| 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 | 48 | Very low | 52.4 | Low | 214 Ų | 214 | 136.9 Ų | 136.9 | 100% | 1.054 | 73% | 0.731 | S | S | * | * | 0 | 20 | 0 | -106 | -172.2 | -80.8 | 0 | 0 | 112.4 | V3 | M1-V3 PolarHBondContact O-N 3.42Š| |||
| 2 | E | 54 | Low | 51.9 | Low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -4.1 | -162.1 | -70.3 | 164.3 | 151.3 | 0 | 0 | 115.2 | N6 | E2-N6 PolarHBondContact O-ND2 3.4Š|
| 3 | V | 51.4 | Low | 51.5 | Low | 114 Ų | 114 | 136.3 Ų | 136.3 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -35.6 | -176.6 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | M1 N6 | M1-V3 PolarHBondContact O-N 3.42Å; V3-N6 PolarHBondContact O-N 3.18Å |
| 4 | E | 53 | Low | 51 | Low | 146 Ų | 146 | 144.4 Ų | 144.4 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -72.3 | -35.1 | 179.5 | -68.1 | 178.9 | 166.8 | 0 | 0 | 111.9 | N6 L7 E8 | E4-N6 PolarHBondContact O-N 3.46Å; E4-L7 PolarHBondContact O-N 3.11Å; E4-L7 VanDerWaalsContact O-N 3.11Å; E4-E8 PolarHBondContact O-N 3.34Å |
| 5 | K | 57.8 | Low | 50.6 | Low | 169 Ų | 169 | 142.7 Ų | 142.7 | 74% | 0.735 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -64.6 | -22.3 | 176.8 | -156.3 | 178.7 | -176.3 | -176.6 | 0 | 113.4 | ||
| 6 | N | 58.7 | Low | 50.5 | Low | 121 Ų | 121 | 139.1 Ų | 139.1 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -90.1 | -11.9 | 178.2 | -70.5 | -27.1 | 0 | 0 | 0 | 113.5 | E2 V3 E4 | E2-N6 PolarHBondContact O-ND2 3.4Å; V3-N6 PolarHBondContact O-N 3.18Å; E4-N6 PolarHBondContact O-N 3.46Å |
| 7 | L | 52.4 | Low | 50.4 | Low | 117 Ų | 117 | 136.8 Ų | 136.8 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -25.2 | 177.3 | -76.6 | 161.4 | 0 | 0 | 0 | 112.6 | E4 G9 | E4-L7 PolarHBondContact O-N 3.11Å; E4-L7 VanDerWaalsContact O-N 3.11Å; L7-G9 PolarHBondContact O-N 3.19Å |
| 8 | E | 52.3 | Low | 50.5 | Low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -12.4 | 174.8 | -74.2 | 174.6 | 152.4 | 0 | 0 | 113.5 | E4 | E4-E8 PolarHBondContact O-N 3.34Š|
| 9 | G | 51.6 | Low | 51.2 | Low | 64 Ų | 64 | 129.4 Ų | 129.4 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -8.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116.7 | L7 | L7-G9 PolarHBondContact O-N 3.19Š|
| 10 | T | 49.6 | Very low | 51.9 | Low | 115 Ų | 115 | 129.1 Ų | 129.1 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -113 | -2.4 | -172.2 | 51.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 11 | V | 47.9 | Very low | 52.9 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -95.4 | -5.3 | -177 | -170.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 12 | S | 46.2 | Very low | 53.9 | Low | 100 Ų | 100 | 121.7 Ų | 121.7 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | trans | -108.6 | 56.3 | -172.7 | -171.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 13 | N | 46.3 | Very low | 54.7 | Low | 166 Ų | 166 | 119 Ų | 119 | 89% | 0.888 | 68% | 0.677 | S | S | * | * | trans | -125.4 | 75.3 | 156.7 | -87 | -27.1 | 0 | 0 | 0 | 109.3 | ||||
| 14 | R | 45.3 | Very low | 55.9 | Low | 249 Ų | 249 | 120.1 Ų | 120.1 | 94% | 0.94 | 67% | 0.669 | S | S | * | * | trans | -69.2 | 115.5 | 159.3 | -82.6 | 178.5 | -179.1 | 177.9 | 0.3 | 109 | ||||
| 15 | S | 44.6 | Very low | 56.8 | Low | 120 Ų | 120 | 119 Ų | 119 | 84% | 0.839 | 66% | 0.664 | S | S | * | * | trans | -172.4 | 121.7 | 150.7 | -174 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 16 | A | 49.2 | Very low | 57.5 | Low | 85 Ų | 85 | 115.7 Ų | 115.7 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | cis | -142.9 | 167.9 | 6.3 | 0 | 0 | 0 | 0 | 0 | 107 | S18 | A16-S18 PolarHBondContact O-N 2.89Š| ||
| 17 | A | 49.2 | Very low | 58.2 | Low | 99 Ų | 99 | 115.4 Ų | 115.4 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -48.7 | 106.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T19 | A17-T19 PolarHBondContact O-N 3.37Å; A17-T19 VanDerWaalsContact O-N 3.1Å | ||
| 18 | S | 52 | Low | 59 | Low | 51 Ų | 51 | 114 Ų | 114 | 36% | 0.357 | 64% | 0.644 | S | S | . | * | trans | -63.3 | 115.1 | 171 | -171.8 | 0 | 0 | 0 | 0 | 106.6 | A16 E22 | A16-S18 PolarHBondContact O-N 2.89Å; S18-E22 VanDerWaalsContact CA-OE2 3.23Å; S18-E22 WeakPolarHBondContact CA-OE2 3.46Å; S18-E22 WeakPolarHBondContact CB-OE2 3.4Å; S18-E22 WeakPolarHBondContact OG-CB 3.35Å; S18-E22 PolarHBondContact OG-OE2 2.94Å | ||
| 19 | T | 63.7 | Low | 59.8 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | trans | -57.8 | 150.5 | 178.7 | 26.5 | 0 | 0 | 0 | 0 | 109.1 | A17 D21 E22 I23 | A17-T19 PolarHBondContact O-N 3.37Å; A17-T19 VanDerWaalsContact O-N 3.1Å; T19-D21 PolarHBondContact O-N 2.89Å; T19-E22 PolarHBondContact O-N 2.98Å; T19-I23 PolarHBondContact O-N 3.15Å | ||
| 20 | T | 65.5 | Low | 60.6 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -48.6 | -32.7 | 178.6 | 13.3 | 0 | 0 | 0 | 0 | 112.6 | R24 | T20-R24 WeakPolarHBondContact O-CB 3.23Å; T20-R24 PolarHBondContact O-N 2.88Å |
| 21 | D | 71.6 | Confident | 61.2 | Low | 94 Ų | 94 | 110.4 Ų | 110.4 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.5 | -36.1 | 175.5 | -80.6 | -40.8 | 0 | 0 | 0 | 114.7 | T19 R24 Q25 | T19-D21 PolarHBondContact O-N 2.89Å; D21-R24 WeakPolarHBondContact O-CB 3.33Å; D21-R24 PolarHBondContact O-N 2.74Å; D21-R24 IonicContact OD1-NE 2.89Å; D21-Q25 WeakPolarHBondContact O-CB 3.37Å; D21-Q25 VanDerWaalsContact O-CG 3.32Å; D21-Q25 WeakPolarHBondContact O-CG 3.36Å; D21-Q25 PolarHBondContact O-N 2.92Å |
| 22 | E | 69.8 | Low | 61.7 | Low | 94 Ų | 94 | 110.4 Ų | 110.4 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.4 | -37.8 | 177.2 | -74.6 | 176.3 | 174.9 | 0 | 0 | 111.7 | S18 T19 R24 Q25 N26 | S18-E22 VanDerWaalsContact CA-OE2 3.23Å; S18-E22 WeakPolarHBondContact CA-OE2 3.46Å; S18-E22 WeakPolarHBondContact CB-OE2 3.4Å; S18-E22 WeakPolarHBondContact OG-CB 3.35Å; S18-E22 PolarHBondContact OG-OE2 2.94Å; T19-E22 PolarHBondContact O-N 2.98Å; E22-R24 VanDerWaalsContact C-N 3.32Å; E22-Q25 PolarHBondContact O-N 3.27Å; E22-N26 WeakPolarHBondContact O-CB 3.49Å; E22-N26 PolarHBondContact O-N 2.73Å; E22-N26 PolarHBondContact O-ND2 3Å |
| 23 | I | 71.9 | Confident | 62.2 | Low | 103 Ų | 103 | 108.7 Ų | 108.7 | 53% | 0.528 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.1 | -44 | 171.7 | -60.9 | 176.2 | 0 | 0 | 0 | 109.3 | T19 N26 L27 | T19-I23 PolarHBondContact O-N 3.15Å; I23-N26 PolarHBondContact O-N 2.65Å; I23-L27 WeakPolarHBondContact O-CB 3.41Å; I23-L27 PolarHBondContact O-N 3.44Å |
