| 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 | 34.2 | Very low | 42 | Very low | 232 Ų | 232 | 134.1 Ų | 134.1 | 100% | 1.143 | 66% | 0.656 | S | S | * | * | 0 | 102.9 | 0 | -38.2 | -165.9 | -168.5 | 0 | 0 | 105.7 | T3 | M1-T3 PolarHBondContact O-N 3.17Š| |||
| 2 | H | 37.8 | Very low | 42.7 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 83% | 0.829 | 64% | 0.636 | S | S | * | * | trans | -80.6 | 103.4 | -178.1 | -79.4 | 100.6 | 0 | 0 | 0 | 108.6 | W4 | H2-W4 PolarHBondContact O-N 3.16Å; H2-W4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | T | 36.8 | Very low | 42.7 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -74.9 | 99.4 | 172.5 | -40.4 | 0 | 0 | 0 | 0 | 108 | M1 R5 | M1-T3 PolarHBondContact O-N 3.17Å; T3-R5 PolarHBondContact O-N 3.25Å; T3-R5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | W | 39.8 | Very low | 43.1 | Very low | 233 Ų | 233 | 122.5 Ų | 122.5 | 88% | 0.883 | 60% | 0.604 | S | S | * | * | trans | -63.8 | 108.9 | 167.4 | -63.2 | 92.1 | 0 | 0 | 0 | 107.7 | H2 H6 | H2-W4 PolarHBondContact O-N 3.16Å; H2-W4 VanDerWaalsContact O-N 3.16Å; W4-H6 PolarHBondContact O-N 3.27Å; W4-H6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | R | 43.2 | Very low | 42.6 | Very low | 165 Ų | 165 | 121.5 Ų | 121.5 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | trans | -67.4 | 112.2 | 168 | -81.5 | -176.6 | 172.1 | 167 | -0.3 | 107.6 | T3 V7 S30 | T3-R5 PolarHBondContact O-N 3.25Å; T3-R5 VanDerWaalsContact O-N 3.08Å; R5-V7 PolarHBondContact O-N 3.08Å; R5-S30 PolarHBondContact NE-OG 3.31Å | ||
| 6 | H | 43.4 | Very low | 42.7 | Very low | 154 Ų | 154 | 120.8 Ų | 120.8 | 71% | 0.713 | 60% | 0.602 | S | S | * | * | trans | -68.2 | 115.3 | 170.3 | -139.5 | -137.4 | 0 | 0 | 0 | 107.9 | W4 | W4-H6 PolarHBondContact O-N 3.27Å; W4-H6 VanDerWaalsContact O-N 3.17Å | ||
| 7 | V | 45.5 | Very low | 42.7 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 113.1 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 106.7 | R5 V9 T26 | R5-V7 PolarHBondContact O-N 3.08Å; V7-V9 HydrophobicContact CG1-CG2 4.29Å; V7-T26 HydrophobicContact CG1-CG2 3.74Å |
| 8 | S | 45.4 | Very low | 42.8 | Very low | 40 Ų | 40 | 126 Ų | 126 | 28% | 0.28 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.1 | 113.6 | 172.5 | -158.4 | 0 | 0 | 0 | 0 | 108.4 | H10 V27 | S8-H10 PolarHBondContact OG-CE1 3.05Å; S8-H10 PolarHBondContact OG-ND1 3.44Å; S8-V27 PolarHBondContact O-N 3.41Å |
| 9 | V | 43.9 | Very low | 42.6 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.1 | 171.2 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | V7 | V7-V9 HydrophobicContact CG1-CG2 4.29Å |
