| 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 | 42.1 | Very low | 50.7 | Low | 206 Ų | 206 | 145.1 Ų | 145.1 | 100% | 1.015 | 75% | 0.746 | S | S | * | * | 0 | 81.1 | 0 | -77.5 | -178.5 | 173.4 | 0 | 0 | 109.6 | |||||
| 2 | L | 45.5 | Very low | 51.2 | Low | 142 Ų | 142 | 138.7 Ų | 138.7 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -127.2 | 3.2 | -172.1 | -99.9 | 149.8 | 0 | 0 | 0 | 113.7 | S5 | L2-S5 PolarHBondContact O-OG 3.02Š| ||
| 3 | L | 47.2 | Very low | 52.2 | Low | 158 Ų | 158 | 134.8 Ų | 134.8 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -88.2 | -6.3 | -171.7 | -67.9 | 172.1 | 0 | 0 | 0 | 114.3 | ||
| 4 | T | 51.9 | Low | 53.1 | Low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -93 | -17 | -179.1 | 45.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 5 | S | 51.4 | Low | 54.4 | Low | 88 Ų | 88 | 139.6 Ų | 139.6 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -18.9 | -173.1 | 57.5 | 0 | 0 | 0 | 0 | 115.3 | L2 | L2-S5 PolarHBondContact O-OG 3.02Š|
| 6 | V | 53.4 | Low | 55.8 | Low | 108 Ų | 108 | 136.7 Ų | 136.7 | 66% | 0.655 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 2.6 | -168.9 | -171.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 7 | R | 48.8 | Very low | 57.2 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 56% | 0.562 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -119.3 | 75.9 | -177.4 | -62.4 | -151.8 | -169 | 175.5 | -4.2 | 112.9 | G9 R10 I12 | R7-G9 VanDerWaalsContact C-N 3.29Å; R7-G9 PolarHBondContact O-N 2.99Å; R7-R10 PolarHBondContact O-N 3.48Å; R7-I12 VanDerWaalsContact CD-CD1 3.49Å; R7-I12 HydrophobicContact CG-CD1 4.25Å |
| 8 | Y | 49.3 | Very low | 58.4 | Low | 223 Ų | 223 | 127.2 Ų | 127.2 | 88% | 0.875 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -8.1 | 69.4 | 160.6 | -61.5 | -84.6 | 0 | 0 | 0 | 116.5 | R10 | Y8-R10 PolarHBondContact O-N 2.69Š|
| 9 | G | 53.9 | Low | 59.9 | Low | 88 Ų | 88 | 124.4 Ų | 124.4 | 91% | 0.907 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.8 | 9.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | R7 | R7-G9 VanDerWaalsContact C-N 3.29Å; R7-G9 PolarHBondContact O-N 2.99Å |
| 10 | R | 52.9 | Low | 61.3 | Low | 213 Ų | 213 | 121.9 Ų | 121.9 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | trans | -90.5 | 120.4 | -177.3 | -72.6 | -171.1 | 180 | -172 | 1.2 | 111.5 | R7 Y8 I12 | R7-R10 PolarHBondContact O-N 3.48Å; Y8-R10 PolarHBondContact O-N 2.69Å; R10-I12 PolarHBondContact O-N 3Å | ||
| 11 | F | 61 | Low | 62.4 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 38% | 0.382 | 64% | 0.644 | S | S | . | * | trans | -61.7 | 114 | 176.9 | -165.8 | -92.9 | 0 | 0 | 0 | 111.8 | I29 | F11-I29 HydrophobicContact CE2-CB 3.54Å; F11-I29 HydrophobicContact CE2-CD1 3.78Å; F11-I29 HydrophobicContact CE2-CG1 4.19Å; F11-I29 HydrophobicContact CE2-CG2 3.95Å; F11-I29 HydrophobicContact CZ-CB 3.66Å; F11-I29 HydrophobicContact CZ-CG2 4.35Å; F11-I29 WeakPolarHBondContact CZ-O 3.26Å | ||
| 12 | I | 57.2 | Low | 64.4 | Low | 68 Ų | 68 | 117 Ų | 117 | 35% | 0.349 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -81 | 123.5 | 176.9 | -50.3 | 177.5 | 0 | 0 | 0 | 108.4 | R7 R10 W14 | R7-I12 VanDerWaalsContact CD-CD1 3.49Å; R7-I12 HydrophobicContact CG-CD1 4.25Å; R10-I12 PolarHBondContact O-N 3Å; I12-W14 PolarHBondContact O-N 3.04Å; I12-W14 VanDerWaalsContact O-N 3.09Å |
| 13 | P | 63.6 | Low | 66.2 | Low | 89 Ų | 89 | 111.7 Ų | 111.7 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 116.2 | 167.5 | 18.1 | -18.4 | 0 | 0 | 0 | 108.6 | K15 | P13-K15 PolarHBondContact O-N 3.13Š|
| 14 | W | 65.2 | Low | 68 | Low | 121 Ų | 121 | 107.2 Ų | 107.2 | 46% | 0.458 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 129.8 | 176.5 | -70.2 | 93.6 | 0 | 0 | 0 | 110.1 | I12 V17 | I12-W14 PolarHBondContact O-N 3.04Å; I12-W14 VanDerWaalsContact O-N 3.09Å; W14-V17 HydrophobicContact CB-CG2 3.93Å; W14-V17 HydrophobicContact CD2-CG2 4.31Å; W14-V17 HydrophobicContact CG-CG2 4Å |
| 15 | K | 72.4 | Confident | 69.5 | Low | 220 Ų | 220 | 110.3 Ų | 110.3 | 96% | 0.957 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -75.9 | -32 | 169.8 | -73.1 | -174.2 | 176.3 | -173.9 | 0 | 111.7 | P13 | P13-K15 PolarHBondContact O-N 3.13Š|
| 16 | S | 77 | Confident | 70.8 | Confident | 93 Ų | 93 | 110.3 Ų | 110.3 | 65% | 0.65 | 59% | 0.589 | S | S | * | * | trans | -154.7 | 149 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 17 | V | 79.5 | Confident | 72.1 | Confident | 25 Ų | 25 | 112 Ų | 112 | 15% | 0.152 | 58% | 0.583 | C | S | . | * | trans | -115.8 | 119.5 | 172.7 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | W14 G19 E26 K28 | W14-V17 HydrophobicContact CB-CG2 3.93Å; W14-V17 HydrophobicContact CD2-CG2 4.31Å; W14-V17 HydrophobicContact CG-CG2 4Å; V17-G19 PolarHBondContact O-N 2.77Å; V17-E26 VanDerWaalsContact CG1-O 3.31Å; V17-E26 WeakPolarHBondContact CG1-O 3.32Å; V17-K28 HydrophobicContact CG2-CB 4.26Å | ||
| 18 | P | 79.4 | Confident | 73.6 | Confident | 77 Ų | 77 | 110 Ų | 110 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -69.9 | 129.9 | -178.8 | 27.5 | -31.9 | 0 | 0 | 0 | 110.6 | E26 | P18-E26 HydrophobicContact CG-CB 4.24Å; P18-E26 WeakPolarHBondContact CG-OE2 3.49Å |
