| 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 | 39.8 | Very low | 56.9 | Low | 237 Ų | 237 | 147.7 Ų | 147.7 | 100% | 1.167 | 74% | 0.74 | S | S | * | * | 0 | 135 | 0 | -72.4 | 175.2 | 172.6 | 0 | 0 | 106.3 | |||||
| 2 | E | 45.9 | Very low | 57 | Low | 200 Ų | 200 | 144.9 Ų | 144.9 | 94% | 0.935 | 73% | 0.728 | S | S | * | * | trans | 66 | 142.7 | -170.8 | -85 | 170.9 | 116.5 | 0 | 0 | 115.1 | ||||
| 3 | A | 57.9 | Low | 57.1 | Low | 83 Ų | 83 | 140.8 Ų | 140.8 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | cis | -152.9 | 135.2 | 10 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | S | 60.3 | Low | 57.1 | Low | 88 Ų | 88 | 137.3 Ų | 137.3 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | trans | -161.8 | 3.4 | 163.1 | -86.6 | 0 | 0 | 0 | 0 | 116.6 | S6 | S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.16Å | ||
| 5 | D | 59.5 | Low | 57.1 | Low | 106 Ų | 106 | 131.2 Ų | 131.2 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -23 | 179.1 | -70.8 | -72.2 | 0 | 0 | 0 | 113.8 | K7 R8 | D5-K7 PolarHBondContact O-N 3.1Å; D5-K7 VanDerWaalsContact O-N 3.15Å; D5-R8 PolarHBondContact O-N 3.28Å; D5-R8 IonicContact OD1-CZ 3.29Å; D5-R8 VanDerWaalsContact OD1-CZ 3.29Å; D5-R8 IonicContact OD1-NH1 3.4Å; D5-R8 PolarHBondContact OD1-NH1 3.47Å; D5-R8 IonicContact OD1-NH2 2.67Å; D5-R8 PolarHBondContact OD1-NH2 2.72Å |
| 6 | S | 60 | Low | 56.9 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.4 | -16.9 | -179.7 | -51.7 | 0 | 0 | 0 | 0 | 114.7 | S4 | S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.16Å |
| 7 | K | 61.3 | Low | 56.7 | Low | 165 Ų | 165 | 125.9 Ų | 125.9 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.2 | -30.2 | 177 | -81.9 | 178.5 | -179.4 | 171.3 | 0 | 113 | D5 | D5-K7 PolarHBondContact O-N 3.1Å; D5-K7 VanDerWaalsContact O-N 3.15Å |
| 8 | R | 59.1 | Low | 56.7 | Low | 173 Ų | 173 | 127 Ų | 127 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.4 | -35.9 | -177.8 | -79 | -170.7 | -105.9 | 122.9 | 3.7 | 112.1 | D5 R10 | D5-R8 PolarHBondContact O-N 3.28Å; D5-R8 IonicContact OD1-CZ 3.29Å; D5-R8 VanDerWaalsContact OD1-CZ 3.29Å; D5-R8 IonicContact OD1-NH1 3.4Å; D5-R8 PolarHBondContact OD1-NH1 3.47Å; D5-R8 IonicContact OD1-NH2 2.67Å; D5-R8 PolarHBondContact OD1-NH2 2.72Å; R8-R10 PolarHBondContact O-N 3Å |
| 9 | N | 60.5 | Low | 56.6 | Low | 115 Ų | 115 | 130.2 Ų | 130.2 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.7 | -28.8 | -178.8 | -85.3 | -0.1 | 0 | 0 | 0 | 114.1 | K11 L12 V13 | N9-K11 PolarHBondContact O-N 2.81Å; N9-L12 WeakPolarHBondContact O-CB 3.4Å; N9-L12 PolarHBondContact O-N 2.8Å; N9-V13 PolarHBondContact O-N 3.03Å |
| 10 | R | 62.5 | Low | 56.1 | Low | 178 Ų | 178 | 132.1 Ų | 132.1 | 67% | 0.672 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.3 | -41.3 | 178.9 | -169.4 | 173 | 67.7 | -171.8 | 2.9 | 112.4 | R8 L12 V13 D14 | R8-R10 PolarHBondContact O-N 3Å; R10-L12 PolarHBondContact O-N 2.9Å; R10-V13 PolarHBondContact O-N 3.33Å; R10-V13 VanDerWaalsContact O-N 3.09Å; R10-D14 PolarHBondContact O-N 3.26Å |
| 11 | K | 59 | Low | 55.8 | Low | 170 Ų | 170 | 130.1 Ų | 130.1 | 74% | 0.739 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -59.5 | -31.1 | 176.6 | -95 | -172.7 | 171.3 | -172.3 | 0 | 113.2 | N9 A15 | N9-K11 PolarHBondContact O-N 2.81Å; K11-A15 WeakPolarHBondContact O-CB 3.48Å; K11-A15 PolarHBondContact O-N 2.65Å; K11-A15 VanDerWaalsContact O-N 3.09Å |
