| 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 | T | 86.3 | Confident | 93.9 | Very high | 154 Ų | 154 | 122.5 Ų | 122.5 | 95% | 0.945 | 64% | 0.643 | S | S | * | * | 0 | 136.4 | 0 | 37.9 | 0 | 0 | 0 | 0 | 110.4 | S5 S6 | T1-S5 WeakPolarHBondContact CB-OG 3.47Å; T1-S5 PolarHBondContact O-OG 3.47Å; T1-S5 PolarHBondContact OG1-OG 3.4Å; T1-S6 PolarHBondContact O-OG 2.8Å | |||
| 2 | K | 92.1 | Very high | 94.1 | Very high | 207 Ų | 207 | 123.8 Ų | 123.8 | 90% | 0.9 | 65% | 0.651 | S | S | * | * | trans | -89.5 | 158.1 | 177 | -62.6 | 175.6 | -177.9 | 173.1 | 0 | 109.3 | ||||
| 3 | G | 92.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 124.2 Ų | 124.2 | 33% | 0.33 | 64% | 0.644 | S | S | . | * | S | Bend | trans | 88.6 | -122.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | S5 S6 F7 | G3-S5 PolarHBondContact O-N 3.02Å; G3-S6 WeakPolarHBondContact O-CA 3.25Å; G3-S6 WeakPolarHBondContact O-CB 3.34Å; G3-S6 PolarHBondContact O-N 3.4Å; G3-F7 WeakPolarHBondContact O-CD2 3.15Å; G3-F7 PolarHBondContact O-N 3.01Å |
| 4 | T | 95.3 | Very high | 94.5 | Very high | 128 Ų | 128 | 120.4 Ų | 120.4 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -49.8 | -52.6 | -170.4 | -51.5 | 0 | 0 | 0 | 0 | 113.7 | S6 F7 | T4-S6 PolarHBondContact O-N 2.82Å; T4-F7 PolarHBondContact O-N 3.18Å; T4-F7 VanDerWaalsContact O-N 3.16Å |
| 5 | S | 94.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 117.9 Ų | 117.9 | 41% | 0.406 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.1 | -27.5 | 178.7 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | T1 G3 | T1-S5 WeakPolarHBondContact CB-OG 3.47Å; T1-S5 PolarHBondContact O-OG 3.47Å; T1-S5 PolarHBondContact OG1-OG 3.4Å; G3-S5 PolarHBondContact O-N 3.02Å |
| 6 | S | 94.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 113.5 Ų | 113.5 | 34% | 0.336 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -82.3 | -30.8 | 178.1 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | T1 G3 T4 G8 K9 | T1-S6 PolarHBondContact O-OG 2.8Å; G3-S6 WeakPolarHBondContact O-CA 3.25Å; G3-S6 WeakPolarHBondContact O-CB 3.34Å; G3-S6 PolarHBondContact O-N 3.4Å; T4-S6 PolarHBondContact O-N 2.82Å; S6-G8 VanDerWaalsContact C-N 3.34Å; S6-G8 PolarHBondContact O-N 3.49Å; S6-K9 PolarHBondContact O-N 3.41Å |
| 7 | F | 95.6 | Very high | 95.1 | Very high | 113 Ų | 113 | 114.2 Ų | 114.2 | 50% | 0.496 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.6 | -36.4 | -179.8 | -70.9 | -63.3 | 0 | 0 | 0 | 112.4 | G3 T4 K9 R10 | G3-F7 WeakPolarHBondContact O-CD2 3.15Å; G3-F7 PolarHBondContact O-N 3.01Å; T4-F7 PolarHBondContact O-N 3.18Å; T4-F7 VanDerWaalsContact O-N 3.16Å; F7-K9 PolarHBondContact O-N 3.29Å; F7-K9 VanDerWaalsContact O-N 3.13Å; F7-R10 VanDerWaalsContact CE1-NH1 3.25Å; F7-R10 WeakPolarHBondContact O-CB 3.5Å; F7-R10 WeakPolarHBondContact O-CG 3.39Å; F7-R10 PolarHBondContact O-N 3.3Å; F7-R10 VanDerWaalsContact O-N 3.15Å |
| 8 | G | 95.7 | Very high | 95.3 | Very high | 75 Ų | 75 | 108.1 Ų | 108.1 | 77% | 0.773 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -23 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | S6 R10 | S6-G8 VanDerWaalsContact C-N 3.34Å; S6-G8 PolarHBondContact O-N 3.49Å; G8-R10 PolarHBondContact O-N 3.15Å |
| 9 | K | 95.6 | Very high | 95.4 | Very high | 168 Ų | 168 | 113.4 Ų | 113.4 | 73% | 0.73 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -2.8 | -179.5 | -59.5 | -175.9 | 179 | -175.3 | 0 | 113.9 | S6 F7 R11 | S6-K9 PolarHBondContact O-N 3.41Å; F7-K9 PolarHBondContact O-N 3.29Å; F7-K9 VanDerWaalsContact O-N 3.13Å; K9-R11 VanDerWaalsContact C-N 3.29Å; K9-R11 PolarHBondContact O-N 3.2Å |
| 10 | R | 95.3 | Very high | 95.5 | Very high | 161 Ų | 161 | 112 Ų | 112 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | trans | -82.1 | 55.5 | -171.7 | -62.3 | -176.4 | 178.8 | -167.8 | 0.2 | 114.7 | F7 G8 K13 | F7-R10 VanDerWaalsContact CE1-NH1 3.25Å; F7-R10 WeakPolarHBondContact O-CB 3.5Å; F7-R10 WeakPolarHBondContact O-CG 3.39Å; F7-R10 PolarHBondContact O-N 3.3Å; F7-R10 VanDerWaalsContact O-N 3.15Å; G8-R10 PolarHBondContact O-N 3.15Å; R10-K13 PolarHBondContact O-NZ 3.07Å | ||
| 11 | R | 95.8 | Very high | 95.6 | Very high | 204 Ų | 204 | 109.1 Ų | 109.1 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | trans | -85 | -31.4 | 178.3 | 55.9 | -177.5 | 164.1 | 127.7 | -4.5 | 114.7 | K9 K13 | K9-R11 VanDerWaalsContact C-N 3.29Å; K9-R11 PolarHBondContact O-N 3.2Å; R11-K13 WeakPolarHBondContact O-CE 3.37Å | ||
| 12 | N | 95.6 | Very high | 96.1 | Very high | 138 Ų | 138 | 104.3 Ų | 104.3 | 74% | 0.738 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -78 | 136.3 | 180 | -61.2 | -26.3 | 0 | 0 | 0 | 111.3 | ||
| 13 | K | 95.8 | Very high | 96.3 | Very high | 128 Ų | 128 | 96.2 Ų | 96.2 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | trans | -106.9 | 119.8 | -178.6 | -51.8 | -53.7 | 174.4 | -165.9 | 0 | 110.3 | R10 R11 L28 | R10-K13 PolarHBondContact O-NZ 3.07Å; R11-K13 WeakPolarHBondContact O-CE 3.37Å; K13-L28 WeakPolarHBondContact O-CD1 3.48Å | ||
