| 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 | 46.7 | Very low | 48.8 | Very low | 238 Ų | 238 | 160.3 Ų | 160.3 | 100% | 1.172 | 83% | 0.825 | S | S | * | * | 0 | 147.3 | 0 | -72.5 | -74.9 | 169.4 | 0 | 0 | 108.3 | |||||
| 2 | S | 46.1 | Very low | 49 | Very low | 118 Ų | 118 | 160.6 Ų | 160.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 102.3 | 53.1 | 174.3 | -48.3 | 0 | 0 | 0 | 0 | 117.7 | S4 | S2-S4 PolarHBondContact O-N 3.49Š| ||
| 3 | S | 49.3 | Very low | 48.7 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -80.7 | 93.8 | 157.1 | -58.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | S | 50.4 | Low | 48.8 | Very low | 104 Ų | 104 | 158.9 Ų | 158.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -148.7 | 2.8 | 174.8 | -51.7 | 0 | 0 | 0 | 0 | 116.8 | S2 | S2-S4 PolarHBondContact O-N 3.49Š| ||
| 5 | K | 50.5 | Low | 48.7 | Very low | 211 Ų | 211 | 155.3 Ų | 155.3 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -85.5 | -6.5 | -177.3 | -78.5 | -179.2 | 175.3 | 173.9 | 0 | 115.6 | ||
| 6 | K | 51.6 | Low | 48.7 | Very low | 194 Ų | 194 | 155.4 Ų | 155.4 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -93.2 | -7.1 | -165.7 | -153.7 | 161.4 | -174.2 | 173.3 | 0 | 115.8 | ||
| 7 | S | 51.5 | Low | 48.9 | Very low | 95 Ų | 95 | 151.8 Ų | 151.8 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -93.8 | -18.4 | -166.3 | -49.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 8 | K | 51 | Low | 48.9 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -84.9 | -28 | -170.3 | -164.1 | 170.1 | -176.6 | 175.4 | 0 | 114.7 | ||
| 9 | E | 44.3 | Very low | 48.7 | Very low | 159 Ų | 159 | 150.7 Ų | 150.7 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -71.2 | -35.6 | 179.4 | -80.7 | -178.6 | 90.4 | 0 | 0 | 112.5 | E11 K12 | E9-E11 VanDerWaalsContact C-N 3.29Å; E9-E11 PolarHBondContact O-N 3.3Å; E9-K12 PolarHBondContact O-N 3.3Å |
| 10 | K | 48.3 | Very low | 48.7 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -69.1 | -25.2 | -174 | -151.8 | 176 | -174.3 | -178.9 | 0 | 113.7 | ||
| 11 | E | 47.6 | Very low | 48.5 | Very low | 160 Ų | 160 | 150.7 Ų | 150.7 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -79.1 | -33.9 | 179 | -140.3 | 179.2 | 109.8 | 0 | 0 | 111.9 | E9 K14 | E9-E11 VanDerWaalsContact C-N 3.29Å; E9-E11 PolarHBondContact O-N 3.3Å; E11-K14 PolarHBondContact O-N 3.38Å |
| 12 | K | 50.8 | Low | 48.7 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -74.6 | -29.4 | -176.7 | -153.5 | 177.6 | -175.2 | -177.7 | 0 | 113.3 | E9 | E9-K12 PolarHBondContact O-N 3.3Å |
| 13 | E | 45.3 | Very low | 48.7 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 62% | 0.621 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.1 | -37.7 | 173.8 | -101.9 | -173.4 | 92.6 | 0 | 0 | 112.5 | D15 K16 I17 | E13-D15 VanDerWaalsContact C-N 3.28Å; E13-D15 PolarHBondContact O-N 3.4Å; E13-K16 PolarHBondContact O-N 3.45Å; E13-I17 WeakPolarHBondContact O-CD1 3.4Å; E13-I17 WeakPolarHBondContact O-CG1 3.34Å; E13-I17 PolarHBondContact O-N 3.3Å |