| 10 | H | 47.9 | Very low | 42.7 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 42% | 0.421 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.6 | 171.4 | -72.5 | 83.8 | 0 | 0 | 0 | 108.7 | S8 S25 | S8-H10 PolarHBondContact OG-CE1 3.05Å; S8-H10 PolarHBondContact OG-ND1 3.44Å; H10-S25 PolarHBondContact N-O 3.45Å; H10-S25 PolarHBondContact O-N 2.77Å |
| 11 | T | 44.5 | Very low | 42.7 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.5 | 173.1 | -52.8 | 0 | 0 | 0 | 0 | 107.7 | T22 F24 | T11-T22 HydrophobicContact CG2-CG2 3.84Å; T11-F24 HydrophobicContact CG2-CD1 4.19Å; T11-F24 HydrophobicContact CG2-CE1 3.69Å; T11-F24 HydrophobicContact CG2-CZ 4.26Å |
| 12 | H | 49.9 | Very low | 43.2 | Very low | 89 Ų | 89 | 110 Ų | 110 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 129 | 171.6 | -78.8 | -76.5 | 0 | 0 | 0 | 110 | T22 C23 | H12-T22 WeakPolarHBondContact O-CA 3.32Å; H12-C23 PolarHBondContact N-O 3.33Å; H12-C23 PolarHBondContact O-N 3.28Å |
| 13 | T | 42.5 | Very low | 43.5 | Very low | 85 Ų | 85 | 102.8 Ų | 102.8 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 113.9 | 174.4 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | T20 | T13-T20 HydrophobicContact CG2-CG2 3.5Å |
| 14 | H | 48 | Very low | 43.9 | Very low | 66 Ų | 66 | 101.7 Ų | 101.7 | 31% | 0.306 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.6 | 171.5 | -68.9 | -90.1 | 0 | 0 | 0 | 108.9 | T20 H21 | H14-T20 CarbonylContact O-C 3.52Å; H14-T20 WeakPolarHBondContact O-CA 3.43Å; H14-H21 PolarHBondContact N-O 3.24Å; H14-H21 PolarHBondContact O-N 3Å |
| 15 | T | 36.4 | Very low | 44 | Very low | 108 Ų | 108 | 92.3 Ų | 92.3 | 66% | 0.663 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 103.6 | 171.5 | -52.7 | 0 | 0 | 0 | 0 | 107.4 | ||
| 16 | H | 44.1 | Very low | 43.9 | Very low | 110 Ų | 110 | 87.9 Ų | 87.9 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 147.3 | 162 | -77.8 | -87.5 | 0 | 0 | 0 | 108.1 | H18 T19 | H16-H18 PolarHBondContact O-N 3.33Å; H16-T19 WeakPolarHBondContact CA-O 3.28Å; H16-T19 WeakPolarHBondContact CB-O 3.46Å; H16-T19 PolarHBondContact N-O 3.45Å; H16-T19 PolarHBondContact O-N 3.49Å |
| 17 | T | 42.8 | Very low | 43.8 | Very low | 149 Ų | 149 | 81.5 Ų | 81.5 | 91% | 0.914 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 4.7 | 179.4 | 17.8 | 0 | 0 | 0 | 0 | 115 | ||
| 18 | H | 44.2 | Very low | 43.4 | Very low | 186 Ų | 186 | 81.5 Ų | 81.5 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.9 | -7 | 171.6 | -117.4 | -121 | 0 | 0 | 0 | 115.1 | H16 | H16-H18 PolarHBondContact O-N 3.33Š|
| 19 | T | 39.5 | Very low | 43 | Very low | 74 Ų | 74 | 85.4 Ų | 85.4 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 133.8 | -178.7 | -42.2 | 0 | 0 | 0 | 0 | 111.4 | H16 H21 | H16-T19 WeakPolarHBondContact CA-O 3.28Å; H16-T19 WeakPolarHBondContact CB-O 3.46Å; H16-T19 PolarHBondContact N-O 3.45Å; H16-T19 PolarHBondContact O-N 3.49Å; T19-H21 WeakPolarHBondContact CB-NE2 3.31Å; T19-H21 VanDerWaalsContact CG2-NE2 3.27Å; T19-H21 WeakPolarHBondContact CG2-NE2 3.39Å |