| 24 | R | 74.5 | Confident | 62.7 | Low | 136 Ų | 136 | 107.1 Ų | 107.1 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.4 | -45.6 | 176.2 | -166.7 | -174.2 | 75.2 | 80.4 | -1 | 111.6 | T20 D21 E22 L27 M28 | T20-R24 WeakPolarHBondContact O-CB 3.23Å; T20-R24 PolarHBondContact O-N 2.88Å; D21-R24 WeakPolarHBondContact O-CB 3.33Å; D21-R24 PolarHBondContact O-N 2.74Å; D21-R24 IonicContact OD1-NE 2.89Å; E22-R24 VanDerWaalsContact C-N 3.32Å; R24-L27 PolarHBondContact O-N 3.48Å; R24-M28 VanDerWaalsContact O-CG 3.28Å; R24-M28 WeakPolarHBondContact O-CG 3.38Å; R24-M28 PolarHBondContact O-N 3.1Å |
| 25 | Q | 73.7 | Confident | 63 | Low | 124 Ų | 124 | 100.1 Ų | 100.1 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.7 | -43.5 | 177.3 | -78 | -177.1 | 10.4 | 0 | 0 | 112 | D21 E22 L27 M28 A29 | D21-Q25 WeakPolarHBondContact O-CB 3.37Å; D21-Q25 VanDerWaalsContact O-CG 3.32Å; D21-Q25 WeakPolarHBondContact O-CG 3.36Å; D21-Q25 PolarHBondContact O-N 2.92Å; E22-Q25 PolarHBondContact O-N 3.27Å; Q25-L27 VanDerWaalsContact C-N 3.3Å; Q25-L27 PolarHBondContact O-N 3.42Å; Q25-M28 PolarHBondContact O-N 2.91Å; Q25-A29 WeakPolarHBondContact O-CB 3.13Å; Q25-A29 PolarHBondContact O-N 3.38Å |
| 26 | N | 71.5 | Confident | 63.4 | Low | 98 Ų | 98 | 96.7 Ų | 96.7 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 175.8 | -89.3 | -52 | 0 | 0 | 0 | 112.5 | E22 I23 K30 | E22-N26 WeakPolarHBondContact O-CB 3.49Å; E22-N26 PolarHBondContact O-N 2.73Å; E22-N26 PolarHBondContact O-ND2 3Å; I23-N26 PolarHBondContact O-N 2.65Å; N26-K30 WeakPolarHBondContact O-CB 3.35Å; N26-K30 VanDerWaalsContact O-CG 3.29Å; N26-K30 WeakPolarHBondContact O-CG 3.5Å; N26-K30 PolarHBondContact O-N 3Å |
| 27 | L | 73.4 | Confident | 63.7 | Low | 116 Ų | 116 | 99.3 Ų | 99.3 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65 | -47.1 | 174.8 | -172.6 | 66.2 | 0 | 0 | 0 | 110.9 | I23 R24 Q25 K30 T31 | I23-L27 WeakPolarHBondContact O-CB 3.41Å; I23-L27 PolarHBondContact O-N 3.44Å; R24-L27 PolarHBondContact O-N 3.48Å; Q25-L27 VanDerWaalsContact C-N 3.3Å; Q25-L27 PolarHBondContact O-N 3.42Å; L27-K30 PolarHBondContact O-N 3.44Å; L27-T31 PolarHBondContact O-N 3.26Å; L27-T31 PolarHBondContact O-OG1 3.08Å |
| 28 | M | 69.5 | Low | 63.8 | Low | 88 Ų | 88 | 98.5 Ų | 98.5 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 177.3 | -68.3 | -64 | -64.7 | 0 | 0 | 112 | R24 Q25 K30 T31 E32 | R24-M28 VanDerWaalsContact O-CG 3.28Å; R24-M28 WeakPolarHBondContact O-CG 3.38Å; R24-M28 PolarHBondContact O-N 3.1Å; Q25-M28 PolarHBondContact O-N 2.91Å; M28-K30 VanDerWaalsContact C-N 3.32Å; M28-K30 PolarHBondContact O-N 3.23Å; M28-T31 WeakPolarHBondContact CA-OG1 3.32Å; M28-T31 PolarHBondContact O-N 2.86Å; M28-T31 PolarHBondContact O-OG1 3.3Å; M28-E32 WeakPolarHBondContact O-CG 3.4Å; M28-E32 PolarHBondContact O-N 2.99Å |
| 29 | A | 68.6 | Low | 63.9 | Low | 51 Ų | 51 | 98.3 Ų | 98.3 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q25 S33 | Q25-A29 WeakPolarHBondContact O-CB 3.13Å; Q25-A29 PolarHBondContact O-N 3.38Å; A29-S33 WeakPolarHBondContact O-CB 3.28Å; A29-S33 PolarHBondContact O-N 3.3Å |
| 30 | K | 69 | Low | 63.5 | Low | 145 Ų | 145 | 101 Ų | 101 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 174 | -78.3 | 178 | -178.4 | -179.8 | 0 | 111.5 | N26 L27 M28 E32 S33 Q34 | N26-K30 WeakPolarHBondContact O-CB 3.35Å; N26-K30 VanDerWaalsContact O-CG 3.29Å; N26-K30 WeakPolarHBondContact O-CG 3.5Å; N26-K30 PolarHBondContact O-N 3Å; L27-K30 PolarHBondContact O-N 3.44Å; M28-K30 VanDerWaalsContact C-N 3.32Å; M28-K30 PolarHBondContact O-N 3.23Å; K30-E32 PolarHBondContact O-N 2.9Å; K30-S33 PolarHBondContact O-N 3.42Å; K30-Q34 WeakPolarHBondContact O-CB 3.49Å; K30-Q34 PolarHBondContact O-N 2.8Å |
| 31 | T | 62 | Low | 63 | Low | 68 Ų | 68 | 101.9 Ų | 101.9 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 177 | 47.4 | 0 | 0 | 0 | 0 | 111.8 | L27 M28 Q34 V35 | L27-T31 PolarHBondContact O-N 3.26Å; L27-T31 PolarHBondContact O-OG1 3.08Å; M28-T31 WeakPolarHBondContact CA-OG1 3.32Å; M28-T31 PolarHBondContact O-N 2.86Å; M28-T31 PolarHBondContact O-OG1 3.3Å; T31-Q34 PolarHBondContact O-N 3.03Å; T31-V35 WeakPolarHBondContact O-CB 3.27Å; T31-V35 WeakPolarHBondContact O-CG2 3.48Å; T31-V35 PolarHBondContact O-N 2.92Å |
| 32 | E | 58 | Low | 61.8 | Low | 126 Ų | 126 | 99.9 Ų | 99.9 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.9 | -41.7 | 177.3 | -72.6 | 171.9 | -166 | 0 | 0 | 112.2 | M28 K30 Q34 V35 A36 | M28-E32 WeakPolarHBondContact O-CG 3.4Å; M28-E32 PolarHBondContact O-N 2.99Å; K30-E32 PolarHBondContact O-N 2.9Å; E32-Q34 VanDerWaalsContact C-N 3.28Å; E32-Q34 PolarHBondContact O-N 3.24Å; E32-V35 PolarHBondContact O-N 3.04Å; E32-A36 WeakPolarHBondContact O-CB 3.38Å; E32-A36 PolarHBondContact O-N 2.97Å |
| 33 | S | 57.1 | Low | 61 | Low | 63 Ų | 63 | 101.5 Ų | 101.5 | 44% | 0.441 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.7 | -34.8 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | A29 K30 K37 | A29-S33 WeakPolarHBondContact O-CB 3.28Å; A29-S33 PolarHBondContact O-N 3.3Å; K30-S33 PolarHBondContact O-N 3.42Å; S33-K37 WeakPolarHBondContact O-CG 3.4Å; S33-K37 PolarHBondContact O-N 2.93Å; S33-K37 VanDerWaalsContact O-N 3.07Å |
| 34 | Q | 56.4 | Low | 60 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 62% | 0.621 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.6 | -37.9 | 177.8 | -160.1 | 142 | -0.1 | 0 | 0 | 111.8 | K30 T31 E32 A36 K37 C38 | K30-Q34 WeakPolarHBondContact O-CB 3.49Å; K30-Q34 PolarHBondContact O-N 2.8Å; T31-Q34 PolarHBondContact O-N 3.03Å; E32-Q34 VanDerWaalsContact C-N 3.28Å; E32-Q34 PolarHBondContact O-N 3.24Å; Q34-A36 VanDerWaalsContact C-N 3.3Å; Q34-A36 PolarHBondContact O-N 3.43Å; Q34-K37 PolarHBondContact O-N 3.3Å; Q34-C38 WeakPolarHBondContact O-CB 3.41Å; Q34-C38 PolarHBondContact O-N 3.4Å; Q34-C38 PolarHBondContact O-SG 2.97Å; Q34-C38 VanDerWaalsContact O-SG 3.38Å |
| 35 | V | 52 | Low | 58.9 | Low | 102 Ų | 102 | 107.1 Ų | 107.1 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.6 | -42 | 170.7 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | T31 E32 C38 A39 | T31-V35 WeakPolarHBondContact O-CB 3.27Å; T31-V35 WeakPolarHBondContact O-CG2 3.48Å; T31-V35 PolarHBondContact O-N 2.92Å; E32-V35 PolarHBondContact O-N 3.04Å; V35-C38 PolarHBondContact O-N 3.3Å; V35-A39 WeakPolarHBondContact O-CB 3.29Å; V35-A39 PolarHBondContact O-N 3.36Å |
| 36 | A | 53.8 | Low | 57.8 | Low | 48 Ų | 48 | 105.4 Ų | 105.4 | 40% | 0.397 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.7 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E32 Q34 A39 I40 | E32-A36 WeakPolarHBondContact O-CB 3.38Å; E32-A36 PolarHBondContact O-N 2.97Å; Q34-A36 VanDerWaalsContact C-N 3.3Å; Q34-A36 PolarHBondContact O-N 3.43Å; A36-A39 PolarHBondContact O-N 2.71Å; A36-I40 WeakPolarHBondContact O-CB 3.33Å; A36-I40 WeakPolarHBondContact O-CD1 3.34Å; A36-I40 WeakPolarHBondContact O-CG1 3.41Å; A36-I40 PolarHBondContact O-N 2.89Å |