| 12 | L | 58.6 | Low | 56.3 | Low | 114 Ų | 114 | 124.1 Ų | 124.1 | 60% | 0.597 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.6 | -31.7 | 179.6 | -120 | 155.3 | 0 | 0 | 0 | 111.8 | N9 R10 V16 | N9-L12 WeakPolarHBondContact O-CB 3.4Å; N9-L12 PolarHBondContact O-N 2.8Å; R10-L12 PolarHBondContact O-N 2.9Å; L12-V16 VanDerWaalsContact O-CG2 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.09Å |
| 13 | V | 58.4 | Low | 56.3 | Low | 91 Ų | 91 | 116.6 Ų | 116.6 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.8 | -42.1 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | N9 R10 A15 V16 D17 | N9-V13 PolarHBondContact O-N 3.03Å; R10-V13 PolarHBondContact O-N 3.33Å; R10-V13 VanDerWaalsContact O-N 3.09Å; V13-A15 VanDerWaalsContact C-N 3.27Å; V13-A15 PolarHBondContact O-N 3.01Å; V13-V16 WeakPolarHBondContact O-CA 3.27Å; V13-V16 WeakPolarHBondContact O-CB 3.45Å; V13-V16 PolarHBondContact O-N 3.36Å; V13-D17 PolarHBondContact O-N 2.75Å |
| 14 | D | 56.6 | Low | 55.8 | Low | 92 Ų | 92 | 118.8 Ų | 118.8 | 49% | 0.492 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.5 | -38.5 | 174.9 | -61.8 | -32.6 | 0 | 0 | 0 | 111.3 | R10 V16 D17 E18 | R10-D14 PolarHBondContact O-N 3.26Å; D14-V16 VanDerWaalsContact C-N 3.28Å; D14-V16 PolarHBondContact O-N 2.9Å; D14-D17 PolarHBondContact O-N 2.81Å; D14-E18 PolarHBondContact O-N 2.85Å |
| 15 | A | 57.4 | Low | 55.4 | Low | 46 Ų | 46 | 117.5 Ų | 117.5 | 38% | 0.38 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.8 | -18.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | K11 V13 | K11-A15 WeakPolarHBondContact O-CB 3.48Å; K11-A15 PolarHBondContact O-N 2.65Å; K11-A15 VanDerWaalsContact O-N 3.09Å; V13-A15 VanDerWaalsContact C-N 3.27Å; V13-A15 PolarHBondContact O-N 3.01Å |
| 16 | V | 54.1 | Low | 55.1 | Low | 67 Ų | 67 | 115.3 Ų | 115.3 | 41% | 0.406 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77.4 | -37 | 173.3 | 164.3 | 0 | 0 | 0 | 0 | 110.6 | L12 V13 D14 E18 R19 | L12-V16 VanDerWaalsContact O-CG2 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.09Å; V13-V16 WeakPolarHBondContact O-CA 3.27Å; V13-V16 WeakPolarHBondContact O-CB 3.45Å; V13-V16 PolarHBondContact O-N 3.36Å; D14-V16 VanDerWaalsContact C-N 3.28Å; D14-V16 PolarHBondContact O-N 2.9Å; V16-E18 VanDerWaalsContact C-N 3.27Å; V16-E18 PolarHBondContact O-N 3.49Å; V16-R19 PolarHBondContact O-N 3.31Å; V16-R19 VanDerWaalsContact O-N 3.14Å |
| 17 | D | 53 | Low | 54.7 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 57% | 0.567 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66 | -30 | 175.9 | -101.4 | -36.7 | 0 | 0 | 0 | 112.2 | V13 D14 R19 K20 | V13-D17 PolarHBondContact O-N 2.75Å; D14-D17 PolarHBondContact O-N 2.81Å; D17-R19 VanDerWaalsContact C-N 3.27Å; D17-R19 PolarHBondContact O-N 3.03Å; D17-K20 PolarHBondContact O-N 2.76Å; D17-K20 VanDerWaalsContact O-N 3.13Å |
| 18 | E | 56 | Low | 54.4 | Low | 145 Ų | 145 | 115.9 Ų | 115.9 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.4 | -28.4 | 173.3 | -68.8 | -164.3 | 122 | 0 | 0 | 113.2 | D14 V16 K20 S21 | D14-E18 PolarHBondContact O-N 2.85Å; V16-E18 VanDerWaalsContact C-N 3.27Å; V16-E18 PolarHBondContact O-N 3.49Å; E18-K20 PolarHBondContact O-N 2.83Å; E18-S21 PolarHBondContact O-N 3.1Å; E18-S21 PolarHBondContact O-OG 3.4Å |
| 19 | R | 54.9 | Low | 54.5 | Low | 188 Ų | 188 | 113 Ų | 113 | 71% | 0.709 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -11.5 | 175.7 | -72 | -170.3 | -71.3 | 157.9 | -4 | 113.6 | V16 D17 | V16-R19 PolarHBondContact O-N 3.31Å; V16-R19 VanDerWaalsContact O-N 3.14Å; D17-R19 VanDerWaalsContact C-N 3.27Å; D17-R19 PolarHBondContact O-N 3.03Å |