| 14 | K | 50.4 | Low | 48.7 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.6 | -30.2 | -175.9 | -147.5 | 179 | -176.5 | -173.3 | 0 | 112.4 | E11 K18 | E11-K14 PolarHBondContact O-N 3.38Å; K14-K18 PolarHBondContact O-N 3.31Å |
| 15 | D | 46.2 | Very low | 48.7 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 56% | 0.556 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.2 | -43.2 | 177.2 | -156.7 | -110.4 | 0 | 0 | 0 | 112.1 | E13 I17 K18 E19 | E13-D15 VanDerWaalsContact C-N 3.28Å; E13-D15 PolarHBondContact O-N 3.4Å; D15-I17 VanDerWaalsContact C-N 3.3Å; D15-I17 PolarHBondContact O-N 3.41Å; D15-K18 PolarHBondContact O-N 3.35Å; D15-E19 PolarHBondContact O-N 3.41Å; D15-E19 VanDerWaalsContact O-N 3.14Å |
| 16 | K | 49.3 | Very low | 48.7 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 68% | 0.683 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.3 | -35.8 | 175.8 | -90.4 | -173.8 | 177.8 | -172.7 | 0 | 113.8 | E13 K20 | E13-K16 PolarHBondContact O-N 3.45Å; K16-K20 WeakPolarHBondContact O-CB 3.46Å; K16-K20 PolarHBondContact O-N 3.19Å |
| 17 | I | 52.1 | Low | 48.7 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 48% | 0.482 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.2 | -37.7 | -179.9 | -62.9 | 161.5 | 0 | 0 | 0 | 110 | E13 D15 K20 E21 | E13-I17 WeakPolarHBondContact O-CD1 3.4Å; E13-I17 WeakPolarHBondContact O-CG1 3.34Å; E13-I17 PolarHBondContact O-N 3.3Å; D15-I17 VanDerWaalsContact C-N 3.3Å; D15-I17 PolarHBondContact O-N 3.41Å; I17-K20 PolarHBondContact O-N 3.32Å; I17-E21 PolarHBondContact O-N 3.14Å; I17-E21 VanDerWaalsContact O-N 3.14Å |
| 18 | K | 49.1 | Very low | 48.6 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 70% | 0.696 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.8 | -34.5 | -178.2 | -147.7 | 177.3 | -173.1 | -177.6 | 0 | 113.1 | K14 D15 K22 | K14-K18 PolarHBondContact O-N 3.31Å; D15-K18 PolarHBondContact O-N 3.35Å; K18-K22 PolarHBondContact O-N 3.44Å |
| 19 | E | 45.4 | Very low | 48.7 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 58% | 0.575 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.5 | -39.9 | 171.3 | -79 | -161.7 | 114.1 | 0 | 0 | 112.1 | D15 E21 K22 D23 | D15-E19 PolarHBondContact O-N 3.41Å; D15-E19 VanDerWaalsContact O-N 3.14Å; E19-E21 PolarHBondContact O-N 3.14Å; E19-K22 PolarHBondContact O-N 3.48Å; E19-D23 PolarHBondContact O-N 3.17Å; E19-D23 VanDerWaalsContact O-N 3.17Å |
| 20 | K | 48.9 | Very low | 49.3 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.2 | -34 | -177.9 | -153.4 | 176.3 | -175.7 | -176 | 0 | 113.2 | K16 I17 S24 | K16-K20 WeakPolarHBondContact O-CB 3.46Å; K16-K20 PolarHBondContact O-N 3.19Å; I17-K20 PolarHBondContact O-N 3.32Å; K20-S24 PolarHBondContact O-N 3.13Å |