| 37 | K | 54 | Low | 57.1 | Low | 140 Ų | 140 | 108.6 Ų | 108.6 | 61% | 0.609 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.3 | -38.3 | 177.5 | -74 | 178.1 | -175.2 | 179.7 | 0 | 112.6 | S33 Q34 | S33-K37 WeakPolarHBondContact O-CG 3.4Å; S33-K37 PolarHBondContact O-N 2.93Å; S33-K37 VanDerWaalsContact O-N 3.07Å; Q34-K37 PolarHBondContact O-N 3.3Å |
| 38 | C | 51.5 | Low | 56.3 | Low | 83 Ų | 83 | 107.8 Ų | 107.8 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.5 | -35.6 | 175 | -68.5 | 0 | 0 | 0 | 0 | 112 | Q34 V35 L41 G42 | Q34-C38 WeakPolarHBondContact O-CB 3.41Å; Q34-C38 PolarHBondContact O-N 3.4Å; Q34-C38 PolarHBondContact O-SG 2.97Å; Q34-C38 VanDerWaalsContact O-SG 3.38Å; V35-C38 PolarHBondContact O-N 3.3Å; C38-L41 PolarHBondContact O-N 2.88Å; C38-G42 PolarHBondContact O-N 2.79Å |
| 39 | A | 54.1 | Low | 55.6 | Low | 46 Ų | 46 | 108.4 Ų | 108.4 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.2 | -33.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V35 A36 L41 G42 | V35-A39 WeakPolarHBondContact O-CB 3.29Å; V35-A39 PolarHBondContact O-N 3.36Å; A36-A39 PolarHBondContact O-N 2.71Å; A39-L41 PolarHBondContact O-N 3.2Å; A39-G42 PolarHBondContact O-N 2.9Å |
| 40 | I | 54.8 | Low | 55.2 | Low | 141 Ų | 141 | 112.1 Ų | 112.1 | 72% | 0.723 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.4 | -22.4 | 176.6 | -68.5 | 164.8 | 0 | 0 | 0 | 111.7 | A36 | A36-I40 WeakPolarHBondContact O-CB 3.33Å; A36-I40 WeakPolarHBondContact O-CD1 3.34Å; A36-I40 WeakPolarHBondContact O-CG1 3.41Å; A36-I40 PolarHBondContact O-N 2.89Å |
| 41 | L | 55 | Low | 54.7 | Low | 141 Ų | 141 | 111.7 Ų | 111.7 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -95.6 | -8.8 | 176.7 | -89.3 | 149.7 | 0 | 0 | 0 | 114.1 | C38 A39 | C38-L41 PolarHBondContact O-N 2.88Å; A39-L41 PolarHBondContact O-N 3.2Å |
| 42 | G | 47.7 | Very low | 54.6 | Low | 52 Ų | 52 | 111.5 Ų | 111.5 | 54% | 0.536 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -110.7 | 0.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | C38 A39 | C38-G42 PolarHBondContact O-N 2.79Å; A39-G42 PolarHBondContact O-N 2.9Å |
| 43 | N | 51.9 | Low | 54.9 | Low | 128 Ų | 128 | 112 Ų | 112 | 68% | 0.684 | 61% | 0.613 | S | S | * | * | trans | -100.8 | 29.6 | -178.7 | -75.3 | -11.6 | 0 | 0 | 0 | 113.6 | F45 | N43-F45 PolarHBondContact O-N 3.11Š| ||
| 44 | Y | 52.4 | Low | 55.3 | Low | 203 Ų | 203 | 115.3 Ų | 115.3 | 80% | 0.796 | 63% | 0.633 | S | S | * | * | trans | -74.9 | 102 | 152.1 | -69.1 | -80.7 | 0 | 0 | 0 | 105.2 | D46 | Y44-D46 PolarHBondContact O-N 3Š| ||
| 45 | F | 50.5 | Low | 55.9 | Low | 153 Ų | 153 | 113.2 Ų | 113.2 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | trans | -57.7 | 97.3 | 158.8 | -76.7 | -87.3 | 0 | 0 | 0 | 105.6 | N43 D47 F56 | N43-F45 PolarHBondContact O-N 3.11Å; F45-D47 PolarHBondContact O-N 2.81Å; F45-D47 VanDerWaalsContact O-N 3.11Å; F45-F56 HydrophobicContact CE1-CE1 4.4Å; F45-F56 HydrophobicContact CE1-CZ 4.05Å; F45-F56 HydrophobicContact CZ-CZ 4.43Å | ||
| 46 | D | 51.5 | Low | 56.5 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | trans | -68.7 | 106.6 | 166.6 | -158.1 | -21.5 | 0 | 0 | 0 | 104.8 | Y44 T48 D49 | Y44-D46 PolarHBondContact O-N 3Å; D46-T48 PolarHBondContact O-N 3.2Å; D46-T48 WeakPolarHBondContact OD1-CB 3.36Å; D46-T48 PolarHBondContact OD1-N 3.01Å; D46-T48 PolarHBondContact OD1-OG1 2.97Å; D46-T48 PolarHBondContact OD2-OG1 2.74Å; D46-D49 PolarHBondContact O-N 2.92Å | ||
| 47 | D | 55.5 | Low | 57.2 | Low | 165 Ų | 165 | 112.9 Ų | 112.9 | 88% | 0.882 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -2 | 175.3 | -85.8 | -27.3 | 0 | 0 | 0 | 111.8 | F45 | F45-D47 PolarHBondContact O-N 2.81Å; F45-D47 VanDerWaalsContact O-N 3.11Å |
| 48 | T | 57.6 | Low | 57.8 | Low | 99 Ų | 99 | 111.8 Ų | 111.8 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -1.7 | 175 | 71.1 | 0 | 0 | 0 | 0 | 114.9 | D46 V50 | D46-T48 PolarHBondContact O-N 3.2Å; D46-T48 WeakPolarHBondContact OD1-CB 3.36Å; D46-T48 PolarHBondContact OD1-N 3.01Å; D46-T48 PolarHBondContact OD1-OG1 2.97Å; D46-T48 PolarHBondContact OD2-OG1 2.74Å; T48-V50 WeakPolarHBondContact O-CG2 3.4Å; T48-V50 PolarHBondContact O-N 3.19Å |
| 49 | D | 55.5 | Low | 58.6 | Low | 101 Ų | 101 | 111.9 Ų | 111.9 | 54% | 0.54 | 62% | 0.623 | S | S | . | * | trans | -67.3 | 106.6 | 174.8 | -87.4 | -22.5 | 0 | 0 | 0 | 110.7 | D46 D51 R58 | D46-D49 PolarHBondContact O-N 2.92Å; D49-D51 PolarHBondContact O-N 3.3Å; D49-R58 PolarHBondContact O-NH2 3.4Å | ||
| 50 | V | 58.8 | Low | 59.5 | Low | 129 Ų | 129 | 115 Ų | 115 | 78% | 0.782 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -64.7 | -21.4 | -170.7 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | T48 | T48-V50 WeakPolarHBondContact O-CG2 3.4Å; T48-V50 PolarHBondContact O-N 3.19Å |
| 51 | D | 59.3 | Low | 60.2 | Low | 136 Ų | 136 | 110.3 Ų | 110.3 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -122.1 | 117.5 | -179.7 | -72.3 | -40.2 | 0 | 0 | 0 | 112.1 | D49 M53 | D49-D51 PolarHBondContact O-N 3.3Å; D51-M53 PolarHBondContact O-N 2.99Å |
| 52 | P | 60.4 | Low | 60.8 | Low | 64 Ų | 64 | 112.7 Ų | 112.7 | 42% | 0.416 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 134.5 | 169.3 | 25.6 | -30.3 | 0 | 0 | 0 | 109.7 | R58 | P52-R58 HydrophobicContact CB-CG 4.34Š|
| 53 | M | 63.6 | Low | 61.9 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 68% | 0.68 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 133.2 | 173.1 | -173.2 | 158.5 | 55.3 | 0 | 0 | 110.1 | D51 G55 F56 | D51-M53 PolarHBondContact O-N 2.99Å; M53-G55 PolarHBondContact O-N 2.87Å; M53-G55 VanDerWaalsContact O-N 3.16Å; M53-F56 HydrophobicContact CB-CB 4.07Å; M53-F56 WeakPolarHBondContact O-CB 3.37Å; M53-F56 PolarHBondContact O-N 3.31Å |
| 54 | P | 65 | Low | 62.9 | Low | 131 Ų | 131 | 115.3 Ų | 115.3 | 85% | 0.851 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 124 | -175.4 | -24.6 | 31.9 | 0 | 0 | 0 | 111.4 | ||
| 55 | G | 68.6 | Low | 63.7 | Low | 90 Ų | 90 | 113.9 Ų | 113.9 | 93% | 0.928 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.2 | -2.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | M53 D57 | M53-G55 PolarHBondContact O-N 2.87Å; M53-G55 VanDerWaalsContact O-N 3.16Å; G55-D57 PolarHBondContact O-N 3.17Å |