| 20 | K | 46.8 | Very low | 54.4 | Low | 168 Ų | 168 | 113.8 Ų | 113.8 | 73% | 0.73 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 0.7 | 168.4 | -78 | -170.2 | 174.3 | -178.7 | 0 | 113.6 | D17 E18 S22 | D17-K20 PolarHBondContact O-N 2.76Å; D17-K20 VanDerWaalsContact O-N 3.13Å; E18-K20 PolarHBondContact O-N 2.83Å; K20-S22 PolarHBondContact O-N 3.44Å; K20-S22 VanDerWaalsContact O-N 3.1Å |
| 21 | S | 50.7 | Low | 54.3 | Low | 91 Ų | 91 | 109.5 Ų | 109.5 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | trans | -81.3 | 55 | 153.7 | 72.6 | 0 | 0 | 0 | 0 | 110.3 | E18 G23 | E18-S21 PolarHBondContact O-N 3.1Å; E18-S21 PolarHBondContact O-OG 3.4Å; S21-G23 PolarHBondContact O-N 3.22Å | ||
| 22 | S | 50.1 | Low | 54.2 | Low | 110 Ų | 110 | 102.1 Ų | 102.1 | 77% | 0.769 | 58% | 0.575 | S | S | * | * | trans | -70.6 | 73.1 | 165.5 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | K20 | K20-S22 PolarHBondContact O-N 3.44Å; K20-S22 VanDerWaalsContact O-N 3.1Å | ||
| 23 | G | 45.7 | Very low | 54.4 | Low | 43 Ų | 43 | 106.6 Ų | 106.6 | 44% | 0.443 | 58% | 0.584 | S | S | . | * | trans | -133 | 48.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | S21 G25 | S21-G23 PolarHBondContact O-N 3.22Å; G23-G25 PolarHBondContact O-N 3.47Å | ||
| 24 | S | 48.2 | Very low | 54.5 | Low | 129 Ų | 129 | 106.2 Ų | 106.2 | 90% | 0.902 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.5 | 116.8 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 25 | G | 51.6 | Low | 55 | Low | 61 Ų | 61 | 104.2 Ų | 104.2 | 63% | 0.629 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.1 | -7.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | G23 | G23-G25 PolarHBondContact O-N 3.47Š|
| 26 | S | 52.1 | Low | 55.1 | Low | 59 Ų | 59 | 111.1 Ų | 111.1 | 41% | 0.413 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -89.9 | -27.5 | -173.3 | 66.8 | 0 | 0 | 0 | 0 | 115.5 | F28 N30 | S26-F28 VanDerWaalsContact C-N 3.35Å; S26-F28 PolarHBondContact O-N 2.81Å; S26-N30 VanDerWaalsContact O-CG 3.27Å; S26-N30 PolarHBondContact O-N 3.29Å; S26-N30 PolarHBondContact O-ND2 3.36Å |
| 27 | Y | 52.3 | Low | 55.4 | Low | 176 Ų | 176 | 110.2 Ų | 110.2 | 69% | 0.69 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.3 | -35.4 | -172.4 | -61.2 | -77.1 | 0 | 0 | 0 | 114 | N30 S31 | Y27-N30 PolarHBondContact O-N 3.3Å; Y27-S31 PolarHBondContact O-N 3.35Å; Y27-S31 PolarHBondContact O-OG 3Å |
| 28 | F | 55.8 | Low | 55.9 | Low | 111 Ų | 111 | 109.3 Ų | 109.3 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.8 | -52.8 | -174.9 | -152.5 | -105.3 | 0 | 0 | 0 | 110.1 | S26 N30 S31 V32 E50 | S26-F28 VanDerWaalsContact C-N 3.35Å; S26-F28 PolarHBondContact O-N 2.81Å; F28-N30 VanDerWaalsContact C-N 3.32Å; F28-N30 PolarHBondContact O-N 3.31Å; F28-S31 PolarHBondContact O-N 3.35Å; F28-S31 PolarHBondContact O-OG 3.26Å; F28-V32 WeakPolarHBondContact O-CG2 3.22Å; F28-E50 WeakPolarHBondContact CD1-OE1 3.4Å; F28-E50 HydrophobicContact CE1-CG 3.99Å; F28-E50 WeakPolarHBondContact CE1-OE1 3.35Å; F28-E50 WeakPolarHBondContact CE1-OE2 3.02Å; F28-E50 WeakPolarHBondContact CZ-OE2 3.13Å |
| 29 | L | 59.7 | Low | 56.5 | Low | 114 Ų | 114 | 106.9 Ų | 106.9 | 60% | 0.597 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.4 | -28.9 | -180 | -59.2 | 176.9 | 0 | 0 | 0 | 113.5 | S31 V32 | L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S31 PolarHBondContact O-N 3.36Å; L29-V32 PolarHBondContact O-N 2.8Å |