| 21 | E | 43.9 | Very low | 49.9 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 66% | 0.664 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.8 | -28.9 | 174.7 | -75.6 | -166.1 | 97 | 0 | 0 | 113.5 | I17 E19 | I17-E21 PolarHBondContact O-N 3.14Å; I17-E21 VanDerWaalsContact O-N 3.14Å; E19-E21 PolarHBondContact O-N 3.14Å |
| 22 | K | 50.1 | Low | 50.8 | Low | 173 Ų | 173 | 132.2 Ų | 132.2 | 75% | 0.752 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.5 | -35.2 | 179.2 | -154.1 | 177.2 | -177.1 | -173.7 | 0 | 111.7 | K18 E19 | K18-K22 PolarHBondContact O-N 3.44Å; E19-K22 PolarHBondContact O-N 3.48Å |
| 23 | D | 46.7 | Very low | 51.9 | Low | 48 Ų | 48 | 129.1 Ų | 129.1 | 26% | 0.257 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.1 | -42.7 | 173.2 | -177.9 | -98.6 | 0 | 0 | 0 | 112.3 | E19 K25 D26 K27 | E19-D23 PolarHBondContact O-N 3.17Å; E19-D23 VanDerWaalsContact O-N 3.17Å; D23-K25 VanDerWaalsContact C-N 3.28Å; D23-K25 PolarHBondContact O-N 3.25Å; D23-D26 PolarHBondContact O-N 3.31Å; D23-K27 PolarHBondContact O-N 2.94Å |
| 24 | S | 48.8 | Very low | 53.5 | Low | 78 Ų | 78 | 125.7 Ų | 125.7 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.4 | -29.4 | -179.5 | -86.1 | 0 | 0 | 0 | 0 | 114.3 | K20 | K20-S24 PolarHBondContact O-N 3.13Å |
| 25 | K | 50.9 | Low | 55.1 | Low | 180 Ų | 180 | 125.3 Ų | 125.3 | 78% | 0.783 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83.2 | -23.7 | -178.3 | -164.3 | 170.6 | -178 | 174.6 | 0 | 113.4 | D23 | D23-K25 VanDerWaalsContact C-N 3.28Å; D23-K25 PolarHBondContact O-N 3.25Å |
| 26 | D | 50.2 | Low | 56.8 | Low | 85 Ų | 85 | 123.7 Ų | 123.7 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -78.9 | -33.9 | 176.4 | -156.5 | -98.5 | 0 | 0 | 0 | 111.4 | D23 E28 K29 | D23-D26 PolarHBondContact O-N 3.31Å; D26-E28 VanDerWaalsContact C-N 3.28Å; D26-E28 PolarHBondContact O-N 3.33Å; D26-E28 VanDerWaalsContact O-N 3.16Å; D26-K29 PolarHBondContact O-N 3.26Å |
| 27 | K | 51.5 | Low | 58.3 | Low | 105 Ų | 105 | 121.2 Ų | 121.2 | 46% | 0.457 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -25.8 | -177.4 | -145.1 | 169.1 | -168.2 | 162.8 | 0 | 115.7 | D23 | D23-K27 PolarHBondContact O-N 2.94Š|
| 28 | E | 50.1 | Low | 59.8 | Low | 179 Ų | 179 | 119.2 Ų | 119.2 | 84% | 0.836 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -22 | -178.6 | -114.7 | -169.9 | 103.9 | 0 | 0 | 113.5 | D26 | D26-E28 VanDerWaalsContact C-N 3.28Å; D26-E28 PolarHBondContact O-N 3.33Å; D26-E28 VanDerWaalsContact O-N 3.16Å |
| 29 | K | 52.8 | Low | 61.4 | Low | 194 Ų | 194 | 114.5 Ų | 114.5 | 84% | 0.843 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -14.9 | -172.2 | -149.1 | -179 | -179.9 | -169.6 | 0 | 113.9 | D26 | D26-K29 PolarHBondContact O-N 3.26Š|
| 30 | D | 56.2 | Low | 63 | Low | 38 Ų | 38 | 110.1 Ų | 110.1 | 20% | 0.203 | 55% | 0.553 | C | S | . | * | trans | -106.5 | 27.4 | -169 | -138.7 | -48 | 0 | 0 | 0 | 114.6 | K32 F39 S41 Y63 | D30-K32 PolarHBondContact O-N 2.89Å; D30-F39 VanDerWaalsContact O-O 3.08Å; D30-S41 WeakPolarHBondContact CB-OG 3.4Å; D30-Y63 HydrophobicContact CB-CE1 4.23Å; D30-Y63 WeakPolarHBondContact OD1-CE1 3.1Å; D30-Y63 PolarHBondContact OD2-OH 3.11Å | ||