| 14 | T | 97.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 101.5 Ų | 101.5 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -79.5 | -35.2 | 176.3 | -47.3 | 0 | 0 | 0 | 0 | 112.3 | H27 L28 | T14-H27 WeakPolarHBondContact CG2-CE1 3.15Å; T14-H27 WeakPolarHBondContact CG2-NE2 3.28Å; T14-H27 WeakPolarHBondContact O-CA 3.39Å; T14-L28 PolarHBondContact O-N 3.28Å |
| 15 | H | 98.2 | Very high | 96.7 | Very high | 83 Ų | 83 | 96.2 Ų | 96.2 | 38% | 0.384 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.2 | -174.1 | -63.5 | 95.5 | 0 | 0 | 0 | 112.8 | K24 Y26 H27 | H15-K24 VanDerWaalsContact O-CE 3.25Å; H15-K24 WeakPolarHBondContact O-CE 3.43Å; H15-Y26 CarbonylContact C-O 3.47Å; H15-Y26 VanDerWaalsContact CA-O 3.23Å; H15-Y26 WeakPolarHBondContact CA-O 3.33Å; H15-H27 AromaticContact NE2-CD2 3.9Å |
| 16 | T | 97.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 95.6 Ų | 95.6 | 29% | 0.294 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 179.7 | 176.2 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | C18 K24 A25 Y26 L28 | T16-C18 PolarHBondContact O-N 2.96Å; T16-K24 CarbonylContact O-C 3.54Å; T16-K24 VanDerWaalsContact O-CA 3.28Å; T16-K24 WeakPolarHBondContact O-CA 3.49Å; T16-A25 PolarHBondContact O-N 2.77Å; T16-Y26 PolarHBondContact N-O 3.17Å; T16-Y26 WeakPolarHBondContact O-CB 3.31Å; T16-Y26 PolarHBondContact O-N 3.32Å; T16-L28 HydrophobicContact CG2-CD1 3.77Å; T16-L28 HydrophobicContact CG2-CD2 3.73Å; T16-L28 HydrophobicContact CG2-CG 3.81Å |
| 17 | L | 98.4 | Very high | 97.1 | Very high | 126 Ų | 126 | 94.7 Ų | 94.7 | 66% | 0.66 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 130.5 | 179 | -67.1 | 175.4 | 0 | 0 | 0 | 111.3 | G22 K24 | L17-G22 WeakPolarHBondContact CD2-O 3.43Å; L17-K24 HydrophobicContact CD2-CB 4.19Å |
| 18 | C | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 93.2 Ų | 93.2 | 2% | 0.02 | 46% | 0.464 | C | S | . | . | trans | -86.3 | 125.4 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | T16 R20 C21 G22 S23 C33 | T16-C18 PolarHBondContact O-N 2.96Å; C18-R20 PolarHBondContact O-N 3.11Å; C18-R20 VanDerWaalsContact O-N 3.17Å; C18-C21 PolarHBondContact O-N 2.96Å; C18-G22 WeakPolarHBondContact O-CA 3.47Å; C18-G22 PolarHBondContact O-N 3.14Å; C18-S23 WeakPolarHBondContact CB-O 3.07Å; C18-S23 PolarHBondContact N-O 3.35Å; C18-C33 HydrophobicContact CB-CB 4.3Å | ||
| 19 | R | 97.5 | Very high | 97.3 | Very high | 209 Ų | 209 | 98.1 Ų | 98.1 | 79% | 0.789 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.9 | 177.9 | -64.1 | -168.2 | -73.2 | -155 | -2.1 | 114.7 | Y38 | R19-Y38 PolarHBondContact NH2-OH 3.17Š|
| 20 | R | 97.5 | Very high | 97.4 | Very high | 86 Ų | 86 | 97.3 Ų | 97.3 | 33% | 0.325 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -43.9 | -177.2 | -173.4 | -174.6 | -67.9 | 164.5 | -2.9 | 113.6 | C18 Y38 P39 A40 | C18-R20 PolarHBondContact O-N 3.11Å; C18-R20 VanDerWaalsContact O-N 3.17Å; R20-Y38 HydrophobicContact CB-CD2 4.12Å; R20-Y38 HydrophobicContact CB-CG 4.43Å; R20-P39 PolarHBondContact NH2-O 2.77Å; R20-P39 VanDerWaalsContact NH2-O 3.16Å; R20-A40 PolarHBondContact NH1-O 3.33Å; R20-A40 PolarHBondContact NH2-O 3.45Å |
| 21 | C | 96.8 | Very high | 97.5 | Very high | 51 Ų | 51 | 92.7 Ų | 92.7 | 35% | 0.345 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -1.2 | -170.8 | 65 | 0 | 0 | 0 | 0 | 114.5 | C18 S23 C36 | C18-C21 PolarHBondContact O-N 2.96Å; C21-S23 PolarHBondContact O-N 2.97Å; C21-S23 PolarHBondContact SG-OG 3.44Å; C21-C36 HydrophobicContact CB-CB 3.86Å; C21-C36 PolarHBondContact SG-SG 3.21Å |
| 22 | G | 96.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 86.1 Ų | 86.1 | 56% | 0.557 | 44% | 0.438 | S | S | * | . | trans | 70.8 | -9.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L17 C18 | L17-G22 WeakPolarHBondContact CD2-O 3.43Å; C18-G22 WeakPolarHBondContact O-CA 3.47Å; C18-G22 PolarHBondContact O-N 3.14Å | ||
| 23 | S | 97.3 | Very high | 97.8 | Very high | 36 Ų | 36 | 79.6 Ų | 79.6 | 25% | 0.252 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -77.5 | 146.2 | 179.7 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | C18 C21 A25 K35 | C18-S23 WeakPolarHBondContact CB-O 3.07Å; C18-S23 PolarHBondContact N-O 3.35Å; C21-S23 PolarHBondContact O-N 2.97Å; C21-S23 PolarHBondContact SG-OG 3.44Å; S23-A25 PolarHBondContact O-N 3.48Å; S23-K35 WeakPolarHBondContact OG-CB 3.31Å |
| 24 | K | 98.2 | Very high | 97.8 | Very high | 143 Ų | 143 | 75.4 Ų | 75.4 | 62% | 0.622 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 70.1 | 170.3 | -169.4 | 178.3 | 177.8 | 172.5 | 0 | 111.9 | H15 T16 L17 | H15-K24 VanDerWaalsContact O-CE 3.25Å; H15-K24 WeakPolarHBondContact O-CE 3.43Å; T16-K24 CarbonylContact O-C 3.54Å; T16-K24 VanDerWaalsContact O-CA 3.28Å; T16-K24 WeakPolarHBondContact O-CA 3.49Å; L17-K24 HydrophobicContact CD2-CB 4.19Å |
| 25 | A | 97.9 | Very high | 97.8 | Very high | 18 Ų | 18 | 75.7 Ų | 75.7 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 8.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T16 S23 H27 C33 G34 K35 | T16-A25 PolarHBondContact O-N 2.77Å; S23-A25 PolarHBondContact O-N 3.48Å; A25-H27 PolarHBondContact O-N 2.91Å; A25-C33 CarbonylContact O-C 3.36Å; A25-C33 WeakPolarHBondContact O-CA 3.36Å; A25-G34 PolarHBondContact O-N 3.15Å; A25-K35 HydrophobicContact CB-CB 3.74Å |