| 30 | N | 58.5 | Low | 57.4 | Low | 131 Ų | 131 | 104.8 Ų | 104.8 | 70% | 0.701 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.5 | -28.7 | 178.9 | -73.3 | -32.1 | 0 | 0 | 0 | 113.2 | S26 Y27 F28 V32 | S26-N30 VanDerWaalsContact O-CG 3.27Å; S26-N30 PolarHBondContact O-N 3.29Å; S26-N30 PolarHBondContact O-ND2 3.36Å; Y27-N30 PolarHBondContact O-N 3.3Å; F28-N30 VanDerWaalsContact C-N 3.32Å; F28-N30 PolarHBondContact O-N 3.31Å; N30-V32 PolarHBondContact O-N 3.29Å |
| 31 | S | 60.5 | Low | 59 | Low | 88 Ų | 88 | 103.2 Ų | 103.2 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -9.5 | 175 | 43.8 | 0 | 0 | 0 | 0 | 113.7 | Y27 F28 L29 R33 | Y27-S31 PolarHBondContact O-N 3.35Å; Y27-S31 PolarHBondContact O-OG 3Å; F28-S31 PolarHBondContact O-N 3.35Å; F28-S31 PolarHBondContact O-OG 3.26Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S31 PolarHBondContact O-N 3.36Å; S31-R33 PolarHBondContact O-N 2.77Å |
| 32 | V | 56.9 | Low | 60.2 | Low | 15 Ų | 15 | 102.3 Ų | 102.3 | 9% | 0.091 | 56% | 0.563 | C | S | . | * | trans | -98.2 | 98.6 | -163.3 | -173 | 0 | 0 | 0 | 0 | 108.5 | F28 L29 N30 F48 E50 | F28-V32 WeakPolarHBondContact O-CG2 3.22Å; L29-V32 PolarHBondContact O-N 2.8Å; N30-V32 PolarHBondContact O-N 3.29Å; V32-F48 HydrophobicContact CG1-CB 3.51Å; V32-F48 HydrophobicContact CG1-CD1 3.87Å; V32-F48 HydrophobicContact CG1-CG 4.1Å; V32-E50 HydrophobicContact CG2-CG 4.48Å; V32-E50 WeakPolarHBondContact CG2-OE1 3.2Å | ||
| 33 | R | 62.5 | Low | 61.7 | Low | 208 Ų | 208 | 101.5 Ų | 101.5 | 79% | 0.785 | 56% | 0.555 | S | S | * | * | trans | -67.2 | 132.5 | 171 | -74.5 | -172.4 | -86.1 | -110.9 | 1.1 | 108.1 | S31 V35 | S31-R33 PolarHBondContact O-N 2.77Å; R33-V35 PolarHBondContact O-N 3.07Å; R33-V35 VanDerWaalsContact O-N 3.09Å | ||
| 34 | P | 61.6 | Low | 63.4 | Low | 83 Ų | 83 | 102 Ų | 102 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | B | Isolated β-bridge | trans | -57.6 | 122.5 | 166.9 | 25.1 | -31.3 | 0 | 0 | 0 | 106.8 | Q36 F48 | P34-Q36 PolarHBondContact O-N 3.33Å; P34-F48 HydrophobicContact CB-CD1 4.21Å; P34-F48 HydrophobicContact CB-CE1 4.01Å |
| 35 | V | 66.7 | Low | 65 | Low | 50 Ų | 50 | 100.7 Ų | 100.7 | 30% | 0.303 | 54% | 0.538 | S | S | . | . | trans | -82.4 | 112 | 165.6 | 173.5 | 0 | 0 | 0 | 0 | 103.8 | R33 I37 V47 Q49 | R33-V35 PolarHBondContact O-N 3.07Å; R33-V35 VanDerWaalsContact O-N 3.09Å; V35-I37 HydrophobicContact CB-CG1 4.36Å; V35-I37 HydrophobicContact CG1-CG1 3.8Å; V35-I37 PolarHBondContact O-N 3.14Å; V35-V47 PolarHBondContact N-O 3.1Å; V35-Q49 HydrophobicContact CB-CB 4.13Å; V35-Q49 HydrophobicContact CG2-CB 3.24Å; V35-Q49 HydrophobicContact CG2-CG 4.27Å | ||
| 36 | Q | 59.3 | Low | 66.4 | Low | 191 Ų | 191 | 104.3 Ų | 104.3 | 89% | 0.893 | 53% | 0.534 | S | S | * | . | trans | -62.1 | 89.4 | 170.8 | -174.4 | 177.7 | -16.3 | 0 | 0 | 107.1 | P34 | P34-Q36 PolarHBondContact O-N 3.33Š| ||
| 37 | I | 60.3 | Low | 67.6 | Low | 47 Ų | 47 | 101.9 Ų | 101.9 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | trans | -80.8 | 151.4 | 169.9 | -61.2 | -170.4 | 0 | 0 | 0 | 107.4 | V35 P39 K41 Y42 V47 | V35-I37 HydrophobicContact CB-CG1 4.36Å; V35-I37 HydrophobicContact CG1-CG1 3.8Å; V35-I37 PolarHBondContact O-N 3.14Å; I37-P39 VanDerWaalsContact O-N 3.14Å; I37-K41 HydrophobicContact CG2-CD 4.43Å; I37-Y42 HydrophobicContact CB-CD2 4.4Å; I37-Y42 HydrophobicContact CD1-CE2 4.41Å; I37-Y42 HydrophobicContact CG2-CD2 3.71Å; I37-Y42 HydrophobicContact CG2-CE2 3.94Å; I37-V47 HydrophobicContact CB-CB 4.31Å; I37-V47 HydrophobicContact CB-CG2 4.3Å; I37-V47 HydrophobicContact CD1-CB 3.69Å; I37-V47 HydrophobicContact CD1-CG1 3.36Å; I37-V47 HydrophobicContact CD1-CG2 4.12Å; I37-V47 HydrophobicContact CG1-CB 3.98Å; I37-V47 HydrophobicContact CG1-CG1 4.16Å; I37-V47 HydrophobicContact CG1-CG2 4.44Å | ||
