| 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 | 57.2 | Low | 55.1 | Low | 216 Ų | 216 | 126.2 Ų | 126.2 | 100% | 1.064 | 65% | 0.646 | S | S | * | * | 0 | 22.4 | 0 | -149.3 | -178.2 | 173.1 | 0 | 0 | 113.8 | |||||
| 2 | L | 54.6 | Low | 54.5 | Low | 148 Ų | 148 | 131.9 Ų | 131.9 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | trans | -106 | -27.5 | -178.7 | -81.4 | 157 | 0 | 0 | 0 | 113.3 | S4 K5 | L2-S4 PolarHBondContact O-N 3.23Å; L2-K5 PolarHBondContact O-N 3.43Å | ||
| 3 | I | 57.7 | Low | 54 | Low | 143 Ų | 143 | 127 Ų | 127 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.7 | -31.2 | -175.9 | -58.3 | 165.3 | 0 | 0 | 0 | 111.7 | K5 A6 V7 | I3-K5 VanDerWaalsContact C-N 3.33Å; I3-K5 PolarHBondContact O-N 2.86Å; I3-A6 PolarHBondContact O-N 3.44Å; I3-V7 PolarHBondContact O-N 2.92Å |
| 4 | S | 57.2 | Low | 53.3 | Low | 80 Ų | 80 | 127.8 Ų | 127.8 | 56% | 0.559 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.1 | -26.2 | 179.6 | 59.6 | 0 | 0 | 0 | 0 | 114 | L2 S8 | L2-S4 PolarHBondContact O-N 3.23Å; S4-S8 PolarHBondContact O-N 3.15Å |
| 5 | K | 54.3 | Low | 52.7 | Low | 146 Ų | 146 | 129.1 Ų | 129.1 | 64% | 0.635 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.5 | -28.2 | 176.9 | -72.3 | -177.2 | 174.3 | -179.8 | 0 | 112.7 | L2 I3 S8 F9 | L2-K5 PolarHBondContact O-N 3.43Å; I3-K5 VanDerWaalsContact C-N 3.33Å; I3-K5 PolarHBondContact O-N 2.86Å; K5-S8 PolarHBondContact O-OG 3.19Å; K5-F9 PolarHBondContact O-N 3.14Å |
| 6 | A | 57.1 | Low | 52.1 | Low | 53 Ų | 53 | 128.3 Ų | 128.3 | 44% | 0.438 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -72.5 | -39.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I3 S8 F9 I10 | I3-A6 PolarHBondContact O-N 3.44Å; A6-S8 VanDerWaalsContact C-N 3.34Å; A6-S8 PolarHBondContact O-N 2.81Å; A6-F9 PolarHBondContact O-N 3.27Å; A6-I10 WeakPolarHBondContact O-CG1 3.41Å; A6-I10 PolarHBondContact O-N 3.15Å |
| 7 | V | 58.2 | Low | 51.4 | Low | 78 Ų | 78 | 129.1 Ų | 129.1 | 47% | 0.473 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.2 | -32.9 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | I3 R11 | I3-V7 PolarHBondContact O-N 2.92Å; V7-R11 PolarHBondContact O-N 3.32Å |
| 8 | S | 55.9 | Low | 51.1 | Low | 66 Ų | 66 | 127.3 Ų | 127.3 | 46% | 0.462 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.6 | -31.5 | 176 | 71.3 | 0 | 0 | 0 | 0 | 113 | S4 K5 A6 R12 | S4-S8 PolarHBondContact O-N 3.15Å; K5-S8 PolarHBondContact O-OG 3.19Å; A6-S8 VanDerWaalsContact C-N 3.34Å; A6-S8 PolarHBondContact O-N 2.81Å; S8-R12 PolarHBondContact O-N 3.09Å; S8-R12 VanDerWaalsContact O-N 3.15Å |
| 9 | F | 52 | Low | 50.7 | Low | 161 Ų | 161 | 126.3 Ų | 126.3 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.9 | -39.7 | 175.3 | -108.5 | -90.7 | 0 | 0 | 0 | 112.5 | K5 A6 R12 S13 | K5-F9 PolarHBondContact O-N 3.14Å; A6-F9 PolarHBondContact O-N 3.27Å; F9-R12 PolarHBondContact O-N 3.21Å; F9-S13 PolarHBondContact O-N 3.26Å; F9-S13 VanDerWaalsContact O-N 3.15Å |
| 10 | I | 55 | Low | 50.6 | Low | 106 Ų | 106 | 129.6 Ų | 129.6 | 54% | 0.544 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -70.5 | -35.5 | 178.6 | -61.9 | 167.6 | 0 | 0 | 0 | 111.3 | A6 R12 S13 L14 | A6-I10 WeakPolarHBondContact O-CG1 3.41Å; A6-I10 PolarHBondContact O-N 3.15Å; I10-R12 VanDerWaalsContact C-N 3.31Å; I10-R12 PolarHBondContact O-N 3.18Å; I10-S13 PolarHBondContact O-OG 3.04Å; I10-L14 PolarHBondContact O-N 3.24Å |
| 11 | R | 47.3 | Very low | 50.7 | Low | 191 Ų | 191 | 127.8 Ų | 127.8 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.3 | -30.9 | 172 | -77.4 | -171.8 | 175.6 | -166 | -0.7 | 112.6 | V7 | V7-R11 PolarHBondContact O-N 3.32Å |
| 12 | R | 47.9 | Very low | 50.4 | Low | 195 Ų | 195 | 129.2 Ų | 129.2 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.8 | -32.8 | 177.4 | -118.6 | 177.7 | -178.4 | -149.2 | 0.1 | 113.1 | S8 F9 I10 I16 | S8-R12 PolarHBondContact O-N 3.09Å; S8-R12 VanDerWaalsContact O-N 3.15Å; F9-R12 PolarHBondContact O-N 3.21Å; I10-R12 VanDerWaalsContact C-N 3.31Å; I10-R12 PolarHBondContact O-N 3.18Å; R12-I16 WeakPolarHBondContact O-CG1 3.49Å |
| 13 | S | 47.9 | Very low | 50.4 | Low | 68 Ų | 68 | 128 Ų | 128 | 48% | 0.476 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.5 | -28.4 | 177.8 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | F9 I10 Q15 | F9-S13 PolarHBondContact O-N 3.26Å; F9-S13 VanDerWaalsContact O-N 3.15Å; I10-S13 PolarHBondContact O-OG 3.04Å; S13-Q15 VanDerWaalsContact C-N 3.33Å |
| 14 | L | 43.5 | Very low | 50.5 | Low | 138 Ų | 138 | 124.3 Ų | 124.3 | 72% | 0.723 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77 | -17 | 178.8 | -75.1 | 161.7 | 0 | 0 | 0 | 113.5 | I10 | I10-L14 PolarHBondContact O-N 3.24Å |
| 15 | Q | 44.2 | Very low | 50.7 | Low | 148 Ų | 148 | 125 Ų | 125 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.8 | 176.5 | -70.9 | -158.7 | -38.8 | 0 | 0 | 114.3 | S13 N17 | S13-Q15 VanDerWaalsContact C-N 3.33Å; Q15-N17 VanDerWaalsContact C-N 3.26Å; Q15-N17 PolarHBondContact O-N 3.46Å |
| 16 | I | 43.9 | Very low | 50.9 | Low | 115 Ų | 115 | 125.8 Ų | 125.8 | 59% | 0.59 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -11.6 | -172.3 | -62.8 | 171.4 | 0 | 0 | 0 | 112.7 | R12 | R12-I16 WeakPolarHBondContact O-CG1 3.49Š|
| 17 | N | 40.8 | Very low | 51.1 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -2.7 | -173.9 | -69.2 | -13.2 | 0 | 0 | 0 | 115.9 | Q15 | Q15-N17 VanDerWaalsContact C-N 3.26Å; Q15-N17 PolarHBondContact O-N 3.46Å |
| 18 | A | 45.5 | Very low | 51.2 | Low | 96 Ų | 96 | 126.1 Ų | 126.1 | 79% | 0.793 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 19 | T | 43.8 | Very low | 51.5 | Low | 108 Ų | 108 | 127.7 Ų | 127.7 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 18.9 | -179 | 55 | 0 | 0 | 0 | 0 | 113.3 | V21 | T19-V21 WeakPolarHBondContact O-CG2 3.27Å; T19-V21 PolarHBondContact O-N 2.69Å |
| 20 | R | 47.5 | Very low | 52.1 | Low | 192 Ų | 192 | 128.3 Ų | 128.3 | 73% | 0.725 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -74.7 | 63.5 | 159.9 | -157.2 | 176.8 | -170.2 | -178.8 | 2 | 109.3 | ||
| 21 | V | 52.7 | Low | 52.7 | Low | 93 Ų | 93 | 126 Ų | 126 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | trans | 43.3 | 93.9 | 148 | -166.5 | 0 | 0 | 0 | 0 | 113 | T19 R23 | T19-V21 WeakPolarHBondContact O-CG2 3.27Å; T19-V21 PolarHBondContact O-N 2.69Å; V21-R23 HydrophobicContact CG1-CB 3.68Å; V21-R23 HydrophobicContact CG1-CG 3.48Å; V21-R23 VanDerWaalsContact CG1-CG 3.48Å; V21-R23 PolarHBondContact O-N 3.24Å | ||