| 31 | K | 62 | Low | 64.3 | Low | 156 Ų | 156 | 102.9 Ų | 102.9 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | trans | -73.6 | 85.3 | 162.9 | -77.8 | -168.6 | -178.7 | -169.4 | 0 | 108.8 | T38 F39 | K31-T38 HydrophobicContact CG-CG2 4.49Å; K31-F39 WeakPolarHBondContact CA-O 3.29Å | ||
| 32 | K | 67.1 | Low | 65.8 | Low | 138 Ų | 138 | 98.8 Ų | 98.8 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.3 | 176 | -146.4 | 178.7 | -172.5 | -173.9 | 0 | 109.4 | D30 V34 F39 | D30-K32 PolarHBondContact O-N 2.89Å; K32-V34 HydrophobicContact CG-CG2 4.38Å; K32-V34 PolarHBondContact O-N 2.89Å; K32-F39 PolarHBondContact N-O 3.16Å; K32-F39 PolarHBondContact O-N 3.21Å |
| 33 | T | 73.2 | Confident | 67 | Low | 99 Ų | 99 | 92.8 Ų | 92.8 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 116.5 | 172.6 | -43.9 | 0 | 0 | 0 | 0 | 108.7 | H37 | T33-H37 CarbonylContact C-O 3.55Å; T33-H37 WeakPolarHBondContact CA-O 3.35Å |
| 34 | V | 79.1 | Confident | 68.2 | Low | 62 Ų | 62 | 92.1 Ų | 92.1 | 38% | 0.376 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124 | 177.9 | 178 | 0 | 0 | 0 | 0 | 108.2 | K32 G36 H37 F39 | K32-V34 HydrophobicContact CG-CG2 4.38Å; K32-V34 PolarHBondContact O-N 2.89Å; V34-G36 PolarHBondContact O-N 3.47Å; V34-G36 VanDerWaalsContact O-N 3.11Å; V34-H37 PolarHBondContact N-O 2.74Å; V34-H37 PolarHBondContact O-N 3.1Å; V34-F39 HydrophobicContact CB-CD2 3.89Å; V34-F39 HydrophobicContact CB-CE2 3.78Å; V34-F39 HydrophobicContact CG1-CE2 4.47Å; V34-F39 HydrophobicContact CG2-CD2 4.23Å |
| 35 | N | 82.6 | Confident | 69.1 | Low | 156 Ų | 156 | 94.8 Ų | 94.8 | 83% | 0.834 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 35 | 179 | -69.4 | 45.5 | 0 | 0 | 0 | 114.1 | H37 | N35-H37 VanDerWaalsContact C-N 3.27Å; N35-H37 PolarHBondContact O-N 3.41Å |
| 36 | G | 83.1 | Confident | 69.9 | Low | 71 Ų | 71 | 88.2 Ų | 88.2 | 73% | 0.732 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -3.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V34 | V34-G36 PolarHBondContact O-N 3.47Å; V34-G36 VanDerWaalsContact O-N 3.11Å |
| 37 | H | 81.5 | Confident | 70.7 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 139.6 | 171.3 | -68.4 | -93.7 | 0 | 0 | 0 | 110.7 | T33 V34 N35 F39 C65 | T33-H37 CarbonylContact C-O 3.55Å; T33-H37 WeakPolarHBondContact CA-O 3.35Å; V34-H37 PolarHBondContact N-O 2.74Å; V34-H37 PolarHBondContact O-N 3.1Å; N35-H37 VanDerWaalsContact C-N 3.27Å; N35-H37 PolarHBondContact O-N 3.41Å; H37-F39 HydrophobicContact CB-CD2 4.34Å; H37-F39 HydrophobicContact CB-CE2 3.69Å; H37-F39 HydrophobicContact CB-CZ 4.25Å; H37-C65 HydrophobicContact CB-CB 4.38Å |
| 38 | T | 82.2 | Confident | 71.8 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115.5 | 174.6 | -57.6 | 0 | 0 | 0 | 0 | 108.3 | K31 C65 A66 | K31-T38 HydrophobicContact CG-CG2 4.49Å; T38-C65 WeakPolarHBondContact O-CA 3.09Å; T38-A66 PolarHBondContact O-N 2.99Å; T38-A66 VanDerWaalsContact O-N 3.14Å |