| 38 | D | 64.7 | Low | 68.8 | Low | 88 Ų | 88 | 95.7 Ų | 95.7 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | trans | -36 | 112.6 | 170.8 | -165.5 | -15.8 | 0 | 0 | 0 | 112.1 | D40 K41 Y42 | D38-D40 PolarHBondContact O-N 3.42Å; D38-D40 VanDerWaalsContact O-N 3.16Å; D38-D40 WeakPolarHBondContact OD1-CB 3.21Å; D38-D40 PolarHBondContact OD1-N 3.13Å; D38-D40 VanDerWaalsContact OD1-N 3.1Å; D38-K41 HydrophobicContact CB-CB 4.14Å; D38-K41 PolarHBondContact O-N 3.42Å; D38-Y42 PolarHBondContact O-N 3.33Å | ||
| 39 | P | 67.8 | Low | 69.7 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.8 | 179.8 | 25.5 | -34 | 0 | 0 | 0 | 112.5 | I37 K41 P43 | I37-P39 VanDerWaalsContact O-N 3.14Å; P39-K41 VanDerWaalsContact C-N 3.31Å; P39-P43 WeakPolarHBondContact O-CA 3.45Å |
| 40 | D | 74.6 | Confident | 70 | Confident | 145 Ų | 145 | 91.5 Ų | 91.5 | 78% | 0.775 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -27.9 | 176.4 | -64 | -31.6 | 0 | 0 | 0 | 111.9 | D38 | D38-D40 PolarHBondContact O-N 3.42Å; D38-D40 VanDerWaalsContact O-N 3.16Å; D38-D40 WeakPolarHBondContact OD1-CB 3.21Å; D38-D40 PolarHBondContact OD1-N 3.13Å; D38-D40 VanDerWaalsContact OD1-N 3.1Å |
| 41 | K | 79.5 | Confident | 70.1 | Confident | 135 Ų | 135 | 89.8 Ų | 89.8 | 59% | 0.587 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -33.2 | -178.1 | -168.1 | 176.3 | 178.8 | -179.2 | 0 | 112.9 | I37 D38 P39 | I37-K41 HydrophobicContact CG2-CD 4.43Å; D38-K41 HydrophobicContact CB-CB 4.14Å; D38-K41 PolarHBondContact O-N 3.42Å; P39-K41 VanDerWaalsContact C-N 3.31Å |
| 42 | Y | 75.9 | Confident | 70.6 | Confident | 71 Ų | 71 | 92 Ų | 92 | 28% | 0.278 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -137.2 | 66.4 | -177.4 | -61.2 | -72.2 | 0 | 0 | 0 | 111.7 | I37 D38 G44 F45 V47 I57 | I37-Y42 HydrophobicContact CB-CD2 4.4Å; I37-Y42 HydrophobicContact CD1-CE2 4.41Å; I37-Y42 HydrophobicContact CG2-CD2 3.71Å; I37-Y42 HydrophobicContact CG2-CE2 3.94Å; D38-Y42 PolarHBondContact O-N 3.33Å; Y42-G44 PolarHBondContact O-N 3.19Å; Y42-F45 PolarHBondContact O-N 2.98Å; Y42-V47 HydrophobicContact CD2-CG2 3.77Å; Y42-V47 HydrophobicContact CE2-CG2 4.41Å; Y42-V47 HydrophobicContact CG-CG2 3.97Å; Y42-I57 HydrophobicContact CD1-CD1 3.96Å; Y42-I57 HydrophobicContact CE1-CD1 3.54Å |
| 43 | P | 80.8 | Confident | 71.4 | Confident | 94 Ų | 94 | 99.7 Ų | 99.7 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 126.3 | -178.1 | 26.2 | -34.6 | 0 | 0 | 0 | 110.8 | P39 F45 | P39-P43 WeakPolarHBondContact O-CA 3.45Å; P43-F45 VanDerWaalsContact O-CD2 3.27Å; P43-F45 WeakPolarHBondContact O-CD2 3.22Å |
| 44 | G | 81.2 | Confident | 72.2 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 55% | 0.546 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 17.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y42 A60 | Y42-G44 PolarHBondContact O-N 3.19Å; G44-A60 VanDerWaalsContact O-CB 3.22Å; G44-A60 WeakPolarHBondContact O-CB 3.35Å; G44-A60 PolarHBondContact O-N 3.34Å |
| 45 | F | 83.2 | Confident | 73.1 | Confident | 102 Ų | 102 | 91.7 Ų | 91.7 | 45% | 0.447 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.5 | 173.4 | -66 | -94.5 | 0 | 0 | 0 | 111.5 | Y42 P43 I57 L58 P59 | Y42-F45 PolarHBondContact O-N 2.98Å; P43-F45 VanDerWaalsContact O-CD2 3.27Å; P43-F45 WeakPolarHBondContact O-CD2 3.22Å; F45-I57 HydrophobicContact CB-CG2 3.55Å; F45-I57 HydrophobicContact CD1-CG2 3.57Å; F45-I57 HydrophobicContact CE1-CG2 4.49Å; F45-I57 HydrophobicContact CG-CG2 3.71Å; F45-L58 CarbonylContact C-O 3.48Å; F45-L58 WeakPolarHBondContact CA-O 3.25Å; F45-L58 WeakPolarHBondContact CB-O 3.49Å; F45-L58 WeakPolarHBondContact CD1-O 3.46Å; F45-P59 VanDerWaalsContact CD1-CA 3.48Å; F45-P59 HydrophobicContact CD1-CB 4.23Å; F45-P59 HydrophobicContact CE1-CB 4.04Å |