| 19 | G | 86.9 | Confident | 75.1 | Confident | 75 Ų | 75 | 104 Ų | 104 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 75.9 | -132.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V17 | V17-G19 PolarHBondContact O-N 2.77Š|
| 20 | S | 87 | Confident | 76.4 | Confident | 74 Ų | 74 | 103.1 Ų | 103.1 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | trans | -76.4 | 133 | -176.3 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | W22 G23 | S20-W22 VanDerWaalsContact C-N 3.29Å; S20-W22 PolarHBondContact O-N 3.36Å; S20-G23 VanDerWaalsContact O-O 3.13Å; S20-G23 PolarHBondContact OG-N 3.5Å | ||
| 21 | V | 84.9 | Confident | 77.8 | Confident | 64 Ų | 64 | 100.4 Ų | 100.4 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -63.9 | -34 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | K28 | V21-K28 HydrophobicContact CG1-CB 3.73Å; V21-K28 HydrophobicContact CG1-CD 4.02Å; V21-K28 PolarHBondContact O-N 3.01Å |
| 22 | W | 84 | Confident | 79 | Confident | 162 Ų | 162 | 101.8 Ų | 101.8 | 61% | 0.614 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -112.1 | -10.4 | -172.5 | -57.2 | 114.2 | 0 | 0 | 0 | 113.8 | S20 P30 | S20-W22 VanDerWaalsContact C-N 3.29Å; S20-W22 PolarHBondContact O-N 3.36Å; W22-P30 HydrophobicContact CH2-CB 4.43Å; W22-P30 HydrophobicContact CZ3-CB 4.16Å; W22-P30 HydrophobicContact CZ3-CG 4.21Å |
| 23 | G | 82.6 | Confident | 80.7 | Confident | 29 Ų | 29 | 101.9 Ų | 101.9 | 30% | 0.299 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -117 | 168.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S20 | S20-G23 VanDerWaalsContact O-O 3.13Å; S20-G23 PolarHBondContact OG-N 3.5Å |
| 24 | G | 85.9 | Confident | 82.2 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 82.9 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 25 | K | 84.2 | Confident | 83.6 | Confident | 198 Ų | 198 | 100.1 Ų | 100.1 | 86% | 0.861 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -73.5 | -39.1 | -175.1 | -171.2 | 175.5 | -178 | 177.8 | 0 | 112.4 | ||
| 26 | E | 78.5 | Confident | 84.6 | Confident | 89 Ų | 89 | 96.5 Ų | 96.5 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -109 | 108 | 176.9 | -65.1 | -174.2 | -179 | 0 | 0 | 109 | V17 P18 | V17-E26 VanDerWaalsContact CG1-O 3.31Å; V17-E26 WeakPolarHBondContact CG1-O 3.32Å; P18-E26 HydrophobicContact CG-CB 4.24Å; P18-E26 WeakPolarHBondContact CG-OE2 3.49Å |
| 27 | R | 80.2 | Confident | 85.5 | Confident | 143 Ų | 143 | 96.6 Ų | 96.6 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | trans | -134 | 157.2 | -174.4 | 63.1 | -172.9 | 176.7 | -169.5 | -2.2 | 111.6 | I29 | R27-I29 PolarHBondContact O-N 3.21Š| ||
| 28 | K | 80.6 | Confident | 86.4 | Confident | 108 Ų | 108 | 101 Ų | 101 | 47% | 0.47 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 117.5 | 172 | -172.9 | 177.8 | -178.8 | 178.4 | 0 | 109.1 | V17 V21 P30 | V17-K28 HydrophobicContact CG2-CB 4.26Å; V21-K28 HydrophobicContact CG1-CB 3.73Å; V21-K28 HydrophobicContact CG1-CD 4.02Å; V21-K28 PolarHBondContact O-N 3.01Å; K28-P30 WeakPolarHBondContact O-CD 3.38Å |
| 29 | I | 80.4 | Confident | 87.2 | Confident | 95 Ų | 95 | 99.8 Ų | 99.8 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 118.9 | 172.8 | -61.3 | 160.6 | 0 | 0 | 0 | 107.7 | F11 R27 | F11-I29 HydrophobicContact CE2-CB 3.54Å; F11-I29 HydrophobicContact CE2-CD1 3.78Å; F11-I29 HydrophobicContact CE2-CG1 4.19Å; F11-I29 HydrophobicContact CE2-CG2 3.95Å; F11-I29 HydrophobicContact CZ-CB 3.66Å; F11-I29 HydrophobicContact CZ-CG2 4.35Å; F11-I29 WeakPolarHBondContact CZ-O 3.26Å; R27-I29 PolarHBondContact O-N 3.21Å |
| 30 | P | 80.6 | Confident | 87.7 | Confident | 70 Ų | 70 | 102.1 Ų | 102.1 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 140.8 | 178.7 | 28 | -31.2 | 0 | 0 | 0 | 110.1 | W22 K28 | W22-P30 HydrophobicContact CH2-CB 4.43Å; W22-P30 HydrophobicContact CZ3-CB 4.16Å; W22-P30 HydrophobicContact CZ3-CG 4.21Å; K28-P30 WeakPolarHBondContact O-CD 3.38Å |
| 31 | R | 82.1 | Confident | 88.2 | Confident | 157 Ų | 157 | 103.3 Ų | 103.3 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 137.6 | 175.1 | -67 | -174.8 | 178.5 | -177.9 | -0.4 | 110 | T33 | R31-T33 PolarHBondContact O-N 3.28Š|
| 32 | L | 86.9 | Confident | 88.8 | Confident | 116 Ų | 116 | 104.8 Ų | 104.8 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | trans | -81.6 | 100.3 | 170.4 | -171.7 | 65.7 | 0 | 0 | 0 | 108.9 | R36 K37 | L32-R36 HydrophobicContact CD1-CB 3.95Å; L32-K37 HydrophobicContact CD1-CG 4.2Å; L32-K37 HydrophobicContact CD2-CD 4.26Å; L32-K37 HydrophobicContact CD2-CG 3.79Å; L32-K37 HydrophobicContact CG-CD 4.39Å; L32-K37 HydrophobicContact CG-CG 3.73Å | ||
| 33 | T | 92.3 | Very high | 89.5 | Confident | 69 Ų | 69 | 103.5 Ų | 103.5 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | trans | -76.4 | 158.2 | 175.2 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | R31 A35 R36 K37 | R31-T33 PolarHBondContact O-N 3.28Å; T33-A35 VanDerWaalsContact C-N 3.31Å; T33-A35 PolarHBondContact O-N 3.11Å; T33-R36 PolarHBondContact O-N 3.24Å; T33-R36 VanDerWaalsContact O-N 3.1Å; T33-R36 WeakPolarHBondContact OG1-CG 3.5Å; T33-R36 PolarHBondContact OG1-N 3.15Å; T33-K37 PolarHBondContact O-N 3.35Å; T33-K37 VanDerWaalsContact O-N 3.15Å | ||