| 20 | T | 44.1 | Very low | 42.9 | Very low | 85 Ų | 85 | 84.5 Ų | 84.5 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.9 | 170.9 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | T13 H14 | T13-T20 HydrophobicContact CG2-CG2 3.5Å; H14-T20 CarbonylContact O-C 3.52Å; H14-T20 WeakPolarHBondContact O-CA 3.43Å |
| 21 | H | 43.8 | Very low | 42.5 | Very low | 57 Ų | 57 | 89 Ų | 89 | 26% | 0.264 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.5 | 177 | -70.3 | -76.7 | 0 | 0 | 0 | 110.1 | H14 T19 P50 | H14-H21 PolarHBondContact N-O 3.24Å; H14-H21 PolarHBondContact O-N 3Å; T19-H21 WeakPolarHBondContact CB-NE2 3.31Å; T19-H21 VanDerWaalsContact CG2-NE2 3.27Å; T19-H21 WeakPolarHBondContact CG2-NE2 3.39Å; H21-P50 VanDerWaalsContact CE1-CG 3.5Å; H21-P50 WeakPolarHBondContact CE1-CG 3.16Å |
| 22 | T | 43.8 | Very low | 42.3 | Very low | 57 Ų | 57 | 91.4 Ų | 91.4 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.2 | 174.3 | -55.9 | 0 | 0 | 0 | 0 | 108.4 | T11 H12 F24 | T11-T22 HydrophobicContact CG2-CG2 3.84Å; H12-T22 WeakPolarHBondContact O-CA 3.32Å; T22-F24 HydrophobicContact CG2-CD2 4.3Å; T22-F24 HydrophobicContact CG2-CE1 4.39Å; T22-F24 HydrophobicContact CG2-CE2 3.69Å; T22-F24 HydrophobicContact CG2-CZ 3.74Å |
| 23 | C | 44.1 | Very low | 42 | Very low | 28 Ų | 28 | 92.7 Ų | 92.7 | 19% | 0.189 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.5 | 175.3 | -64.3 | 0 | 0 | 0 | 0 | 108.6 | H12 | H12-C23 PolarHBondContact N-O 3.33Å; H12-C23 PolarHBondContact O-N 3.28Å |
| 24 | F | 44.3 | Very low | 42.1 | Very low | 105 Ų | 105 | 91.6 Ų | 91.6 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119 | 173.6 | -66.4 | -84.4 | 0 | 0 | 0 | 109.2 | T11 T22 | T11-F24 HydrophobicContact CG2-CD1 4.19Å; T11-F24 HydrophobicContact CG2-CE1 3.69Å; T11-F24 HydrophobicContact CG2-CZ 4.26Å; T22-F24 HydrophobicContact CG2-CD2 4.3Å; T22-F24 HydrophobicContact CG2-CE1 4.39Å; T22-F24 HydrophobicContact CG2-CE2 3.69Å; T22-F24 HydrophobicContact CG2-CZ 3.74Å |
| 25 | S | 41.9 | Very low | 41.8 | Very low | 37 Ų | 37 | 92.4 Ų | 92.4 | 26% | 0.259 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.4 | 171.9 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | H10 V27 | H10-S25 PolarHBondContact N-O 3.45Å; H10-S25 PolarHBondContact O-N 2.77Å; S25-V27 PolarHBondContact O-N 3.18Å |
| 26 | T | 42.5 | Very low | 42.3 | Very low | 71 Ų | 71 | 91.2 Ų | 91.2 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 99.9 | 169.4 | -53 | 0 | 0 | 0 | 0 | 107.9 | V7 N28 | V7-T26 HydrophobicContact CG1-CG2 3.74Å; T26-N28 PolarHBondContact O-N 2.77Å |