| 22 | Y | 51.7 | Low | 54 | Low | 245 Ų | 245 | 117.5 Ų | 117.5 | 96% | 0.961 | 60% | 0.599 | S | S | * | * | trans | -62.7 | 71.6 | 151.5 | -133.3 | -88.3 | 0 | 0 | 0 | 107.1 | S24 | Y22-S24 PolarHBondContact O-N 3.06Š| ||
| 23 | R | 55.2 | Low | 55.4 | Low | 122 Ų | 122 | 111.7 Ų | 111.7 | 46% | 0.46 | 58% | 0.58 | S | S | . | * | trans | -71.4 | 128.6 | 172.5 | -122.5 | 169.9 | -169.3 | 168.8 | 5.9 | 105 | V21 S25 L28 E33 | V21-R23 HydrophobicContact CG1-CB 3.68Å; V21-R23 HydrophobicContact CG1-CG 3.48Å; V21-R23 VanDerWaalsContact CG1-CG 3.48Å; V21-R23 PolarHBondContact O-N 3.24Å; R23-S25 PolarHBondContact O-N 2.87Å; R23-L28 HydrophobicContact CB-CD1 4.45Å; R23-E33 IonicContact CZ-OE2 3.86Å; R23-E33 IonicContact NH1-OE1 3.74Å; R23-E33 IonicContact NH1-OE2 2.75Å; R23-E33 PolarHBondContact NH1-OE2 3Å | ||
| 24 | S | 58.8 | Low | 57.1 | Low | 66 Ų | 66 | 111.8 Ų | 111.8 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | trans | -47.6 | 130.4 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | Y22 K26 E27 L28 | Y22-S24 PolarHBondContact O-N 3.06Å; S24-K26 PolarHBondContact O-N 3.43Å; S24-E27 PolarHBondContact O-N 3.05Å; S24-L28 PolarHBondContact O-N 3.01Å | ||
| 25 | S | 61.5 | Low | 58.9 | Low | 95 Ų | 95 | 106.3 Ų | 106.3 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -52.4 | -28 | -175 | -33.1 | 0 | 0 | 0 | 0 | 112.4 | R23 V29 | R23-S25 PolarHBondContact O-N 2.87Å; S25-V29 WeakPolarHBondContact O-CB 3.48Å; S25-V29 WeakPolarHBondContact O-CG2 3.32Å; S25-V29 PolarHBondContact O-N 2.67Å; S25-V29 VanDerWaalsContact O-N 3.16Å |
| 26 | K | 58.7 | Low | 60.9 | Low | 163 Ų | 163 | 103.5 Ų | 103.5 | 71% | 0.709 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.6 | -46.5 | 176.4 | -67.1 | -173.5 | 177.2 | -176.1 | 0 | 113 | S24 L28 V29 E30 | S24-K26 PolarHBondContact O-N 3.43Å; K26-L28 VanDerWaalsContact C-N 3.29Å; K26-L28 PolarHBondContact O-N 2.85Å; K26-V29 PolarHBondContact O-N 2.98Å; K26-E30 PolarHBondContact O-N 3.25Å |
| 27 | E | 60.7 | Low | 62.8 | Low | 111 Ų | 111 | 101.9 Ų | 101.9 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -35.7 | 179.9 | -69.4 | -176.9 | 173.6 | 0 | 0 | 111.7 | S24 E30 S31 | S24-E27 PolarHBondContact O-N 3.05Å; E27-E30 PolarHBondContact O-N 3.33Å; E27-S31 VanDerWaalsContact O-CB 3.31Å; E27-S31 WeakPolarHBondContact O-CB 3.31Å; E27-S31 PolarHBondContact O-N 2.99Å; E27-S31 PolarHBondContact O-OG 3.2Å; E27-S31 VanDerWaalsContact O-OG 3.07Å |
| 28 | L | 59.8 | Low | 65.1 | Low | 27 Ų | 27 | 100.7 Ų | 100.7 | 14% | 0.141 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -72.2 | -32 | 178.9 | -157.6 | 108.6 | 0 | 0 | 0 | 112.6 | R23 S24 K26 G32 A35 W48 | R23-L28 HydrophobicContact CB-CD1 4.45Å; S24-L28 PolarHBondContact O-N 3.01Å; K26-L28 VanDerWaalsContact C-N 3.29Å; K26-L28 PolarHBondContact O-N 2.85Å; L28-G32 PolarHBondContact O-N 3.02Å; L28-A35 HydrophobicContact CD1-CB 3.78Å; L28-A35 HydrophobicContact CD2-CB 3.42Å; L28-A35 VanDerWaalsContact CD2-CB 3.42Å; L28-A35 HydrophobicContact CG-CB 4.22Å; L28-W48 VanDerWaalsContact CD2-CD1 3.49Å; L28-W48 HydrophobicContact CD2-CG 4.47Å |
| 29 | V | 62.6 | Low | 67.2 | Low | 99 Ų | 99 | 97.3 Ų | 97.3 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.2 | -38.4 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | S25 K26 | S25-V29 WeakPolarHBondContact O-CB 3.48Å; S25-V29 WeakPolarHBondContact O-CG2 3.32Å; S25-V29 PolarHBondContact O-N 2.67Å; S25-V29 VanDerWaalsContact O-N 3.16Å; K26-V29 PolarHBondContact O-N 2.98Å |
| 30 | E | 64.9 | Low | 69.2 | Low | 173 Ų | 173 | 98.5 Ų | 98.5 | 81% | 0.808 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.8 | -37.9 | 178.5 | -75 | 179.3 | 178.7 | 0 | 0 | 113.3 | K26 E27 G32 | K26-E30 PolarHBondContact O-N 3.25Å; E27-E30 PolarHBondContact O-N 3.33Å; E30-G32 VanDerWaalsContact C-N 3.28Å; E30-G32 PolarHBondContact O-N 3.3Å |
| 31 | S | 68.6 | Low | 71.4 | Confident | 58 Ų | 58 | 96.2 Ų | 96.2 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.9 | -16.9 | 179.7 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | E27 E33 | E27-S31 VanDerWaalsContact O-CB 3.31Å; E27-S31 WeakPolarHBondContact O-CB 3.31Å; E27-S31 PolarHBondContact O-N 2.99Å; E27-S31 PolarHBondContact O-OG 3.2Å; E27-S31 VanDerWaalsContact O-OG 3.07Å; S31-E33 PolarHBondContact O-N 3.29Å; S31-E33 WeakPolarHBondContact OG-CB 3.34Å; S31-E33 VanDerWaalsContact OG-CG 3.26Å; S31-E33 WeakPolarHBondContact OG-CG 3.41Å; S31-E33 PolarHBondContact OG-N 3.46Å |
| 32 | G | 73.2 | Confident | 73.1 | Confident | 13 Ų | 13 | 94.2 Ų | 94.2 | 13% | 0.134 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 22.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L28 E30 R52 | L28-G32 PolarHBondContact O-N 3.02Å; E30-G32 VanDerWaalsContact C-N 3.28Å; E30-G32 PolarHBondContact O-N 3.3Å; G32-R52 WeakPolarHBondContact O-CG 3.26Å; G32-R52 PolarHBondContact O-NE 3.31Å |
| 33 | E | 77.1 | Confident | 75 | Confident | 72 Ų | 72 | 86.7 Ų | 86.7 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | trans | -78.2 | 142.1 | 178.4 | -72 | 176.8 | 168.5 | 0 | 0 | 110.7 | R23 S31 | R23-E33 IonicContact CZ-OE2 3.86Å; R23-E33 IonicContact NH1-OE1 3.74Å; R23-E33 IonicContact NH1-OE2 2.75Å; R23-E33 PolarHBondContact NH1-OE2 3Å; S31-E33 PolarHBondContact O-N 3.29Å; S31-E33 WeakPolarHBondContact OG-CB 3.34Å; S31-E33 VanDerWaalsContact OG-CG 3.26Å; S31-E33 WeakPolarHBondContact OG-CG 3.41Å; S31-E33 PolarHBondContact OG-N 3.46Å | ||
| 34 | S | 84 | Confident | 76.8 | Confident | 71 Ų | 71 | 84.8 Ų | 84.8 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | trans | -76.3 | 137.3 | 174.2 | -47.8 | 0 | 0 | 0 | 0 | 109.8 | W48 | S34-W48 CarbonylContact C-O 3.39Å; S34-W48 WeakPolarHBondContact CA-O 3.46Å | ||
| 35 | A | 81.7 | Confident | 78.3 | Confident | 22 Ų | 22 | 86 Ų | 86 | 18% | 0.182 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 150.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L28 W48 | L28-A35 HydrophobicContact CD1-CB 3.78Å; L28-A35 HydrophobicContact CD2-CB 3.42Å; L28-A35 VanDerWaalsContact CD2-CB 3.42Å; L28-A35 HydrophobicContact CG-CB 4.22Å; A35-W48 PolarHBondContact N-O 3.14Å; A35-W48 PolarHBondContact O-N 2.84Å |