| 56 | F | 65.9 | Low | 64.6 | Low | 66 Ų | 66 | 112.6 Ų | 112.6 | 29% | 0.289 | 60% | 0.598 | S | S | . | * | trans | -86 | 98.7 | 173.5 | -170.4 | -102.7 | 0 | 0 | 0 | 110.9 | F45 M53 R58 T61 | F45-F56 HydrophobicContact CE1-CE1 4.4Å; F45-F56 HydrophobicContact CE1-CZ 4.05Å; F45-F56 HydrophobicContact CZ-CZ 4.43Å; M53-F56 HydrophobicContact CB-CB 4.07Å; M53-F56 WeakPolarHBondContact O-CB 3.37Å; M53-F56 PolarHBondContact O-N 3.31Å; F56-R58 HydrophobicContact CD1-CG 3.8Å; F56-R58 HydrophobicContact CE1-CG 3.84Å; F56-R58 PolarHBondContact O-N 3.07Å; F56-R58 VanDerWaalsContact O-N 3.13Å; F56-T61 HydrophobicContact CE2-CG2 4.47Å; F56-T61 WeakPolarHBondContact CE2-OG1 3.39Å; F56-T61 HydrophobicContact CZ-CG2 3.92Å; F56-T61 VanDerWaalsContact CZ-OG1 3.26Å; F56-T61 WeakPolarHBondContact CZ-OG1 3.37Å | ||
| 57 | D | 68.9 | Low | 65.6 | Low | 77 Ų | 77 | 112.8 Ų | 112.8 | 41% | 0.412 | 61% | 0.606 | S | S | . | * | trans | -76.4 | 99.6 | 171.7 | -173.7 | -5.6 | 0 | 0 | 0 | 110 | G55 T59 L60 T61 | G55-D57 PolarHBondContact O-N 3.17Å; D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 PolarHBondContact O-N 2.99Å; D57-T59 WeakPolarHBondContact OD1-CA 3.39Å; D57-T59 VanDerWaalsContact OD1-CB 3.3Å; D57-T59 WeakPolarHBondContact OD1-CB 3.2Å; D57-T59 PolarHBondContact OD1-N 3.35Å; D57-T59 PolarHBondContact OD1-OG1 3.1Å; D57-T59 PolarHBondContact OD2-OG1 3.1Å; D57-L60 HydrophobicContact CB-CB 3.75Å; D57-L60 PolarHBondContact O-N 2.91Å; D57-L60 PolarHBondContact OD1-N 2.68Å; D57-T61 PolarHBondContact O-N 3Å; D57-T61 PolarHBondContact O-OG1 2.99Å | ||
| 58 | R | 66 | Low | 66.1 | Low | 116 Ų | 116 | 107.3 Ų | 107.3 | 44% | 0.438 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -56.3 | -30.8 | 174.4 | -71.3 | -177.2 | 173.2 | 169.4 | 0.4 | 111.7 | D49 P52 F56 R62 | D49-R58 PolarHBondContact O-NH2 3.4Å; P52-R58 HydrophobicContact CB-CG 4.34Å; F56-R58 HydrophobicContact CD1-CG 3.8Å; F56-R58 HydrophobicContact CE1-CG 3.84Å; F56-R58 PolarHBondContact O-N 3.07Å; F56-R58 VanDerWaalsContact O-N 3.13Å; R58-R62 WeakPolarHBondContact O-CB 3.46Å; R58-R62 PolarHBondContact O-N 3.41Å |
| 59 | T | 68.2 | Low | 66.6 | Low | 86 Ų | 86 | 105.4 Ų | 105.4 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.7 | -36.9 | -179.8 | 76.1 | 0 | 0 | 0 | 0 | 112.1 | D57 R62 R63 | D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 PolarHBondContact O-N 2.99Å; D57-T59 WeakPolarHBondContact OD1-CA 3.39Å; D57-T59 VanDerWaalsContact OD1-CB 3.3Å; D57-T59 WeakPolarHBondContact OD1-CB 3.2Å; D57-T59 PolarHBondContact OD1-N 3.35Å; D57-T59 PolarHBondContact OD1-OG1 3.1Å; D57-T59 PolarHBondContact OD2-OG1 3.1Å; T59-R62 PolarHBondContact O-N 3.4Å; T59-R63 PolarHBondContact O-N 3.41Å |
| 60 | L | 73.1 | Confident | 67 | Low | 111 Ų | 111 | 106.7 Ų | 106.7 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.1 | -44.1 | 172.7 | -176.4 | 66.6 | 0 | 0 | 0 | 111 | D57 R62 R63 A64 | D57-L60 HydrophobicContact CB-CB 3.75Å; D57-L60 PolarHBondContact O-N 2.91Å; D57-L60 PolarHBondContact OD1-N 2.68Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 3.21Å; L60-R63 PolarHBondContact O-N 3.31Å; L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 2.76Å |
| 61 | T | 68 | Low | 67.5 | Low | 43 Ų | 43 | 107.2 Ų | 107.2 | 26% | 0.264 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 178.5 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | F56 D57 A64 W65 | F56-T61 HydrophobicContact CE2-CG2 4.47Å; F56-T61 WeakPolarHBondContact CE2-OG1 3.39Å; F56-T61 HydrophobicContact CZ-CG2 3.92Å; F56-T61 VanDerWaalsContact CZ-OG1 3.26Å; F56-T61 WeakPolarHBondContact CZ-OG1 3.37Å; D57-T61 PolarHBondContact O-N 3Å; D57-T61 PolarHBondContact O-OG1 2.99Å; T61-A64 PolarHBondContact O-N 3.13Å; T61-W65 VanDerWaalsContact O-CD1 3.28Å; T61-W65 PolarHBondContact O-N 2.93Å |
| 62 | R | 67.7 | Low | 67.5 | Low | 190 Ų | 190 | 107.4 Ų | 107.4 | 72% | 0.717 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.4 | -44.7 | 175.9 | -159.3 | 172.9 | -165.5 | 166.5 | 5.7 | 112.1 | R58 T59 L60 A64 W65 D66 | R58-R62 WeakPolarHBondContact O-CB 3.46Å; R58-R62 PolarHBondContact O-N 3.41Å; T59-R62 PolarHBondContact O-N 3.4Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 3.21Å; R62-A64 VanDerWaalsContact C-N 3.31Å; R62-A64 PolarHBondContact O-N 3.33Å; R62-W65 WeakPolarHBondContact O-CB 3.4Å; R62-W65 PolarHBondContact O-N 3.41Å; R62-W65 VanDerWaalsContact O-N 3.17Å; R62-D66 VanDerWaalsContact O-CG 3.29Å; R62-D66 PolarHBondContact O-N 3.07Å |
| 63 | R | 71.8 | Confident | 67.3 | Low | 183 Ų | 183 | 107.1 Ų | 107.1 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.2 | -37.8 | 173.2 | -80.7 | -174.1 | -169.4 | 160.2 | 6 | 113 | T59 L60 W65 D66 S67 | T59-R63 PolarHBondContact O-N 3.41Å; L60-R63 PolarHBondContact O-N 3.31Å; R63-W65 VanDerWaalsContact C-N 3.31Å; R63-D66 PolarHBondContact O-N 3.38Å; R63-S67 PolarHBondContact O-N 3.5Å; R63-S67 VanDerWaalsContact O-N 3.09Å |
| 64 | A | 72.3 | Confident | 67.1 | Low | 52 Ų | 52 | 106.9 Ų | 106.9 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.5 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L60 T61 R62 S67 V68 | L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 2.76Å; T61-A64 PolarHBondContact O-N 3.13Å; R62-A64 VanDerWaalsContact C-N 3.31Å; R62-A64 PolarHBondContact O-N 3.33Å; A64-S67 PolarHBondContact O-N 2.89Å; A64-S67 PolarHBondContact O-OG 3.48Å; A64-V68 PolarHBondContact O-N 3.38Å |
| 65 | W | 70.7 | Confident | 66.7 | Low | 174 Ų | 174 | 106.7 Ų | 106.7 | 66% | 0.659 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.1 | -38.6 | 173 | -84.5 | 108.6 | 0 | 0 | 0 | 113.5 | T61 R62 R63 S67 V68 | T61-W65 VanDerWaalsContact O-CD1 3.28Å; T61-W65 PolarHBondContact O-N 2.93Å; R62-W65 WeakPolarHBondContact O-CB 3.4Å; R62-W65 PolarHBondContact O-N 3.41Å; R62-W65 VanDerWaalsContact O-N 3.17Å; R63-W65 VanDerWaalsContact C-N 3.31Å; W65-S67 PolarHBondContact O-N 3.03Å; W65-V68 HydrophobicContact CE3-CB 4.46Å; W65-V68 HydrophobicContact CE3-CG2 4Å; W65-V68 HydrophobicContact CZ3-CG2 4.45Å; W65-V68 VanDerWaalsContact O-CB 3.3Å; W65-V68 WeakPolarHBondContact O-CB 3.12Å; W65-V68 PolarHBondContact O-N 3.17Å; W65-V68 VanDerWaalsContact O-N 3.08Å |
| 66 | D | 69.4 | Low | 66.1 | Low | 126 Ų | 126 | 105.8 Ų | 105.8 | 67% | 0.674 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.6 | -23.7 | 176.1 | -64.3 | -29.5 | 0 | 0 | 0 | 112.5 | R62 R63 V68 | R62-D66 VanDerWaalsContact O-CG 3.29Å; R62-D66 PolarHBondContact O-N 3.07Å; R63-D66 PolarHBondContact O-N 3.38Å; D66-V68 VanDerWaalsContact C-N 3.35Å |
| 67 | S | 71.7 | Confident | 65.5 | Low | 91 Ų | 91 | 109.4 Ų | 109.4 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -9.6 | 175.1 | 76.4 | 0 | 0 | 0 | 0 | 114 | R63 A64 W65 P69 | R63-S67 PolarHBondContact O-N 3.5Å; R63-S67 VanDerWaalsContact O-N 3.09Å; A64-S67 PolarHBondContact O-N 2.89Å; A64-S67 PolarHBondContact O-OG 3.48Å; W65-S67 PolarHBondContact O-N 3.03Å; S67-P69 WeakPolarHBondContact O-CD 3.35Å |