| 26 | Y | 98.5 | Very high | 97.8 | Very high | 44 Ų | 44 | 72.3 Ų | 72.3 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 112.5 | 175 | -175 | -103.8 | 0 | 0 | 0 | 109.9 | H15 T16 L28 S31 C33 Y38 | H15-Y26 CarbonylContact C-O 3.47Å; H15-Y26 VanDerWaalsContact CA-O 3.23Å; H15-Y26 WeakPolarHBondContact CA-O 3.33Å; T16-Y26 PolarHBondContact N-O 3.17Å; T16-Y26 WeakPolarHBondContact O-CB 3.31Å; T16-Y26 PolarHBondContact O-N 3.32Å; Y26-L28 HydrophobicContact CD1-CD2 4.28Å; Y26-L28 HydrophobicContact CE1-CD2 4.39Å; Y26-S31 VanDerWaalsContact OH-CA 3.3Å; Y26-S31 WeakPolarHBondContact OH-CA 3.5Å; Y26-S31 WeakPolarHBondContact OH-CB 3.07Å; Y26-C33 HydrophobicContact CD2-CB 4.22Å; Y26-Y38 AromaticContact CD2-CD1 3.97Å; Y26-Y38 HydrophobicContact CD2-CD1 3.97Å; Y26-Y38 AromaticContact CE2-CD1 3.68Å; Y26-Y38 HydrophobicContact CE2-CD1 3.68Å; Y26-Y38 AromaticContact CE2-CE1 3.98Å; Y26-Y38 HydrophobicContact CE2-CE1 3.98Å |
| 27 | H | 98.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 70.6 Ų | 70.6 | 13% | 0.134 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.6 | 178.2 | -169.2 | -51.1 | 0 | 0 | 0 | 109.5 | T14 H15 A25 Q29 K30 S31 T32 | T14-H27 WeakPolarHBondContact CG2-CE1 3.15Å; T14-H27 WeakPolarHBondContact CG2-NE2 3.28Å; T14-H27 WeakPolarHBondContact O-CA 3.39Å; H15-H27 AromaticContact NE2-CD2 3.9Å; A25-H27 PolarHBondContact O-N 2.91Å; H27-Q29 PolarHBondContact ND1-N 3.09Å; H27-K30 HydrophobicContact CB-CB 4.25Å; H27-K30 PolarHBondContact ND1-N 2.91Å; H27-S31 WeakPolarHBondContact O-CA 3.32Å; H27-S31 PolarHBondContact O-N 3.45Å; H27-T32 VanDerWaalsContact CB-O 3.31Å; H27-T32 WeakPolarHBondContact CB-O 3.49Å; H27-T32 PolarHBondContact N-O 3.39Å; H27-T32 PolarHBondContact O-N 2.86Å |
| 28 | L | 97.7 | Very high | 97.8 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -56.9 | -172.7 | -70.3 | 175.5 | 0 | 0 | 0 | 112.5 | K13 T14 T16 Y26 S31 | K13-L28 WeakPolarHBondContact O-CD1 3.48Å; T14-L28 PolarHBondContact O-N 3.28Å; T16-L28 HydrophobicContact CG2-CD1 3.77Å; T16-L28 HydrophobicContact CG2-CD2 3.73Å; T16-L28 HydrophobicContact CG2-CG 3.81Å; Y26-L28 HydrophobicContact CD1-CD2 4.28Å; Y26-L28 HydrophobicContact CE1-CD2 4.39Å; L28-S31 PolarHBondContact O-N 3.4Å; L28-S31 PolarHBondContact O-OG 2.84Å |
| 29 | Q | 97.8 | Very high | 97.8 | Very high | 177 Ų | 177 | 70.3 Ų | 70.3 | 83% | 0.827 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -43.9 | -176.2 | -65.6 | 168.9 | -10.3 | 0 | 0 | 112.9 | H27 S31 | H27-Q29 PolarHBondContact ND1-N 3.09Å; Q29-S31 PolarHBondContact O-N 2.71Å |
| 30 | K | 97.9 | Very high | 97.8 | Very high | 152 Ų | 152 | 63 Ų | 63 | 66% | 0.661 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -1.5 | 178.1 | -63.6 | -175.5 | -179.6 | -173.9 | 0 | 113.7 | H27 T32 | H27-K30 HydrophobicContact CB-CB 4.25Å; H27-K30 PolarHBondContact ND1-N 2.91Å; K30-T32 WeakPolarHBondContact O-CB 3.34Å; K30-T32 PolarHBondContact O-N 3.16Å; K30-T32 PolarHBondContact O-OG1 2.84Å |
| 31 | S | 97.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 38.9 | -176.5 | -67.7 | 0 | 0 | 0 | 0 | 114.1 | Y26 H27 L28 Q29 P39 | Y26-S31 VanDerWaalsContact OH-CA 3.3Å; Y26-S31 WeakPolarHBondContact OH-CA 3.5Å; Y26-S31 WeakPolarHBondContact OH-CB 3.07Å; H27-S31 WeakPolarHBondContact O-CA 3.32Å; H27-S31 PolarHBondContact O-N 3.45Å; L28-S31 PolarHBondContact O-N 3.4Å; L28-S31 PolarHBondContact O-OG 2.84Å; Q29-S31 PolarHBondContact O-N 2.71Å; S31-P39 WeakPolarHBondContact O-CD 3.3Å |
| 32 | T | 98.3 | Very high | 97.8 | Very high | 66 Ų | 66 | 77 Ų | 77 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.6 | -170.7 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | H27 K30 Y38 | H27-T32 VanDerWaalsContact CB-O 3.31Å; H27-T32 WeakPolarHBondContact CB-O 3.49Å; H27-T32 PolarHBondContact N-O 3.39Å; H27-T32 PolarHBondContact O-N 2.86Å; K30-T32 WeakPolarHBondContact O-CB 3.34Å; K30-T32 PolarHBondContact O-N 3.16Å; K30-T32 PolarHBondContact O-OG1 2.84Å; T32-Y38 CarbonylContact C-O 3.26Å; T32-Y38 VanDerWaalsContact CA-O 3.32Å; T32-Y38 WeakPolarHBondContact CA-O 3.39Å |
| 33 | C | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 114.8 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | C18 A25 Y26 K35 C36 G37 Y38 | C18-C33 HydrophobicContact CB-CB 4.3Å; A25-C33 CarbonylContact O-C 3.36Å; A25-C33 WeakPolarHBondContact O-CA 3.36Å; Y26-C33 HydrophobicContact CD2-CB 4.22Å; C33-K35 PolarHBondContact O-N 2.98Å; C33-K35 VanDerWaalsContact O-N 3.14Å; C33-K35 PolarHBondContact SG-N 2.96Å; C33-K35 VanDerWaalsContact SG-N 3.41Å; C33-C36 PolarHBondContact SG-N 3.25Å; C33-C36 VanDerWaalsContact SG-SG 3.66Å; C33-G37 VanDerWaalsContact O-CA 3.28Å; C33-G37 WeakPolarHBondContact O-CA 3.36Å; C33-G37 PolarHBondContact O-N 3.48Å; C33-Y38 PolarHBondContact N-O 3.23Å |
| 34 | G | 97.5 | Very high | 97.8 | Very high | 40 Ų | 40 | 85.7 Ų | 85.7 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -10.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A25 R44 | A25-G34 PolarHBondContact O-N 3.15Å; G34-R44 PolarHBondContact O-NE 3.3Å; G34-R44 PolarHBondContact O-NH1 3.42Å; G34-R44 PolarHBondContact O-NH2 2.85Å |
