16Å; Y45-V51 HydrophobicContact CE1-CG2 3.99Å; Y45-V51 HydrophobicContact CE2-CG2 3.91Å; Y45-V51 WeakPolarHBondContact O-CG2 3.16Å; L48-V51 HydrophobicContact CB-CB 4.29Å; L48-V51 HydrophobicContact CB-CG2 4.05Å; L48-V51 HydrophobicContact CD1-CG2 4.45Å; L48-V51 PolarHBondContact O-N 2.87Å; V51-K55 HydrophobicContact CG1-CD 4.36Å; V51-K55 WeakPolarHBondContact O-CG 3.33Å; V51-K55 PolarHBondContact O-N 2.95Å; V51-K55 VanDerWaalsContact O-N 3.17Å |
| 52 | T | 95.9 | Very high | 95.6 | Very high | 49 Ų | 49 | 102.3 Ų | 102.3 | 30% | 0.301 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.5 | -48.8 | 178.9 | 50 | 0 | 0 | 0 | 0 | 111.4 | N46 L48 P49 K54 K55 E56 | N46-T52 WeakPolarHBondContact O-CG2 3.23Å; L48-T52 WeakPolarHBondContact O-CG2 3.49Å; L48-T52 PolarHBondContact O-N 3.33Å; L48-T52 PolarHBondContact O-OG1 3.37Å; P49-T52 VanDerWaalsContact CA-OG1 3.28Å; P49-T52 WeakPolarHBondContact CA-OG1 3.29Å; P49-T52 PolarHBondContact O-OG1 3.39Å; T52-K54 VanDerWaalsContact C-N 3.35Å; T52-K54 PolarHBondContact O-N 2.99Å; T52-K55 PolarHBondContact O-N 3.29Å; T52-E56 WeakPolarHBondContact O-CG 3.31Å; T52-E56 PolarHBondContact O-N 3.03Å |
| 53 | K | 97.2 | Very high | 95.9 | Very high | 144 Ų | 144 | 101.4 Ų | 101.4 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.7 | -45.9 | 176.1 | -75.9 | 176.1 | -179.8 | -178.4 | 0 | 112.3 | P49 K55 E56 E57 | P49-K53 VanDerWaalsContact O-CB 3.23Å; P49-K53 WeakPolarHBondContact O-CB 3.41Å; P49-K53 WeakPolarHBondContact O-CG 3.35Å; P49-K53 PolarHBondContact O-N 3.34Å; K53-K55 PolarHBondContact O-N 3.46Å; K53-E56 PolarHBondContact O-N 3.11Å; K53-E57 WeakPolarHBondContact O-CB 3.26Å; K53-E57 PolarHBondContact O-N 3.48Å |
| 54 | K | 97 | Very high | 96.1 | Very high | 130 Ų | 130 | 100.7 Ų | 100.7 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.3 | -46.6 | 178.3 | -176 | 175.7 | 178.2 | 178.3 | 0 | 112.1 | E50 T52 E56 E57 E58 | E50-K54 WeakPolarHBondContact O-CB 3.46Å; E50-K54 PolarHBondContact O-N 3Å; E50-K54 VanDerWaalsContact O-N 3.09Å; T52-K54 VanDerWaalsContact C-N 3.35Å; T52-K54 PolarHBondContact O-N 2.99Å; K54-E56 VanDerWaalsContact C-N 3.35Å; K54-E56 PolarHBondContact O-N 3.27Å; K54-E57 PolarHBondContact O-N 3.02Å; K54-E58 WeakPolarHBondContact CE-OE1 3.38Å; K54-E58 WeakPolarHBondContact O-CG 3.28Å; K54-E58 PolarHBondContact O-N 3.19Å |
| 55 | K | 96.5 | Very high | 96.5 | Very high | 88 Ų | 88 | 102.4 Ų | 102.4 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 177.9 | -74.1 | 177.3 | -178.5 | 175.4 | 0 | 112.4 | N46 V51 T52 K53 K59 | N46-K55 PolarHBondContact OD1-NZ 2.87Å; V51-K55 HydrophobicContact CG1-CD 4.36Å; V51-K55 WeakPolarHBondContact O-CG 3.33Å; V51-K55 PolarHBondContact O-N 2.95Å; V51-K55 VanDerWaalsContact O-N 3.17Å; T52-K55 PolarHBondContact O-N 3.29Å; K53-K55 PolarHBondContact O-N 3.46Å; K55-K59 VanDerWaalsContact O-CG 3.26Å; K55-K59 WeakPolarHBondContact O-CG 3.48Å; K55-K59 PolarHBondContact O-N 2.94Å |