| 46 | Y | 80.9 | Confident | 73.8 | Confident | 136 Ų | 136 | 92.2 Ų | 92.2 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128.4 | 164.5 | -67.9 | -66.1 | 0 | 0 | 0 | 109.1 | F48 I57 L58 A60 | Y46-F48 HydrophobicContact CG-CE2 4.4Å; Y46-F48 HydrophobicContact CG-CZ 4.48Å; Y46-I57 WeakPolarHBondContact O-CA 3.37Å; Y46-L58 PolarHBondContact N-O 3.18Å; Y46-L58 PolarHBondContact O-N 3.09Å; Y46-A60 HydrophobicContact CD2-CB 3.98Å; Y46-A60 HydrophobicContact CE2-CB 3.7Å |
| 47 | V | 76.5 | Confident | 74.9 | Confident | 9 Ų | 9 | 86.5 Ų | 86.5 | 6% | 0.055 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.8 | 173.7 | -166.6 | 0 | 0 | 0 | 0 | 110 | V35 I37 Y42 N55 I56 I57 | V35-V47 PolarHBondContact N-O 3.1Å; I37-V47 HydrophobicContact CB-CB 4.31Å; I37-V47 HydrophobicContact CB-CG2 4.3Å; I37-V47 HydrophobicContact CD1-CB 3.69Å; I37-V47 HydrophobicContact CD1-CG1 3.36Å; I37-V47 HydrophobicContact CD1-CG2 4.12Å; I37-V47 HydrophobicContact CG1-CB 3.98Å; I37-V47 HydrophobicContact CG1-CG1 4.16Å; I37-V47 HydrophobicContact CG1-CG2 4.44Å; Y42-V47 HydrophobicContact CD2-CG2 3.77Å; Y42-V47 HydrophobicContact CE2-CG2 4.41Å; Y42-V47 HydrophobicContact CG-CG2 3.97Å; V47-N55 HydrophobicContact CG1-CB 3.72Å; V47-I56 WeakPolarHBondContact CA-O 3.23Å; V47-I57 HydrophobicContact CG1-CG1 4.17Å; V47-I57 HydrophobicContact CG2-CG1 4.23Å; V47-I57 HydrophobicContact CG2-CG2 4.49Å |
| 48 | F | 78.7 | Confident | 75.9 | Confident | 46 Ų | 46 | 87.9 Ų | 87.9 | 20% | 0.202 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.2 | -176.7 | -70.1 | -80.2 | 0 | 0 | 0 | 107.1 | V32 P34 Y46 E50 N55 I56 L58 | V32-F48 HydrophobicContact CG1-CB 3.51Å; V32-F48 HydrophobicContact CG1-CD1 3.87Å; V32-F48 HydrophobicContact CG1-CG 4.1Å; P34-F48 HydrophobicContact CB-CD1 4.21Å; P34-F48 HydrophobicContact CB-CE1 4.01Å; Y46-F48 HydrophobicContact CG-CE2 4.4Å; Y46-F48 HydrophobicContact CG-CZ 4.48Å; F48-E50 PolarHBondContact O-N 3.39Å; F48-N55 CarbonylContact O-C 3.57Å; F48-N55 VanDerWaalsContact O-CA 3.25Å; F48-N55 WeakPolarHBondContact O-CA 3.48Å; F48-I56 HydrophobicContact CB-CB 4.2Å; F48-I56 PolarHBondContact N-O 3.07Å; F48-I56 PolarHBondContact O-N 3.09Å; F48-L58 HydrophobicContact CD2-CD1 4.04Å; F48-L58 HydrophobicContact CD2-CG 4.05Å; F48-L58 HydrophobicContact CE2-CB 4.13Å; F48-L58 HydrophobicContact CE2-CD1 3.61Å; F48-L58 HydrophobicContact CE2-CG 3.92Å; F48-L58 HydrophobicContact CZ-CD1 4.43Å |
| 49 | Q | 73.3 | Confident | 76.6 | Confident | 119 Ų | 119 | 87.6 Ų | 87.6 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 113.3 | 175.5 | -179.9 | -180 | 22.3 | 0 | 0 | 108.9 | V35 N55 | V35-Q49 HydrophobicContact CB-CB 4.13Å; V35-Q49 HydrophobicContact CG2-CB 3.24Å; V35-Q49 HydrophobicContact CG2-CG 4.27Å; Q49-N55 WeakPolarHBondContact CA-OD1 3.27Å |
| 50 | E | 66 | Low | 77.1 | Confident | 18 Ų | 18 | 84.6 Ų | 84.6 | 8% | 0.084 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 149 | 165.3 | -70.4 | -74.2 | -176.7 | 0 | 0 | 110.4 | F28 V32 F48 G54 I56 | F28-E50 WeakPolarHBondContact CD1-OE1 3.4Å; F28-E50 HydrophobicContact CE1-CG 3.99Å; F28-E50 WeakPolarHBondContact CE1-OE1 3.35Å; F28-E50 WeakPolarHBondContact CE1-OE2 3.02Å; F28-E50 WeakPolarHBondContact CZ-OE2 3.13Å; V32-E50 HydrophobicContact CG2-CG 4.48Å; V32-E50 WeakPolarHBondContact CG2-OE1 3.2Å; F48-E50 PolarHBondContact O-N 3.39Å; E50-G54 CarbonylContact C-O 3.47Å; E50-G54 WeakPolarHBondContact CA-O 2.86Å; E50-G54 VanDerWaalsContact CB-O 3.23Å; E50-G54 WeakPolarHBondContact CB-O 2.97Å; E50-G54 PolarHBondContact N-O 3.17Å; E50-G54 VanDerWaalsContact O-O 3.09Å; E50-I56 HydrophobicContact CG-CD1 3.54Å; E50-I56 HydrophobicContact CG-CG1 3.84Å |