| 35 | K | 97.7 | Very high | 97.7 | Very high | 78 Ų | 78 | 86.1 Ų | 86.1 | 34% | 0.339 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -65.2 | 175.1 | -175.9 | 68.6 | 170.1 | -164.6 | 0 | 111.9 | S23 A25 C33 R44 | S23-K35 WeakPolarHBondContact OG-CB 3.31Å; A25-K35 HydrophobicContact CB-CB 3.74Å; C33-K35 PolarHBondContact O-N 2.98Å; C33-K35 VanDerWaalsContact O-N 3.14Å; C33-K35 PolarHBondContact SG-N 2.96Å; C33-K35 VanDerWaalsContact SG-N 3.41Å; K35-R44 PolarHBondContact O-NE 2.74Å; K35-R44 VanDerWaalsContact O-NE 3.13Å |
| 36 | C | 97.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 90.1 Ų | 90.1 | 8% | 0.081 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -5.3 | -169.8 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | C21 C33 K43 R44 | C21-C36 HydrophobicContact CB-CB 3.86Å; C21-C36 PolarHBondContact SG-SG 3.21Å; C33-C36 PolarHBondContact SG-N 3.25Å; C33-C36 VanDerWaalsContact SG-SG 3.66Å; C36-K43 WeakPolarHBondContact O-CA 3.41Å; C36-R44 PolarHBondContact O-N 3.04Å |
| 37 | G | 97.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 93.9 Ų | 93.9 | 11% | 0.113 | 46% | 0.456 | C | S | . | . | trans | 80.7 | 8.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | C33 A40 | C33-G37 VanDerWaalsContact O-CA 3.28Å; C33-G37 WeakPolarHBondContact O-CA 3.36Å; C33-G37 PolarHBondContact O-N 3.48Å; G37-A40 WeakPolarHBondContact O-CB 3.35Å; G37-A40 PolarHBondContact O-N 2.89Å | ||
| 38 | Y | 98 | Very high | 97.6 | Very high | 49 Ų | 49 | 102.1 Ų | 102.1 | 19% | 0.192 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 132.5 | 171.2 | 178.4 | -95.5 | 0 | 0 | 0 | 110.4 | R19 R20 Y26 T32 C33 | R19-Y38 PolarHBondContact NH2-OH 3.17Å; R20-Y38 HydrophobicContact CB-CD2 4.12Å; R20-Y38 HydrophobicContact CB-CG 4.43Å; Y26-Y38 AromaticContact CD2-CD1 3.97Å; Y26-Y38 HydrophobicContact CD2-CD1 3.97Å; Y26-Y38 AromaticContact CE2-CD1 3.68Å; Y26-Y38 HydrophobicContact CE2-CD1 3.68Å; Y26-Y38 AromaticContact CE2-CE1 3.98Å; Y26-Y38 HydrophobicContact CE2-CE1 3.98Å; T32-Y38 CarbonylContact C-O 3.26Å; T32-Y38 VanDerWaalsContact CA-O 3.32Å; T32-Y38 WeakPolarHBondContact CA-O 3.39Å; C33-Y38 PolarHBondContact N-O 3.23Å |
| 39 | P | 97.6 | Very high | 97.5 | Very high | 75 Ų | 75 | 99.8 Ų | 99.8 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.9 | -6.9 | 15 | 32.6 | -37.8 | 0 | 0 | 0 | 116.3 | R20 S31 K41 | R20-P39 PolarHBondContact NH2-O 2.77Å; R20-P39 VanDerWaalsContact NH2-O 3.16Å; S31-P39 WeakPolarHBondContact O-CD 3.3Å; P39-K41 PolarHBondContact O-N 2.95Å |
| 40 | A | 97.9 | Very high | 97.5 | Very high | 54 Ų | 54 | 94.5 Ų | 94.5 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -49.2 | 139.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R20 G37 R42 | R20-A40 PolarHBondContact NH1-O 3.33Å; R20-A40 PolarHBondContact NH2-O 3.45Å; G37-A40 WeakPolarHBondContact O-CB 3.35Å; G37-A40 PolarHBondContact O-N 2.89Å; A40-R42 VanDerWaalsContact C-N 3.35Å; A40-R42 PolarHBondContact O-N 3.28Å |
| 41 | K | 97.3 | Very high | 97.5 | Very high | 210 Ų | 210 | 94 Ų | 94 | 91% | 0.913 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -59.6 | -45 | -176 | -64.8 | -179.1 | -179.5 | 178.6 | 0 | 111.5 | P39 | P39-K41 PolarHBondContact O-N 2.95Š|
| 42 | R | 96.9 | Very high | 97.5 | Very high | 222 Ų | 222 | 92.4 Ų | 92.4 | 84% | 0.838 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -80.3 | 138 | 177.7 | -63.2 | 179.4 | 72.1 | 179.9 | 3.7 | 110.8 | A40 | A40-R42 VanDerWaalsContact C-N 3.35Å; A40-R42 PolarHBondContact O-N 3.28Å |
| 43 | K | 96.4 | Very high | 97.4 | Very high | 159 Ų | 159 | 92.8 Ų | 92.8 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 132.4 | 171.5 | -72.2 | -176.1 | -179.3 | 176.5 | 0 | 109.9 | C36 K45 | C36-K43 WeakPolarHBondContact O-CA 3.41Å; K43-K45 PolarHBondContact O-N 3.21Å |
| 44 | R | 97.5 | Very high | 97.4 | Very high | 114 Ų | 114 | 101 Ų | 101 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 123.5 | 174.8 | -167.5 | -175.8 | 79.2 | 135.3 | 10 | 110.6 | G34 K35 C36 Y46 | G34-R44 PolarHBondContact O-NE 3.3Å; G34-R44 PolarHBondContact O-NH1 3.42Å; G34-R44 PolarHBondContact O-NH2 2.85Å; K35-R44 PolarHBondContact O-NE 2.74Å; K35-R44 VanDerWaalsContact O-NE 3.13Å; C36-R44 PolarHBondContact O-N 3.04Å; R44-Y46 HydrophobicContact CG-CD2 4.48Å; R44-Y46 HydrophobicContact CG-CE2 3.79Å |
| 45 | K | 97.1 | Very high | 97.4 | Very high | 152 Ų | 152 | 106.2 Ų | 106.2 | 66% | 0.661 | 49% | 0.485 | S | S | * | . | trans | -140.6 | 134.6 | 174.9 | -173.2 | 179.8 | 72 | 176.1 | 0 | 108.5 | K43 K53 | K43-K45 PolarHBondContact O-N 3.21Å; K45-K53 HydrophobicContact CD-CD 4.23Å; K45-K53 HydrophobicContact CD-CG 4.26Å; K45-K53 HydrophobicContact CG-CD 4.21Å; K45-K53 HydrophobicContact CG-CG 4Å | ||
| 46 | Y | 97.3 | Very high | 97.3 | Very high | 102 Ų | 102 | 107.3 Ų | 107.3 | 40% | 0.4 | 50% | 0.495 | S | S | . | . | trans | -121.4 | 138.7 | 173.2 | -61.7 | -63 | 0 | 0 | 0 | 110.6 | R44 W48 S49 | R44-Y46 HydrophobicContact CG-CD2 4.48Å; R44-Y46 HydrophobicContact CG-CE2 3.79Å; Y46-W48 VanDerWaalsContact CB-NE1 3.34Å; Y46-W48 AromaticContact CD1-NE1 3.9Å; Y46-W48 AromaticContact CD2-CZ2 3.74Å; Y46-W48 HydrophobicContact CD2-CZ2 3.74Å; Y46-W48 HydrophobicContact CE2-CZ2 4.38Å; Y46-W48 AromaticContact CG-CE2 3.86Å; Y46-W48 HydrophobicContact CG-CZ2 4.04Å; Y46-W48 AromaticContact CG-NE1 3.55Å; Y46-S49 PolarHBondContact O-N 3.46Å | ||