| 56 | E | 96.9 | Very high | 96.7 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 177 | -74.2 | -179.2 | -174.5 | 0 | 0 | 112.2 | T52 K53 K54 K59 K60 | T52-E56 WeakPolarHBondContact O-CG 3.31Å; T52-E56 PolarHBondContact O-N 3.03Å; K53-E56 PolarHBondContact O-N 3.11Å; K54-E56 VanDerWaalsContact C-N 3.35Å; K54-E56 PolarHBondContact O-N 3.27Å; E56-K59 PolarHBondContact O-N 3.18Å; E56-K60 WeakPolarHBondContact O-CG 3.38Å; E56-K60 PolarHBondContact O-N 3.05Å |
| 57 | E | 97.2 | Very high | 96.9 | Very high | 95 Ų | 95 | 100.6 Ų | 100.6 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 176.6 | -170 | -176.9 | 177.1 | 0 | 0 | 111.7 | K53 K54 K59 K60 R61 | K53-E57 WeakPolarHBondContact O-CB 3.26Å; K53-E57 PolarHBondContact O-N 3.48Å; K54-E57 PolarHBondContact O-N 3.02Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.17Å; E57-K60 PolarHBondContact O-N 3.15Å; E57-R61 VanDerWaalsContact O-CG 3.31Å; E57-R61 WeakPolarHBondContact O-CG 3.32Å; E57-R61 PolarHBondContact O-N 2.99Å; E57-R61 IonicContact OE1-CZ 2.66Å; E57-R61 VanDerWaalsContact OE1-CZ 3.27Å; E57-R61 IonicContact OE1-NE 3.52Å; E57-R61 PolarHBondContact OE1-NE 3.09Å; E57-R61 IonicContact OE1-NH2 3.31Å; E57-R61 PolarHBondContact OE1-NH2 3.36Å |
| 58 | E | 97.1 | Very high | 97.1 | Very high | 99 Ų | 99 | 100.4 Ų | 100.4 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 174.7 | -74 | 171.1 | -178.3 | 0 | 0 | 111.6 | K54 R61 A62 | K54-E58 WeakPolarHBondContact CE-OE1 3.38Å; K54-E58 WeakPolarHBondContact O-CG 3.28Å; K54-E58 PolarHBondContact O-N 3.19Å; E58-R61 PolarHBondContact O-N 2.85Å; E58-A62 PolarHBondContact O-N 2.66Å |
| 59 | K | 97.2 | Very high | 97.3 | Very high | 140 Ų | 140 | 102.5 Ų | 102.5 | 61% | 0.609 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.2 | -46.3 | 174.2 | -74.4 | 173.7 | -179.3 | -176.5 | 0 | 112.2 | K55 E56 E57 R61 A62 I63 | K55-K59 VanDerWaalsContact O-CG 3.26Å; K55-K59 WeakPolarHBondContact O-CG 3.48Å; K55-K59 PolarHBondContact O-N 2.94Å; E56-K59 PolarHBondContact O-N 3.18Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.17Å; K59-R61 VanDerWaalsContact C-N 3.33Å; K59-R61 PolarHBondContact O-N 2.99Å; K59-A62 PolarHBondContact O-N 2.9Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.17Å; K59-I63 PolarHBondContact O-N 3.33Å |
| 60 | K | 97.7 | Very high | 97.3 | Very high | 145 Ų | 145 | 107.6 Ų | 107.6 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -43.3 | 177.8 | -76.2 | 176 | -179.9 | 176.4 | 0 | 111.3 | E56 E57 I63 S64 | E56-K60 WeakPolarHBondContact O-CG 3.38Å; E56-K60 PolarHBondContact O-N 3.05Å; E57-K60 PolarHBondContact O-N 3.15Å; K60-I63 PolarHBondContact O-N 3.33Å; K60-S64 VanDerWaalsContact O-CB 3.3Å; K60-S64 WeakPolarHBondContact O-CB 3.39Å; K60-S64 PolarHBondContact O-N 3.36Å |