| 51 | S | 62.2 | Low | 77.1 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 66% | 0.664 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 151.4 | 167.9 | -167.6 | 0 | 0 | 0 | 0 | 109.9 | F53 | S51-F53 PolarHBondContact O-N 3.21Š|
| 52 | V | 69.9 | Low | 76.5 | Confident | 134 Ų | 134 | 82.9 Ų | 82.9 | 81% | 0.812 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -41 | 179.7 | -165.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 53 | F | 74.1 | Confident | 75.8 | Confident | 176 Ų | 176 | 90.6 Ų | 90.6 | 77% | 0.772 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -6.8 | -173 | -61.4 | -70.8 | 0 | 0 | 0 | 114.9 | S51 | S51-F53 PolarHBondContact O-N 3.21Š|
| 54 | G | 79.4 | Confident | 74.8 | Confident | 36 Ų | 36 | 92.6 Ų | 92.6 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.4 | -155.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E50 | E50-G54 CarbonylContact C-O 3.47Å; E50-G54 WeakPolarHBondContact CA-O 2.86Å; E50-G54 VanDerWaalsContact CB-O 3.23Å; E50-G54 WeakPolarHBondContact CB-O 2.97Å; E50-G54 PolarHBondContact N-O 3.17Å; E50-G54 VanDerWaalsContact O-O 3.09Å |
| 55 | N | 80.9 | Confident | 73.8 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137.4 | -175.9 | -60.3 | -31.7 | 0 | 0 | 0 | 111.4 | V47 F48 Q49 | V47-N55 HydrophobicContact CG1-CB 3.72Å; F48-N55 CarbonylContact O-C 3.57Å; F48-N55 VanDerWaalsContact O-CA 3.25Å; F48-N55 WeakPolarHBondContact O-CA 3.48Å; Q49-N55 WeakPolarHBondContact CA-OD1 3.27Å |
| 56 | I | 81.1 | Confident | 72.7 | Confident | 61 Ų | 61 | 98.7 Ų | 98.7 | 31% | 0.313 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.6 | 168.4 | -60.8 | 176.5 | 0 | 0 | 0 | 108.2 | V47 F48 E50 L58 | V47-I56 WeakPolarHBondContact CA-O 3.23Å; F48-I56 HydrophobicContact CB-CB 4.2Å; F48-I56 PolarHBondContact N-O 3.07Å; F48-I56 PolarHBondContact O-N 3.09Å; E50-I56 HydrophobicContact CG-CD1 3.54Å; E50-I56 HydrophobicContact CG-CG1 3.84Å; I56-L58 HydrophobicContact CG2-CD2 3.73Å; I56-L58 HydrophobicContact CG2-CG 3.96Å |
| 57 | I | 81.3 | Confident | 71.2 | Confident | 71 Ų | 71 | 100 Ų | 100 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.7 | 176.3 | -55.8 | 175.5 | 0 | 0 | 0 | 107.3 | Y42 F45 Y46 V47 | Y42-I57 HydrophobicContact CD1-CD1 3.96Å; Y42-I57 HydrophobicContact CE1-CD1 3.54Å; F45-I57 HydrophobicContact CB-CG2 3.55Å; F45-I57 HydrophobicContact CD1-CG2 3.57Å; F45-I57 HydrophobicContact CE1-CG2 4.49Å; F45-I57 HydrophobicContact CG-CG2 3.71Å; Y46-I57 WeakPolarHBondContact O-CA 3.37Å; V47-I57 HydrophobicContact CG1-CG1 4.17Å; V47-I57 HydrophobicContact CG2-CG1 4.23Å; V47-I57 HydrophobicContact CG2-CG2 4.49Å |
| 58 | L | 81.2 | Confident | 69.9 | Low | 75 Ų | 75 | 112.6 Ų | 112.6 | 39% | 0.393 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.5 | 176.9 | -61.3 | -174.7 | 0 | 0 | 0 | 110.2 | F45 Y46 F48 I56 A60 | F45-L58 CarbonylContact C-O 3.48Å; F45-L58 WeakPolarHBondContact CA-O 3.25Å; F45-L58 WeakPolarHBondContact CB-O 3.49Å; F45-L58 WeakPolarHBondContact CD1-O 3.46Å; Y46-L58 PolarHBondContact N-O 3.18Å; Y46-L58 PolarHBondContact O-N 3.09Å; F48-L58 HydrophobicContact CD2-CD1 4.04Å; F48-L58 HydrophobicContact CD2-CG 4.05Å; F48-L58 HydrophobicContact CE2-CB 4.13Å; F48-L58 HydrophobicContact CE2-CD1 3.61Å; F48-L58 HydrophobicContact CE2-CG 3.92Å; F48-L58 HydrophobicContact CZ-CD1 4.43Å; I56-L58 HydrophobicContact CG2-CD2 3.73Å; I56-L58 HydrophobicContact CG2-CG 3.96Å; L58-A60 PolarHBondContact O-N 3.43Å |