| 27 | V | 41.5 | Very low | 42.5 | Very low | 20 Ų | 20 | 90.8 Ų | 90.8 | 12% | 0.121 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 112.3 | -178.9 | -152.9 | 0 | 0 | 0 | 0 | 108.3 | S8 S25 L29 P34 | S8-V27 PolarHBondContact O-N 3.41Å; S25-V27 PolarHBondContact O-N 3.18Å; V27-L29 PolarHBondContact O-N 3.41Å; V27-P34 HydrophobicContact CG1-CG 4.07Å |
| 28 | N | 37.4 | Very low | 42.9 | Very low | 82 Ų | 82 | 88.1 Ų | 88.1 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 103.3 | 170.2 | -151.2 | -47.9 | 0 | 0 | 0 | 108 | T26 S30 | T26-N28 PolarHBondContact O-N 2.77Å; N28-S30 PolarHBondContact O-N 2.95Å |
| 29 | L | 36.5 | Very low | 43.2 | Very low | 123 Ų | 123 | 80.1 Ų | 80.1 | 64% | 0.644 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 21.8 | -167.7 | -141.8 | 79 | 0 | 0 | 0 | 115.3 | V27 | V27-L29 PolarHBondContact O-N 3.41Š|
| 30 | S | 41.6 | Very low | 43.7 | Very low | 71 Ų | 71 | 81 Ų | 81 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -12 | -170.1 | -54.1 | 0 | 0 | 0 | 0 | 115.2 | R5 N28 | R5-S30 PolarHBondContact NE-OG 3.31Å; N28-S30 PolarHBondContact O-N 2.95Å |
| 31 | R | 40.3 | Very low | 44.4 | Very low | 187 Ų | 187 | 82.5 Ų | 82.5 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -158.7 | 103.6 | -176.6 | -159.7 | 176 | -166.2 | 176.3 | 3.1 | 108.3 | ||
| 32 | T | 40.1 | Very low | 44.9 | Very low | 130 Ų | 130 | 83.1 Ų | 83.1 | 80% | 0.798 | 45% | 0.445 | S | S | * | . | trans | 47.6 | 102.2 | 167.7 | 38.7 | 0 | 0 | 0 | 0 | 116 | P34 | T32-P34 VanDerWaalsContact O-CD 3.28Å; T32-P34 WeakPolarHBondContact O-CD 3.01Å; T32-P34 VanDerWaalsContact O-N 3.13Å | ||
| 33 | T | 41.9 | Very low | 45.5 | Very low | 115 Ų | 115 | 81 Ų | 81 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | trans | -36.1 | 110.9 | 172.3 | -33.2 | 0 | 0 | 0 | 0 | 112.5 | T35 | T33-T35 PolarHBondContact O-N 3.47Š| ||
| 34 | P | 45.3 | Very low | 46.3 | Very low | 63 Ų | 63 | 87.5 Ų | 87.5 | 41% | 0.409 | 46% | 0.46 | S | S | . | . | trans | -66.2 | 104.1 | 160.2 | 25.9 | -30.6 | 0 | 0 | 0 | 106.8 | V27 T32 | V27-P34 HydrophobicContact CG1-CG 4.07Å; T32-P34 VanDerWaalsContact O-CD 3.28Å; T32-P34 WeakPolarHBondContact O-CD 3.01Å; T32-P34 VanDerWaalsContact O-N 3.13Å | ||
| 35 | T | 42.6 | Very low | 46.9 | Very low | 82 Ų | 82 | 90.1 Ų | 90.1 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | trans | -62.5 | 136.8 | 171.5 | 34.4 | 0 | 0 | 0 | 0 | 108.2 | T33 I37 Q38 | T33-T35 PolarHBondContact O-N 3.47Å; T35-I37 PolarHBondContact O-N 2.95Å; T35-Q38 PolarHBondContact O-N 3.32Å | ||
| 36 | N | 45.9 | Very low | 47.6 | Very low | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -33.5 | -30.6 | 177.8 | 179.7 | -94.3 | 0 | 0 | 0 | 115.6 | Q38 | N36-Q38 PolarHBondContact O-N 2.79Š|