| 39 | F | 82.6 | Confident | 73.2 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 26% | 0.263 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 143.9 | 171.8 | -68.3 | -93.9 | 0 | 0 | 0 | 109.3 | D30 K31 K32 V34 H37 T64 C65 | D30-F39 VanDerWaalsContact O-O 3.08Å; K31-F39 WeakPolarHBondContact CA-O 3.29Å; K32-F39 PolarHBondContact N-O 3.16Å; K32-F39 PolarHBondContact O-N 3.21Å; V34-F39 HydrophobicContact CB-CD2 3.89Å; V34-F39 HydrophobicContact CB-CE2 3.78Å; V34-F39 HydrophobicContact CG1-CE2 4.47Å; V34-F39 HydrophobicContact CG2-CD2 4.23Å; H37-F39 HydrophobicContact CB-CD2 4.34Å; H37-F39 HydrophobicContact CB-CE2 3.69Å; H37-F39 HydrophobicContact CB-CZ 4.25Å; F39-T64 WeakPolarHBondContact CA-O 3.34Å; F39-C65 HydrophobicContact CD1-CB 4.12Å; F39-C65 HydrophobicContact CE1-CB 3.78Å; F39-C65 HydrophobicContact CZ-CB 4.04Å |
| 40 | S | 78.7 | Confident | 74.5 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 22% | 0.224 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.1 | 174.6 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | I42 T64 | S40-I42 PolarHBondContact O-N 3.14Å; S40-T64 PolarHBondContact N-O 3.5Å; S40-T64 PolarHBondContact O-N 2.85Å; S40-T64 VanDerWaalsContact O-N 3.1Å |
| 41 | S | 77.4 | Confident | 75.5 | Confident | 7 Ų | 7 | 80.4 Ų | 80.4 | 5% | 0.049 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 127.1 | 171.5 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | D30 A62 Y63 | D30-S41 WeakPolarHBondContact CB-OG 3.4Å; S41-A62 CarbonylContact C-O 3.54Å; S41-A62 WeakPolarHBondContact CA-O 3.44Å; S41-Y63 WeakPolarHBondContact OG-CE1 3.01Å |
| 42 | I | 75.5 | Confident | 76.5 | Confident | 56 Ų | 56 | 81.6 Ų | 81.6 | 29% | 0.287 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.6 | 170.6 | 57.9 | 162.3 | 0 | 0 | 0 | 109.1 | S40 V44 A62 T64 | S40-I42 PolarHBondContact O-N 3.14Å; I42-V44 PolarHBondContact O-N 2.99Å; I42-A62 HydrophobicContact CG1-CB 4.14Å; I42-A62 VanDerWaalsContact CG1-O 3.29Å; I42-A62 WeakPolarHBondContact CG1-O 3.35Å; I42-A62 PolarHBondContact N-O 2.89Å; I42-A62 PolarHBondContact O-N 3.41Å; I42-T64 HydrophobicContact CD1-CG2 4.01Å; I42-T64 HydrophobicContact CG1-CG2 4.2Å; I42-T64 HydrophobicContact CG2-CG2 3.64Å |
| 43 | P | 75 | Confident | 77.4 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 31% | 0.312 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.5 | 170.7 | 26.6 | -32.9 | 0 | 0 | 0 | 109.5 | V45 | P43-V45 PolarHBondContact O-N 2.95Å; P43-V45 VanDerWaalsContact O-N 3.13Å |
| 44 | V | 72.7 | Confident | 77.8 | Confident | 34 Ų | 34 | 81.2 Ų | 81.2 | 21% | 0.206 | 49% | 0.49 | C | S | . | . | trans | -77.8 | 99.1 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | I42 G46 I48 F57 K60 A62 | I42-V44 PolarHBondContact O-N 2.99Å; V44-G46 WeakPolarHBondContact CG1-O 3.43Å; V44-I48 HydrophobicContact CG1-CB 4.03Å; V44-I48 HydrophobicContact CG1-CG2 3.93Å; V44-I48 HydrophobicContact CG2-CG2 4.48Å; V44-F57 HydrophobicContact CG1-CB 4.45Å; V44-F57 HydrophobicContact CG2-CB 4.25Å; V44-K60 PolarHBondContact N-O 2.67Å; V44-A62 HydrophobicContact CG2-CB 3.43Å; V44-A62 VanDerWaalsContact CG2-CB 3.43Å | ||