| 36 | I | 86.8 | Confident | 79.6 | Confident | 89 Ų | 89 | 85 Ų | 85 | 46% | 0.456 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.2 | 171.7 | -56.6 | 172.9 | 0 | 0 | 0 | 106.1 | V45 V46 | I36-V45 HydrophobicContact CG2-CG1 3.64Å; I36-V46 WeakPolarHBondContact CA-O 3.1Å |
| 37 | T | 83.9 | Confident | 81 | Confident | 82 Ų | 82 | 80.6 Ų | 80.6 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 161.2 | 178.2 | 58.6 | 0 | 0 | 0 | 0 | 110 | V46 | T37-V46 PolarHBondContact N-O 3.4Å; T37-V46 PolarHBondContact O-N 3.43Å |
| 38 | L | 88.9 | Confident | 82.2 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 147.4 | 170.7 | -65.3 | 173.8 | 0 | 0 | 0 | 108.7 | V44 V45 | L38-V44 CarbonylContact C-O 3.02Å; L38-V44 WeakPolarHBondContact CA-O 3.39Å; L38-V45 HydrophobicContact CD2-CB 4.37Å; L38-V45 HydrophobicContact CD2-CG2 3.67Å |
| 39 | S | 89 | Confident | 83.6 | Confident | 25 Ų | 25 | 87.1 Ų | 87.1 | 18% | 0.175 | 51% | 0.51 | C | S | . | . | trans | -56.3 | 153.3 | 165.9 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | D41 G42 A43 V44 | S39-D41 PolarHBondContact O-N 3.27Å; S39-D41 VanDerWaalsContact O-N 3.09Å; S39-G42 WeakPolarHBondContact O-CA 3.48Å; S39-G42 PolarHBondContact O-N 3.18Å; S39-G42 PolarHBondContact OG-N 3.29Å; S39-A43 PolarHBondContact OG-N 3.32Å; S39-A43 VanDerWaalsContact OG-N 3.16Å; S39-V44 PolarHBondContact N-O 3.16Å; S39-V44 PolarHBondContact OG-N 3.02Å; S39-V44 PolarHBondContact OG-O 2.88Å | ||
| 40 | P | 87 | Confident | 84.8 | Confident | 133 Ų | 133 | 84.1 Ų | 84.1 | 86% | 0.864 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -33.7 | 176.7 | 21.2 | -33 | 0 | 0 | 0 | 112.7 | G42 | P40-G42 VanDerWaalsContact C-N 3.27Å; P40-G42 PolarHBondContact O-N 3.02Å |
| 41 | D | 91.9 | Very high | 85.9 | Confident | 145 Ų | 145 | 82.5 Ų | 82.5 | 78% | 0.775 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -1.3 | 179 | -53.5 | -25.2 | 0 | 0 | 0 | 113.6 | S39 A43 | S39-D41 PolarHBondContact O-N 3.27Å; S39-D41 VanDerWaalsContact O-N 3.09Å; D41-A43 PolarHBondContact O-N 3.5Å |
| 42 | G | 89.6 | Confident | 86.8 | Confident | 50 Ų | 50 | 88 Ų | 88 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | S | Bend | trans | 68 | -1.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S39 P40 | S39-G42 WeakPolarHBondContact O-CA 3.48Å; S39-G42 PolarHBondContact O-N 3.18Å; S39-G42 PolarHBondContact OG-N 3.29Å; P40-G42 VanDerWaalsContact C-N 3.27Å; P40-G42 PolarHBondContact O-N 3.02Å |
| 43 | A | 92.2 | Very high | 87.5 | Confident | 88 Ų | 88 | 96.7 Ų | 96.7 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -77.1 | -26.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S39 D41 | S39-A43 PolarHBondContact OG-N 3.32Å; S39-A43 VanDerWaalsContact OG-N 3.16Å; D41-A43 PolarHBondContact O-N 3.5Å |
| 44 | V | 91.5 | Very high | 88.1 | Confident | 82 Ų | 82 | 98.5 Ų | 98.5 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | trans | -125.3 | 135 | -173.5 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | L38 S39 V46 | L38-V44 CarbonylContact C-O 3.02Å; L38-V44 WeakPolarHBondContact CA-O 3.39Å; S39-V44 PolarHBondContact N-O 3.16Å; S39-V44 PolarHBondContact OG-N 3.02Å; S39-V44 PolarHBondContact OG-O 2.88Å; V44-V46 HydrophobicContact CG1-CG2 4.28Å | ||
| 45 | V | 91.1 | Very high | 88.4 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.8 | 168.2 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | I36 L38 | I36-V45 HydrophobicContact CG2-CG1 3.64Å; L38-V45 HydrophobicContact CD2-CB 4.37Å; L38-V45 HydrophobicContact CD2-CG2 3.67Å |
| 46 | V | 88.1 | Confident | 89 | Confident | 72 Ų | 72 | 106.4 Ų | 106.4 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.5 | 176.8 | -179 | 0 | 0 | 0 | 0 | 108.9 | I36 T37 V44 | I36-V46 WeakPolarHBondContact CA-O 3.1Å; T37-V46 PolarHBondContact N-O 3.4Å; T37-V46 PolarHBondContact O-N 3.43Å; V44-V46 HydrophobicContact CG1-CG2 4.28Å |
| 47 | C | 88.6 | Confident | 89.4 | Confident | 71 Ų | 71 | 109.7 Ų | 109.7 | 48% | 0.48 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.8 | 178.3 | -63 | 0 | 0 | 0 | 0 | 110 | ||
| 48 | W | 85.5 | Confident | 89.9 | Confident | 137 Ų | 137 | 110.4 Ų | 110.4 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.7 | 173.3 | 177.7 | -107.8 | 0 | 0 | 0 | 109.5 | L28 S34 A35 P50 | L28-W48 VanDerWaalsContact CD2-CD1 3.49Å; L28-W48 HydrophobicContact CD2-CG 4.47Å; S34-W48 CarbonylContact C-O 3.39Å; S34-W48 WeakPolarHBondContact CA-O 3.46Å; A35-W48 PolarHBondContact N-O 3.14Å; A35-W48 PolarHBondContact O-N 2.84Å; W48-P50 HydrophobicContact CZ2-CB 4.12Å |
| 49 | H | 88.7 | Confident | 90.3 | Very high | 138 Ų | 138 | 108.1 Ų | 108.1 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | trans | -135.9 | 82.3 | -178.5 | 47.4 | 67.3 | 0 | 0 | 0 | 110.5 | ||||
| 50 | P | 89.4 | Confident | 90.5 | Very high | 36 Ų | 36 | 116 Ų | 116 | 23% | 0.234 | 62% | 0.624 | C | S | . | * | P | Polyproline II helix | trans | -70.4 | 150.3 | 178.6 | 30.7 | -33 | 0 | 0 | 0 | 110.4 | W48 R52 | W48-P50 HydrophobicContact CZ2-CB 4.12Å; P50-R52 PolarHBondContact O-N 3.14Å |
| 51 | V | 87.5 | Confident | 90.8 | Very high | 140 Ų | 140 | 115.5 Ų | 115.5 | 85% | 0.848 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 123.5 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 52 | R | 86.6 | Confident | 90.7 | Very high | 173 Ų | 173 | 115.3 Ų | 115.3 | 65% | 0.653 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 130.2 | 177.4 | -66.8 | -176.6 | -179.6 | 175.8 | 1.8 | 110.4 | G32 P50 | G32-R52 WeakPolarHBondContact O-CG 3.26Å; G32-R52 PolarHBondContact O-NE 3.31Å; P50-R52 PolarHBondContact O-N 3.14Å |
| 53 | K | 88.1 | Confident | 90.6 | Very high | 195 Ų | 195 | 118.4 Ų | 118.4 | 85% | 0.848 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 144.6 | 169.9 | -63.7 | -179.2 | -178.6 | 177.5 | 0 | 109.3 | ||
| 54 | V | 89.3 | Confident | 90.2 | Very high | 110 Ų | 110 | 120.3 Ų | 120.3 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 122.7 | 171.3 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | C58 | V54-C58 HydrophobicContact CG1-CB 4.09Š|
| 55 | P | 91.7 | Very high | 89.6 | Confident | 70 Ų | 70 | 121.1 Ų | 121.1 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 146.7 | 176 | -22.1 | 32.9 | 0 | 0 | 0 | 111.4 | E57 C58 | P55-E57 WeakPolarHBondContact CB-OE2 3.04Å; P55-E57 PolarHBondContact O-N 3.13Å; P55-C58 WeakPolarHBondContact O-CB 3.25Å; P55-C58 PolarHBondContact O-N 3.38Å; P55-C58 VanDerWaalsContact O-N 3.09Å |