| 37 | I | 48.9 | Very low | 48.3 | Very low | 101 Ų | 101 | 100.5 Ų | 100.5 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -36.4 | 178.2 | -55.2 | 172.1 | 0 | 0 | 0 | 113.4 | T35 C39 E40 E41 | T35-I37 PolarHBondContact O-N 2.95Å; I37-C39 VanDerWaalsContact C-N 3.3Å; I37-C39 PolarHBondContact O-N 3.47Å; I37-E40 PolarHBondContact O-N 3.29Å; I37-E41 HydrophobicContact CG2-CG 4.18Å; I37-E41 WeakPolarHBondContact O-CG 2.94Å; I37-E41 PolarHBondContact O-N 3.06Å |
| 38 | Q | 51.5 | Low | 48.8 | Very low | 93 Ų | 93 | 101.4 Ų | 101.4 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.5 | -26.8 | -172.5 | -67.9 | -174.5 | -49.8 | 0 | 0 | 113.3 | T35 N36 M42 | T35-Q38 PolarHBondContact O-N 3.32Å; N36-Q38 PolarHBondContact O-N 2.79Å; Q38-M42 VanDerWaalsContact O-CB 3.31Å; Q38-M42 WeakPolarHBondContact O-CB 3.35Å; Q38-M42 WeakPolarHBondContact O-CG 3.42Å; Q38-M42 PolarHBondContact O-N 3.21Å |
| 39 | C | 49.4 | Very low | 49.4 | Very low | 18 Ų | 18 | 100.7 Ų | 100.7 | 12% | 0.122 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -70.6 | -44.3 | -178.8 | -163.4 | 0 | 0 | 0 | 0 | 111.3 | I37 C43 | I37-C39 VanDerWaalsContact C-N 3.3Å; I37-C39 PolarHBondContact O-N 3.47Å; C39-C43 PolarHBondContact O-N 3.15Å; C39-C43 VanDerWaalsContact O-N 3.15Å; C39-C43 PolarHBondContact O-SG 3.21Å |
| 40 | E | 51.4 | Low | 50 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -43.4 | 178.4 | -64.5 | -173.7 | 128.6 | 0 | 0 | 111.2 | I37 M42 C43 H44 | I37-E40 PolarHBondContact O-N 3.29Å; E40-M42 VanDerWaalsContact C-N 3.35Å; E40-M42 PolarHBondContact O-N 3.01Å; E40-C43 PolarHBondContact O-N 3.3Å; E40-H44 WeakPolarHBondContact O-CB 3.48Å; E40-H44 PolarHBondContact O-CD2 3.24Å; E40-H44 PolarHBondContact O-N 3.18Å |
| 41 | E | 57.1 | Low | 50.4 | Low | 116 Ų | 116 | 100.3 Ų | 100.3 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 175.8 | -73.3 | -178.5 | 147.1 | 0 | 0 | 112.1 | I37 Q45 | I37-E41 HydrophobicContact CG2-CG 4.18Å; I37-E41 WeakPolarHBondContact O-CG 2.94Å; I37-E41 PolarHBondContact O-N 3.06Å; E41-Q45 VanDerWaalsContact O-CB 3.24Å; E41-Q45 WeakPolarHBondContact O-CB 3.24Å; E41-Q45 VanDerWaalsContact O-CG 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.4Å; E41-Q45 PolarHBondContact O-N 2.89Å |
| 42 | M | 55.6 | Low | 50.9 | Low | 69 Ų | 69 | 95.6 Ų | 95.6 | 34% | 0.34 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.9 | -76.9 | -170.6 | -43.8 | 0 | 0 | 112.3 | Q38 E40 Q45 H46 A57 | Q38-M42 VanDerWaalsContact O-CB 3.31Å; Q38-M42 WeakPolarHBondContact O-CB 3.35Å; Q38-M42 WeakPolarHBondContact O-CG 3.42Å; Q38-M42 PolarHBondContact O-N 3.21Å; E40-M42 VanDerWaalsContact C-N 3.35Å; E40-M42 PolarHBondContact O-N 3.01Å; M42-Q45 PolarHBondContact O-N 2.97Å; M42-H46 WeakPolarHBondContact O-CB 3.3Å; M42-H46 PolarHBondContact O-N 2.78Å; M42-H46 PolarHBondContact O-ND1 1.99Å; M42-A57 HydrophobicContact CE-CB 3.37Å |