| 61 | R | 97.7 | Very high | 97.4 | Very high | 143 Ų | 143 | 103.8 Ų | 103.8 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 175.9 | -70.8 | 173.2 | -177.2 | -167.3 | 0.7 | 111.3 | E57 E58 K59 I63 S64 Q65 | E57-R61 VanDerWaalsContact O-CG 3.31Å; E57-R61 WeakPolarHBondContact O-CG 3.32Å; E57-R61 PolarHBondContact O-N 2.99Å; E57-R61 IonicContact OE1-CZ 2.66Å; E57-R61 VanDerWaalsContact OE1-CZ 3.27Å; E57-R61 IonicContact OE1-NE 3.52Å; E57-R61 PolarHBondContact OE1-NE 3.09Å; E57-R61 IonicContact OE1-NH2 3.31Å; E57-R61 PolarHBondContact OE1-NH2 3.36Å; E58-R61 PolarHBondContact O-N 2.85Å; K59-R61 VanDerWaalsContact C-N 3.33Å; K59-R61 PolarHBondContact O-N 2.99Å; R61-I63 PolarHBondContact O-N 2.93Å; R61-S64 PolarHBondContact O-N 3.1Å; R61-Q65 WeakPolarHBondContact O-CG 3.39Å; R61-Q65 PolarHBondContact O-N 2.91Å |
| 62 | A | 97.5 | Very high | 97.4 | Very high | 49 Ų | 49 | 108.4 Ų | 108.4 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E58 K59 T66 | E58-A62 PolarHBondContact O-N 2.66Å; K59-A62 PolarHBondContact O-N 2.9Å; A62-T66 WeakPolarHBondContact O-CB 3.45Å; A62-T66 PolarHBondContact O-N 3.35Å; A62-T66 PolarHBondContact O-OG1 3.07Å |
| 63 | I | 97.8 | Very high | 97.5 | Very high | 115 Ų | 115 | 109.9 Ų | 109.9 | 59% | 0.59 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -46 | 176.2 | -68.5 | 166.3 | 0 | 0 | 0 | 110.2 | K59 K60 R61 Q65 T66 N67 | K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.17Å; K59-I63 PolarHBondContact O-N 3.33Å; K60-I63 PolarHBondContact O-N 3.33Å; R61-I63 PolarHBondContact O-N 2.93Å; I63-Q65 PolarHBondContact O-N 3.46Å; I63-T66 PolarHBondContact O-N 2.62Å; I63-N67 VanDerWaalsContact O-CB 3.26Å; I63-N67 WeakPolarHBondContact O-CB 3.42Å; I63-N67 PolarHBondContact O-N 2.83Å |
| 64 | S | 97.6 | Very high | 97.5 | Very high | 78 Ų | 78 | 109.7 Ų | 109.7 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | K60 R61 T66 N67 R68 | K60-S64 VanDerWaalsContact O-CB 3.3Å; K60-S64 WeakPolarHBondContact O-CB 3.39Å; K60-S64 PolarHBondContact O-N 3.36Å; R61-S64 PolarHBondContact O-N 3.1Å; S64-T66 PolarHBondContact O-N 2.88Å; S64-N67 PolarHBondContact O-N 3.07Å; S64-R68 WeakPolarHBondContact O-CB 3.39Å; S64-R68 PolarHBondContact O-N 2.76Å |
| 65 | Q | 97.6 | Very high | 97.5 | Very high | 120 Ų | 120 | 110.3 Ų | 110.3 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -45.4 | 176.5 | -73.4 | 175.7 | -4.9 | 0 | 0 | 111.9 | R61 I63 R68 L69 | R61-Q65 WeakPolarHBondContact O-CG 3.39Å; R61-Q65 PolarHBondContact O-N 2.91Å; I63-Q65 PolarHBondContact O-N 3.46Å; Q65-R68 PolarHBondContact O-N 2.91Å; Q65-L69 WeakPolarHBondContact O-CG 3.37Å; Q65-L69 PolarHBondContact O-N 3.25Å; Q65-L69 VanDerWaalsContact O-N 3.11Å |