| 56 | Y | 93.6 | Very high | 88.8 | Confident | 189 Ų | 189 | 121.5 Ų | 121.5 | 74% | 0.741 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -63.8 | -32.7 | -177.1 | -179.6 | -104.3 | 0 | 0 | 0 | 111.8 | C58 T59 | Y56-C58 PolarHBondContact O-N 2.97Å; Y56-T59 WeakPolarHBondContact O-CB 3.37Å; Y56-T59 PolarHBondContact O-N 3.08Å; Y56-T59 PolarHBondContact O-OG1 3.21Å |
| 57 | E | 96.3 | Very high | 88 | Confident | 159 Ų | 159 | 126.2 Ų | 126.2 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -62.5 | -22.9 | 177.6 | -56.5 | 76.7 | -168.3 | 0 | 0 | 112.4 | P55 T59 | P55-E57 WeakPolarHBondContact CB-OE2 3.04Å; P55-E57 PolarHBondContact O-N 3.13Å; E57-T59 VanDerWaalsContact C-N 3.33Å |
| 58 | C | 94 | Very high | 86.9 | Confident | 97 Ų | 97 | 126 Ų | 126 | 66% | 0.655 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -88.5 | 1.3 | 175.5 | -60 | 0 | 0 | 0 | 0 | 113.2 | V54 P55 Y56 | V54-C58 HydrophobicContact CG1-CB 4.09Å; P55-C58 WeakPolarHBondContact O-CB 3.25Å; P55-C58 PolarHBondContact O-N 3.38Å; P55-C58 VanDerWaalsContact O-N 3.09Å; Y56-C58 PolarHBondContact O-N 2.97Å |
| 59 | T | 95.8 | Very high | 85.7 | Confident | 68 Ų | 68 | 125.2 Ų | 125.2 | 42% | 0.417 | 64% | 0.644 | S | S | . | * | trans | -95.7 | 156.9 | 177.4 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | Y56 E57 | Y56-T59 WeakPolarHBondContact O-CB 3.37Å; Y56-T59 PolarHBondContact O-N 3.08Å; Y56-T59 PolarHBondContact O-OG1 3.21Å; E57-T59 VanDerWaalsContact C-N 3.33Å | ||
| 60 | K | 94.2 | Very high | 84.5 | Confident | 190 Ų | 190 | 128.5 Ų | 128.5 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | trans | -112.1 | 143.2 | 172.2 | -67.9 | 179.8 | -179.1 | 177.8 | 0 | 108.7 | ||||
| 61 | P | 93.1 | Very high | 83.1 | Confident | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 66% | 0.664 | S | S | * | * | trans | -61.7 | 142.9 | 174 | 27.6 | -34.2 | 0 | 0 | 0 | 109.9 | S63 | P61-S63 PolarHBondContact O-N 3.18Š| ||
| 62 | I | 90.3 | Very high | 81.4 | Confident | 141 Ų | 141 | 130.2 Ų | 130.2 | 72% | 0.723 | 66% | 0.664 | S | S | * | * | trans | -65.2 | 125.1 | 173.8 | -62 | 170.9 | 0 | 0 | 0 | 107.6 | H64 | I62-H64 PolarHBondContact O-CD2 3.14Å; I62-H64 VanDerWaalsContact O-CD2 3.28Å; I62-H64 PolarHBondContact O-N 3.06Å; I62-H64 VanDerWaalsContact O-N 3.17Å | ||
| 63 | S | 87.5 | Confident | 80 | Confident | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -69.7 | 113.2 | 177.8 | 57.1 | 0 | 0 | 0 | 0 | 109.7 | P61 | P61-S63 PolarHBondContact O-N 3.18Š| ||
| 64 | H | 82.7 | Confident | 78.9 | Confident | 128 Ų | 128 | 121 Ų | 121 | 59% | 0.593 | 65% | 0.646 | S | S | * | * | trans | -94.3 | 124.5 | 167.5 | -62.5 | -76.7 | 0 | 0 | 0 | 108.6 | I62 I66 L69 | I62-H64 PolarHBondContact O-CD2 3.14Å; I62-H64 VanDerWaalsContact O-CD2 3.28Å; I62-H64 PolarHBondContact O-N 3.06Å; I62-H64 VanDerWaalsContact O-N 3.17Å; H64-I66 HydrophobicContact CB-CG2 4.4Å; H64-I66 PolarHBondContact O-N 2.91Å; H64-L69 HydrophobicContact CB-CD1 4.13Å | ||
| 65 | D | 79.8 | Confident | 77.3 | Confident | 99 Ų | 99 | 121.4 Ų | 121.4 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | trans | -74.6 | 78.9 | 169 | -172.4 | 0.8 | 0 | 0 | 0 | 109.2 | K67 S68 L69 | D65-K67 PolarHBondContact O-N 3.31Å; D65-K67 WeakPolarHBondContact OD1-CB 3.24Å; D65-K67 PolarHBondContact OD1-N 3.02Å; D65-S68 PolarHBondContact O-N 3.13Å; D65-S68 PolarHBondContact O-OG 2.78Å; D65-S68 PolarHBondContact OD1-N 3.48Å; D65-L69 WeakPolarHBondContact O-CG 3.18Å; D65-L69 PolarHBondContact O-N 3.07Å; D65-L69 VanDerWaalsContact O-N 3.13Å | ||
| 66 | I | 74.6 | Confident | 76 | Confident | 100 Ų | 100 | 125.9 Ų | 125.9 | 51% | 0.513 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -55.2 | -22.3 | 179.5 | 51.1 | 163 | 0 | 0 | 0 | 112.8 | H64 R70 | H64-I66 HydrophobicContact CB-CG2 4.4Å; H64-I66 PolarHBondContact O-N 2.91Å; I66-R70 VanDerWaalsContact O-CB 3.27Å; I66-R70 WeakPolarHBondContact O-CB 3.38Å; I66-R70 VanDerWaalsContact O-CG 3.25Å; I66-R70 WeakPolarHBondContact O-CG 3.4Å; I66-R70 PolarHBondContact O-N 3.04Å |
| 67 | K | 70.2 | Confident | 74.6 | Confident | 172 Ų | 172 | 125.3 Ų | 125.3 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -74.3 | -43.7 | 177.9 | -65.4 | 180 | 179.1 | 178.6 | 0 | 110.8 | D65 L69 R70 T71 | D65-K67 PolarHBondContact O-N 3.31Å; D65-K67 WeakPolarHBondContact OD1-CB 3.24Å; D65-K67 PolarHBondContact OD1-N 3.02Å; K67-L69 VanDerWaalsContact C-N 3.3Å; K67-L69 PolarHBondContact O-N 3.49Å; K67-R70 PolarHBondContact O-N 2.86Å; K67-T71 PolarHBondContact O-N 3.22Å; K67-T71 PolarHBondContact O-OG1 3.48Å |
| 68 | S | 65.4 | Low | 73 | Confident | 66 Ų | 66 | 123.7 Ų | 123.7 | 46% | 0.462 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -65.6 | -33.3 | 173.4 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | D65 T71 | D65-S68 PolarHBondContact O-N 3.13Å; D65-S68 PolarHBondContact O-OG 2.78Å; D65-S68 PolarHBondContact OD1-N 3.48Å; S68-T71 PolarHBondContact O-OG1 2.74Å |
| 69 | L | 61.8 | Low | 71.6 | Confident | 120 Ų | 120 | 123.6 Ų | 123.6 | 63% | 0.628 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79.4 | -26.1 | -179.6 | -66.8 | 167.4 | 0 | 0 | 0 | 113.6 | H64 D65 K67 | H64-L69 HydrophobicContact CB-CD1 4.13Å; D65-L69 WeakPolarHBondContact O-CG 3.18Å; D65-L69 PolarHBondContact O-N 3.07Å; D65-L69 VanDerWaalsContact O-N 3.13Å; K67-L69 VanDerWaalsContact C-N 3.3Å; K67-L69 PolarHBondContact O-N 3.49Å |
| 70 | R | 62.9 | Low | 70 | Confident | 207 Ų | 207 | 124.5 Ų | 124.5 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -83.5 | -17 | 178.1 | -82.1 | -177.3 | 179.6 | -170 | 1.1 | 113.7 | I66 K67 P72 | I66-R70 VanDerWaalsContact O-CB 3.27Å; I66-R70 WeakPolarHBondContact O-CB 3.38Å; I66-R70 VanDerWaalsContact O-CG 3.25Å; I66-R70 WeakPolarHBondContact O-CG 3.4Å; I66-R70 PolarHBondContact O-N 3.04Å; K67-R70 PolarHBondContact O-N 2.86Å; R70-P72 VanDerWaalsContact O-CD 3.29Å; R70-P72 WeakPolarHBondContact O-CD 3.19Å |
| 71 | T | 59.9 | Low | 68.4 | Low | 82 Ų | 82 | 117.8 Ų | 117.8 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -65.4 | 118 | 172.9 | 8.3 | 0 | 0 | 0 | 0 | 109.5 | K67 S68 T73 | K67-T71 PolarHBondContact O-N 3.22Å; K67-T71 PolarHBondContact O-OG1 3.48Å; S68-T71 PolarHBondContact O-OG1 2.74Å; T71-T73 PolarHBondContact O-N 3.49Å |