| 43 | C | 56 | Low | 51.4 | Low | 14 Ų | 14 | 89.8 Ų | 89.8 | 10% | 0.095 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -74.7 | -35.3 | -178.2 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | C39 E40 K47 V48 C53 | C39-C43 PolarHBondContact O-N 3.15Å; C39-C43 VanDerWaalsContact O-N 3.15Å; C39-C43 PolarHBondContact O-SG 3.21Å; E40-C43 PolarHBondContact O-N 3.3Å; C43-K47 PolarHBondContact O-N 2.71Å; C43-V48 PolarHBondContact O-N 3.37Å; C43-C53 HydrophobicContact CB-CB 3.79Å; C43-C53 WeakPolarHBondContact CB-SG 3.46Å; C43-C53 WeakPolarHBondContact SG-CA 3.45Å; C43-C53 WeakPolarHBondContact SG-CB 3.27Å; C43-C53 CovalentContact SG-SG 1.99Å; C43-C53 PolarHBondContact SG-SG 2.98Å |
| 44 | H | 60.6 | Low | 51.8 | Low | 163 Ų | 163 | 86 Ų | 86 | 76% | 0.755 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 168.3 | -90.7 | -92.5 | 0 | 0 | 0 | 112.3 | E40 | E40-H44 WeakPolarHBondContact O-CB 3.48Å; E40-H44 PolarHBondContact O-CD2 3.24Å; E40-H44 PolarHBondContact O-N 3.18Å |
| 45 | Q | 57.3 | Low | 51.8 | Low | 160 Ų | 160 | 88.4 Ų | 88.4 | 75% | 0.748 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 177.8 | -87.9 | -93.6 | -15.4 | 0 | 0 | 112.6 | E41 M42 K47 | E41-Q45 VanDerWaalsContact O-CB 3.24Å; E41-Q45 WeakPolarHBondContact O-CB 3.24Å; E41-Q45 VanDerWaalsContact O-CG 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.4Å; E41-Q45 PolarHBondContact O-N 2.89Å; M42-Q45 PolarHBondContact O-N 2.97Å; Q45-K47 VanDerWaalsContact C-N 3.33Å; Q45-K47 PolarHBondContact O-N 2.94Å |
| 46 | H | 57.1 | Low | 51.7 | Low | 131 Ų | 131 | 87 Ų | 87 | 61% | 0.606 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.6 | -172.8 | -66.3 | 78.9 | 0 | 0 | 0 | 113.6 | M42 V48 | M42-H46 WeakPolarHBondContact O-CB 3.3Å; M42-H46 PolarHBondContact O-N 2.78Å; M42-H46 PolarHBondContact O-ND1 1.99Å; H46-V48 HydrophobicContact CB-CB 4.49Å; H46-V48 HydrophobicContact CB-CG2 3.47Å; H46-V48 VanDerWaalsContact CB-CG2 3.47Å; H46-V48 PolarHBondContact O-N 3.27Å; H46-V48 VanDerWaalsContact O-N 3.1Å |
| 47 | K | 56.7 | Low | 51.4 | Low | 196 Ų | 196 | 84.8 Ų | 84.8 | 85% | 0.852 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 33.8 | -173.9 | -61.8 | 178.6 | 179.2 | -109.7 | 0 | 112.2 | C43 Q45 | C43-K47 PolarHBondContact O-N 2.71Å; Q45-K47 VanDerWaalsContact C-N 3.33Å; Q45-K47 PolarHBondContact O-N 2.94Å |