| 59 | P | 79.9 | Confident | 69.4 | Low | 82 Ų | 82 | 116 Ų | 116 | 53% | 0.532 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.4 | 132.1 | 171.7 | 26.3 | -32.7 | 0 | 0 | 0 | 109.3 | F45 I61 | F45-P59 VanDerWaalsContact CD1-CA 3.48Å; F45-P59 HydrophobicContact CD1-CB 4.23Å; F45-P59 HydrophobicContact CE1-CB 4.04Å; P59-I61 PolarHBondContact O-N 3.35Å |
| 60 | A | 78.2 | Confident | 69.2 | Low | 31 Ų | 31 | 115.8 Ų | 115.8 | 26% | 0.256 | 61% | 0.608 | S | S | . | * | trans | -70.5 | 91.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106 | G44 Y46 L58 P62 | G44-A60 VanDerWaalsContact O-CB 3.22Å; G44-A60 WeakPolarHBondContact O-CB 3.35Å; G44-A60 PolarHBondContact O-N 3.34Å; Y46-A60 HydrophobicContact CD2-CB 3.98Å; Y46-A60 HydrophobicContact CE2-CB 3.7Å; L58-A60 PolarHBondContact O-N 3.43Å; A60-P62 WeakPolarHBondContact O-CD 3.5Å | ||
| 61 | I | 74.3 | Confident | 69.4 | Low | 141 Ų | 141 | 121.2 Ų | 121.2 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | trans | -58.7 | 116.5 | 169 | -60.3 | 173.8 | 0 | 0 | 0 | 104.5 | P59 R63 | P59-I61 PolarHBondContact O-N 3.35Å; I61-R63 PolarHBondContact O-N 3.26Å | ||
| 62 | P | 67 | Low | 69.8 | Low | 102 Ų | 102 | 122.8 Ų | 122.8 | 66% | 0.662 | 64% | 0.636 | S | S | * | * | trans | -54.1 | 124.5 | 171.2 | 22.2 | -29.7 | 0 | 0 | 0 | 104.9 | A60 N64 | A60-P62 WeakPolarHBondContact O-CD 3.5Å; P62-N64 PolarHBondContact O-N 3.47Å | ||
| 63 | R | 62.4 | Low | 69.8 | Low | 234 Ų | 234 | 122.1 Ų | 122.1 | 88% | 0.883 | 63% | 0.625 | S | S | * | * | trans | -55.2 | 96.9 | 169.6 | -102.5 | -177.6 | 156.9 | 166.1 | -4.8 | 104.9 | I61 E65 | I61-R63 PolarHBondContact O-N 3.26Å; R63-E65 PolarHBondContact O-N 2.67Å | ||
| 64 | N | 59.8 | Low | 69.6 | Low | 135 Ų | 135 | 118.5 Ų | 118.5 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | trans | -60.7 | 107 | 161.4 | -115.6 | 6 | 0 | 0 | 0 | 101.5 | P62 T66 | P62-N64 PolarHBondContact O-N 3.47Å; N64-T66 WeakPolarHBondContact CB-OG1 3.48Å; N64-T66 PolarHBondContact ND2-OG1 3.34Å; N64-T66 PolarHBondContact O-N 3.4Å | ||
| 65 | E | 59.2 | Low | 68.9 | Low | 183 Ų | 183 | 124.4 Ų | 124.4 | 86% | 0.855 | 63% | 0.633 | S | S | * | * | trans | -67.1 | 34.6 | 168.2 | -62.2 | -165.1 | 147.6 | 0 | 0 | 110.1 | R63 N67 | R63-E65 PolarHBondContact O-N 2.67Å; E65-N67 PolarHBondContact O-N 3.15Å; E65-N67 VanDerWaalsContact O-N 3.1Å | ||
| 66 | T | 60 | Low | 67.9 | Low | 100 Ų | 100 | 127.2 Ų | 127.2 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | trans | -89.4 | 65.4 | 178.8 | -37.1 | 0 | 0 | 0 | 0 | 108.1 | N64 | N64-T66 WeakPolarHBondContact CB-OG1 3.48Å; N64-T66 PolarHBondContact ND2-OG1 3.34Å; N64-T66 PolarHBondContact O-N 3.4Å | ||
| 67 | N | 49.6 | Very low | 66.8 | Low | 163 Ų | 163 | 132.7 Ų | 132.7 | 87% | 0.872 | 67% | 0.673 | S | S | * | * | trans | -160.3 | 71.6 | 146.6 | -112.9 | -47.9 | 0 | 0 | 0 | 108.6 | E65 | E65-N67 PolarHBondContact O-N 3.15Å; E65-N67 VanDerWaalsContact O-N 3.1Å | ||
| 68 | K | 49.2 | Very low | 65.5 | Low | 275 Ų | 275 | 138.3 Ų | 138.3 | 100% | 1.196 | 70% | 0.701 | S | S | * | * | trans | -124.6 | 0 | 144.9 | -86.1 | -169.1 | 177.2 | -178.5 | 0 | 107.8 |
Retrieved 68 of 68 residues in 126.4 ms
(Link to these results)