| 72 | P | 52.9 | Low | 66.8 | Low | 131 Ų | 131 | 115.7 Ų | 115.7 | 85% | 0.851 | 62% | 0.624 | S | S | * | * | trans | -77.4 | 78.3 | 175.6 | 32.9 | -32.8 | 0 | 0 | 0 | 108.6 | R70 | R70-P72 VanDerWaalsContact O-CD 3.29Å; R70-P72 WeakPolarHBondContact O-CD 3.19Å | ||
| 73 | T | 56.8 | Low | 65.5 | Low | 103 Ų | 103 | 112.9 Ų | 112.9 | 63% | 0.632 | 61% | 0.614 | S | S | * | * | trans | -89 | 115.4 | 164.7 | -33.3 | 0 | 0 | 0 | 0 | 106.3 | T71 | T71-T73 PolarHBondContact O-N 3.49Š| ||
| 74 | S | 65 | Low | 64.3 | Low | 72 Ų | 72 | 112.6 Ų | 112.6 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | trans | -46.1 | 127.2 | 172.1 | 167.4 | 0 | 0 | 0 | 0 | 110.1 | L76 K77 | S74-L76 PolarHBondContact O-N 3.26Å; S74-K77 PolarHBondContact O-N 3.28Å | ||
| 75 | P | 56.2 | Low | 63.1 | Low | 117 Ų | 117 | 111.7 Ų | 111.7 | 76% | 0.76 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -5.7 | -170.6 | 24.4 | -33.5 | 0 | 0 | 0 | 114.9 | ||
| 76 | L | 63 | Low | 62.2 | Low | 165 Ų | 165 | 115.4 Ų | 115.4 | 86% | 0.864 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 6.1 | -177.6 | -74.7 | 159.7 | 0 | 0 | 0 | 113.7 | S74 | S74-L76 PolarHBondContact O-N 3.26Š|
| 77 | K | 63.5 | Low | 61.6 | Low | 176 Ų | 176 | 116.8 Ų | 116.8 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | trans | -125.6 | 53.7 | -172.9 | -139.4 | 179 | -171.5 | -177.7 | 0 | 112.3 | S74 | S74-K77 PolarHBondContact O-N 3.28Š| ||
| 78 | I | 63.5 | Low | 61 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 64% | 0.641 | 61% | 0.614 | S | S | * | * | trans | -91.8 | 105.6 | 167.8 | -63.5 | 158.5 | 0 | 0 | 0 | 106.6 | V80 | I78-V80 HydrophobicContact CG2-CG2 4.18Å; I78-V80 PolarHBondContact O-N 3.31Å | ||
| 79 | N | 64.7 | Low | 61.3 | Low | 96 Ų | 96 | 113.5 Ų | 113.5 | 51% | 0.513 | 62% | 0.624 | S | S | . | * | trans | -69.8 | 89.6 | 165.1 | -102.4 | -1.6 | 0 | 0 | 0 | 107.7 | S81 D82 | N79-S81 PolarHBondContact O-N 2.67Å; N79-S81 VanDerWaalsContact O-N 3.14Å; N79-D82 HydrophobicContact CB-CB 4.21Å; N79-D82 VanDerWaalsContact CB-OD2 3.25Å; N79-D82 WeakPolarHBondContact CB-OD2 3.4Å; N79-D82 PolarHBondContact ND2-OD2 3.01Å; N79-D82 VanDerWaalsContact ND2-OD2 3.08Å; N79-D82 PolarHBondContact O-N 3.18Å | ||
| 80 | V | 61.6 | Low | 62.1 | Low | 87 Ų | 87 | 116.2 Ų | 116.2 | 53% | 0.527 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -56.2 | -27.3 | 173.2 | -167.7 | 0 | 0 | 0 | 0 | 110.2 | I78 D82 T83 I84 | I78-V80 HydrophobicContact CG2-CG2 4.18Å; I78-V80 PolarHBondContact O-N 3.31Å; V80-D82 VanDerWaalsContact C-N 3.31Å; V80-D82 PolarHBondContact O-N 3.17Å; V80-T83 PolarHBondContact O-OG1 2.84Å; V80-T83 VanDerWaalsContact O-OG1 3.13Å; V80-I84 HydrophobicContact CG1-CD1 3.56Å; V80-I84 HydrophobicContact CG1-CG1 4.18Å; V80-I84 WeakPolarHBondContact O-CB 3.47Å; V80-I84 VanDerWaalsContact O-CG1 3.24Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.35Å; V80-I84 VanDerWaalsContact O-N 3.14Å |
| 81 | S | 61.4 | Low | 63.1 | Low | 48 Ų | 48 | 110.1 Ų | 110.1 | 34% | 0.336 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -55.3 | -42 | 171.8 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | N79 T83 I84 I85 | N79-S81 PolarHBondContact O-N 2.67Å; N79-S81 VanDerWaalsContact O-N 3.14Å; S81-T83 VanDerWaalsContact C-N 3.34Å; S81-T83 PolarHBondContact O-N 3.3Å; S81-I84 PolarHBondContact O-N 3.09Å; S81-I85 WeakPolarHBondContact O-CB 3.25Å; S81-I85 VanDerWaalsContact O-CD1 3.26Å; S81-I85 WeakPolarHBondContact O-CD1 3.27Å; S81-I85 WeakPolarHBondContact O-CG1 3.25Å; S81-I85 PolarHBondContact O-N 2.93Å |
| 82 | D | 59.8 | Low | 64.4 | Low | 79 Ų | 79 | 110 Ų | 110 | 42% | 0.422 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -78.8 | -23.5 | -167.4 | -60 | -9.3 | 0 | 0 | 0 | 111.9 | N79 V80 K86 | N79-D82 HydrophobicContact CB-CB 4.21Å; N79-D82 VanDerWaalsContact CB-OD2 3.25Å; N79-D82 WeakPolarHBondContact CB-OD2 3.4Å; N79-D82 PolarHBondContact ND2-OD2 3.01Å; N79-D82 VanDerWaalsContact ND2-OD2 3.08Å; N79-D82 PolarHBondContact O-N 3.18Å; V80-D82 VanDerWaalsContact C-N 3.31Å; V80-D82 PolarHBondContact O-N 3.17Å; D82-K86 WeakPolarHBondContact O-CD 3.29Å; D82-K86 VanDerWaalsContact O-CG 3.25Å; D82-K86 WeakPolarHBondContact O-CG 3.25Å |
| 83 | T | 63 | Low | 66.3 | Low | 83 Ų | 83 | 106.7 Ų | 106.7 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -86.9 | -34.6 | 173.9 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | V80 S81 N87 | V80-T83 PolarHBondContact O-OG1 2.84Å; V80-T83 VanDerWaalsContact O-OG1 3.13Å; S81-T83 VanDerWaalsContact C-N 3.34Å; S81-T83 PolarHBondContact O-N 3.3Å; T83-N87 PolarHBondContact O-ND2 2.96Å |
| 84 | I | 62.3 | Low | 67.9 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 56% | 0.559 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.5 | -41.9 | 174.8 | -65.8 | 174.3 | 0 | 0 | 0 | 110.7 | V80 S81 N87 S88 | V80-I84 HydrophobicContact CG1-CD1 3.56Å; V80-I84 HydrophobicContact CG1-CG1 4.18Å; V80-I84 WeakPolarHBondContact O-CB 3.47Å; V80-I84 VanDerWaalsContact O-CG1 3.24Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.35Å; V80-I84 VanDerWaalsContact O-N 3.14Å; S81-I84 PolarHBondContact O-N 3.09Å; I84-N87 CarbonylContact O-C 3.47Å; I84-N87 PolarHBondContact O-N 3.16Å; I84-S88 WeakPolarHBondContact O-CA 3.5Å; I84-S88 PolarHBondContact O-N 3.06Å |
| 85 | I | 57.2 | Low | 69.1 | Low | 108 Ų | 108 | 107.2 Ų | 107.2 | 55% | 0.554 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70 | -38 | -176.3 | -66.8 | 164.1 | 0 | 0 | 0 | 111.5 | S81 N87 S88 | S81-I85 WeakPolarHBondContact O-CB 3.25Å; S81-I85 VanDerWaalsContact O-CD1 3.26Å; S81-I85 WeakPolarHBondContact O-CD1 3.27Å; S81-I85 WeakPolarHBondContact O-CG1 3.25Å; S81-I85 PolarHBondContact O-N 2.93Å; I85-N87 PolarHBondContact O-N 3.37Å; I85-S88 VanDerWaalsContact O-CB 3.31Å; I85-S88 WeakPolarHBondContact O-CB 3.4Å; I85-S88 PolarHBondContact O-N 3.39Å; I85-S88 PolarHBondContact O-OG 2.8Å |
| 86 | K | 61.4 | Low | 70.8 | Confident | 177 Ų | 177 | 103.7 Ų | 103.7 | 77% | 0.77 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.2 | -25.8 | 176.5 | -74.7 | 178.1 | -175.7 | -179.7 | 0 | 113.4 | D82 | D82-K86 WeakPolarHBondContact O-CD 3.29Å; D82-K86 VanDerWaalsContact O-CG 3.25Å; D82-K86 WeakPolarHBondContact O-CG 3.25Å |