| 48 | V | 50.8 | Low | 51.1 | Low | 39 Ų | 39 | 84 Ų | 84 | 24% | 0.236 | 44% | 0.443 | C | S | . | . | trans | -84.2 | 128.6 | -176.6 | 177.1 | 0 | 0 | 0 | 0 | 107.1 | C43 H46 D52 | C43-V48 PolarHBondContact O-N 3.37Å; H46-V48 HydrophobicContact CB-CB 4.49Å; H46-V48 HydrophobicContact CB-CG2 3.47Å; H46-V48 VanDerWaalsContact CB-CG2 3.47Å; H46-V48 PolarHBondContact O-N 3.27Å; H46-V48 VanDerWaalsContact O-N 3.1Å; V48-D52 HydrophobicContact CG1-CB 3.31Å | ||
| 49 | P | 50.3 | Low | 50.6 | Low | 66 Ų | 66 | 86.7 Ų | 86.7 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | trans | -56 | 140.8 | 175 | 22.2 | -30.6 | 0 | 0 | 0 | 108.9 | T51 D52 C53 | P49-T51 PolarHBondContact O-N 3.43Å; P49-D52 HydrophobicContact CG-CB 4.1Å; P49-D52 WeakPolarHBondContact O-CA 3.5Å; P49-D52 PolarHBondContact O-N 3.4Å; P49-C53 PolarHBondContact O-N 2.89Å | ||
| 50 | P | 49.3 | Very low | 50.1 | Low | 73 Ų | 73 | 88.7 Ų | 88.7 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -18.4 | -172.2 | 20.2 | -31.7 | 0 | 0 | 0 | 113.4 | H21 C53 | H21-P50 VanDerWaalsContact CE1-CG 3.5Å; H21-P50 WeakPolarHBondContact CE1-CG 3.16Å; P50-C53 VanDerWaalsContact O-CB 3.32Å; P50-C53 WeakPolarHBondContact O-CB 3.49Å |
| 51 | T | 50.5 | Low | 49.6 | Very low | 113 Ų | 113 | 88.2 Ų | 88.2 | 69% | 0.693 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -35.8 | 169.2 | 37.3 | 0 | 0 | 0 | 0 | 114 | P49 | P49-T51 PolarHBondContact O-N 3.43Š|
| 52 | D | 51.1 | Low | 48.8 | Very low | 88 Ų | 88 | 92.8 Ų | 92.8 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -10.3 | 178.6 | -80.6 | -84.3 | 0 | 0 | 0 | 113 | V48 P49 S54 I55 | V48-D52 HydrophobicContact CG1-CB 3.31Å; P49-D52 HydrophobicContact CG-CB 4.1Å; P49-D52 WeakPolarHBondContact O-CA 3.5Å; P49-D52 PolarHBondContact O-N 3.4Å; D52-S54 PolarHBondContact O-N 2.77Å; D52-I55 PolarHBondContact O-N 2.78Å |
| 53 | C | 50 | Low | 47.9 | Very low | 9 Ų | 9 | 97.7 Ų | 97.7 | 6% | 0.061 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -56.7 | -23.9 | 175 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | C43 P49 P50 I55 | C43-C53 HydrophobicContact CB-CB 3.79Å; C43-C53 WeakPolarHBondContact CB-SG 3.46Å; C43-C53 WeakPolarHBondContact SG-CA 3.45Å; C43-C53 WeakPolarHBondContact SG-CB 3.27Å; C43-C53 CovalentContact SG-SG 1.99Å; C43-C53 PolarHBondContact SG-SG 2.98Å; P49-C53 PolarHBondContact O-N 2.89Å; P50-C53 VanDerWaalsContact O-CB 3.32Å; P50-C53 WeakPolarHBondContact O-CB 3.49Å; C53-I55 VanDerWaalsContact C-N 3.26Å; C53-I55 PolarHBondContact O-N 2.92Å |
| 54 | S | 50.2 | Low | 46.7 | Very low | 36 Ų | 36 | 102 Ų | 102 | 25% | 0.252 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74 | -5.6 | -175.8 | -59.4 | 0 | 0 | 0 | 0 | 115 | D52 | D52-S54 PolarHBondContact O-N 2.77Å |