| 66 | T | 97.8 | Very high | 97.5 | Very high | 61 Ų | 61 | 112.6 Ų | 112.6 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 178.3 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | A62 I63 S64 L69 R70 | A62-T66 WeakPolarHBondContact O-CB 3.45Å; A62-T66 PolarHBondContact O-N 3.35Å; A62-T66 PolarHBondContact O-OG1 3.07Å; I63-T66 PolarHBondContact O-N 2.62Å; S64-T66 PolarHBondContact O-N 2.88Å; T66-L69 PolarHBondContact O-N 3.48Å; T66-R70 WeakPolarHBondContact O-CG 3.45Å; T66-R70 PolarHBondContact O-N 2.64Å |
| 67 | N | 97.9 | Very high | 97.5 | Very high | 100 Ų | 100 | 113.8 Ų | 113.8 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 178.3 | -171.4 | -70.2 | 0 | 0 | 0 | 111 | I63 S64 L69 R70 A71 | I63-N67 VanDerWaalsContact O-CB 3.26Å; I63-N67 WeakPolarHBondContact O-CB 3.42Å; I63-N67 PolarHBondContact O-N 2.83Å; S64-N67 PolarHBondContact O-N 3.07Å; N67-L69 PolarHBondContact O-N 2.92Å; N67-R70 WeakPolarHBondContact O-CB 3.47Å; N67-R70 PolarHBondContact O-N 3.38Å; N67-A71 PolarHBondContact O-N 3.42Å |
| 68 | R | 97.8 | Very high | 97.4 | Very high | 164 Ų | 164 | 111.6 Ų | 111.6 | 62% | 0.619 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56 | -50 | 174 | -173.5 | 178 | 71.5 | 176.5 | 4.3 | 111.7 | S64 Q65 R70 A71 E72 | S64-R68 WeakPolarHBondContact O-CB 3.39Å; S64-R68 PolarHBondContact O-N 2.76Å; Q65-R68 PolarHBondContact O-N 2.91Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 3.02Å; R68-A71 PolarHBondContact O-N 3.04Å; R68-E72 PolarHBondContact O-N 3.29Å |
| 69 | L | 97.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 111.2 Ų | 111.2 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -41 | 177.9 | -68.8 | 174.2 | 0 | 0 | 0 | 112.1 | Q65 T66 N67 A71 E72 V73 | Q65-L69 WeakPolarHBondContact O-CG 3.37Å; Q65-L69 PolarHBondContact O-N 3.25Å; Q65-L69 VanDerWaalsContact O-N 3.11Å; T66-L69 PolarHBondContact O-N 3.48Å; N67-L69 PolarHBondContact O-N 2.92Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A71 PolarHBondContact O-N 3.01Å; L69-E72 PolarHBondContact O-N 3.25Å; L69-V73 WeakPolarHBondContact O-CG2 3.42Å; L69-V73 PolarHBondContact O-N 3.37Å |
| 70 | R | 98.1 | Very high | 97.3 | Very high | 175 Ų | 175 | 107.2 Ų | 107.2 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 175.7 | -72.4 | 175.1 | -174.8 | 171.2 | 3.2 | 111.9 | T66 N67 R68 F74 | T66-R70 WeakPolarHBondContact O-CG 3.45Å; T66-R70 PolarHBondContact O-N 2.64Å; N67-R70 WeakPolarHBondContact O-CB 3.47Å; N67-R70 PolarHBondContact O-N 3.38Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 3.02Å; R70-F74 WeakPolarHBondContact O-CB 3.33Å; R70-F74 PolarHBondContact O-N 2.89Å |