| 87 | N | 60.2 | Low | 72.3 | Confident | 130 Ų | 130 | 97.1 Ų | 97.1 | 70% | 0.695 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 18.1 | 177.8 | -61.1 | -35.3 | 0 | 0 | 0 | 112.2 | T83 I84 I85 A89 | T83-N87 PolarHBondContact O-ND2 2.96Å; I84-N87 CarbonylContact O-C 3.47Å; I84-N87 PolarHBondContact O-N 3.16Å; I85-N87 PolarHBondContact O-N 3.37Å; N87-A89 PolarHBondContact O-N 3.39Å |
| 88 | S | 58.3 | Low | 73.7 | Confident | 89 Ų | 89 | 96.6 Ų | 96.6 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | trans | -73.6 | -13.3 | -173.7 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | I84 I85 E90 | I84-S88 WeakPolarHBondContact O-CA 3.5Å; I84-S88 PolarHBondContact O-N 3.06Å; I85-S88 VanDerWaalsContact O-CB 3.31Å; I85-S88 WeakPolarHBondContact O-CB 3.4Å; I85-S88 PolarHBondContact O-N 3.39Å; I85-S88 PolarHBondContact O-OG 2.8Å; S88-E90 PolarHBondContact O-N 2.83Å | ||
| 89 | A | 72.2 | Confident | 75.2 | Confident | 80 Ų | 80 | 94.6 Ų | 94.6 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -69.6 | 126.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | N87 | N87-A89 PolarHBondContact O-N 3.39Š|
| 90 | E | 78.1 | Confident | 76.6 | Confident | 176 Ų | 176 | 96.7 Ų | 96.7 | 82% | 0.822 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -46.5 | 130.5 | 173.5 | -64.1 | -178.3 | 162.5 | 0 | 0 | 109.6 | S88 T92 | S88-E90 PolarHBondContact O-N 2.83Å; E90-T92 PolarHBondContact O-N 2.83Å |
| 91 | P | 83.5 | Confident | 78.2 | Confident | 80 Ų | 80 | 96 Ų | 96 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 130.6 | -174.9 | 24.1 | -33.7 | 0 | 0 | 0 | 109.4 | L96 | P91-L96 HydrophobicContact CB-CD2 4.02Å; P91-L96 HydrophobicContact CB-CG 4.24Å; P91-L96 HydrophobicContact CG-CD2 4.13Å |
| 92 | T | 88.6 | Confident | 79.8 | Confident | 78 Ų | 78 | 95.6 Ų | 95.6 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -69 | 144.8 | -176.6 | -57.2 | 0 | 0 | 0 | 0 | 109 | E90 V94 E95 L96 | E90-T92 PolarHBondContact O-N 2.83Å; T92-V94 HydrophobicContact CG2-CB 4.14Å; T92-V94 HydrophobicContact CG2-CG2 4.23Å; T92-V94 PolarHBondContact O-N 2.86Å; T92-E95 PolarHBondContact N-OE2 2.85Å; T92-E95 WeakPolarHBondContact O-CA 3.48Å; T92-E95 WeakPolarHBondContact O-CB 3.48Å; T92-E95 PolarHBondContact O-N 3.38Å; T92-L96 PolarHBondContact O-N 2.83Å |
| 93 | V | 91.1 | Very high | 81.6 | Confident | 62 Ų | 62 | 94.8 Ų | 94.8 | 38% | 0.376 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -50.4 | -33.2 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | S97 W104 F107 | V93-S97 WeakPolarHBondContact O-CB 3.44Å; V93-S97 PolarHBondContact O-N 3.35Å; V93-S97 PolarHBondContact O-OG 3.42Å; V93-W104 HydrophobicContact CG1-CB 3.76Å; V93-F107 HydrophobicContact CG1-CB 4.09Å; V93-F107 HydrophobicContact CG1-CD2 4.11Å; V93-F107 HydrophobicContact CG1-CG 4.49Å; V93-F107 HydrophobicContact CG2-CB 4.5Å |
| 94 | V | 90.6 | Very high | 82.9 | Confident | 75 Ų | 75 | 98.3 Ų | 98.3 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 112 | T92 S97 K98 | T92-V94 HydrophobicContact CG2-CB 4.14Å; T92-V94 HydrophobicContact CG2-CG2 4.23Å; T92-V94 PolarHBondContact O-N 2.86Å; V94-S97 WeakPolarHBondContact CA-OG 3.26Å; V94-S97 PolarHBondContact O-N 2.95Å; V94-S97 PolarHBondContact O-OG 3.23Å; V94-K98 HydrophobicContact CG1-CD 4.36Å; V94-K98 WeakPolarHBondContact O-CG 3.35Å; V94-K98 PolarHBondContact O-N 3.15Å |
| 95 | E | 91.2 | Very high | 84.3 | Confident | 112 Ų | 112 | 99.1 Ų | 99.1 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 177.4 | -65.1 | 173.6 | 157 | 0 | 0 | 110.6 | T92 S97 K98 A99 | T92-E95 PolarHBondContact N-OE2 2.85Å; T92-E95 WeakPolarHBondContact O-CA 3.48Å; T92-E95 WeakPolarHBondContact O-CB 3.48Å; T92-E95 PolarHBondContact O-N 3.38Å; E95-S97 VanDerWaalsContact C-N 3.34Å; E95-S97 PolarHBondContact O-N 3.48Å; E95-K98 PolarHBondContact O-N 2.75Å; E95-A99 WeakPolarHBondContact O-CB 3.43Å; E95-A99 PolarHBondContact O-N 3.35Å |
| 96 | L | 91.6 | Very high | 86 | Confident | 42 Ų | 42 | 99.5 Ų | 99.5 | 22% | 0.22 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 174 | -62.2 | 175.6 | 0 | 0 | 0 | 110.9 | P91 T92 K98 A99 F100 F107 | P91-L96 HydrophobicContact CB-CD2 4.02Å; P91-L96 HydrophobicContact CB-CG 4.24Å; P91-L96 HydrophobicContact CG-CD2 4.13Å; T92-L96 PolarHBondContact O-N 2.83Å; L96-K98 VanDerWaalsContact C-N 3.28Å; L96-K98 PolarHBondContact O-N 3.22Å; L96-A99 PolarHBondContact O-N 3.49Å; L96-F100 HydrophobicContact CB-CD2 4.42Å; L96-F100 HydrophobicContact CD2-CE2 4.02Å; L96-F100 VanDerWaalsContact O-CD2 3.25Å; L96-F100 WeakPolarHBondContact O-CD2 3.22Å; L96-F100 PolarHBondContact O-N 3.3Å; L96-F107 HydrophobicContact CB-CD1 4.31Å; L96-F107 HydrophobicContact CB-CD2 4.08Å; L96-F107 HydrophobicContact CB-CE1 3.92Å; L96-F107 HydrophobicContact CB-CE2 3.66Å; L96-F107 HydrophobicContact CB-CG 4.4Å; L96-F107 HydrophobicContact CB-CZ 3.58Å; L96-F107 HydrophobicContact CD1-CD1 3.95Å; L96-F107 HydrophobicContact CD1-CE1 4.15Å; L96-F107 HydrophobicContact CD1-CG 4.26Å |
| 97 | S | 94.3 | Very high | 87.3 | Confident | 27 Ų | 27 | 94 Ų | 94 | 19% | 0.189 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 179.3 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | V93 V94 E95 G101 V102 | V93-S97 WeakPolarHBondContact O-CB 3.44Å; V93-S97 PolarHBondContact O-N 3.35Å; V93-S97 PolarHBondContact O-OG 3.42Å; V94-S97 WeakPolarHBondContact CA-OG 3.26Å; V94-S97 PolarHBondContact O-N 2.95Å; V94-S97 PolarHBondContact O-OG 3.23Å; E95-S97 VanDerWaalsContact C-N 3.34Å; E95-S97 PolarHBondContact O-N 3.48Å; S97-G101 WeakPolarHBondContact O-CA 3.42Å; S97-G101 PolarHBondContact O-N 3.24Å; S97-V102 WeakPolarHBondContact CA-O 3.49Å; S97-V102 WeakPolarHBondContact CB-O 3.17Å; S97-V102 PolarHBondContact O-N 3.45Å |
| 98 | K | 94 | Very high | 88.7 | Confident | 165 Ų | 165 | 95.9 Ų | 95.9 | 72% | 0.717 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.2 | -42.9 | 177.1 | -71.9 | 175.4 | 179.8 | 178.2 | 0 | 112.3 | V94 E95 L96 | V94-K98 HydrophobicContact CG1-CD 4.36Å; V94-K98 WeakPolarHBondContact O-CG 3.35Å; V94-K98 PolarHBondContact O-N 3.15Å; E95-K98 PolarHBondContact O-N 2.75Å; L96-K98 VanDerWaalsContact C-N 3.28Å; L96-K98 PolarHBondContact O-N 3.22Å |
| 99 | A | 93.7 | Very high | 90 | Very high | 83 Ų | 83 | 97.3 Ų | 97.3 | 69% | 0.686 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.6 | -42.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E95 L96 | E95-A99 WeakPolarHBondContact O-CB 3.43Å; E95-A99 PolarHBondContact O-N 3.35Å; L96-A99 PolarHBondContact O-N 3.49Å |