| 47 | N | 97.3 | Very high | 97.2 | Very high | 122 Ų | 122 | 110.4 Ų | 110.4 | 65% | 0.652 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -32.4 | -175.6 | -71.3 | -23.7 | 0 | 0 | 0 | 112.5 | S49 K53 | N47-S49 PolarHBondContact O-N 3.17Å; N47-K53 PolarHBondContact O-NZ 3.43Å; N47-K53 VanDerWaalsContact O-NZ 3.09Å |
| 48 | W | 97.6 | Very high | 97.1 | Very high | 203 Ų | 203 | 115.4 Ų | 115.4 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.8 | 176 | 58.8 | -105.9 | 0 | 0 | 0 | 113.8 | Y46 | Y46-W48 VanDerWaalsContact CB-NE1 3.34Å; Y46-W48 AromaticContact CD1-NE1 3.9Å; Y46-W48 AromaticContact CD2-CZ2 3.74Å; Y46-W48 HydrophobicContact CD2-CZ2 3.74Å; Y46-W48 HydrophobicContact CE2-CZ2 4.38Å; Y46-W48 AromaticContact CG-CE2 3.86Å; Y46-W48 HydrophobicContact CG-CZ2 4.04Å; Y46-W48 AromaticContact CG-NE1 3.55Å |
| 49 | S | 96.7 | Very high | 97 | Very high | 34 Ų | 34 | 114.9 Ų | 114.9 | 24% | 0.238 | 55% | 0.552 | C | S | . | * | trans | -104.4 | 73.5 | -178.7 | -158.9 | 0 | 0 | 0 | 0 | 112.9 | Y46 N47 K51 A52 K53 | Y46-S49 PolarHBondContact O-N 3.46Å; N47-S49 PolarHBondContact O-N 3.17Å; S49-K51 PolarHBondContact O-N 3.16Å; S49-A52 PolarHBondContact O-N 3.13Å; S49-A52 WeakPolarHBondContact OG-CB 3.38Å; S49-K53 PolarHBondContact O-N 3.45Å; S49-K53 VanDerWaalsContact O-N 3.1Å | ||
| 50 | A | 97.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 115.6 Ų | 115.6 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57 | -47.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A52 K53 R54 | A50-A52 VanDerWaalsContact C-N 3.3Å; A50-A52 PolarHBondContact O-N 3.3Å; A50-K53 WeakPolarHBondContact O-CB 3.23Å; A50-K53 PolarHBondContact O-N 3.42Å; A50-R54 PolarHBondContact O-N 2.99Å |
| 51 | K | 97.9 | Very high | 96.9 | Very high | 142 Ų | 142 | 115.3 Ų | 115.3 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.6 | -34.1 | 178.5 | -67.3 | -177.5 | -179.1 | 176.3 | 0 | 112.3 | S49 R55 | S49-K51 PolarHBondContact O-N 3.16Å; K51-R55 WeakPolarHBondContact O-CG 3.42Å; K51-R55 PolarHBondContact O-N 3.41Å; K51-R55 PolarHBondContact O-NH1 2.83Å |
| 52 | A | 97.2 | Very high | 96.8 | Very high | 29 Ų | 29 | 114.3 Ų | 114.3 | 24% | 0.24 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | S49 A50 R55 N56 | S49-A52 PolarHBondContact O-N 3.13Å; S49-A52 WeakPolarHBondContact OG-CB 3.38Å; A50-A52 VanDerWaalsContact C-N 3.3Å; A50-A52 PolarHBondContact O-N 3.3Å; A52-R55 PolarHBondContact O-N 2.86Å; A52-N56 PolarHBondContact O-ND2 2.92Å; A52-N56 VanDerWaalsContact O-ND2 3.16Å |
| 53 | K | 96.9 | Very high | 96.9 | Very high | 74 Ų | 74 | 106.8 Ų | 106.8 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.2 | -52.7 | 171.5 | -68.7 | -177.8 | -63 | -172.3 | 0 | 110.2 | K45 N47 S49 A50 R55 N56 T57 | K45-K53 HydrophobicContact CD-CD 4.23Å; K45-K53 HydrophobicContact CD-CG 4.26Å; K45-K53 HydrophobicContact CG-CD 4.21Å; K45-K53 HydrophobicContact CG-CG 4Å; N47-K53 PolarHBondContact O-NZ 3.43Å; N47-K53 VanDerWaalsContact O-NZ 3.09Å; S49-K53 PolarHBondContact O-N 3.45Å; S49-K53 VanDerWaalsContact O-N 3.1Å; A50-K53 WeakPolarHBondContact O-CB 3.23Å; A50-K53 PolarHBondContact O-N 3.42Å; K53-R55 VanDerWaalsContact C-N 3.3Å; K53-R55 PolarHBondContact O-N 3.14Å; K53-N56 PolarHBondContact O-N 3.48Å; K53-N56 VanDerWaalsContact O-N 3.1Å; K53-T57 WeakPolarHBondContact O-CB 3.28Å; K53-T57 PolarHBondContact O-N 2.84Å |
| 54 | R | 97.2 | Very high | 96.9 | Very high | 174 Ų | 174 | 107.5 Ų | 107.5 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -54.7 | -40.8 | -179.6 | -171.1 | 178.9 | 70.9 | 179 | 4.2 | 113.5 | A50 N56 T60 | A50-R54 PolarHBondContact O-N 2.99Å; R54-N56 VanDerWaalsContact C-N 3.33Å; R54-N56 PolarHBondContact O-N 2.93Å; R54-T60 VanDerWaalsContact O-CG2 3.3Å; R54-T60 WeakPolarHBondContact O-CG2 3.47Å |
| 55 | R | 96.9 | Very high | 96.9 | Very high | 149 Ų | 149 | 108.7 Ų | 108.7 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.6 | -26.8 | -178.9 | -69.3 | -179.1 | -168.1 | 108.3 | -11.8 | 114.1 | K51 A52 K53 T60 | K51-R55 WeakPolarHBondContact O-CG 3.42Å; K51-R55 PolarHBondContact O-N 3.41Å; K51-R55 PolarHBondContact O-NH1 2.83Å; A52-R55 PolarHBondContact O-N 2.86Å; K53-R55 VanDerWaalsContact C-N 3.3Å; K53-R55 PolarHBondContact O-N 3.14Å; R55-T60 PolarHBondContact O-OG1 3.5Å |
| 56 | N | 95.6 | Very high | 96.9 | Very high | 101 Ų | 101 | 104.3 Ų | 104.3 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -124.1 | 7.7 | -171 | -59.3 | -78.6 | 0 | 0 | 0 | 114 | A52 K53 R54 | A52-N56 PolarHBondContact O-ND2 2.92Å; A52-N56 VanDerWaalsContact O-ND2 3.16Å; K53-N56 PolarHBondContact O-N 3.48Å; K53-N56 VanDerWaalsContact O-N 3.1Å; R54-N56 VanDerWaalsContact C-N 3.33Å; R54-N56 PolarHBondContact O-N 2.93Å |
| 57 | T | 96.1 | Very high | 96.8 | Very high | 78 Ų | 78 | 105.4 Ų | 105.4 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -70.3 | 159.4 | 178.4 | -169.3 | 0 | 0 | 0 | 0 | 111 | K53 G59 T60 | K53-T57 WeakPolarHBondContact O-CB 3.28Å; K53-T57 PolarHBondContact O-N 2.84Å; T57-G59 PolarHBondContact O-N 2.93Å; T57-T60 HydrophobicContact CG2-CG2 4.31Å; T57-T60 PolarHBondContact O-N 3.04Å; T57-T60 PolarHBondContact O-OG1 2.85Å |