| 45 | V | 66.8 | Low | 78 | Confident | 134 Ų | 134 | 84.8 Ų | 84.8 | 81% | 0.812 | 50% | 0.5 | S | S | * | . | trans | -98.3 | 89.2 | 174.6 | -87.5 | 0 | 0 | 0 | 0 | 110.5 | P43 | P43-V45 PolarHBondContact O-N 2.95Å; P43-V45 VanDerWaalsContact O-N 3.13Å | ||
| 46 | G | 67.4 | Low | 77.7 | Confident | 42 Ų | 42 | 81.8 Ų | 81.8 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | S | Bend | trans | 107.2 | 177.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | V44 I48 | V44-G46 WeakPolarHBondContact CG1-O 3.43Å; G46-I48 PolarHBondContact O-N 3.29Å |
| 47 | P | 67.8 | Low | 77.4 | Confident | 147 Ų | 147 | 81.8 Ų | 81.8 | 96% | 0.955 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -70.5 | 96.8 | -179.9 | 28.7 | -32.6 | 0 | 0 | 0 | 109.8 | ||
| 48 | I | 74.8 | Confident | 77.1 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 34% | 0.338 | 49% | 0.485 | S | S | . | . | trans | -105.9 | 142.3 | 178.7 | -116.5 | 172.2 | 0 | 0 | 0 | 108.6 | V44 G46 P56 F57 | V44-I48 HydrophobicContact CG1-CB 4.03Å; V44-I48 HydrophobicContact CG1-CG2 3.93Å; V44-I48 HydrophobicContact CG2-CG2 4.48Å; G46-I48 PolarHBondContact O-N 3.29Å; I48-P56 WeakPolarHBondContact O-CA 3.35Å; I48-F57 HydrophobicContact CB-CD2 4.33Å; I48-F57 HydrophobicContact CG2-CB 4Å; I48-F57 HydrophobicContact CG2-CD2 3.01Å; I48-F57 HydrophobicContact CG2-CE2 3.41Å; I48-F57 VanDerWaalsContact CG2-CE2 3.41Å; I48-F57 HydrophobicContact CG2-CG 3.63Å; I48-F57 HydrophobicContact CG2-CZ 4.35Å; I48-F57 WeakPolarHBondContact O-CD2 3.36Å; I48-F57 PolarHBondContact O-N 2.94Å | ||
| 49 | S | 79.7 | Confident | 76.5 | Confident | 79 Ų | 79 | 86 Ų | 86 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | B | Isolated β-bridge | trans | -123.2 | 139.5 | 179.2 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | S51 K55 | S49-S51 PolarHBondContact O-N 2.92Å; S49-K55 CarbonylContact C-O 3.54Å; S49-K55 WeakPolarHBondContact CA-O 3.42Å |
| 50 | C | 79 | Confident | 75.7 | Confident | 33 Ų | 33 | 90.5 Ų | 90.5 | 22% | 0.223 | 52% | 0.518 | C | S | . | . | trans | -65.9 | 126.5 | -179.7 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | Q52 C53 M54 K55 F57 | C50-Q52 PolarHBondContact O-N 3.24Å; C50-Q52 PolarHBondContact SG-N 3.43Å; C50-Q52 VanDerWaalsContact SG-N 3.45Å; C50-C53 VanDerWaalsContact CB-SG 3.54Å; C50-M54 WeakPolarHBondContact O-CA 3.48Å; C50-M54 PolarHBondContact O-N 2.81Å; C50-K55 PolarHBondContact N-O 3.2Å; C50-F57 VanDerWaalsContact CA-CE2 3.49Å; C50-F57 HydrophobicContact CB-CE2 3.92Å; C50-F57 HydrophobicContact CB-CZ 4.14Å; C50-F57 VanDerWaalsContact N-CE2 3.32Å | ||
| 51 | S | 78 | Confident | 75.4 | Confident | 112 Ų | 112 | 92.2 Ų | 92.2 | 78% | 0.783 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.2 | 179.6 | -174.2 | 0 | 0 | 0 | 0 | 113.8 | S49 | S49-S51 PolarHBondContact O-N 2.92Š|