| 68 | V | 64.7 | Low | 64.8 | Low | 50 Ų | 50 | 111.3 Ų | 111.3 | 30% | 0.303 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -70.9 | 120.9 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 108.5 | A64 W65 D66 T70 W72 | A64-V68 PolarHBondContact O-N 3.38Å; W65-V68 HydrophobicContact CE3-CB 4.46Å; W65-V68 HydrophobicContact CE3-CG2 4Å; W65-V68 HydrophobicContact CZ3-CG2 4.45Å; W65-V68 VanDerWaalsContact O-CB 3.3Å; W65-V68 WeakPolarHBondContact O-CB 3.12Å; W65-V68 PolarHBondContact O-N 3.17Å; W65-V68 VanDerWaalsContact O-N 3.08Å; D66-V68 VanDerWaalsContact C-N 3.35Å; V68-T70 PolarHBondContact O-N 3.44Å; V68-W72 HydrophobicContact CG1-CB 3.44Å; V68-W72 VanDerWaalsContact CG1-CB 3.44Å; V68-W72 HydrophobicContact CG1-CG 4Å |
| 69 | P | 68.5 | Low | 64.4 | Low | 59 Ų | 59 | 115.4 Ų | 115.4 | 38% | 0.383 | 59% | 0.594 | S | S | . | * | trans | -55.7 | 135.5 | 178.9 | -26.2 | 34.8 | 0 | 0 | 0 | 111.3 | S67 Y71 W72 | S67-P69 WeakPolarHBondContact O-CD 3.35Å; P69-Y71 HydrophobicContact CB-CD1 3.41Å; P69-Y71 VanDerWaalsContact CB-CD1 3.41Å; P69-Y71 HydrophobicContact CB-CE1 3.09Å; P69-Y71 HydrophobicContact CB-CG 4.32Å; P69-Y71 HydrophobicContact CG-CE1 3.77Å; P69-Y71 PolarHBondContact O-N 2.87Å; P69-W72 WeakPolarHBondContact O-CB 3.15Å; P69-W72 PolarHBondContact O-N 3.26Å | ||
| 70 | T | 65.4 | Low | 63.7 | Low | 128 Ų | 128 | 122.6 Ų | 122.6 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -53.6 | -23.7 | -175.8 | 37.3 | 0 | 0 | 0 | 0 | 114.5 | V68 W72 A73 | V68-T70 PolarHBondContact O-N 3.44Å; T70-W72 VanDerWaalsContact C-N 3.28Å; T70-W72 PolarHBondContact O-N 2.93Å; T70-A73 WeakPolarHBondContact O-CB 3.46Å; T70-A73 PolarHBondContact O-N 2.76Å |
| 71 | Y | 68.2 | Low | 62.7 | Low | 140 Ų | 140 | 123.4 Ų | 123.4 | 55% | 0.549 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.4 | -21.4 | 174.7 | 70.6 | -98.8 | 0 | 0 | 0 | 113.9 | P69 N74 L75 | P69-Y71 HydrophobicContact CB-CD1 3.41Å; P69-Y71 VanDerWaalsContact CB-CD1 3.41Å; P69-Y71 HydrophobicContact CB-CE1 3.09Å; P69-Y71 HydrophobicContact CB-CG 4.32Å; P69-Y71 HydrophobicContact CG-CE1 3.77Å; P69-Y71 PolarHBondContact O-N 2.87Å; Y71-N74 PolarHBondContact O-N 2.82Å; Y71-L75 HydrophobicContact CD2-CD1 4.14Å; Y71-L75 PolarHBondContact O-N 3.41Å |
| 72 | W | 60.2 | Low | 62.1 | Low | 141 Ų | 141 | 130 Ų | 130 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -72.6 | -30.2 | 173.6 | -84.8 | 72.8 | 0 | 0 | 0 | 112.6 | V68 P69 T70 N74 L75 A76 | V68-W72 HydrophobicContact CG1-CB 3.44Å; V68-W72 VanDerWaalsContact CG1-CB 3.44Å; V68-W72 HydrophobicContact CG1-CG 4Å; P69-W72 WeakPolarHBondContact O-CB 3.15Å; P69-W72 PolarHBondContact O-N 3.26Å; T70-W72 VanDerWaalsContact C-N 3.28Å; T70-W72 PolarHBondContact O-N 2.93Å; W72-N74 PolarHBondContact O-N 3.17Å; W72-L75 WeakPolarHBondContact O-CB 3.3Å; W72-L75 PolarHBondContact O-N 3.06Å; W72-A76 PolarHBondContact O-N 3.2Å |
| 73 | A | 56.3 | Low | 61.1 | Low | 57 Ų | 57 | 129.6 Ų | 129.6 | 47% | 0.471 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -59.4 | -35 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T70 L75 Q77 | T70-A73 WeakPolarHBondContact O-CB 3.46Å; T70-A73 PolarHBondContact O-N 2.76Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 2.9Å; A73-Q77 WeakPolarHBondContact O-CG 3.46Å; A73-Q77 PolarHBondContact O-N 3.31Å |
| 74 | N | 59.2 | Low | 59.9 | Low | 133 Ų | 133 | 127.1 Ų | 127.1 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.7 | -18.9 | 175.3 | -66.7 | -25.8 | 0 | 0 | 0 | 114.1 | Y71 W72 | Y71-N74 PolarHBondContact O-N 2.82Å; W72-N74 PolarHBondContact O-N 3.17Å |
| 75 | L | 56 | Low | 59.1 | Low | 127 Ų | 127 | 133.6 Ų | 133.6 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -86.3 | -33.5 | 174.4 | -86.9 | 145.8 | 0 | 0 | 0 | 112.2 | Y71 W72 A73 | Y71-L75 HydrophobicContact CD2-CD1 4.14Å; Y71-L75 PolarHBondContact O-N 3.41Å; W72-L75 WeakPolarHBondContact O-CB 3.3Å; W72-L75 PolarHBondContact O-N 3.06Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 2.9Å |
| 76 | A | 56.9 | Low | 58.1 | Low | 72 Ų | 72 | 131.7 Ų | 131.7 | 60% | 0.595 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -87.5 | -15.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W72 P78 | W72-A76 PolarHBondContact O-N 3.2Å; A76-P78 VanDerWaalsContact O-CD 3.3Å; A76-P78 WeakPolarHBondContact O-CD 3.18Å |
| 77 | Q | 53.4 | Low | 57.3 | Low | 142 Ų | 142 | 133.1 Ų | 133.1 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -66.2 | 120.6 | 171.1 | -65.5 | -138.1 | -17.9 | 0 | 0 | 109.1 | A73 K79 | A73-Q77 WeakPolarHBondContact O-CG 3.46Å; A73-Q77 PolarHBondContact O-N 3.31Å; Q77-K79 PolarHBondContact O-N 2.99Å |
| 78 | P | 52.9 | Low | 56.4 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | trans | -56.5 | 116 | 168.1 | 22.5 | -29.3 | 0 | 0 | 0 | 106.5 | A76 R80 | A76-P78 VanDerWaalsContact O-CD 3.3Å; A76-P78 WeakPolarHBondContact O-CD 3.18Å; P78-R80 PolarHBondContact O-N 3.4Å | ||
| 79 | K | 58.4 | Low | 55.5 | Low | 202 Ų | 202 | 135.5 Ų | 135.5 | 88% | 0.878 | 71% | 0.713 | S | S | * | * | trans | -48.4 | 111.4 | 169.4 | -77.1 | -176.9 | 177 | -179.5 | 0 | 105.6 | Q77 T81 | Q77-K79 PolarHBondContact O-N 2.99Å; K79-T81 PolarHBondContact O-N 3.01Å | ||
| 80 | R | 52.2 | Low | 54.7 | Low | 236 Ų | 236 | 139.4 Ų | 139.4 | 89% | 0.891 | 74% | 0.736 | S | S | * | * | trans | -42.7 | 123.7 | 173.4 | -79.3 | -179.2 | 171.9 | 139.4 | -1.5 | 106 | P78 E82 | P78-R80 PolarHBondContact O-N 3.4Å; R80-E82 VanDerWaalsContact C-N 3.31Å; R80-E82 PolarHBondContact O-N 3.39Å | ||
| 81 | T | 52.6 | Low | 53.9 | Low | 129 Ų | 129 | 141.6 Ų | 141.6 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -48.2 | 106.1 | 169.3 | 38.2 | 0 | 0 | 0 | 0 | 105.9 | K79 Q83 | K79-T81 PolarHBondContact O-N 3.01Å; T81-Q83 PolarHBondContact O-N 2.78Å | ||
| 82 | E | 56.5 | Low | 52.9 | Low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -48.1 | 121.9 | 167.1 | -81.6 | -170.8 | 160.4 | 0 | 0 | 105.2 | R80 V84 | R80-E82 VanDerWaalsContact C-N 3.31Å; R80-E82 PolarHBondContact O-N 3.39Å; E82-V84 PolarHBondContact O-N 3.05Å | ||
| 83 | Q | 46.7 | Very low | 52.2 | Low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -38.4 | 109.8 | -177.5 | -68.2 | 168.4 | -13.7 | 0 | 0 | 108.7 | T81 K85 | T81-Q83 PolarHBondContact O-N 2.78Å; Q83-K85 PolarHBondContact O-N 2.94Å | ||
| 84 | V | 45.5 | Very low | 51.8 | Low | 132 Ų | 132 | 141.2 Ų | 141.2 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -59.3 | 98.5 | 164.7 | 175.2 | 0 | 0 | 0 | 0 | 104.1 | E82 T86 | E82-V84 PolarHBondContact O-N 3.05Å; V84-T86 PolarHBondContact O-N 2.83Å | ||