| 58 | T | 95.9 | Very high | 96.8 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 132.8 | 168 | -54 | 0 | 0 | 0 | 0 | 109 | L66 | T58-L66 HydrophobicContact CG2-CD1 3.88Š|
| 59 | G | 95.8 | Very high | 96.8 | Very high | 39 Ų | 39 | 97.7 Ų | 97.7 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.3 | -42.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T57 G61 M63 | T57-G59 PolarHBondContact O-N 2.93Å; G59-G61 VanDerWaalsContact C-N 3.34Å; G59-G61 PolarHBondContact O-N 2.93Å; G59-M63 VanDerWaalsContact CA-SD 3.53Å |
| 60 | T | 96.6 | Very high | 96.8 | Very high | 89 Ų | 89 | 102.2 Ų | 102.2 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -76.9 | -20.4 | -173.3 | 64 | 0 | 0 | 0 | 0 | 114.1 | R54 R55 T57 | R54-T60 VanDerWaalsContact O-CG2 3.3Å; R54-T60 WeakPolarHBondContact O-CG2 3.47Å; R55-T60 PolarHBondContact O-OG1 3.5Å; T57-T60 HydrophobicContact CG2-CG2 4.31Å; T57-T60 PolarHBondContact O-N 3.04Å; T57-T60 PolarHBondContact O-OG1 2.85Å |
| 61 | G | 95.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 106.3 Ų | 106.3 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -88.3 | -170.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G59 M63 | G59-G61 VanDerWaalsContact C-N 3.34Å; G59-G61 PolarHBondContact O-N 2.93Å; G61-M63 PolarHBondContact O-N 3.08Å; G61-M63 VanDerWaalsContact O-N 3.16Å |
| 62 | R | 97 | Very high | 96.6 | Very high | 188 Ų | 188 | 104.6 Ų | 104.6 | 71% | 0.709 | 50% | 0.495 | S | S | * | . | trans | -63.5 | -23.9 | -177 | -66.3 | 179.4 | 172 | 172.9 | -4.1 | 114.5 | R64 | R62-R64 HydrophobicContact CB-CG 3.97Å; R62-R64 PolarHBondContact O-N 3.43Å; R62-R64 VanDerWaalsContact O-N 3.15Å | ||
| 63 | M | 97.4 | Very high | 96.6 | Very high | 64 Ų | 64 | 109.5 Ų | 109.5 | 32% | 0.315 | 51% | 0.511 | S | S | . | . | trans | 47.8 | 38.9 | -177.4 | -62.6 | -156.2 | -71.7 | 0 | 0 | 114.3 | G59 G61 H65 L66 K67 | G59-M63 VanDerWaalsContact CA-SD 3.53Å; G61-M63 PolarHBondContact O-N 3.08Å; G61-M63 VanDerWaalsContact O-N 3.16Å; M63-H65 VanDerWaalsContact C-N 3.32Å; M63-H65 PolarHBondContact O-N 3.15Å; M63-L66 PolarHBondContact O-N 3.35Å; M63-K67 HydrophobicContact CB-CD 4.2Å; M63-K67 HydrophobicContact CB-CG 3.94Å; M63-K67 WeakPolarHBondContact O-CB 3.41Å; M63-K67 VanDerWaalsContact O-CG 3.31Å; M63-K67 WeakPolarHBondContact O-CG 3.43Å; M63-K67 PolarHBondContact O-N 3Å | ||
| 64 | R | 96.9 | Very high | 96.6 | Very high | 175 Ų | 175 | 115.5 Ų | 115.5 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -54.3 | -44.3 | -172.1 | -69.3 | -178.5 | 173.4 | 175.4 | -6.5 | 113.6 | R62 | R62-R64 HydrophobicContact CB-CG 3.97Å; R62-R64 PolarHBondContact O-N 3.43Å; R62-R64 VanDerWaalsContact O-N 3.15Å |
| 65 | H | 97.3 | Very high | 96.4 | Very high | 139 Ų | 139 | 112 Ų | 112 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.3 | -55.7 | -179.8 | 179.4 | 72.2 | 0 | 0 | 0 | 111.5 | M63 K67 K68 V69 | M63-H65 VanDerWaalsContact C-N 3.32Å; M63-H65 PolarHBondContact O-N 3.15Å; H65-K67 VanDerWaalsContact C-N 3.29Å; H65-K67 PolarHBondContact O-N 3.39Å; H65-K68 WeakPolarHBondContact O-CA 3.3Å; H65-K68 WeakPolarHBondContact O-CB 3.25Å; H65-K68 PolarHBondContact O-N 3.09Å; H65-V69 VanDerWaalsContact NE2-CG2 3.34Å; H65-V69 WeakPolarHBondContact NE2-CG2 3.16Å; H65-V69 WeakPolarHBondContact O-CG2 3.45Å; H65-V69 PolarHBondContact O-N 2.78Å |
| 66 | L | 97.3 | Very high | 96.3 | Very high | 59 Ų | 59 | 107.7 Ų | 107.7 | 31% | 0.309 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.4 | -37.8 | -176.3 | -67.5 | 177.3 | 0 | 0 | 0 | 113.3 | T58 M63 K68 V69 Y70 | T58-L66 HydrophobicContact CG2-CD1 3.88Å; M63-L66 PolarHBondContact O-N 3.35Å; L66-K68 VanDerWaalsContact C-N 3.32Å; L66-K68 PolarHBondContact O-N 3.35Å; L66-V69 PolarHBondContact O-N 3.25Å; L66-Y70 HydrophobicContact CB-CD2 4.38Å; L66-Y70 HydrophobicContact CB-CE2 4.01Å; L66-Y70 WeakPolarHBondContact O-CD2 3.4Å; L66-Y70 PolarHBondContact O-N 3.37Å |
| 67 | K | 96.6 | Very high | 96.3 | Very high | 125 Ų | 125 | 107.6 Ų | 107.6 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 175 | -75.6 | 177.2 | 174.4 | -179.5 | 0 | 112.3 | M63 H65 R71 | M63-K67 HydrophobicContact CB-CD 4.2Å; M63-K67 HydrophobicContact CB-CG 3.94Å; M63-K67 WeakPolarHBondContact O-CB 3.41Å; M63-K67 VanDerWaalsContact O-CG 3.31Å; M63-K67 WeakPolarHBondContact O-CG 3.43Å; M63-K67 PolarHBondContact O-N 3Å; H65-K67 VanDerWaalsContact C-N 3.29Å; H65-K67 PolarHBondContact O-N 3.39Å; K67-R71 PolarHBondContact O-N 3.35Å |
| 68 | K | 96.4 | Very high | 96.1 | Very high | 126 Ų | 126 | 112.6 Ų | 112.6 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 175.4 | -68.4 | -176.6 | 178.5 | -174.1 | 0 | 111 | H65 L66 R71 R72 | H65-K68 WeakPolarHBondContact O-CA 3.3Å; H65-K68 WeakPolarHBondContact O-CB 3.25Å; H65-K68 PolarHBondContact O-N 3.09Å; L66-K68 VanDerWaalsContact C-N 3.32Å; L66-K68 PolarHBondContact O-N 3.35Å; K68-R71 PolarHBondContact O-N 3.22Å; K68-R72 WeakPolarHBondContact O-CG 3.43Å; K68-R72 PolarHBondContact O-N 3.43Å |