| 34 | N | 95.6 | Very high | 90.2 | Very high | 109 Ų | 109 | 106.1 Ų | 106.1 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.5 | -42.4 | 175.9 | -71.5 | -9.3 | 0 | 0 | 0 | 111.7 | R36 K37 E38 | N34-R36 PolarHBondContact O-N 2.97Å; N34-K37 WeakPolarHBondContact O-CA 3.47Å; N34-K37 WeakPolarHBondContact O-CB 3.4Å; N34-K37 PolarHBondContact O-N 3.38Å; N34-E38 WeakPolarHBondContact O-CG 3.41Å; N34-E38 PolarHBondContact O-N 3.08Å |
| 35 | A | 94.7 | Very high | 90.7 | Very high | 65 Ų | 65 | 108 Ų | 108 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.9 | -35.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T33 A39 | T33-A35 VanDerWaalsContact C-N 3.31Å; T33-A35 PolarHBondContact O-N 3.11Å; A35-A39 WeakPolarHBondContact O-CB 3.2Å; A35-A39 PolarHBondContact O-N 3.47Å |
| 36 | R | 92.7 | Very high | 91.4 | Very high | 143 Ų | 143 | 103.2 Ų | 103.2 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.8 | -31.2 | 175.1 | -76.4 | 178.2 | 178.8 | -158.3 | -4 | 112.7 | L32 T33 N34 F40 | L32-R36 HydrophobicContact CD1-CB 3.95Å; T33-R36 PolarHBondContact O-N 3.24Å; T33-R36 VanDerWaalsContact O-N 3.1Å; T33-R36 WeakPolarHBondContact OG1-CG 3.5Å; T33-R36 PolarHBondContact OG1-N 3.15Å; N34-R36 PolarHBondContact O-N 2.97Å; R36-F40 WeakPolarHBondContact O-CB 3.5Å; R36-F40 PolarHBondContact O-N 3.38Å |
| 37 | K | 96.9 | Very high | 92.3 | Very high | 96 Ų | 96 | 101.3 Ų | 101.3 | 42% | 0.417 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.9 | -43.6 | 173.6 | -62.8 | 176.1 | -176.2 | 173.3 | 0 | 110.6 | L32 T33 N34 F40 L41 | L32-K37 HydrophobicContact CD1-CG 4.2Å; L32-K37 HydrophobicContact CD2-CD 4.26Å; L32-K37 HydrophobicContact CD2-CG 3.79Å; L32-K37 HydrophobicContact CG-CD 4.39Å; L32-K37 HydrophobicContact CG-CG 3.73Å; T33-K37 PolarHBondContact O-N 3.35Å; T33-K37 VanDerWaalsContact O-N 3.15Å; N34-K37 WeakPolarHBondContact O-CA 3.47Å; N34-K37 WeakPolarHBondContact O-CB 3.4Å; N34-K37 PolarHBondContact O-N 3.38Å; K37-F40 PolarHBondContact O-N 2.84Å; K37-L41 WeakPolarHBondContact O-CG 3.35Å; K37-L41 PolarHBondContact O-N 3.41Å |
| 38 | E | 97.6 | Very high | 93.1 | Very high | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -52.5 | 176.6 | -72.1 | 162.7 | -168.5 | 0 | 0 | 110.8 | N34 F40 L41 D42 | N34-E38 WeakPolarHBondContact O-CG 3.41Å; N34-E38 PolarHBondContact O-N 3.08Å; E38-F40 VanDerWaalsContact C-N 3.27Å; E38-F40 PolarHBondContact O-N 3.08Å; E38-L41 WeakPolarHBondContact O-CA 3.33Å; E38-L41 WeakPolarHBondContact O-CB 3.2Å; E38-L41 PolarHBondContact O-N 3.1Å; E38-D42 PolarHBondContact O-N 3.21Å |
| 39 | A | 97 | Very high | 93.9 | Very high | 51 Ų | 51 | 102.3 Ų | 102.3 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.4 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A35 D42 E43 | A35-A39 WeakPolarHBondContact O-CB 3.2Å; A35-A39 PolarHBondContact O-N 3.47Å; A39-D42 PolarHBondContact O-N 3.33Å; A39-E43 PolarHBondContact O-N 2.97Å; A39-E43 VanDerWaalsContact O-N 3.09Å |
| 40 | F | 97.2 | Very high | 94.7 | Very high | 124 Ų | 124 | 101.6 Ų | 101.6 | 54% | 0.544 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 175.4 | 176.9 | -106.2 | 0 | 0 | 0 | 112.4 | R36 K37 E38 E43 L44 | R36-F40 WeakPolarHBondContact O-CB 3.5Å; R36-F40 PolarHBondContact O-N 3.38Å; K37-F40 PolarHBondContact O-N 2.84Å; E38-F40 VanDerWaalsContact C-N 3.27Å; E38-F40 PolarHBondContact O-N 3.08Å; F40-E43 PolarHBondContact O-N 3.31Å; F40-L44 HydrophobicContact CD1-CD1 3.92Å; F40-L44 HydrophobicContact CE1-CD1 3.39Å; F40-L44 HydrophobicContact CE1-CG 4.13Å; F40-L44 HydrophobicContact CE2-CG 4.45Å; F40-L44 HydrophobicContact CZ-CD1 3.76Å; F40-L44 HydrophobicContact CZ-CD2 4.27Å; F40-L44 HydrophobicContact CZ-CG 4.09Å; F40-L44 WeakPolarHBondContact O-CG 3.45Å; F40-L44 PolarHBondContact O-N 2.79Å; F40-L44 VanDerWaalsContact O-N 3.08Å |
| 41 | L | 97.8 | Very high | 95.4 | Very high | 99 Ų | 99 | 103.8 Ų | 103.8 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 174.7 | -71.2 | 170.4 | 0 | 0 | 0 | 111.3 | K37 E38 L44 L45 | K37-L41 WeakPolarHBondContact O-CG 3.35Å; K37-L41 PolarHBondContact O-N 3.41Å; E38-L41 WeakPolarHBondContact O-CA 3.33Å; E38-L41 WeakPolarHBondContact O-CB 3.2Å; E38-L41 PolarHBondContact O-N 3.1Å; L41-L44 HydrophobicContact CD2-CD1 4.46Å; L41-L44 WeakPolarHBondContact O-CB 3.21Å; L41-L44 PolarHBondContact O-N 3.44Å; L41-L45 WeakPolarHBondContact O-CG 3.35Å; L41-L45 PolarHBondContact O-N 3.15Å |
| 42 | D | 97.7 | Very high | 96 | Very high | 95 Ų | 95 | 101.5 Ų | 101.5 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 176.3 | -66.2 | -24.9 | 0 | 0 | 0 | 111.5 | E38 A39 L44 L45 I46 | E38-D42 PolarHBondContact O-N 3.21Å; A39-D42 PolarHBondContact O-N 3.33Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 3.31Å; D42-L45 PolarHBondContact O-N 2.73Å; D42-I46 WeakPolarHBondContact O-CG1 3.5Å; D42-I46 PolarHBondContact O-N 3.23Å |
| 43 | E | 97.5 | Very high | 96.4 | Very high | 136 Ų | 136 | 103.9 Ų | 103.9 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -40.9 | 173.7 | -74.7 | -176.4 | 176.2 | 0 | 0 | 112.2 | A39 F40 L45 I46 S47 | A39-E43 PolarHBondContact O-N 2.97Å; A39-E43 VanDerWaalsContact O-N 3.09Å; F40-E43 PolarHBondContact O-N 3.31Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.16Å; E43-I46 PolarHBondContact O-N 3.41Å; E43-S47 WeakPolarHBondContact O-CB 3.46Å; E43-S47 PolarHBondContact O-N 2.95Å |