| 85 | K | 54.9 | Low | 51.7 | Low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -50.2 | 120.6 | 174.1 | -80.9 | -179.7 | 175.4 | 178.2 | 0 | 106.6 | Q83 I87 | Q83-K85 PolarHBondContact O-N 2.94Å; K85-I87 PolarHBondContact O-N 2.95Å; K85-I87 VanDerWaalsContact O-N 3.17Å | ||
| 86 | T | 49.6 | Very low | 51.9 | Low | 135 Ų | 135 | 148 Ų | 148 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -47 | 123.1 | 173.2 | -42 | 0 | 0 | 0 | 0 | 108.1 | V84 A88 | V84-T86 PolarHBondContact O-N 2.83Å; T86-A88 PolarHBondContact O-N 2.82Å | ||
| 87 | I | 52.7 | Low | 51.9 | Low | 156 Ų | 156 | 149.8 Ų | 149.8 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -59 | 108 | 172.9 | -63.4 | 164.7 | 0 | 0 | 0 | 105.6 | K85 | K85-I87 PolarHBondContact O-N 2.95Å; K85-I87 VanDerWaalsContact O-N 3.17Å | ||
| 88 | A | 53.4 | Low | 52.1 | Low | 73 Ų | 73 | 153.3 Ų | 153.3 | 60% | 0.603 | 82% | 0.817 | S | S | * | * | trans | -55.5 | 138.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109 | T86 V90 | T86-A88 PolarHBondContact O-N 2.82Å; A88-V90 PolarHBondContact O-N 3.22Å; A88-V90 VanDerWaalsContact O-N 3.17Å | ||
| 89 | P | 46.7 | Very low | 52.7 | Low | 118 Ų | 118 | 157.1 Ų | 157.1 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | trans | -59.3 | 123 | 175.9 | 24.9 | -31.2 | 0 | 0 | 0 | 108.4 | E91 | P89-E91 PolarHBondContact O-N 3.43Š| ||
| 90 | V | 51.5 | Low | 52.9 | Low | 141 Ų | 141 | 152.7 Ų | 152.7 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -67.7 | 102.9 | 173.5 | 174.2 | 0 | 0 | 0 | 0 | 106.7 | A88 | A88-V90 PolarHBondContact O-N 3.22Å; A88-V90 VanDerWaalsContact O-N 3.17Å | ||
| 91 | E | 49 | Very low | 53.3 | Low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -58.7 | 140.1 | 168.6 | -68.8 | -161.5 | 162 | 0 | 0 | 110.4 | P89 D93 | P89-E91 PolarHBondContact O-N 3.43Å; E91-D93 VanDerWaalsContact C-N 3.29Å; E91-D93 PolarHBondContact O-N 3.16Å | ||
| 92 | A | 46 | Very low | 53.7 | Low | 109 Ų | 109 | 149.3 Ų | 149.3 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -78.2 | 75.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 93 | D | 45.9 | Very low | 54 | Low | 142 Ų | 142 | 149.5 Ų | 149.5 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -144.5 | 86.5 | 166 | -152.6 | -0.3 | 0 | 0 | 0 | 113.1 | E91 K95 | E91-D93 VanDerWaalsContact C-N 3.29Å; E91-D93 PolarHBondContact O-N 3.16Å; D93-K95 VanDerWaalsContact C-N 3.29Å; D93-K95 PolarHBondContact O-N 2.84Å | ||
| 94 | G | 48.3 | Very low | 54.9 | Low | 78 Ų | 78 | 150.6 Ų | 150.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | S | Bend | 64.2 | -17.7 | 126.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||
| 95 | K | 55.7 | Low | 56.1 | Low | 192 Ų | 192 | 154 Ų | 154 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -132.4 | 99.8 | -173.9 | -73.3 | -177.7 | -179.6 | 173.2 | 0 | 112.7 | D93 P97 | D93-K95 VanDerWaalsContact C-N 3.29Å; D93-K95 PolarHBondContact O-N 2.84Å; K95-P97 WeakPolarHBondContact O-CD 3.26Å | ||
| 96 | K | 62.1 | Low | 56.7 | Low | 210 Ų | 210 | 154.7 Ų | 154.7 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -62.6 | 121.7 | 171.9 | -69.6 | -178.3 | -179.1 | 175.7 | 0 | 110.4 | ||||
| 97 | P | 56.8 | Low | 57.3 | Low | 110 Ų | 110 | 150.5 Ų | 150.5 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 132.5 | 169.7 | 28.4 | -30.5 | 0 | 0 | 0 | 110.1 | K95 K99 | K95-P97 WeakPolarHBondContact O-CD 3.26Å; P97-K99 PolarHBondContact O-N 3.21Å; P97-K99 VanDerWaalsContact O-N 3.13Å | ||
| 98 | K | 56.6 | Low | 57.9 | Low | 216 Ų | 216 | 149 Ų | 149 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | -63.4 | 109 | 173.9 | -73.6 | 177.1 | 177.3 | 174.2 | 0 | 109.2 | ||||
| 99 | K | 64.9 | Low | 58.2 | Low | 197 Ų | 197 | 155.4 Ų | 155.4 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -74.8 | 131.3 | 172.6 | -67.7 | -174.2 | 179.3 | -177.6 | 0 | 109.9 | P97 | P97-K99 PolarHBondContact O-N 3.21Å; P97-K99 VanDerWaalsContact O-N 3.13Å | ||
| 100 | S | 62.9 | Low | 58.6 | Low | 110 Ų | 110 | 156.9 Ų | 156.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 148.1 | 171.3 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | A102 | S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 3.5Å | ||
| 101 | K | 61 | Low | 58.8 | Low | 212 Ų | 212 | 154.4 Ų | 154.4 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | trans | -65.2 | 86.2 | 175 | -74.4 | -177.8 | 179.2 | 177.4 | 0 | 109.3 | H103 | K101-H103 PolarHBondContact O-N 3.34Š| ||
| 102 | A | 61.9 | Low | 59.2 | Low | 81 Ų | 81 | 151.4 Ų | 151.4 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | -68.1 | 122.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S100 K104 | S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 3.5Å; A102-K104 PolarHBondContact O-N 3.31Å | ||
| 103 | H | 62.7 | Low | 60 | Low | 186 Ų | 186 | 148.8 Ų | 148.8 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | -53.5 | 111.9 | 167.3 | -88 | -93 | 0 | 0 | 0 | 108.3 | K101 K105 | K101-H103 PolarHBondContact O-N 3.34Å; H103-K105 PolarHBondContact O-N 3.28Å | ||
| 104 | K | 65.6 | Low | 61.1 | Low | 204 Ų | 204 | 144.3 Ų | 144.3 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | trans | -64.1 | 96.9 | 174.6 | -71.7 | -176.6 | 178.3 | -179 | 0 | 107.8 | A102 K106 | A102-K104 PolarHBondContact O-N 3.31Å; K104-K106 PolarHBondContact O-N 3Å | ||
| 105 | K | 70 | Confident | 62.2 | Low | 203 Ų | 203 | 146.1 Ų | 146.1 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 119.6 | 165.1 | -69.1 | -172.3 | 178.1 | -176.7 | 0 | 106.6 | H103 S107 | H103-K105 PolarHBondContact O-N 3.28Å; K105-S107 PolarHBondContact O-N 3.37Å |
| 106 | K | 67.4 | Low | 63 | Low | 201 Ų | 201 | 142.8 Ų | 142.8 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 125.7 | 172.3 | -62.5 | -178.1 | -178.1 | 178.4 | 0 | 106.7 | K104 I108 | K104-K106 PolarHBondContact O-N 3Å; K106-I108 PolarHBondContact O-N 3.47Å |
| 107 | S | 63.3 | Low | 63.5 | Low | 47 Ų | 47 | 138.8 Ų | 138.8 | 33% | 0.329 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 127 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | K105 W109 Q110 | K105-S107 PolarHBondContact O-N 3.37Å; S107-W109 PolarHBondContact O-N 3.4Å; S107-W109 PolarHBondContact OG-N 2.82Å; S107-Q110 VanDerWaalsContact CB-OE1 3.26Å; S107-Q110 WeakPolarHBondContact O-CB 3.18Å; S107-Q110 PolarHBondContact O-N 3.31Å |