| 52 | Q | 83.1 | Confident | 75.4 | Confident | 180 Ų | 180 | 92 Ų | 92 | 84% | 0.841 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -40.2 | -176.8 | -66.2 | -63.7 | -27.7 | 0 | 0 | 112.7 | C50 | C50-Q52 PolarHBondContact O-N 3.24Å; C50-Q52 PolarHBondContact SG-N 3.43Å; C50-Q52 VanDerWaalsContact SG-N 3.45Å |
| 53 | C | 85.6 | Confident | 75.6 | Confident | 69 Ų | 69 | 95.1 Ų | 95.1 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -0 | -175.8 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | C50 K55 | C50-C53 VanDerWaalsContact CB-SG 3.54Å; C53-K55 HydrophobicContact CB-CG 4.35Å; C53-K55 PolarHBondContact O-N 3.45Å |
| 54 | M | 81.4 | Confident | 75.7 | Confident | 160 Ų | 160 | 95.9 Ų | 95.9 | 79% | 0.788 | 54% | 0.536 | S | S | * | . | trans | 52.5 | 18 | -176.3 | -60.6 | -139.7 | -65.1 | 0 | 0 | 115 | C50 | C50-M54 WeakPolarHBondContact O-CA 3.48Å; C50-M54 PolarHBondContact O-N 2.81Å | ||
| 55 | K | 82.9 | Confident | 76.1 | Confident | 137 Ų | 137 | 97.4 Ų | 97.4 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 141.4 | 176.6 | -62.1 | -179 | -159.5 | -71 | 0 | 109.9 | S49 C50 C53 | S49-K55 CarbonylContact C-O 3.54Å; S49-K55 WeakPolarHBondContact CA-O 3.42Å; C50-K55 PolarHBondContact N-O 3.2Å; C53-K55 HydrophobicContact CB-CG 4.35Å; C53-K55 PolarHBondContact O-N 3.45Å |
| 56 | P | 76.6 | Confident | 76.2 | Confident | 93 Ų | 93 | 97.4 Ų | 97.4 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | B | Isolated β-bridge | trans | -61.4 | 143.9 | 170.6 | 27.3 | -33.4 | 0 | 0 | 0 | 109.9 | I48 T58 | I48-P56 WeakPolarHBondContact O-CA 3.35Å; P56-T58 PolarHBondContact O-N 3.38Å |
| 57 | F | 77.2 | Confident | 76.6 | Confident | 71 Ų | 71 | 100.2 Ų | 100.2 | 31% | 0.311 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 117.1 | 171.6 | -74.4 | -104.3 | 0 | 0 | 0 | 108.6 | V44 I48 C50 A62 | V44-F57 HydrophobicContact CG1-CB 4.45Å; V44-F57 HydrophobicContact CG2-CB 4.25Å; I48-F57 HydrophobicContact CB-CD2 4.33Å; I48-F57 HydrophobicContact CG2-CB 4Å; I48-F57 HydrophobicContact CG2-CD2 3.01Å; I48-F57 HydrophobicContact CG2-CE2 3.41Å; I48-F57 VanDerWaalsContact CG2-CE2 3.41Å; I48-F57 HydrophobicContact CG2-CG 3.63Å; I48-F57 HydrophobicContact CG2-CZ 4.35Å; I48-F57 WeakPolarHBondContact O-CD2 3.36Å; I48-F57 PolarHBondContact O-N 2.94Å; C50-F57 VanDerWaalsContact CA-CE2 3.49Å; C50-F57 HydrophobicContact CB-CE2 3.92Å; C50-F57 HydrophobicContact CB-CZ 4.14Å; C50-F57 VanDerWaalsContact N-CE2 3.32Å; F57-A62 HydrophobicContact CD1-CB 3.53Å; F57-A62 HydrophobicContact CE1-CB 3.36Å; F57-A62 HydrophobicContact CG-CB 4.25Å; F57-A62 HydrophobicContact CZ-CB 3.91Å |
| 58 | T | 74.2 | Confident | 77 | Confident | 133 Ų | 133 | 97.7 Ų | 97.7 | 82% | 0.816 | 55% | 0.548 | S | S | * | . | trans | -89.4 | -10.5 | 176.7 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | P56 | P56-T58 PolarHBondContact O-N 3.38Š| ||