| 44 | L | 97.7 | Very high | 96.4 | Very high | 84 Ų | 84 | 107.4 Ų | 107.4 | 44% | 0.44 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 176 | -74.2 | 176.9 | 0 | 0 | 0 | 112.5 | F40 L41 D42 S47 R48 | F40-L44 HydrophobicContact CD1-CD1 3.92Å; F40-L44 HydrophobicContact CE1-CD1 3.39Å; F40-L44 HydrophobicContact CE1-CG 4.13Å; F40-L44 HydrophobicContact CE2-CG 4.45Å; F40-L44 HydrophobicContact CZ-CD1 3.76Å; F40-L44 HydrophobicContact CZ-CD2 4.27Å; F40-L44 HydrophobicContact CZ-CG 4.09Å; F40-L44 WeakPolarHBondContact O-CG 3.45Å; F40-L44 PolarHBondContact O-N 2.79Å; F40-L44 VanDerWaalsContact O-N 3.08Å; L41-L44 HydrophobicContact CD2-CD1 4.46Å; L41-L44 WeakPolarHBondContact O-CB 3.21Å; L41-L44 PolarHBondContact O-N 3.44Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 3.31Å; L44-S47 PolarHBondContact O-N 3.03Å; L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 2.81Å |
| 45 | L | 97.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 108.1 Ų | 108.1 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 176.2 | -70.6 | 173.1 | 0 | 0 | 0 | 111.4 | L41 D42 E43 R48 Q49 | L41-L45 WeakPolarHBondContact O-CG 3.35Å; L41-L45 PolarHBondContact O-N 3.15Å; D42-L45 PolarHBondContact O-N 2.73Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.16Å; L45-R48 PolarHBondContact O-N 3.01Å; L45-Q49 WeakPolarHBondContact O-CB 3.49Å; L45-Q49 PolarHBondContact O-N 2.93Å |
| 46 | I | 97.5 | Very high | 96.1 | Very high | 97 Ų | 97 | 113 Ų | 113 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 174.5 | -65.2 | 168.4 | 0 | 0 | 0 | 110.2 | D42 E43 R48 Q49 N50 | D42-I46 WeakPolarHBondContact O-CG1 3.5Å; D42-I46 PolarHBondContact O-N 3.23Å; E43-I46 PolarHBondContact O-N 3.41Å; I46-R48 VanDerWaalsContact C-N 3.33Å; I46-R48 PolarHBondContact O-N 3.45Å; I46-Q49 WeakPolarHBondContact O-CB 3.48Å; I46-Q49 PolarHBondContact O-N 2.86Å; I46-Q49 VanDerWaalsContact O-N 3.16Å; I46-N50 PolarHBondContact O-N 2.85Å |
| 47 | S | 97.6 | Very high | 96 | Very high | 49 Ų | 49 | 110.9 Ų | 110.9 | 34% | 0.343 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | E43 L44 Q49 N50 H51 | E43-S47 WeakPolarHBondContact O-CB 3.46Å; E43-S47 PolarHBondContact O-N 2.95Å; L44-S47 PolarHBondContact O-N 3.03Å; S47-Q49 VanDerWaalsContact C-N 3.33Å; S47-Q49 PolarHBondContact O-N 3.22Å; S47-N50 PolarHBondContact O-N 3.36Å; S47-H51 PolarHBondContact O-CD2 3.31Å; S47-H51 PolarHBondContact O-N 2.76Å |
| 48 | R | 97.4 | Very high | 95.7 | Very high | 174 Ų | 174 | 116.3 Ų | 116.3 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58 | -45.8 | 174.4 | 179.1 | 179.5 | 178.5 | 171.6 | 0.3 | 111.6 | L44 L45 I46 H51 M52 | L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 2.81Å; L45-R48 PolarHBondContact O-N 3.01Å; I46-R48 VanDerWaalsContact C-N 3.33Å; I46-R48 PolarHBondContact O-N 3.45Å; R48-H51 PolarHBondContact O-N 2.89Å; R48-M52 WeakPolarHBondContact O-CG 3.34Å; R48-M52 PolarHBondContact O-N 3.26Å |
| 49 | Q | 97.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 116 Ų | 116 | 46% | 0.458 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.8 | -43.5 | 178.2 | -177.5 | 176.5 | 10.1 | 0 | 0 | 111.6 | L45 I46 S47 H51 M52 Y53 | L45-Q49 WeakPolarHBondContact O-CB 3.49Å; L45-Q49 PolarHBondContact O-N 2.93Å; I46-Q49 WeakPolarHBondContact O-CB 3.48Å; I46-Q49 PolarHBondContact O-N 2.86Å; I46-Q49 VanDerWaalsContact O-N 3.16Å; S47-Q49 VanDerWaalsContact C-N 3.33Å; S47-Q49 PolarHBondContact O-N 3.22Å; Q49-H51 VanDerWaalsContact C-N 3.34Å; Q49-H51 PolarHBondContact O-N 3.45Å; Q49-M52 WeakPolarHBondContact O-CB 3.32Å; Q49-M52 PolarHBondContact O-N 3.49Å; Q49-Y53 HydrophobicContact CG-CD2 3.94Å; Q49-Y53 HydrophobicContact CG-CE2 3.41Å; Q49-Y53 VanDerWaalsContact CG-CE2 3.41Å; Q49-Y53 PolarHBondContact NE2-OH 3.25Å; Q49-Y53 VanDerWaalsContact O-CD2 3.24Å; Q49-Y53 WeakPolarHBondContact O-CD2 3.06Å; Q49-Y53 PolarHBondContact O-N 3.43Å; Q49-Y53 VanDerWaalsContact O-N 3.13Å |
| 50 | N | 96.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 116.6 Ų | 116.6 | 43% | 0.433 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.7 | -43.3 | 175.2 | -68.9 | -14.2 | 0 | 0 | 0 | 111.6 | I46 S47 M52 Y53 L54 | I46-N50 PolarHBondContact O-N 2.85Å; S47-N50 PolarHBondContact O-N 3.36Å; N50-M52 VanDerWaalsContact C-N 3.29Å; N50-M52 PolarHBondContact O-N 2.79Å; N50-Y53 PolarHBondContact O-N 3.45Å; N50-L54 WeakPolarHBondContact O-CB 3.41Å; N50-L54 VanDerWaalsContact O-CG 3.27Å; N50-L54 WeakPolarHBondContact O-CG 3.1Å; N50-L54 PolarHBondContact O-N 3.25Å |
| 51 | H | 96.5 | Very high | 94.8 | Very high | 116 Ų | 116 | 118.6 Ų | 118.6 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.7 | -37.3 | 175.4 | -78.9 | -63.4 | 0 | 0 | 0 | 112.7 | S47 R48 Q49 L54 Q55 | S47-H51 PolarHBondContact O-CD2 3.31Å; S47-H51 PolarHBondContact O-N 2.76Å; R48-H51 PolarHBondContact O-N 2.89Å; Q49-H51 VanDerWaalsContact C-N 3.34Å; Q49-H51 PolarHBondContact O-N 3.45Å; H51-L54 PolarHBondContact O-N 3.03Å; H51-Q55 VanDerWaalsContact O-CG 3.25Å; H51-Q55 WeakPolarHBondContact O-CG 3.38Å; H51-Q55 PolarHBondContact O-N 3.13Å |
| 52 | M | 94.7 | Very high | 94.5 | Very high | 109 Ų | 109 | 121.8 Ų | 121.8 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.7 | -43.3 | 174.9 | -64.3 | -62.8 | -56.5 | 0 | 0 | 111.6 | R48 Q49 N50 L54 | R48-M52 WeakPolarHBondContact O-CG 3.34Å; R48-M52 PolarHBondContact O-N 3.26Å; Q49-M52 WeakPolarHBondContact O-CB 3.32Å; Q49-M52 PolarHBondContact O-N 3.49Å; N50-M52 VanDerWaalsContact C-N 3.29Å; N50-M52 PolarHBondContact O-N 2.79Å; M52-L54 VanDerWaalsContact C-N 3.34Å; M52-L54 PolarHBondContact O-N 3.23Å |