| 108 | I | 63.9 | Low | 64.3 | Low | 124 Ų | 124 | 139 Ų | 139 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -61.5 | -27.8 | 176.8 | -39.1 | 172.1 | 0 | 0 | 0 | 109.6 | K106 Q110 S111 I112 | K106-I108 PolarHBondContact O-N 3.47Å; I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 2.63Å; I108-S111 WeakPolarHBondContact CA-OG 3.3Å; I108-S111 PolarHBondContact O-N 3.32Å; I108-S111 VanDerWaalsContact O-N 3.07Å; I108-S111 PolarHBondContact O-OG 2.91Å; I108-I112 HydrophobicContact CG2-CD1 4.34Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 3.2Å; I108-I112 VanDerWaalsContact O-N 3.1Å |
| 109 | W | 59.4 | Low | 65.3 | Low | 209 Ų | 209 | 133 Ų | 133 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.8 | -23.7 | 173.5 | -58.5 | 104 | 0 | 0 | 0 | 113.7 | S107 I112 | S107-W109 PolarHBondContact O-N 3.4Å; S107-W109 PolarHBondContact OG-N 2.82Å; W109-I112 HydrophobicContact CE3-CD1 4.33Å |
| 110 | Q | 56.1 | Low | 65.8 | Low | 149 Ų | 149 | 130.5 Ų | 130.5 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.8 | -26.4 | 169.6 | -115.9 | 108.1 | 17.9 | 0 | 0 | 112.1 | S107 I108 S113 | S107-Q110 VanDerWaalsContact CB-OE1 3.26Å; S107-Q110 WeakPolarHBondContact O-CB 3.18Å; S107-Q110 PolarHBondContact O-N 3.31Å; I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 2.63Å; Q110-S113 WeakPolarHBondContact O-CB 3.34Å |
| 111 | S | 56.1 | Low | 66.3 | Low | 88 Ų | 88 | 127.2 Ų | 127.2 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -84.3 | -23.3 | 176.9 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | I108 S113 | I108-S111 WeakPolarHBondContact CA-OG 3.3Å; I108-S111 PolarHBondContact O-N 3.32Å; I108-S111 VanDerWaalsContact O-N 3.07Å; I108-S111 PolarHBondContact O-OG 2.91Å; S111-S113 PolarHBondContact O-N 3.01Å; S111-S113 VanDerWaalsContact O-N 3.1Å |
| 112 | I | 57.6 | Low | 67.1 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 57% | 0.569 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -85.6 | 38.7 | 172.1 | -49.5 | 158.7 | 0 | 0 | 0 | 108.9 | I108 W109 D114 | I108-I112 HydrophobicContact CG2-CD1 4.34Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 3.2Å; I108-I112 VanDerWaalsContact O-N 3.1Å; W109-I112 HydrophobicContact CE3-CD1 4.33Å; I112-D114 PolarHBondContact O-N 2.78Å |
| 113 | S | 62.6 | Low | 67.9 | Low | 54 Ų | 54 | 128.9 Ų | 128.9 | 38% | 0.378 | 62% | 0.616 | S | S | . | * | trans | -71.5 | 102.4 | -177.5 | 65.9 | 0 | 0 | 0 | 0 | 109.5 | Q110 S111 | Q110-S113 WeakPolarHBondContact O-CB 3.34Å; S111-S113 PolarHBondContact O-N 3.01Å; S111-S113 VanDerWaalsContact O-N 3.1Å | ||
| 114 | D | 67.6 | Low | 68.4 | Low | 48 Ų | 48 | 124.3 Ų | 124.3 | 26% | 0.257 | 60% | 0.601 | S | S | . | * | trans | 57.1 | 99.7 | 162.2 | -178.8 | 27.1 | 0 | 0 | 0 | 115.6 | I112 F116 R117 R120 | I112-D114 PolarHBondContact O-N 2.78Å; D114-F116 PolarHBondContact O-N 3.02Å; D114-F116 PolarHBondContact OD1-N 2.88Å; D114-F116 VanDerWaalsContact OD1-N 3.11Å; D114-R117 HydrophobicContact CB-CB 4.07Å; D114-R117 VanDerWaalsContact O-CB 3.27Å; D114-R117 WeakPolarHBondContact O-CB 3.45Å; D114-R117 PolarHBondContact O-N 3.26Å; D114-R117 WeakPolarHBondContact OD2-CA 3.45Å; D114-R117 PolarHBondContact OD2-N 3.02Å; D114-R120 IonicContact OD1-CZ 3.04Å; D114-R120 IonicContact OD1-NH2 2.71Å; D114-R120 PolarHBondContact OD1-NH2 3.45Å; D114-R120 IonicContact OD2-CZ 3.67Å; D114-R120 IonicContact OD2-NE 3.68Å; D114-R120 PolarHBondContact OD2-NE 3.33Å; D114-R120 IonicContact OD2-NH2 3.86Å; D114-R120 PolarHBondContact OD2-NH2 3.19Å | ||
| 115 | P | 71.1 | Confident | 68.5 | Low | 117 Ų | 117 | 117.3 Ų | 117.3 | 76% | 0.76 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -18.4 | 177.9 | 26.3 | -33.8 | 0 | 0 | 0 | 112.8 | ||
| 116 | F | 73.7 | Confident | 68.1 | Low | 122 Ų | 122 | 113.4 Ų | 113.4 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.4 | 5.6 | 177.1 | -57 | -73.3 | 0 | 0 | 0 | 113.5 | D114 L118 L119 R120 | D114-F116 PolarHBondContact O-N 3.02Å; D114-F116 PolarHBondContact OD1-N 2.88Å; D114-F116 VanDerWaalsContact OD1-N 3.11Å; F116-L118 PolarHBondContact O-N 3.11Å; F116-L119 HydrophobicContact CB-CB 4.47Å; F116-L119 HydrophobicContact CD1-CD2 3.96Å; F116-L119 WeakPolarHBondContact O-CB 3.36Å; F116-L119 PolarHBondContact O-N 3.13Å; F116-R120 PolarHBondContact O-N 3.06Å |
| 117 | R | 72.8 | Confident | 67.5 | Low | 126 Ų | 126 | 114.6 Ų | 114.6 | 48% | 0.475 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -56.1 | -43 | -177.9 | -161.8 | -178.5 | 96 | 173.4 | 9.7 | 111.5 | D114 A121 D131 | D114-R117 HydrophobicContact CB-CB 4.07Å; D114-R117 VanDerWaalsContact O-CB 3.27Å; D114-R117 WeakPolarHBondContact O-CB 3.45Å; D114-R117 PolarHBondContact O-N 3.26Å; D114-R117 WeakPolarHBondContact OD2-CA 3.45Å; D114-R117 PolarHBondContact OD2-N 3.02Å; R117-A121 WeakPolarHBondContact O-CB 3.44Å; R117-A121 PolarHBondContact O-N 3.25Å; R117-D131 IonicContact NH2-OD1 2.93Å; R117-D131 IonicContact NH2-OD2 3.78Å |
| 118 | L | 72.4 | Confident | 67.3 | Low | 114 Ų | 114 | 117.4 Ų | 117.4 | 60% | 0.597 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.1 | -40.7 | 177.3 | -172.5 | 69.1 | 0 | 0 | 0 | 112 | F116 A121 R122 | F116-L118 PolarHBondContact O-N 3.11Å; L118-A121 PolarHBondContact O-N 3.05Å; L118-R122 WeakPolarHBondContact O-CG 3.44Å; L118-R122 PolarHBondContact O-N 3.17Å; L118-R122 VanDerWaalsContact O-N 3.08Å |
| 119 | L | 78.7 | Confident | 67.1 | Low | 90 Ų | 90 | 117.3 Ų | 117.3 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.3 | -44.7 | 177.3 | -175.2 | 65.4 | 0 | 0 | 0 | 111 | F116 A121 R122 L123 | F116-L119 HydrophobicContact CB-CB 4.47Å; F116-L119 HydrophobicContact CD1-CD2 3.96Å; F116-L119 WeakPolarHBondContact O-CB 3.36Å; F116-L119 PolarHBondContact O-N 3.13Å; L119-A121 PolarHBondContact O-N 3.21Å; L119-R122 PolarHBondContact O-N 3.06Å; L119-L123 HydrophobicContact CD1-CD1 4.2Å; L119-L123 HydrophobicContact CD1-CG 4.35Å; L119-L123 HydrophobicContact CD2-CD1 4.47Å; L119-L123 HydrophobicContact CG-CD1 3.89Å; L119-L123 HydrophobicContact CG-CG 4.41Å; L119-L123 WeakPolarHBondContact O-CB 3.48Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.99Å |
| 120 | R | 75 | Confident | 67.1 | Low | 145 Ų | 145 | 116.4 Ų | 116.4 | 55% | 0.547 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.3 | -43.9 | 175 | -78.3 | -168.5 | -103.5 | -152.4 | -14.3 | 112 | D114 F116 R122 L123 T124 | D114-R120 IonicContact OD1-CZ 3.04Å; D114-R120 IonicContact OD1-NH2 2.71Å; D114-R120 PolarHBondContact OD1-NH2 3.45Å; D114-R120 IonicContact OD2-CZ 3.67Å; D114-R120 IonicContact OD2-NE 3.68Å; D114-R120 PolarHBondContact OD2-NE 3.33Å; D114-R120 IonicContact OD2-NH2 3.86Å; D114-R120 PolarHBondContact OD2-NH2 3.19Å; F116-R120 PolarHBondContact O-N 3.06Å; R120-R122 VanDerWaalsContact C-N 3.31Å; R120-R122 PolarHBondContact O-N 2.88Å; R120-L123 PolarHBondContact O-N 3.4Å; R120-T124 WeakPolarHBondContact O-CB 3.3Å; R120-T124 WeakPolarHBondContact O-CG2 3.4Å; R120-T124 PolarHBondContact O-N 2.93Å; R120-T124 PolarHBondContact O-OG1 3.34Å |