| 59 | N | 69.1 | Low | 77.2 | Confident | 114 Ų | 114 | 99.5 Ų | 99.5 | 61% | 0.61 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -99 | 159.1 | 176.7 | -90.3 | -66 | 0 | 0 | 0 | 111.3 | D61 | N59-D61 PolarHBondContact O-N 2.78Š|
| 60 | K | 67.7 | Low | 77 | Confident | 154 Ų | 154 | 100.7 Ų | 100.7 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -73.8 | -18.1 | -179.2 | -51.3 | -178.7 | -176.1 | -164.5 | 0 | 112.2 | V44 | V44-K60 PolarHBondContact N-O 2.67Š|
| 61 | D | 71.1 | Confident | 76.9 | Confident | 67 Ų | 67 | 104.9 Ų | 104.9 | 36% | 0.358 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.8 | -174 | -48.6 | -75 | 0 | 0 | 0 | 109.2 | N59 | N59-D61 PolarHBondContact O-N 2.78Å |
| 62 | A | 78.2 | Confident | 76.8 | Confident | 3 Ų | 3 | 104.5 Ų | 104.5 | 3% | 0.025 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S41 I42 V44 F57 | S41-A62 CarbonylContact C-O 3.54Å; S41-A62 WeakPolarHBondContact CA-O 3.44Å; I42-A62 HydrophobicContact CG1-CB 4.14Å; I42-A62 VanDerWaalsContact CG1-O 3.29Å; I42-A62 WeakPolarHBondContact CG1-O 3.35Å; I42-A62 PolarHBondContact N-O 2.89Å; I42-A62 PolarHBondContact O-N 3.41Å; V44-A62 HydrophobicContact CG2-CB 3.43Å; V44-A62 VanDerWaalsContact CG2-CB 3.43Å; F57-A62 HydrophobicContact CD1-CB 3.53Å; F57-A62 HydrophobicContact CE1-CB 3.36Å; F57-A62 HydrophobicContact CG-CB 4.25Å; F57-A62 HydrophobicContact CZ-CB 3.91Å |
| 63 | Y | 79.3 | Confident | 76.4 | Confident | 122 Ų | 122 | 99.1 Ų | 99.1 | 48% | 0.478 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.1 | 174.1 | -66.8 | -78 | 0 | 0 | 0 | 109.6 | D30 S41 | D30-Y63 HydrophobicContact CB-CE1 4.23Å; D30-Y63 WeakPolarHBondContact OD1-CE1 3.1Å; D30-Y63 PolarHBondContact OD2-OH 3.11Å; S41-Y63 WeakPolarHBondContact OG-CE1 3.01Å |
| 64 | T | 77.9 | Confident | 75.7 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 39% | 0.387 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.8 | 169 | -165.9 | 0 | 0 | 0 | 0 | 109.5 | F39 S40 I42 | F39-T64 WeakPolarHBondContact CA-O 3.34Å; S40-T64 PolarHBondContact N-O 3.5Å; S40-T64 PolarHBondContact O-N 2.85Å; S40-T64 VanDerWaalsContact O-N 3.1Å; I42-T64 HydrophobicContact CD1-CG2 4.01Å; I42-T64 HydrophobicContact CG1-CG2 4.2Å; I42-T64 HydrophobicContact CG2-CG2 3.64Å |
| 65 | C | 79.4 | Confident | 75.2 | Confident | 67 Ų | 67 | 96.5 Ų | 96.5 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 143.5 | 163.5 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | H37 T38 F39 | H37-C65 HydrophobicContact CB-CB 4.38Å; T38-C65 WeakPolarHBondContact O-CA 3.09Å; F39-C65 HydrophobicContact CD1-CB 4.12Å; F39-C65 HydrophobicContact CE1-CB 3.78Å; F39-C65 HydrophobicContact CZ-CB 4.04Å |
| 66 | A | 68.8 | Low | 74.5 | Confident | 134 Ų | 134 | 92.8 Ų | 92.8 | 100% | 1.107 | 53% | 0.529 | S | S | * | . | trans | -110.9 | 0 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T38 | T38-A66 PolarHBondContact O-N 2.99Å; T38-A66 VanDerWaalsContact O-N 3.14Å |
Retrieved 66 of 66 residues in 414.8 ms
(Link to these results)