| 71 | A | 98.1 | Very high | 97.1 | Very high | 48 Ų | 48 | 107.5 Ų | 107.5 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N67 R68 L69 F74 K75 | N67-A71 PolarHBondContact O-N 3.42Å; R68-A71 PolarHBondContact O-N 3.04Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A71 PolarHBondContact O-N 3.01Å; A71-F74 PolarHBondContact O-N 3.12Å; A71-K75 WeakPolarHBondContact O-CB 3.38Å; A71-K75 PolarHBondContact O-N 2.61Å |
| 72 | E | 97.4 | Very high | 96.9 | Very high | 114 Ų | 114 | 106.5 Ų | 106.5 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.9 | -69.1 | -54.3 | 140.9 | 0 | 0 | 112.1 | R68 L69 F74 K75 K76 | R68-E72 PolarHBondContact O-N 3.29Å; L69-E72 PolarHBondContact O-N 3.25Å; E72-F74 VanDerWaalsContact C-N 3.32Å; E72-F74 PolarHBondContact O-N 3.01Å; E72-K75 PolarHBondContact O-N 3.12Å; E72-K76 WeakPolarHBondContact O-CB 3.5Å; E72-K76 PolarHBondContact O-N 2.89Å |
| 73 | V | 97.7 | Very high | 96.7 | Very high | 80 Ų | 80 | 108.2 Ų | 108.2 | 49% | 0.485 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L69 K76 K77 | L69-V73 WeakPolarHBondContact O-CG2 3.42Å; L69-V73 PolarHBondContact O-N 3.37Å; V73-K76 PolarHBondContact O-N 3.05Å; V73-K77 HydrophobicContact CG1-CD 4.28Å; V73-K77 WeakPolarHBondContact O-CG 3.41Å; V73-K77 PolarHBondContact O-N 3.04Å |
| 74 | F | 97.4 | Very high | 95.8 | Very high | 141 Ų | 141 | 111.3 Ų | 111.3 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -48 | 177.5 | 178.3 | -99.4 | 0 | 0 | 0 | 111.4 | R70 A71 E72 K76 K77 V78 | R70-F74 WeakPolarHBondContact O-CB 3.33Å; R70-F74 PolarHBondContact O-N 2.89Å; A71-F74 PolarHBondContact O-N 3.12Å; E72-F74 VanDerWaalsContact C-N 3.32Å; E72-F74 PolarHBondContact O-N 3.01Å; F74-K76 VanDerWaalsContact C-N 3.29Å; F74-K76 PolarHBondContact O-N 2.72Å; F74-K77 PolarHBondContact O-N 2.69Å; F74-V78 HydrophobicContact CD1-CG2 4.23Å; F74-V78 HydrophobicContact CD2-CG2 4.44Å; F74-V78 HydrophobicContact CE1-CG2 3.76Å; F74-V78 HydrophobicContact CE2-CG2 4Å; F74-V78 HydrophobicContact CZ-CG2 3.63Å; F74-V78 WeakPolarHBondContact O-CG2 3.44Å; F74-V78 PolarHBondContact O-N 3.46Å |
| 75 | K | 96.8 | Very high | 94.1 | Very high | 143 Ų | 143 | 119.7 Ų | 119.7 | 62% | 0.622 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.6 | -43.5 | 178.1 | -168 | -179.3 | -176 | -178 | 0 | 111.4 | A71 E72 L79 | A71-K75 WeakPolarHBondContact O-CB 3.38Å; A71-K75 PolarHBondContact O-N 2.61Å; E72-K75 PolarHBondContact O-N 3.12Å; K75-L79 WeakPolarHBondContact O-CB 3.48Å; K75-L79 PolarHBondContact O-N 3.31Å |