| 121 | A | 74.3 | Confident | 66.8 | Low | 41 Ų | 41 | 114.6 Ų | 114.6 | 34% | 0.339 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.7 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R117 L118 L119 G125 | R117-A121 WeakPolarHBondContact O-CB 3.44Å; R117-A121 PolarHBondContact O-N 3.25Å; L118-A121 PolarHBondContact O-N 3.05Å; L119-A121 PolarHBondContact O-N 3.21Å; A121-G125 PolarHBondContact O-N 3.29Å |
| 122 | R | 76.6 | Confident | 66.3 | Low | 191 Ų | 191 | 115.8 Ų | 115.8 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -43.7 | 176 | -73.1 | -179.9 | 179.1 | 179.9 | -0 | 112.9 | L118 L119 R120 | L118-R122 WeakPolarHBondContact O-CG 3.44Å; L118-R122 PolarHBondContact O-N 3.17Å; L118-R122 VanDerWaalsContact O-N 3.08Å; L119-R122 PolarHBondContact O-N 3.06Å; R120-R122 VanDerWaalsContact C-N 3.31Å; R120-R122 PolarHBondContact O-N 2.88Å |
| 123 | L | 78.9 | Confident | 66 | Low | 137 Ų | 137 | 115.6 Ų | 115.6 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.1 | -35.9 | -177.6 | -70.3 | 174 | 0 | 0 | 0 | 113 | L119 R120 | L119-L123 HydrophobicContact CD1-CD1 4.2Å; L119-L123 HydrophobicContact CD1-CG 4.35Å; L119-L123 HydrophobicContact CD2-CD1 4.47Å; L119-L123 HydrophobicContact CG-CD1 3.89Å; L119-L123 HydrophobicContact CG-CG 4.41Å; L119-L123 WeakPolarHBondContact O-CB 3.48Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.99Å; R120-L123 PolarHBondContact O-N 3.4Å |
| 124 | T | 72.6 | Confident | 65.4 | Low | 89 Ų | 89 | 117.4 Ų | 117.4 | 55% | 0.546 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -89.9 | -8.4 | -174.9 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | R120 N126 | R120-T124 WeakPolarHBondContact O-CB 3.3Å; R120-T124 WeakPolarHBondContact O-CG2 3.4Å; R120-T124 PolarHBondContact O-N 2.93Å; R120-T124 PolarHBondContact O-OG1 3.34Å; T124-N126 PolarHBondContact O-N 3.43Å |
| 125 | G | 68.8 | Low | 64.1 | Low | 58 Ų | 58 | 120.5 Ų | 120.5 | 60% | 0.598 | 66% | 0.656 | S | S | * | * | trans | 64.3 | -3.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | A121 R127 | A121-G125 PolarHBondContact O-N 3.29Å; G125-R127 VanDerWaalsContact C-N 3.31Å; G125-R127 PolarHBondContact O-N 3.08Å | ||
| 126 | N | 60.6 | Low | 63.1 | Low | 121 Ų | 121 | 120.4 Ų | 120.4 | 65% | 0.647 | 66% | 0.658 | S | S | * | * | trans | -75.9 | 81 | 179.3 | -97.9 | 6.4 | 0 | 0 | 0 | 110.4 | T124 T128 | T124-N126 PolarHBondContact O-N 3.43Å; N126-T128 VanDerWaalsContact C-N 3.29Å; N126-T128 PolarHBondContact O-N 3.09Å | ||
| 127 | R | 56.2 | Low | 62 | Low | 225 Ų | 225 | 125 Ų | 125 | 85% | 0.849 | 67% | 0.673 | S | S | * | * | trans | -69 | 88.6 | 161.8 | -63.3 | 177 | 98.4 | 146.1 | 2.2 | 108 | G125 S129 | G125-R127 VanDerWaalsContact C-N 3.31Å; G125-R127 PolarHBondContact O-N 3.08Å; R127-S129 PolarHBondContact O-N 3.28Å | ||
| 128 | T | 57.5 | Low | 60.7 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | trans | -63.5 | 124 | 162.8 | 56.8 | 0 | 0 | 0 | 0 | 107.5 | N126 K130 | N126-T128 VanDerWaalsContact C-N 3.29Å; N126-T128 PolarHBondContact O-N 3.09Å; T128-K130 PolarHBondContact O-N 3.47Å | ||
| 129 | S | 59.4 | Low | 59.5 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 28.8 | -166.2 | 54.8 | 0 | 0 | 0 | 0 | 117.5 | R127 | R127-S129 PolarHBondContact O-N 3.28Š|
| 130 | K | 61.2 | Low | 58.4 | Low | 189 Ų | 189 | 130.8 Ų | 130.8 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 0.2 | -179.7 | -70.8 | -160.3 | 175.6 | -173.6 | 0 | 116 | T128 S132 | T128-K130 PolarHBondContact O-N 3.47Å; K130-S132 PolarHBondContact O-N 2.66Å |
| 131 | D | 48.9 | Very low | 57.8 | Low | 112 Ų | 112 | 131 Ų | 131 | 60% | 0.599 | 73% | 0.728 | S | S | * | * | trans | -95.7 | 86.1 | 168.6 | -76 | -21 | 0 | 0 | 0 | 108.6 | R117 | R117-D131 IonicContact NH2-OD1 2.93Å; R117-D131 IonicContact NH2-OD2 3.78Å | ||
| 132 | S | 45.4 | Very low | 56.7 | Low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -61 | 124.1 | 163.3 | -67.8 | 0 | 0 | 0 | 0 | 107.7 | K130 A134 | K130-S132 PolarHBondContact O-N 2.66Å; S132-A134 PolarHBondContact O-N 3.34Å | ||
| 133 | P | 51.8 | Low | 55.6 | Low | 106 Ų | 106 | 139.4 Ų | 139.4 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | trans | -62.1 | 130.9 | 171.1 | 27 | -30.3 | 0 | 0 | 0 | 107.3 | S135 | P133-S135 PolarHBondContact O-N 3.26Š| ||
| 134 | A | 49.4 | Very low | 54.4 | Low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -50.7 | 115.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | S132 S136 | S132-A134 PolarHBondContact O-N 3.34Å; A134-S136 VanDerWaalsContact C-N 3.31Å; A134-S136 PolarHBondContact O-N 2.83Å | ||
| 135 | S | 41.7 | Very low | 53.4 | Low | 113 Ų | 113 | 142.2 Ų | 142.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -68.5 | 95.4 | 171.8 | 62.9 | 0 | 0 | 0 | 0 | 107.1 | P133 Y137 | P133-S135 PolarHBondContact O-N 3.26Å; S135-Y137 PolarHBondContact O-N 2.59Å; S135-Y137 VanDerWaalsContact O-N 3.15Å | ||
| 136 | S | 48.6 | Very low | 52.6 | Low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -68 | 109 | 162.3 | -74.5 | 0 | 0 | 0 | 0 | 107.8 | A134 | A134-S136 VanDerWaalsContact C-N 3.31Å; A134-S136 PolarHBondContact O-N 2.83Å | ||
| 137 | Y | 52.2 | Low | 52.1 | Low | 218 Ų | 218 | 148.4 Ų | 148.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 4.7 | 131.3 | 155.7 | -90.5 | -103.4 | 0 | 0 | 0 | 119 | S135 | S135-Y137 PolarHBondContact O-N 2.59Å; S135-Y137 VanDerWaalsContact O-N 3.15Å | ||
| 138 | S | 45.3 | Very low | 51.8 | Low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -37 | 128.7 | 158 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 139 | D | 45.5 | Very low | 51.5 | Low | 149 Ų | 149 | 146.1 Ų | 146.1 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -174 | 105.4 | 143.1 | -111.1 | -11 | 0 | 0 | 0 | 105.9 | ||||
| 140 | Q | 57.4 | Low | 50.9 | Low | 203 Ų | 203 | 147.8 Ų | 147.8 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | trans | -161.5 | 112.2 | 144 | -77.6 | -139.6 | -47.4 | 0 | 0 | 108.8 | ||||
| 141 | D | 62.2 | Low | 50.1 | Low | 149 Ų | 149 | 144.6 Ų | 144.6 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -57 | 157.1 | 171.7 | -81.6 | -52.6 | 0 | 0 | 0 | 114.9 | ||||
| 142 | D | 51.5 | Low | 50.2 | Low | 145 Ų | 145 | 147.3 Ų | 147.3 | 78% | 0.775 | 83% | 0.828 | S | S | * | * | trans | 39 | 117.9 | 147.5 | -88.8 | -23.6 | 0 | 0 | 0 | 121.2 | ||||
| 143 | H | 51.7 | Low | 50.7 | Low | 264 Ų | 264 | 150.5 Ų | 150.5 | 100% | 1.222 | 83% | 0.831 | S | S | * | * | -159.5 | 0 | 128 | -99.7 | -56.2 | 0 | 0 | 0 | 112.2 |
Retrieved 143 of 143 residues in 30.1 ms
(Link to these results)