| 55 | I | 45.5 | Very low | 45.5 | Very low | 113 Ų | 113 | 104 Ų | 104 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -124.5 | -27.7 | -174.1 | -54.5 | -176.7 | 0 | 0 | 0 | 112.9 | D52 C53 A57 I58 | D52-I55 PolarHBondContact O-N 2.78Å; C53-I55 VanDerWaalsContact C-N 3.26Å; C53-I55 PolarHBondContact O-N 2.92Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 3.1Å; I55-I58 PolarHBondContact O-N 3.26Å |
| 56 | A | 39.9 | Very low | 45 | Very low | 51 Ų | 51 | 101.2 Ų | 101.2 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.2 | -25.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I58 | A56-I58 VanDerWaalsContact C-N 3.28Å; A56-I58 PolarHBondContact O-N 3.29Å |
| 57 | A | 40.8 | Very low | 44.3 | Very low | 38 Ų | 38 | 99.6 Ų | 99.6 | 31% | 0.314 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.2 | -17.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M42 I55 | M42-A57 HydrophobicContact CE-CB 3.37Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 3.1Å |
| 58 | I | 41.6 | Very low | 43.6 | Very low | 85 Ų | 85 | 94.3 Ų | 94.3 | 44% | 0.436 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -95.8 | -16 | -171.6 | -53.9 | 177.9 | 0 | 0 | 0 | 111.8 | I55 A56 | I55-I58 PolarHBondContact O-N 3.26Å; A56-I58 VanDerWaalsContact C-N 3.28Å; A56-I58 PolarHBondContact O-N 3.29Å |
| 59 | Q | 41.7 | Very low | 43.2 | Very low | 148 Ų | 148 | 97.5 Ų | 97.5 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -94.5 | -24.5 | 179.9 | -68.9 | -177.7 | -24.6 | 0 | 0 | 113.4 | ||
| 60 | G | 39.8 | Very low | 42.8 | Very low | 60 Ų | 60 | 99.5 Ų | 99.5 | 62% | 0.619 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.5 | -28.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | R62 | G60-R62 VanDerWaalsContact C-N 3.29Å; G60-R62 PolarHBondContact O-N 3.46Å |
| 61 | A | 40.1 | Very low | 42.3 | Very low | 84 Ų | 84 | 101.3 Ų | 101.3 | 69% | 0.694 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -0.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 62 | R | 40.5 | Very low | 41.8 | Very low | 212 Ų | 212 | 100.4 Ų | 100.4 | 80% | 0.8 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -4 | -179.1 | -98.4 | 179.9 | 150.1 | 174.3 | -6.4 | 114.5 | G60 | G60-R62 VanDerWaalsContact C-N 3.29Å; G60-R62 PolarHBondContact O-N 3.46Å |
| 63 | H | 36.3 | Very low | 41 | Very low | 172 Ų | 172 | 101.4 Ų | 101.4 | 80% | 0.796 | 58% | 0.581 | S | S | * | * | trans | -115.1 | 69.3 | 173.7 | -73.2 | 179.9 | 0 | 0 | 0 | 110.6 | ||||
| 64 | T | 31.3 | Very low | 40.3 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | -145.8 | 95.9 | 158.3 | -22.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 65 | V | 35.9 | Very low | 39.4 | Very low | 204 Ų | 204 | 115.7 Ų | 115.7 | 100% | 1.236 | 66% | 0.658 | S | S | * | * | trans | -52.5 | 0 | 161.6 | -78.2 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 65 of 65 residues in 93.8 ms
(Link to these results)