| 100 | F | 94.9 | Very high | 90.5 | Very high | 141 Ų | 141 | 102.1 Ų | 102.1 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -90 | -14.3 | -178 | -68.2 | -73.1 | 0 | 0 | 0 | 113.7 | L96 V102 F107 | L96-F100 HydrophobicContact CB-CD2 4.42Å; L96-F100 HydrophobicContact CD2-CE2 4.02Å; L96-F100 VanDerWaalsContact O-CD2 3.25Å; L96-F100 WeakPolarHBondContact O-CD2 3.22Å; L96-F100 PolarHBondContact O-N 3.3Å; F100-V102 VanDerWaalsContact C-N 3.28Å; F100-V102 HydrophobicContact CB-CB 4.32Å; F100-V102 HydrophobicContact CB-CG2 3.86Å; F100-V102 PolarHBondContact O-N 3.45Å; F100-F107 HydrophobicContact CD2-CE1 4.34Å; F100-F107 AromaticContact CD2-CZ 3.82Å; F100-F107 HydrophobicContact CD2-CZ 3.82Å; F100-F107 HydrophobicContact CG-CZ 4.49Å |
| 101 | G | 95.1 | Very high | 90.6 | Very high | 71 Ų | 71 | 104.1 Ų | 104.1 | 73% | 0.732 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 27.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S97 | S97-G101 WeakPolarHBondContact O-CA 3.42Å; S97-G101 PolarHBondContact O-N 3.24Å |
| 102 | V | 95.4 | Very high | 90.1 | Very high | 40 Ų | 40 | 105.4 Ų | 105.4 | 24% | 0.242 | 54% | 0.541 | C | S | . | . | trans | -114.5 | 141.1 | -174.9 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | S97 F100 H106 | S97-V102 WeakPolarHBondContact CA-O 3.49Å; S97-V102 WeakPolarHBondContact CB-O 3.17Å; S97-V102 PolarHBondContact O-N 3.45Å; F100-V102 VanDerWaalsContact C-N 3.28Å; F100-V102 HydrophobicContact CB-CB 4.32Å; F100-V102 HydrophobicContact CB-CG2 3.86Å; F100-V102 PolarHBondContact O-N 3.45Å; V102-H106 HydrophobicContact CG1-CB 3.29Å; V102-H106 VanDerWaalsContact CG1-CG 3.4Å | ||
| 103 | P | 95.9 | Very high | 89 | Confident | 63 Ų | 63 | 108.5 Ų | 108.5 | 41% | 0.409 | 55% | 0.55 | S | S | . | * | trans | -64.1 | 151.9 | 177.6 | 26.8 | -36.9 | 0 | 0 | 0 | 113.1 | F105 H106 | P103-F105 HydrophobicContact CB-CD1 3.87Å; P103-F105 HydrophobicContact CB-CE1 3.37Å; P103-F105 HydrophobicContact CB-CE2 4.16Å; P103-F105 HydrophobicContact CB-CG 4.46Å; P103-F105 HydrophobicContact CB-CZ 3.54Å; P103-F105 HydrophobicContact CG-CD1 4.31Å; P103-F105 HydrophobicContact CG-CD2 4.24Å; P103-F105 HydrophobicContact CG-CE1 3.62Å; P103-F105 HydrophobicContact CG-CE2 3.52Å; P103-F105 HydrophobicContact CG-CZ 3.17Å; P103-F105 PolarHBondContact O-N 3.46Å; P103-F105 VanDerWaalsContact O-N 3.09Å; P103-H106 WeakPolarHBondContact O-CB 3.14Å; P103-H106 PolarHBondContact O-N 3.47Å | ||
| 104 | W | 91.7 | Very high | 87.6 | Confident | 157 Ų | 157 | 115.2 Ų | 115.2 | 60% | 0.595 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -55.8 | -32.3 | -173.1 | 71 | -95.2 | 0 | 0 | 0 | 114.6 | V93 H106 F107 | V93-W104 HydrophobicContact CG1-CB 3.76Å; W104-H106 PolarHBondContact O-N 3.31Å; W104-F107 PolarHBondContact O-N 3.36Å; W104-F107 VanDerWaalsContact O-N 3.15Å |
| 105 | F | 91.6 | Very high | 86.5 | Confident | 126 Ų | 126 | 114.3 Ų | 114.3 | 55% | 0.553 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -68.4 | -13.4 | -178.4 | 55 | -106.1 | 0 | 0 | 0 | 113.7 | P103 F107 R108 | P103-F105 HydrophobicContact CB-CD1 3.87Å; P103-F105 HydrophobicContact CB-CE1 3.37Å; P103-F105 HydrophobicContact CB-CE2 4.16Å; P103-F105 HydrophobicContact CB-CG 4.46Å; P103-F105 HydrophobicContact CB-CZ 3.54Å; P103-F105 HydrophobicContact CG-CD1 4.31Å; P103-F105 HydrophobicContact CG-CD2 4.24Å; P103-F105 HydrophobicContact CG-CE1 3.62Å; P103-F105 HydrophobicContact CG-CE2 3.52Å; P103-F105 HydrophobicContact CG-CZ 3.17Å; P103-F105 PolarHBondContact O-N 3.46Å; P103-F105 VanDerWaalsContact O-N 3.09Å; F105-F107 VanDerWaalsContact C-N 3.27Å; F105-R108 VanDerWaalsContact O-CB 3.27Å; F105-R108 WeakPolarHBondContact O-CB 3.48Å; F105-R108 PolarHBondContact O-N 3.09Å |
| 106 | H | 91.7 | Very high | 85.5 | Confident | 116 Ų | 116 | 121 Ų | 121 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -65.9 | -33.1 | 172.7 | -168 | 93.1 | 0 | 0 | 0 | 112.1 | V102 P103 W104 R108 | V102-H106 HydrophobicContact CG1-CB 3.29Å; V102-H106 VanDerWaalsContact CG1-CG 3.4Å; P103-H106 WeakPolarHBondContact O-CB 3.14Å; P103-H106 PolarHBondContact O-N 3.47Å; W104-H106 PolarHBondContact O-N 3.31Å; H106-R108 VanDerWaalsContact C-N 3.29Å |
| 107 | F | 89.5 | Confident | 84.5 | Confident | 62 Ų | 62 | 121.5 Ų | 121.5 | 27% | 0.272 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -86.6 | 0.5 | 176.9 | -56.2 | -72.6 | 0 | 0 | 0 | 112.9 | V93 L96 F100 W104 F105 | V93-F107 HydrophobicContact CG1-CB 4.09Å; V93-F107 HydrophobicContact CG1-CD2 4.11Å; V93-F107 HydrophobicContact CG1-CG 4.49Å; V93-F107 HydrophobicContact CG2-CB 4.5Å; L96-F107 HydrophobicContact CB-CD1 4.31Å; L96-F107 HydrophobicContact CB-CD2 4.08Å; L96-F107 HydrophobicContact CB-CE1 3.92Å; L96-F107 HydrophobicContact CB-CE2 3.66Å; L96-F107 HydrophobicContact CB-CG 4.4Å; L96-F107 HydrophobicContact CB-CZ 3.58Å; L96-F107 HydrophobicContact CD1-CD1 3.95Å; L96-F107 HydrophobicContact CD1-CE1 4.15Å; L96-F107 HydrophobicContact CD1-CG 4.26Å; F100-F107 HydrophobicContact CD2-CE1 4.34Å; F100-F107 AromaticContact CD2-CZ 3.82Å; F100-F107 HydrophobicContact CD2-CZ 3.82Å; F100-F107 HydrophobicContact CG-CZ 4.49Å; W104-F107 PolarHBondContact O-N 3.36Å; W104-F107 VanDerWaalsContact O-N 3.15Å; F105-F107 VanDerWaalsContact C-N 3.27Å |
| 108 | R | 88.7 | Confident | 83.5 | Confident | 169 Ų | 169 | 124.8 Ų | 124.8 | 64% | 0.638 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -67.4 | 127.8 | 174.9 | -170.9 | 177 | 179.2 | 176.8 | 1.1 | 108.7 | F105 H106 K110 | F105-R108 VanDerWaalsContact O-CB 3.27Å; F105-R108 WeakPolarHBondContact O-CB 3.48Å; F105-R108 PolarHBondContact O-N 3.09Å; H106-R108 VanDerWaalsContact C-N 3.29Å; R108-K110 PolarHBondContact O-N 3.16Å |
| 109 | P | 86 | Confident | 82.5 | Confident | 119 Ų | 119 | 124.3 Ų | 124.3 | 77% | 0.773 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 127.4 | 178.3 | 23.5 | -33.2 | 0 | 0 | 0 | 109.6 | ||
| 110 | K | 82.3 | Confident | 81.7 | Confident | 181 Ų | 181 | 126.8 Ų | 126.8 | 79% | 0.787 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 141.5 | 176.6 | -68.4 | -178.8 | -179.2 | 175.7 | 0 | 108.9 | R108 S112 | R108-K110 PolarHBondContact O-N 3.16Å; K110-S112 PolarHBondContact O-N 3.27Å |
| 111 | R | 81.6 | Confident | 80.9 | Confident | 217 Ų | 217 | 129.7 Ų | 129.7 | 82% | 0.819 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 131.6 | 164.7 | -172.1 | 177.8 | -171 | 175.5 | 3.5 | 107.2 | Q113 | R111-Q113 PolarHBondContact O-N 3.03Š|