| 53 | Y | 94.4 | Very high | 94.2 | Very high | 166 Ų | 166 | 120.4 Ų | 120.4 | 65% | 0.651 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.2 | -29.5 | 179.3 | -69.7 | -55.3 | 0 | 0 | 0 | 113.7 | Q49 N50 | Q49-Y53 HydrophobicContact CG-CD2 3.94Å; Q49-Y53 HydrophobicContact CG-CE2 3.41Å; Q49-Y53 VanDerWaalsContact CG-CE2 3.41Å; Q49-Y53 PolarHBondContact NE2-OH 3.25Å; Q49-Y53 VanDerWaalsContact O-CD2 3.24Å; Q49-Y53 WeakPolarHBondContact O-CD2 3.06Å; Q49-Y53 PolarHBondContact O-N 3.43Å; Q49-Y53 VanDerWaalsContact O-N 3.13Å; N50-Y53 PolarHBondContact O-N 3.45Å |
| 54 | L | 93.3 | Very high | 93.9 | Very high | 142 Ų | 142 | 118.7 Ų | 118.7 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -2.8 | -178.7 | -65.6 | 172.7 | 0 | 0 | 0 | 113.5 | N50 H51 M52 | N50-L54 WeakPolarHBondContact O-CB 3.41Å; N50-L54 VanDerWaalsContact O-CG 3.27Å; N50-L54 WeakPolarHBondContact O-CG 3.1Å; N50-L54 PolarHBondContact O-N 3.25Å; H51-L54 PolarHBondContact O-N 3.03Å; M52-L54 VanDerWaalsContact C-N 3.34Å; M52-L54 PolarHBondContact O-N 3.23Å |
| 55 | Q | 92.4 | Very high | 93.6 | Very high | 124 Ų | 124 | 118 Ų | 118 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -73.8 | -29.6 | 179.5 | -88.8 | 167.7 | 14.9 | 0 | 0 | 113.6 | H51 P57 | H51-Q55 VanDerWaalsContact O-CG 3.25Å; H51-Q55 WeakPolarHBondContact O-CG 3.38Å; H51-Q55 PolarHBondContact O-N 3.13Å; Q55-P57 VanDerWaalsContact O-CD 3.31Å; Q55-P57 WeakPolarHBondContact O-CD 3.31Å |
| 56 | E | 90.5 | Very high | 93.3 | Very high | 169 Ų | 169 | 116.8 Ų | 116.8 | 79% | 0.79 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -117.5 | 86.3 | -173.5 | -66.8 | -179.6 | -178.9 | 0 | 0 | 109.6 | ||
| 57 | P | 91.5 | Very high | 92.9 | Very high | 98 Ų | 98 | 114.5 Ų | 114.5 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | trans | -66.4 | 147.2 | 174.9 | 30.2 | -35.3 | 0 | 0 | 0 | 110.3 | Q55 F59 | Q55-P57 VanDerWaalsContact O-CD 3.31Å; Q55-P57 WeakPolarHBondContact O-CD 3.31Å; P57-F59 WeakPolarHBondContact CB-O 3.32Å | ||
| 58 | Y | 91.2 | Very high | 92.5 | Very high | 210 Ų | 210 | 115 Ų | 115 | 82% | 0.824 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -69.2 | -34.6 | 179.2 | -177 | -96 | 0 | 0 | 0 | 112.5 | ||
| 59 | F | 89.9 | Confident | 92.2 | Very high | 111 Ų | 111 | 109.7 Ų | 109.7 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -109 | 147.9 | 174.9 | -63.1 | -65.7 | 0 | 0 | 0 | 110.3 | P57 V63 | P57-F59 WeakPolarHBondContact CB-O 3.32Å; F59-V63 HydrophobicContact CB-CB 4.45Å; F59-V63 HydrophobicContact CB-CG1 4.39Å; F59-V63 HydrophobicContact CD1-CG1 3.85Å; F59-V63 HydrophobicContact CG-CG1 4.37Å |
| 60 | S | 92 | Very high | 91.9 | Very high | 62 Ų | 62 | 110.7 Ų | 110.7 | 43% | 0.434 | 57% | 0.574 | S | S | . | * | trans | -73.1 | 154.6 | 166.3 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | E62 V63 E64 | S60-E62 PolarHBondContact O-N 3.44Å; S60-E62 VanDerWaalsContact O-N 3.15Å; S60-V63 PolarHBondContact O-N 2.82Å; S60-V63 WeakPolarHBondContact OG-CG2 3.35Å; S60-E64 PolarHBondContact O-N 2.84Å | ||
| 61 | E | 90.2 | Very high | 91.6 | Very high | 166 Ų | 166 | 111 Ų | 111 | 78% | 0.776 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -55.8 | -33.9 | -179.9 | -62.8 | -179.4 | 175.9 | 0 | 0 | 112.6 | A65 | E61-A65 VanDerWaalsContact O-CB 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.43Å; E61-A65 PolarHBondContact O-N 3.33Å |
| 62 | E | 91.9 | Very high | 91.4 | Very high | 167 Ų | 167 | 110.5 Ų | 110.5 | 78% | 0.78 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.1 | -39.4 | 177.5 | -62.7 | -180 | 175.4 | 0 | 0 | 112.6 | S60 A66 | S60-E62 PolarHBondContact O-N 3.44Å; S60-E62 VanDerWaalsContact O-N 3.15Å; E62-A66 PolarHBondContact O-N 3.07Å |
| 63 | V | 91.1 | Very high | 91.3 | Very high | 66 Ų | 66 | 109.7 Ų | 109.7 | 40% | 0.4 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.4 | -44.1 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | F59 S60 A65 A66 T67 | F59-V63 HydrophobicContact CB-CB 4.45Å; F59-V63 HydrophobicContact CB-CG1 4.39Å; F59-V63 HydrophobicContact CD1-CG1 3.85Å; F59-V63 HydrophobicContact CG-CG1 4.37Å; S60-V63 PolarHBondContact O-N 2.82Å; S60-V63 WeakPolarHBondContact OG-CG2 3.35Å; V63-A65 PolarHBondContact O-N 2.8Å; V63-A66 PolarHBondContact O-N 3.03Å; V63-T67 PolarHBondContact O-N 3.38Å; V63-T67 VanDerWaalsContact O-N 3.17Å; V63-T67 PolarHBondContact O-OG1 2.97Å |
| 64 | E | 91 | Very high | 91.3 | Very high | 100 Ų | 100 | 110.6 Ų | 110.6 | 47% | 0.467 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.8 | -47 | 175.6 | -173.9 | 178.8 | 179.7 | 0 | 0 | 110.9 | S60 A66 T67 L68 | S60-E64 PolarHBondContact O-N 2.84Å; E64-A66 VanDerWaalsContact C-N 3.25Å; E64-A66 PolarHBondContact O-N 3.4Å; E64-T67 PolarHBondContact O-N 3.44Å; E64-T67 VanDerWaalsContact O-N 3.16Å; E64-T67 PolarHBondContact O-OG1 2.92Å; E64-L68 WeakPolarHBondContact O-CB 3.44Å; E64-L68 PolarHBondContact O-N 3.48Å |
| 65 | A | 90.8 | Very high | 91.3 | Very high | 70 Ų | 70 | 109.5 Ų | 109.5 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.7 | -34.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E61 V63 | E61-A65 VanDerWaalsContact O-CB 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.43Å; E61-A65 PolarHBondContact O-N 3.33Å; V63-A65 PolarHBondContact O-N 2.8Å |