| 76 | K | 96.5 | Very high | 94 | Very high | 135 Ų | 135 | 119.7 Ų | 119.7 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.9 | -51.8 | 174.6 | -177.8 | 179 | 176.5 | -179.6 | 0 | 111.7 | E72 V73 F74 V78 L79 D80 | E72-K76 WeakPolarHBondContact O-CB 3.5Å; E72-K76 PolarHBondContact O-N 2.89Å; V73-K76 PolarHBondContact O-N 3.05Å; F74-K76 VanDerWaalsContact C-N 3.29Å; F74-K76 PolarHBondContact O-N 2.72Å; K76-V78 VanDerWaalsContact C-N 3.31Å; K76-V78 PolarHBondContact O-N 3.43Å; K76-L79 WeakPolarHBondContact O-CB 3.45Å; K76-L79 PolarHBondContact O-N 3.02Å; K76-L79 VanDerWaalsContact O-N 3.13Å; K76-D80 WeakPolarHBondContact CG-OD2 3.43Å; K76-D80 VanDerWaalsContact O-CG 3.23Å; K76-D80 PolarHBondContact O-N 3.42Å |
| 77 | K | 95.9 | Very high | 93.8 | Very high | 132 Ų | 132 | 122.7 Ų | 122.7 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58 | -42.1 | -179.6 | -74.4 | -179.5 | 176.8 | -170.7 | 0 | 112.9 | V73 F74 D80 Q81 | V73-K77 HydrophobicContact CG1-CD 4.28Å; V73-K77 WeakPolarHBondContact O-CG 3.41Å; V73-K77 PolarHBondContact O-N 3.04Å; F74-K77 PolarHBondContact O-N 2.69Å; K77-D80 PolarHBondContact O-N 3.49Å; K77-Q81 VanDerWaalsContact O-CG 3.31Å; K77-Q81 WeakPolarHBondContact O-CG 3.46Å; K77-Q81 PolarHBondContact O-N 2.91Å |
| 78 | V | 96.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 124 Ų | 124 | 30% | 0.297 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.2 | -43.6 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | F74 K76 Q81 I82 | F74-V78 HydrophobicContact CD1-CG2 4.23Å; F74-V78 HydrophobicContact CD2-CG2 4.44Å; F74-V78 HydrophobicContact CE1-CG2 3.76Å; F74-V78 HydrophobicContact CE2-CG2 4Å; F74-V78 HydrophobicContact CZ-CG2 3.63Å; F74-V78 WeakPolarHBondContact O-CG2 3.44Å; F74-V78 PolarHBondContact O-N 3.46Å; K76-V78 VanDerWaalsContact C-N 3.31Å; K76-V78 PolarHBondContact O-N 3.43Å; V78-Q81 PolarHBondContact O-N 2.95Å; V78-I82 HydrophobicContact CG1-CD1 3.81Å; V78-I82 VanDerWaalsContact O-CG1 3.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.49Å; V78-I82 PolarHBondContact O-N 3.25Å |
| 79 | L | 95.9 | Very high | 93.3 | Very high | 91 Ų | 91 | 121.6 Ų | 121.6 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.2 | -45 | 177.4 | -177.2 | 65 | 0 | 0 | 0 | 111.7 | K75 K76 Q81 I82 L83 | K75-L79 WeakPolarHBondContact O-CB 3.48Å; K75-L79 PolarHBondContact O-N 3.31Å; K76-L79 WeakPolarHBondContact O-CB 3.45Å; K76-L79 PolarHBondContact O-N 3.02Å; K76-L79 VanDerWaalsContact O-N 3.13Å; L79-Q81 VanDerWaalsContact C-N 3.3Å; L79-Q81 PolarHBondContact O-N 3.11Å; L79-I82 PolarHBondContact O-N 3.41Å; L79-L83 HydrophobicContact CD1-CD1 3.7Å; L79-L83 HydrophobicContact CD1-CG 3.93Å; L79-L83 HydrophobicContact CD2-CD1 4.35Å; L79-L83 HydrophobicContact CG-CD1 3.76Å; L79-L83 HydrophobicContact CG-CG 4.26Å; L79-L83 WeakPolarHBondContact O-CB 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 2.79Å |