| 112 | S | 72.2 | Confident | 80.2 | Confident | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | trans | -54.3 | 103.3 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 108 | K110 K114 | K110-S112 PolarHBondContact O-N 3.27Å; S112-K114 PolarHBondContact O-N 3.44Å | ||
| 113 | Q | 66.7 | Low | 79.5 | Confident | 143 Ų | 143 | 131 Ų | 131 | 67% | 0.668 | 62% | 0.617 | S | S | * | * | trans | -78.8 | 118.2 | 174.2 | -68.9 | -64.9 | -23.8 | 0 | 0 | 105.3 | R111 S115 | R111-Q113 PolarHBondContact O-N 3.03Å; Q113-S115 VanDerWaalsContact C-N 3.26Å; Q113-S115 PolarHBondContact O-N 2.74Å | ||
| 114 | K | 61.6 | Low | 78.7 | Confident | 203 Ų | 203 | 133.3 Ų | 133.3 | 88% | 0.883 | 63% | 0.632 | S | S | * | * | trans | -63.3 | 98 | 165.2 | -69.6 | -177 | 177.6 | -176.5 | 0 | 106 | S112 R116 | S112-K114 PolarHBondContact O-N 3.44Å; K114-R116 PolarHBondContact O-N 3.37Å | ||
| 115 | S | 67.4 | Low | 78.2 | Confident | 56 Ų | 56 | 134.2 Ų | 134.2 | 39% | 0.392 | 64% | 0.64 | S | S | . | * | trans | -59.4 | 138 | 170 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | Q113 S117 F120 | Q113-S115 VanDerWaalsContact C-N 3.26Å; Q113-S115 PolarHBondContact O-N 2.74Å; S115-S117 PolarHBondContact O-N 3.07Å; S115-S117 PolarHBondContact OG-N 2.9Å; S115-F120 VanDerWaalsContact CB-CG 3.42Å; S115-F120 WeakPolarHBondContact OG-CB 3.31Å | ||
| 116 | R | 70.3 | Confident | 77.8 | Confident | 252 Ų | 252 | 135.1 Ų | 135.1 | 95% | 0.951 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -64.4 | -20.2 | 175.9 | -166.8 | 173.5 | 179.3 | 147.6 | -0.5 | 111.6 | K114 | K114-R116 PolarHBondContact O-N 3.37Š|
| 117 | S | 70.9 | Confident | 77.3 | Confident | 54 Ų | 54 | 141 Ų | 141 | 38% | 0.378 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -83.4 | 124.2 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 111 | S115 Y119 F120 | S115-S117 PolarHBondContact O-N 3.07Å; S115-S117 PolarHBondContact OG-N 2.9Å; S117-Y119 PolarHBondContact O-N 3.19Å; S117-Y119 VanDerWaalsContact O-N 3.15Å; S117-Y119 PolarHBondContact OG-N 3.15Å; S117-F120 WeakPolarHBondContact O-CB 3.43Å; S117-F120 PolarHBondContact O-N 2.77Å; S117-F120 VanDerWaalsContact O-N 3.14Å |
| 118 | P | 71.5 | Confident | 76.5 | Confident | 96 Ų | 96 | 144.6 Ų | 144.6 | 62% | 0.623 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -16.2 | 171.4 | 26 | -32.1 | 0 | 0 | 0 | 112.7 | W121 | P118-W121 PolarHBondContact O-NE1 3.4Š|
| 119 | Y | 74.3 | Confident | 75.3 | Confident | 154 Ų | 154 | 140 Ų | 140 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 16.9 | 177.8 | -55.8 | -69.2 | 0 | 0 | 0 | 113.3 | S117 W121 A122 | S117-Y119 PolarHBondContact O-N 3.19Å; S117-Y119 VanDerWaalsContact O-N 3.15Å; S117-Y119 PolarHBondContact OG-N 3.15Å; Y119-W121 PolarHBondContact O-N 3.47Å; Y119-A122 CarbonylContact O-C 3.58Å; Y119-A122 PolarHBondContact O-N 3.4Å; Y119-A122 VanDerWaalsContact O-O 3.12Å |
| 120 | F | 77.2 | Confident | 73.7 | Confident | 136 Ų | 136 | 144.6 Ų | 144.6 | 60% | 0.596 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -33.9 | 178.1 | 150.2 | -99.1 | 0 | 0 | 0 | 114.2 | S115 S117 A122 | S115-F120 VanDerWaalsContact CB-CG 3.42Å; S115-F120 WeakPolarHBondContact OG-CB 3.31Å; S117-F120 WeakPolarHBondContact O-CB 3.43Å; S117-F120 PolarHBondContact O-N 2.77Å; S117-F120 VanDerWaalsContact O-N 3.14Å; F120-A122 VanDerWaalsContact C-N 3.3Å |
| 121 | W | 77.4 | Confident | 73.3 | Confident | 202 Ų | 202 | 142.8 Ų | 142.8 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -14.2 | 178.5 | 59.1 | -90.2 | 0 | 0 | 0 | 113 | P118 Y119 | P118-W121 PolarHBondContact O-NE1 3.4Å; Y119-W121 PolarHBondContact O-N 3.47Å |
| 122 | A | 80.2 | Confident | 72.9 | Confident | 41 Ų | 41 | 138.9 Ų | 138.9 | 34% | 0.339 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -142.1 | 72.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y119 F120 | Y119-A122 CarbonylContact O-C 3.58Å; Y119-A122 PolarHBondContact O-N 3.4Å; Y119-A122 VanDerWaalsContact O-O 3.12Å; F120-A122 VanDerWaalsContact C-N 3.3Å |
| 123 | P | 79.8 | Confident | 72.9 | Confident | 97 Ų | 97 | 140.7 Ų | 140.7 | 63% | 0.63 | 68% | 0.682 | S | S | * | * | trans | -57.1 | 140.9 | 174.9 | 25.4 | -33 | 0 | 0 | 0 | 109 | K125 | P123-K125 PolarHBondContact O-N 3.03Š| ||
| 124 | P | 79 | Confident | 73.3 | Confident | 112 Ų | 112 | 140.5 Ų | 140.5 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -51.2 | 131.1 | 175.7 | -24.3 | 32.5 | 0 | 0 | 0 | 110 | E126 | P124-E126 PolarHBondContact O-N 3.25Š| ||
| 125 | K | 82.7 | Confident | 74 | Confident | 176 Ų | 176 | 136.6 Ų | 136.6 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | trans | -66.3 | 104.3 | 179 | -173.6 | 179.4 | -178.2 | 179.3 | 0 | 108.9 | P123 | P123-K125 PolarHBondContact O-N 3.03Š| ||
| 126 | E | 83.6 | Confident | 74.4 | Confident | 144 Ų | 144 | 142 Ų | 142 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | trans | -71.8 | 146.2 | 171.6 | -66.3 | -172.9 | -179.1 | 0 | 0 | 110.1 | P124 N128 S129 | P124-E126 PolarHBondContact O-N 3.25Å; E126-N128 PolarHBondContact O-N 2.93Å; E126-S129 PolarHBondContact O-N 3.4Å; E126-S129 PolarHBondContact O-OG 3.47Å | ||
| 127 | R | 79.4 | Confident | 74.7 | Confident | 239 Ų | 239 | 134.1 Ų | 134.1 | 90% | 0.902 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -23.3 | -178.4 | -177.8 | 174.8 | 135.1 | 145.3 | -1.6 | 113.2 | ||
| 128 | N | 73 | Confident | 75 | Confident | 139 Ų | 139 | 140.3 Ų | 140.3 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 5.5 | -175.2 | -61.3 | -12.5 | 0 | 0 | 0 | 113.5 | E126 L130 | E126-N128 PolarHBondContact O-N 2.93Å; N128-L130 PolarHBondContact O-N 2.93Å; N128-L130 VanDerWaalsContact O-N 3.14Å |
| 129 | S | 63.8 | Low | 75.3 | Confident | 71 Ų | 71 | 144 Ų | 144 | 50% | 0.497 | 70% | 0.698 | S | S | . | * | trans | -86.8 | 37.4 | -173 | 78.4 | 0 | 0 | 0 | 0 | 114.2 | E126 | E126-S129 PolarHBondContact O-N 3.4Å; E126-S129 PolarHBondContact O-OG 3.47Å | ||
| 130 | L | 53.3 | Low | 75.4 | Confident | 217 Ų | 217 | 143.1 Ų | 143.1 | 100% | 1.136 | 71% | 0.707 | S | S | * | * | trans | -118.1 | 0 | 174.7 | -70.9 | 177.2 | 0 | 0 | 0 | 110.6 | N128 | N128-L130 PolarHBondContact O-N 2.93Å; N128-L130 VanDerWaalsContact O-N 3.14Å |
Retrieved 130 of 130 residues in 80.1 ms
(Link to these results)