| 66 | A | 90.8 | Very high | 91.4 | Very high | 77 Ų | 77 | 108.3 Ų | 108.3 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.8 | -36.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E62 V63 E64 | E62-A66 PolarHBondContact O-N 3.07Å; V63-A66 PolarHBondContact O-N 3.03Å; E64-A66 VanDerWaalsContact C-N 3.25Å; E64-A66 PolarHBondContact O-N 3.4Å |
| 67 | T | 89.5 | Confident | 91.5 | Very high | 49 Ų | 49 | 106.2 Ų | 106.2 | 30% | 0.301 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -92.7 | -18.1 | -178 | 61 | 0 | 0 | 0 | 0 | 113.8 | V63 E64 A69 D70 E71 | V63-T67 PolarHBondContact O-N 3.38Å; V63-T67 VanDerWaalsContact O-N 3.17Å; V63-T67 PolarHBondContact O-OG1 2.97Å; E64-T67 PolarHBondContact O-N 3.44Å; E64-T67 VanDerWaalsContact O-N 3.16Å; E64-T67 PolarHBondContact O-OG1 2.92Å; T67-A69 VanDerWaalsContact C-N 3.3Å; T67-A69 PolarHBondContact O-N 2.8Å; T67-A69 VanDerWaalsContact O-N 3.17Å; T67-D70 PolarHBondContact O-N 2.98Å; T67-D70 VanDerWaalsContact O-N 3.16Å; T67-E71 WeakPolarHBondContact CB-OE1 3.45Å; T67-E71 WeakPolarHBondContact O-CG 3.26Å; T67-E71 PolarHBondContact O-N 3.14Å; T67-E71 PolarHBondContact OG1-OE1 3.27Å |
| 68 | L | 90 | Very high | 91.7 | Very high | 61 Ų | 61 | 105.7 Ų | 105.7 | 32% | 0.319 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -56.4 | -38.8 | -169.9 | -171.7 | 63.3 | 0 | 0 | 0 | 114.1 | E64 K72 | E64-L68 WeakPolarHBondContact O-CB 3.44Å; E64-L68 PolarHBondContact O-N 3.48Å; L68-K72 HydrophobicContact CD1-CD 4.28Å; L68-K72 HydrophobicContact CD1-CG 4.4Å; L68-K72 HydrophobicContact CG-CD 4.05Å; L68-K72 VanDerWaalsContact O-CB 3.26Å; L68-K72 WeakPolarHBondContact O-CB 3.4Å; L68-K72 WeakPolarHBondContact O-CG 3.49Å; L68-K72 PolarHBondContact O-N 3.4Å |
| 69 | A | 89.5 | Confident | 91.7 | Very high | 61 Ų | 61 | 101.5 Ų | 101.5 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T67 K72 I73 | T67-A69 VanDerWaalsContact C-N 3.3Å; T67-A69 PolarHBondContact O-N 2.8Å; T67-A69 VanDerWaalsContact O-N 3.17Å; A69-K72 PolarHBondContact O-N 3.47Å; A69-I73 WeakPolarHBondContact O-CD1 3.38Å; A69-I73 VanDerWaalsContact O-CG1 3.27Å; A69-I73 WeakPolarHBondContact O-CG1 3.26Å; A69-I73 PolarHBondContact O-N 3.4Å |
| 70 | D | 91.2 | Very high | 91.8 | Very high | 119 Ų | 119 | 100.6 Ų | 100.6 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.7 | -40.5 | -179.5 | -69.7 | -19.8 | 0 | 0 | 0 | 111.3 | T67 I73 R74 | T67-D70 PolarHBondContact O-N 2.98Å; T67-D70 VanDerWaalsContact O-N 3.16Å; D70-I73 PolarHBondContact O-N 3.49Å; D70-R74 WeakPolarHBondContact O-CB 3.27Å; D70-R74 PolarHBondContact O-N 2.95Å |
| 71 | E | 91.1 | Very high | 91.8 | Very high | 87 Ų | 87 | 103.5 Ų | 103.5 | 41% | 0.407 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 174.8 | -73.8 | 177.1 | -175 | 0 | 0 | 111.5 | T67 I73 R74 E75 | T67-E71 WeakPolarHBondContact CB-OE1 3.45Å; T67-E71 WeakPolarHBondContact O-CG 3.26Å; T67-E71 PolarHBondContact O-N 3.14Å; T67-E71 PolarHBondContact OG1-OE1 3.27Å; E71-I73 VanDerWaalsContact C-N 3.35Å; E71-I73 PolarHBondContact O-N 2.99Å; E71-R74 CarbonylContact O-C 3.6Å; E71-R74 WeakPolarHBondContact O-CB 3.47Å; E71-R74 PolarHBondContact O-N 3.16Å; E71-R74 VanDerWaalsContact O-N 3.14Å; E71-E75 WeakPolarHBondContact O-CB 3.38Å; E71-E75 WeakPolarHBondContact O-CG 3.49Å; E71-E75 PolarHBondContact O-N 3.17Å |
| 72 | K | 92.1 | Very high | 91.9 | Very high | 106 Ų | 106 | 102.2 Ų | 102.2 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 175.7 | -80.1 | 174.3 | 177.4 | 170.2 | 0 | 112.6 | L68 A69 R74 E75 L76 | L68-K72 HydrophobicContact CD1-CD 4.28Å; L68-K72 HydrophobicContact CD1-CG 4.4Å; L68-K72 HydrophobicContact CG-CD 4.05Å; L68-K72 VanDerWaalsContact O-CB 3.26Å; L68-K72 WeakPolarHBondContact O-CB 3.4Å; L68-K72 WeakPolarHBondContact O-CG 3.49Å; L68-K72 PolarHBondContact O-N 3.4Å; A69-K72 PolarHBondContact O-N 3.47Å; K72-R74 VanDerWaalsContact C-N 3.3Å; K72-R74 PolarHBondContact O-N 3.05Å; K72-E75 PolarHBondContact O-N 3.39Å; K72-L76 WeakPolarHBondContact O-CB 3.26Å; K72-L76 VanDerWaalsContact O-CG 3.26Å; K72-L76 WeakPolarHBondContact O-CG 3.18Å; K72-L76 PolarHBondContact O-N 3.21Å |
| 73 | I | 93.3 | Very high | 91.8 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.7 | -70.5 | 163.7 | 0 | 0 | 0 | 109.9 | A69 D70 E71 L76 Q77 | A69-I73 WeakPolarHBondContact O-CD1 3.38Å; A69-I73 VanDerWaalsContact O-CG1 3.27Å; A69-I73 WeakPolarHBondContact O-CG1 3.26Å; A69-I73 PolarHBondContact O-N 3.4Å; D70-I73 PolarHBondContact O-N 3.49Å; E71-I73 VanDerWaalsContact C-N 3.35Å; E71-I73 PolarHBondContact O-N 2.99Å; I73-L76 PolarHBondContact O-N 2.83Å; I73-Q77 WeakPolarHBondContact O-CB 3.49Å; I73-Q77 VanDerWaalsContact O-CG 3.26Å; I73-Q77 WeakPolarHBondContact O-CG 3.48Å; I73-Q77 PolarHBondContact O-N 3.16Å |
| 74 | R | 94.2 | Very high | 91.7 | Very high | 184 Ų | 184 | 102.9 Ų | 102.9 | 69% | 0.694 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -42.1 | 178.7 | -175.9 | -178.5 | 177.4 | -173.6 | -1.6 | 112.3 | D70 E71 K72 Q77 M78 | D70-R74 WeakPolarHBondContact O-CB 3.27Å; D70-R74 PolarHBondContact O-N 2.95Å; E71-R74 CarbonylContact O-C 3.6Å; E71-R74 WeakPolarHBondContact O-CB 3.47Å; E71-R74 PolarHBondContact O-N 3.16Å; E71-R74 VanDerWaalsContact O-N 3.14Å; K72-R74 VanDerWaalsContact C-N 3.3Å; K72-R74 PolarHBondContact O-N 3.05Å; R74-Q77 PolarHBondContact O-N 3.17Å; R74-M78 VanDerWaalsContact O-CG 3.31Å; R74-M78 WeakPolarHBondContact O-CG 3.48Å; R74-M78 PolarHBondContact O-N 3.15Å |