| 69 | V | 96.8 | Very high | 95.9 | Very high | 38 Ų | 38 | 114.3 Ų | 114.3 | 23% | 0.23 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 177.1 | 174.1 | 0 | 0 | 0 | 0 | 111 | H65 L66 R71 R72 F73 F77 | H65-V69 VanDerWaalsContact NE2-CG2 3.34Å; H65-V69 WeakPolarHBondContact NE2-CG2 3.16Å; H65-V69 WeakPolarHBondContact O-CG2 3.45Å; H65-V69 PolarHBondContact O-N 2.78Å; L66-V69 PolarHBondContact O-N 3.25Å; V69-R71 VanDerWaalsContact C-N 3.28Å; V69-R71 PolarHBondContact O-N 3.01Å; V69-R72 CarbonylContact O-C 3.59Å; V69-R72 PolarHBondContact O-N 3.22Å; V69-R72 VanDerWaalsContact O-N 3.11Å; V69-F73 WeakPolarHBondContact O-CB 3.46Å; V69-F73 PolarHBondContact O-N 3.1Å; V69-F77 HydrophobicContact CG1-CE1 4.22Å |
| 70 | Y | 96.9 | Very high | 95.6 | Very high | 129 Ų | 129 | 116.6 Ų | 116.6 | 51% | 0.506 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.2 | -34.9 | 178.2 | -68.2 | -50.1 | 0 | 0 | 0 | 113 | L66 R74 | L66-Y70 HydrophobicContact CB-CD2 4.38Å; L66-Y70 HydrophobicContact CB-CE2 4.01Å; L66-Y70 WeakPolarHBondContact O-CD2 3.4Å; L66-Y70 PolarHBondContact O-N 3.37Å; Y70-R74 WeakPolarHBondContact O-CG 3.15Å; Y70-R74 PolarHBondContact O-N 3.21Å |
| 71 | R | 95.8 | Very high | 95.2 | Very high | 151 Ų | 151 | 116.6 Ų | 116.6 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.5 | -44.6 | 172.5 | -176.3 | -179.6 | 64.4 | -165.6 | 4.4 | 111.8 | K67 K68 V69 R74 N75 | K67-R71 PolarHBondContact O-N 3.35Å; K68-R71 PolarHBondContact O-N 3.22Å; V69-R71 VanDerWaalsContact C-N 3.28Å; V69-R71 PolarHBondContact O-N 3.01Å; R71-R74 PolarHBondContact O-N 3.16Å; R71-N75 PolarHBondContact O-N 3.41Å |
| 72 | R | 95.6 | Very high | 94.8 | Very high | 105 Ų | 105 | 120.5 Ų | 120.5 | 40% | 0.396 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.2 | -42.9 | 175.1 | -72.1 | 179.2 | 69.6 | 179.3 | 5.7 | 111.3 | K68 V69 R74 N75 G76 F77 E79 | K68-R72 WeakPolarHBondContact O-CG 3.43Å; K68-R72 PolarHBondContact O-N 3.43Å; V69-R72 CarbonylContact O-C 3.59Å; V69-R72 PolarHBondContact O-N 3.22Å; V69-R72 VanDerWaalsContact O-N 3.11Å; R72-R74 PolarHBondContact O-N 3.46Å; R72-N75 CarbonylContact O-C 3.51Å; R72-N75 VanDerWaalsContact O-C 3.26Å; R72-N75 WeakPolarHBondContact O-CA 3.43Å; R72-N75 PolarHBondContact O-N 3.1Å; R72-G76 PolarHBondContact O-N 3.24Å; R72-G76 VanDerWaalsContact O-N 3.14Å; R72-F77 HydrophobicContact CB-CD1 3.82Å; R72-F77 HydrophobicContact CB-CE1 4.27Å; R72-F77 WeakPolarHBondContact O-CA 3.43Å; R72-F77 PolarHBondContact O-N 2.95Å; R72-E79 IonicContact CZ-OE2 3.96Å; R72-E79 IonicContact NH2-OE2 2.8Å; R72-E79 PolarHBondContact NH2-OE2 3.15Å |
| 73 | F | 97.1 | Very high | 94.3 | Very high | 133 Ų | 133 | 117.2 Ų | 117.2 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.1 | -48.3 | 177.9 | 175.2 | -97 | 0 | 0 | 0 | 111.6 | V69 N75 G76 F77 | V69-F73 WeakPolarHBondContact O-CB 3.46Å; V69-F73 PolarHBondContact O-N 3.1Å; F73-N75 PolarHBondContact O-N 3.23Å; F73-G76 PolarHBondContact O-N 3.45Å; F73-F77 HydrophobicContact CB-CE1 4.08Å; F73-F77 HydrophobicContact CB-CE2 4.21Å; F73-F77 HydrophobicContact CB-CZ 3.73Å; F73-F77 AromaticContact CD2-CE2 3.52Å; F73-F77 HydrophobicContact CD2-CE2 3.52Å; F73-F77 AromaticContact CD2-CZ 3.62Å; F73-F77 HydrophobicContact CD2-CZ 3.62Å; F73-F77 HydrophobicContact CE2-CE2 4.39Å; F73-F77 HydrophobicContact CG-CE2 4.34Å; F73-F77 HydrophobicContact CG-CZ 4.17Å |
| 74 | R | 96.6 | Very high | 93.8 | Very high | 200 Ų | 200 | 122.9 Ų | 122.9 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.9 | -25 | 175.2 | -70.9 | -176.2 | -173.5 | 113.7 | -1.2 | 113.7 | Y70 R71 R72 | Y70-R74 WeakPolarHBondContact O-CG 3.15Å; Y70-R74 PolarHBondContact O-N 3.21Å; R71-R74 PolarHBondContact O-N 3.16Å; R72-R74 PolarHBondContact O-N 3.46Å |
| 75 | N | 93.6 | Very high | 93.4 | Very high | 101 Ų | 101 | 119.8 Ų | 119.8 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | 16 | 177.2 | -62.5 | -10.3 | 0 | 0 | 0 | 112.3 | R71 R72 F73 F77 R78 | R71-N75 PolarHBondContact O-N 3.41Å; R72-N75 CarbonylContact O-C 3.51Å; R72-N75 VanDerWaalsContact O-C 3.26Å; R72-N75 WeakPolarHBondContact O-CA 3.43Å; R72-N75 PolarHBondContact O-N 3.1Å; F73-N75 PolarHBondContact O-N 3.23Å; N75-F77 VanDerWaalsContact C-N 3.34Å; N75-F77 PolarHBondContact O-N 3.21Å; N75-R78 VanDerWaalsContact O-CD 3.25Å; N75-R78 WeakPolarHBondContact O-CD 3.33Å; N75-R78 WeakPolarHBondContact O-CG 3.12Å; N75-R78 PolarHBondContact O-N 3.46Å |
| 76 | G | 95.1 | Very high | 92.7 | Very high | 57 Ų | 57 | 123.2 Ų | 123.2 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.1 | 26.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | R72 F73 R78 | R72-G76 PolarHBondContact O-N 3.24Å; R72-G76 VanDerWaalsContact O-N 3.14Å; F73-G76 PolarHBondContact O-N 3.45Å; G76-R78 PolarHBondContact O-N 3.48Å |