| 80 | D | 95.2 | Very high | 93 | Very high | 57 Ų | 57 | 122.3 Ų | 122.3 | 31% | 0.305 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.8 | -42.4 | 178.4 | -66.1 | -17.4 | 0 | 0 | 0 | 110.5 | K76 K77 L83 Q84 R85 | K76-D80 WeakPolarHBondContact CG-OD2 3.43Å; K76-D80 VanDerWaalsContact O-CG 3.23Å; K76-D80 PolarHBondContact O-N 3.42Å; K77-D80 PolarHBondContact O-N 3.49Å; D80-L83 PolarHBondContact O-N 2.65Å; D80-Q84 PolarHBondContact O-N 2.86Å; D80-R85 PolarHBondContact O-N 3.22Å |
| 81 | Q | 93.5 | Very high | 92.7 | Very high | 150 Ų | 150 | 118.7 Ų | 118.7 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.9 | -43 | 174.3 | -74.8 | 176.1 | -10.8 | 0 | 0 | 113.3 | K77 V78 L79 Q84 | K77-Q81 VanDerWaalsContact O-CG 3.31Å; K77-Q81 WeakPolarHBondContact O-CG 3.46Å; K77-Q81 PolarHBondContact O-N 2.91Å; V78-Q81 PolarHBondContact O-N 2.95Å; L79-Q81 VanDerWaalsContact C-N 3.3Å; L79-Q81 PolarHBondContact O-N 3.11Å; Q81-Q84 PolarHBondContact O-N 2.76Å |
| 82 | I | 93.9 | Very high | 92.3 | Very high | 122 Ų | 122 | 123.8 Ų | 123.8 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69 | -42.1 | -179.9 | -68.7 | 167.6 | 0 | 0 | 0 | 110.9 | V78 L79 Q84 | V78-I82 HydrophobicContact CG1-CD1 3.81Å; V78-I82 VanDerWaalsContact O-CG1 3.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.49Å; V78-I82 PolarHBondContact O-N 3.25Å; L79-I82 PolarHBondContact O-N 3.41Å; I82-Q84 PolarHBondContact O-N 2.72Å |
| 83 | L | 93.2 | Very high | 91.9 | Very high | 86 Ų | 86 | 124.5 Ų | 124.5 | 45% | 0.45 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -80 | -2.6 | -178.7 | -64.3 | -179.1 | 0 | 0 | 0 | 113.2 | L79 D80 R85 | L79-L83 HydrophobicContact CD1-CD1 3.7Å; L79-L83 HydrophobicContact CD1-CG 3.93Å; L79-L83 HydrophobicContact CD2-CD1 4.35Å; L79-L83 HydrophobicContact CG-CD1 3.76Å; L79-L83 HydrophobicContact CG-CG 4.26Å; L79-L83 WeakPolarHBondContact O-CB 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 2.79Å; D80-L83 PolarHBondContact O-N 2.65Å; L83-R85 HydrophobicContact CB-CG 4.11Å; L83-R85 PolarHBondContact O-N 2.98Å |
| 84 | Q | 79.6 | Confident | 91.4 | Very high | 180 Ų | 180 | 128.3 Ų | 128.3 | 84% | 0.841 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.5 | 35.9 | -176.4 | -57.2 | -179.3 | -0.2 | 0 | 0 | 112.7 | D80 Q81 I82 | D80-Q84 PolarHBondContact O-N 2.86Å; Q81-Q84 PolarHBondContact O-N 2.76Å; I82-Q84 PolarHBondContact O-N 2.72Å |
| 85 | R | 62.4 | Low | 90.8 | Very high | 253 Ų | 253 | 127.1 Ų | 127.1 | 96% | 0.955 | 59% | 0.585 | S | S | * | * | trans | -96.4 | 0 | 178.1 | -72.7 | -174.3 | 178.2 | 177.9 | -0.7 | 111.6 | D80 L83 | D80-R85 PolarHBondContact O-N 3.22Å; L83-R85 HydrophobicContact CB-CG 4.11Å; L83-R85 PolarHBondContact O-N 2.98Å |
Retrieved 85 of 85 residues in 60.4 ms
(Link to these results)