| 75 | E | 93.3 | Very high | 91.7 | Very high | 120 Ų | 120 | 101.9 Ų | 101.9 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -48 | 176.2 | -75.3 | -178.7 | 165.4 | 0 | 0 | 111.1 | E71 K72 Q77 M78 E79 | E71-E75 WeakPolarHBondContact O-CB 3.38Å; E71-E75 WeakPolarHBondContact O-CG 3.49Å; E71-E75 PolarHBondContact O-N 3.17Å; K72-E75 PolarHBondContact O-N 3.39Å; E75-Q77 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 3.25Å; E75-M78 CarbonylContact O-C 3.59Å; E75-M78 WeakPolarHBondContact O-CB 3.21Å; E75-M78 PolarHBondContact O-N 3.03Å; E75-E79 WeakPolarHBondContact O-CG 3.36Å; E75-E79 PolarHBondContact O-N 3.02Å |
| 76 | L | 93.5 | Very high | 91.8 | Very high | 99 Ų | 99 | 107 Ų | 107 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 176.1 | -73.4 | 171 | 0 | 0 | 0 | 112 | K72 I73 M78 E79 D80 | K72-L76 WeakPolarHBondContact O-CB 3.26Å; K72-L76 VanDerWaalsContact O-CG 3.26Å; K72-L76 WeakPolarHBondContact O-CG 3.18Å; K72-L76 PolarHBondContact O-N 3.21Å; I73-L76 PolarHBondContact O-N 2.83Å; L76-M78 VanDerWaalsContact C-N 3.29Å; L76-M78 PolarHBondContact O-N 3.38Å; L76-E79 PolarHBondContact O-N 3.34Å; L76-D80 WeakPolarHBondContact O-CB 3.29Å; L76-D80 PolarHBondContact O-N 3.26Å |
| 77 | Q | 94.6 | Very high | 91.8 | Very high | 124 Ų | 124 | 106.7 Ų | 106.7 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -37.2 | 175.4 | -74.7 | 174.3 | -2.2 | 0 | 0 | 112.5 | I73 R74 E75 K81 | I73-Q77 WeakPolarHBondContact O-CB 3.49Å; I73-Q77 VanDerWaalsContact O-CG 3.26Å; I73-Q77 WeakPolarHBondContact O-CG 3.48Å; I73-Q77 PolarHBondContact O-N 3.16Å; R74-Q77 PolarHBondContact O-N 3.17Å; E75-Q77 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 3.25Å; Q77-K81 WeakPolarHBondContact O-CB 3.27Å; Q77-K81 PolarHBondContact O-N 3.5Å |
| 78 | M | 93.9 | Very high | 91.8 | Very high | 88 Ų | 88 | 105.3 Ų | 105.3 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.5 | -44.2 | 176.2 | -74 | -65.4 | -59.4 | 0 | 0 | 111.5 | R74 E75 L76 K81 F82 | R74-M78 VanDerWaalsContact O-CG 3.31Å; R74-M78 WeakPolarHBondContact O-CG 3.48Å; R74-M78 PolarHBondContact O-N 3.15Å; E75-M78 CarbonylContact O-C 3.59Å; E75-M78 WeakPolarHBondContact O-CB 3.21Å; E75-M78 PolarHBondContact O-N 3.03Å; L76-M78 VanDerWaalsContact C-N 3.29Å; L76-M78 PolarHBondContact O-N 3.38Å; M78-K81 PolarHBondContact O-N 2.9Å; M78-F82 HydrophobicContact CE-CE2 3.68Å; M78-F82 HydrophobicContact CE-CZ 4.1Å; M78-F82 WeakPolarHBondContact O-CD2 3.45Å; M78-F82 PolarHBondContact O-N 3.2Å |
| 79 | E | 91.9 | Very high | 91.9 | Very high | 122 Ų | 122 | 109.1 Ų | 109.1 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.1 | -47 | 174.7 | -74 | -173.9 | 169.1 | 0 | 0 | 111.4 | E75 L76 K81 F82 F83 | E75-E79 WeakPolarHBondContact O-CG 3.36Å; E75-E79 PolarHBondContact O-N 3.02Å; L76-E79 PolarHBondContact O-N 3.34Å; E79-K81 VanDerWaalsContact C-N 3.33Å; E79-K81 PolarHBondContact O-N 3.31Å; E79-F82 PolarHBondContact O-N 2.98Å; E79-F83 WeakPolarHBondContact O-CB 3.24Å; E79-F83 PolarHBondContact O-N 3.49Å |
| 80 | D | 91.5 | Very high | 92 | Very high | 91 Ų | 91 | 111.6 Ų | 111.6 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 174.7 | -84.3 | -16 | 0 | 0 | 0 | 110.4 | L76 F82 F83 Y84 | L76-D80 WeakPolarHBondContact O-CB 3.29Å; L76-D80 PolarHBondContact O-N 3.26Å; D80-F82 PolarHBondContact O-N 3.46Å; D80-F83 PolarHBondContact O-N 3.18Å; D80-Y84 HydrophobicContact CB-CD2 4.33Å; D80-Y84 HydrophobicContact CB-CE2 4.4Å; D80-Y84 WeakPolarHBondContact O-CB 3.44Å; D80-Y84 WeakPolarHBondContact O-CD2 3.31Å; D80-Y84 PolarHBondContact O-N 3.13Å |
| 81 | K | 92.8 | Very high | 92 | Very high | 123 Ų | 123 | 106.3 Ų | 106.3 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 177.7 | -173.5 | 178.6 | 180 | 179.6 | 0 | 111.9 | Q77 M78 E79 F83 Y84 D85 | Q77-K81 WeakPolarHBondContact O-CB 3.27Å; Q77-K81 PolarHBondContact O-N 3.5Å; M78-K81 PolarHBondContact O-N 2.9Å; E79-K81 VanDerWaalsContact C-N 3.33Å; E79-K81 PolarHBondContact O-N 3.31Å; K81-F83 VanDerWaalsContact C-N 3.32Å; K81-F83 PolarHBondContact O-N 3.38Å; K81-Y84 PolarHBondContact O-N 3.17Å; K81-D85 WeakPolarHBondContact O-CB 3.44Å; K81-D85 VanDerWaalsContact O-CG 3.25Å; K81-D85 PolarHBondContact O-N 3.28Å |
| 82 | F | 92.5 | Very high | 91.9 | Very high | 139 Ų | 139 | 106.2 Ų | 106.2 | 61% | 0.61 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 177 | -79.7 | -62.6 | 0 | 0 | 0 | 112.2 | M78 E79 D80 R86 | M78-F82 HydrophobicContact CE-CE2 3.68Å; M78-F82 HydrophobicContact CE-CZ 4.1Å; M78-F82 WeakPolarHBondContact O-CD2 3.45Å; M78-F82 PolarHBondContact O-N 3.2Å; E79-F82 PolarHBondContact O-N 2.98Å; D80-F82 PolarHBondContact O-N 3.46Å; F82-R86 VanDerWaalsContact O-CB 3.32Å; F82-R86 WeakPolarHBondContact O-CB 3.42Å; F82-R86 PolarHBondContact O-N 3.03Å |
| 83 | F | 89.5 | Confident | 91.8 | Very high | 129 Ų | 129 | 111.4 Ų | 111.4 | 57% | 0.566 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -50.3 | 175.8 | 176.4 | -94.8 | 0 | 0 | 0 | 111.1 | E79 D80 K81 D85 R86 Y87 | E79-F83 WeakPolarHBondContact O-CB 3.24Å; E79-F83 PolarHBondContact O-N 3.49Å; D80-F83 PolarHBondContact O-N 3.18Å; K81-F83 VanDerWaalsContact C-N 3.32Å; K81-F83 PolarHBondContact O-N 3.38Å; F83-D85 PolarHBondContact O-N 3.39Å; F83-R86 PolarHBondContact O-N 3.48Å; F83-Y87 WeakPolarHBondContact O-CB 3.49Å; F83-Y87 PolarHBondContact O-N 3.17Å |