| 77 | F | 95.2 | Very high | 92 | Very high | 99 Ų | 99 | 131.2 Ų | 131.2 | 43% | 0.434 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 53.8 | 20.3 | -175.4 | -61.7 | -74.5 | 0 | 0 | 0 | 115.6 | V69 R72 F73 N75 E79 | V69-F77 HydrophobicContact CG1-CE1 4.22Å; R72-F77 HydrophobicContact CB-CD1 3.82Å; R72-F77 HydrophobicContact CB-CE1 4.27Å; R72-F77 WeakPolarHBondContact O-CA 3.43Å; R72-F77 PolarHBondContact O-N 2.95Å; F73-F77 HydrophobicContact CB-CE1 4.08Å; F73-F77 HydrophobicContact CB-CE2 4.21Å; F73-F77 HydrophobicContact CB-CZ 3.73Å; F73-F77 AromaticContact CD2-CE2 3.52Å; F73-F77 HydrophobicContact CD2-CE2 3.52Å; F73-F77 AromaticContact CD2-CZ 3.62Å; F73-F77 HydrophobicContact CD2-CZ 3.62Å; F73-F77 HydrophobicContact CE2-CE2 4.39Å; F73-F77 HydrophobicContact CG-CE2 4.34Å; F73-F77 HydrophobicContact CG-CZ 4.17Å; N75-F77 VanDerWaalsContact C-N 3.34Å; N75-F77 PolarHBondContact O-N 3.21Å; F77-E79 PolarHBondContact O-N 3.24Å |
| 78 | R | 91.8 | Very high | 91 | Very high | 184 Ų | 184 | 129.5 Ų | 129.5 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | trans | -47.7 | 134.8 | 177.5 | -68.9 | 170.5 | 74 | 173.3 | 7.3 | 111.6 | N75 G76 | N75-R78 VanDerWaalsContact O-CD 3.25Å; N75-R78 WeakPolarHBondContact O-CD 3.33Å; N75-R78 WeakPolarHBondContact O-CG 3.12Å; N75-R78 PolarHBondContact O-N 3.46Å; G76-R78 PolarHBondContact O-N 3.48Å | ||
| 79 | E | 92.5 | Very high | 89.9 | Confident | 151 Ų | 151 | 128.4 Ų | 128.4 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | trans | -139.4 | 157.9 | -175.9 | -170.4 | 157.7 | 175.2 | 0 | 0 | 109.3 | R72 F77 T81 | R72-E79 IonicContact CZ-OE2 3.96Å; R72-E79 IonicContact NH2-OE2 2.8Å; R72-E79 PolarHBondContact NH2-OE2 3.15Å; F77-E79 PolarHBondContact O-N 3.24Å; E79-T81 PolarHBondContact O-N 3.13Å | ||
| 80 | G | 89.5 | Confident | 88.4 | Confident | 86 Ų | 86 | 133.1 Ų | 133.1 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 70.6 | -5.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 81 | T | 88.3 | Confident | 86.9 | Confident | 90 Ų | 90 | 131.1 Ų | 131.1 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 136 | 179.4 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | E79 | E79-T81 PolarHBondContact O-N 3.13Š|
| 82 | T | 87 | Confident | 85.5 | Confident | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 147.9 | 168 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 83 | P | 86.2 | Confident | 84 | Confident | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 140 | 172 | -21.3 | 33.1 | 0 | 0 | 0 | 111 | ||
| 84 | K | 88 | Confident | 82.4 | Confident | 184 Ų | 184 | 128.3 Ų | 128.3 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 130.8 | 174.1 | -172.7 | 178.7 | -178.7 | 177.7 | 0 | 109.3 | ||
| 85 | P | 88.2 | Confident | 81 | Confident | 109 Ų | 109 | 124.4 Ų | 124.4 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141 | 178.2 | 25.4 | -34.1 | 0 | 0 | 0 | 110.2 | R87 | P85-R87 PolarHBondContact O-N 3.15Š|
| 86 | K | 83 | Confident | 79.2 | Confident | 211 Ų | 211 | 128.8 Ų | 128.8 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 121.2 | 174.1 | -65.6 | -176 | 179.6 | -177 | 0 | 108.4 | ||
| 87 | R | 81.2 | Confident | 78.5 | Confident | 227 Ų | 227 | 132.4 Ų | 132.4 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 135.3 | 167.6 | -65.8 | -172.9 | 175.8 | -163.7 | -2.1 | 108.1 | P85 A89 | P85-R87 PolarHBondContact O-N 3.15Å; R87-A89 PolarHBondContact O-N 2.76Å |
| 88 | A | 76.7 | Confident | 77.6 | Confident | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | V90 | A88-V90 PolarHBondContact O-N 2.93Š|
| 89 | A | 71.9 | Confident | 76.8 | Confident | 102 Ų | 102 | 131.4 Ų | 131.4 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 119.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | R87 A91 | R87-A89 PolarHBondContact O-N 2.76Å; A89-A91 PolarHBondContact O-N 3.18Å |
| 90 | V | 66 | Low | 75.9 | Confident | 137 Ų | 137 | 130.2 Ų | 130.2 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 120.2 | 170.8 | -166.8 | 0 | 0 | 0 | 0 | 105.7 | A88 A92 | A88-V90 PolarHBondContact O-N 2.93Å; V90-A92 PolarHBondContact O-N 3.2Å |
| 91 | A | 66.2 | Low | 75 | Confident | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | A89 S93 | A89-A91 PolarHBondContact O-N 3.18Å; A91-S93 PolarHBondContact O-N 3.02Å; A91-S93 VanDerWaalsContact O-N 3.15Å |
| 92 | A | 65.5 | Low | 74.1 | Confident | 99 Ų | 99 | 135.9 Ų | 135.9 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | V90 S94 | V90-A92 PolarHBondContact O-N 3.2Å; A92-S94 PolarHBondContact O-N 3.16Å; A92-S94 VanDerWaalsContact O-N 3.09Å |
| 93 | S | 64.5 | Low | 73.2 | Confident | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 84% | 0.843 | S | S | * | * | trans | -60.1 | 112.6 | 173.2 | -40.1 | 0 | 0 | 0 | 0 | 107.9 | A91 S95 | A91-S93 PolarHBondContact O-N 3.02Å; A91-S93 VanDerWaalsContact O-N 3.15Å; S93-S95 PolarHBondContact O-N 3.33Å | ||
| 94 | S | 62.7 | Low | 72.2 | Confident | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 85% | 0.849 | S | S | * | * | trans | -65 | 104.7 | 167.1 | 47.1 | 0 | 0 | 0 | 0 | 107.9 | A92 | A92-S94 PolarHBondContact O-N 3.16Å; A92-S94 VanDerWaalsContact O-N 3.09Å | ||
| 95 | S | 67.1 | Low | 70.9 | Confident | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | trans | -67 | 132.1 | 168.3 | 36.1 | 0 | 0 | 0 | 0 | 109.4 | S93 | S93-S95 PolarHBondContact O-N 3.33Š| ||
| 96 | S | 57.6 | Low | 69.3 | Low | 194 Ų | 194 | 136 Ų | 136 | 100% | 1.357 | 87% | 0.866 | S | S | * | * | trans | -56.5 | 0 | -179.6 | -53.7 | 0 | 0 | 0 | 0 | 114.1 |
Retrieved 96 of 96 residues in 50.7 ms
(Link to these results)