| 84 | Y | 88.3 | Confident | 91.7 | Very high | 118 Ų | 118 | 116.2 Ų | 116.2 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 178.3 | -82.8 | -67.4 | 0 | 0 | 0 | 112 | D80 K81 R86 Y87 A88 | D80-Y84 HydrophobicContact CB-CD2 4.33Å; D80-Y84 HydrophobicContact CB-CE2 4.4Å; D80-Y84 WeakPolarHBondContact O-CB 3.44Å; D80-Y84 WeakPolarHBondContact O-CD2 3.31Å; D80-Y84 PolarHBondContact O-N 3.13Å; K81-Y84 PolarHBondContact O-N 3.17Å; Y84-R86 VanDerWaalsContact C-N 3.34Å; Y84-R86 PolarHBondContact O-N 2.91Å; Y84-Y87 PolarHBondContact O-N 3.41Å; Y84-A88 WeakPolarHBondContact O-CB 3.46Å; Y84-A88 PolarHBondContact O-N 3.24Å |
| 85 | D | 92 | Very high | 91.5 | Very high | 79 Ų | 79 | 110.1 Ų | 110.1 | 42% | 0.422 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 176.5 | -76.3 | -14.4 | 0 | 0 | 0 | 111.6 | K81 F83 K89 | K81-D85 WeakPolarHBondContact O-CB 3.44Å; K81-D85 VanDerWaalsContact O-CG 3.25Å; K81-D85 PolarHBondContact O-N 3.28Å; F83-D85 PolarHBondContact O-N 3.39Å; D85-K89 WeakPolarHBondContact O-CG 3.36Å; D85-K89 PolarHBondContact O-N 3.42Å; D85-K89 VanDerWaalsContact O-N 3.1Å |
| 86 | R | 92.5 | Very high | 91.2 | Very high | 179 Ų | 179 | 109.5 Ų | 109.5 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.4 | -42.2 | 176.9 | -172.2 | 176.6 | -176.1 | 172.1 | 1.3 | 111.4 | F82 F83 Y84 Q90 | F82-R86 VanDerWaalsContact O-CB 3.32Å; F82-R86 WeakPolarHBondContact O-CB 3.42Å; F82-R86 PolarHBondContact O-N 3.03Å; F83-R86 PolarHBondContact O-N 3.48Å; Y84-R86 VanDerWaalsContact C-N 3.34Å; Y84-R86 PolarHBondContact O-N 2.91Å; R86-Q90 WeakPolarHBondContact O-CG 3.37Å; R86-Q90 PolarHBondContact O-N 2.89Å |
| 87 | Y | 91.2 | Very high | 91 | Very high | 70 Ų | 70 | 111.3 Ų | 111.3 | 28% | 0.275 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 176.3 | -177.5 | -90.6 | 0 | 0 | 0 | 111 | F83 Y84 K89 Q90 F91 L100 W104 | F83-Y87 WeakPolarHBondContact O-CB 3.49Å; F83-Y87 PolarHBondContact O-N 3.17Å; Y84-Y87 PolarHBondContact O-N 3.41Å; Y87-K89 PolarHBondContact O-N 3.37Å; Y87-Q90 CarbonylContact O-C 3.58Å; Y87-Q90 WeakPolarHBondContact O-CA 3.25Å; Y87-Q90 WeakPolarHBondContact O-CB 3.44Å; Y87-Q90 PolarHBondContact O-N 3.41Å; Y87-F91 HydrophobicContact CD1-CB 4.46Å; Y87-F91 HydrophobicContact CE1-CB 4.23Å; Y87-F91 HydrophobicContact CE1-CD2 4.21Å; Y87-F91 WeakPolarHBondContact O-CB 3.42Å; Y87-F91 PolarHBondContact O-N 2.92Å; Y87-L100 HydrophobicContact CD1-CD1 3.88Å; Y87-L100 HydrophobicContact CE1-CD1 3.57Å; Y87-W104 HydrophobicContact CD1-CZ2 4.06Å; Y87-W104 HydrophobicContact CE1-CH2 4.4Å; Y87-W104 AromaticContact CE1-CZ2 3.54Å; Y87-W104 HydrophobicContact CE1-CZ2 3.54Å; Y87-W104 AromaticContact CZ-CZ2 3.91Å |
| 88 | A | 89 | Confident | 90.5 | Very high | 20 Ų | 20 | 111.5 Ų | 111.5 | 17% | 0.165 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -55.7 | -49.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y84 Q90 F91 D92 L100 | Y84-A88 WeakPolarHBondContact O-CB 3.46Å; Y84-A88 PolarHBondContact O-N 3.24Å; A88-Q90 VanDerWaalsContact C-N 3.25Å; A88-Q90 PolarHBondContact O-N 2.88Å; A88-F91 WeakPolarHBondContact O-CB 3.49Å; A88-F91 PolarHBondContact O-N 3.49Å; A88-F91 VanDerWaalsContact O-N 3.08Å; A88-D92 WeakPolarHBondContact O-CB 3.46Å; A88-D92 VanDerWaalsContact O-CG 3.23Å; A88-D92 PolarHBondContact O-N 2.92Å; A88-L100 HydrophobicContact CB-CD2 3.58Å |
| 89 | K | 91.5 | Very high | 90.2 | Very high | 141 Ų | 141 | 111 Ų | 111 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.9 | -36.7 | 175 | -74.2 | 174 | -176 | 174.7 | 0 | 113.3 | D85 Y87 R93 | D85-K89 WeakPolarHBondContact O-CG 3.36Å; D85-K89 PolarHBondContact O-N 3.42Å; D85-K89 VanDerWaalsContact O-N 3.1Å; Y87-K89 PolarHBondContact O-N 3.37Å; K89-R93 WeakPolarHBondContact O-CB 3.35Å; K89-R93 WeakPolarHBondContact O-CD 3.33Å; K89-R93 WeakPolarHBondContact O-CG 3.33Å; K89-R93 PolarHBondContact O-N 3.29Å |
| 90 | Q | 92.4 | Very high | 89.9 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -75.3 | -39 | 176.5 | -70.9 | -176.8 | 2.4 | 0 | 0 | 112.2 | R86 Y87 A88 R93 R94 | R86-Q90 WeakPolarHBondContact O-CG 3.37Å; R86-Q90 PolarHBondContact O-N 2.89Å; Y87-Q90 CarbonylContact O-C 3.58Å; Y87-Q90 WeakPolarHBondContact O-CA 3.25Å; Y87-Q90 WeakPolarHBondContact O-CB 3.44Å; Y87-Q90 PolarHBondContact O-N 3.41Å; A88-Q90 VanDerWaalsContact C-N 3.25Å; A88-Q90 PolarHBondContact O-N 2.88Å; Q90-R93 PolarHBondContact O-N 3.11Å; Q90-R94 WeakPolarHBondContact O-CB 3.49Å; Q90-R94 PolarHBondContact O-N 3.05Å; Q90-R94 VanDerWaalsContact O-N 3.13Å |
| 91 | F | 91.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 108.7 Ų | 108.7 | 4% | 0.039 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.6 | -49.6 | 177.4 | -176.3 | -88.1 | 0 | 0 | 0 | 110.8 | Y87 A88 R93 R94 F95 R98 L100 F103 | Y87-F91 HydrophobicContact CD1-CB 4.46Å; Y87-F91 HydrophobicContact CE1-CB 4.23Å; Y87-F91 HydrophobicContact CE1-CD2 4.21Å; Y87-F91 WeakPolarHBondContact O-CB 3.42Å; Y87-F91 PolarHBondContact O-N 2.92Å; A88-F91 WeakPolarHBondContact O-CB 3.49Å; A88-F91 PolarHBondContact O-N 3.49Å; A88-F91 VanDerWaalsContact O-N 3.08Å; F91-R93 VanDerWaalsContact C-N 3.3Å; F91-R93 PolarHBondContact O-N 3.16Å; F91-R94 CarbonylContact O-C 3.6Å; F91-R94 PolarHBondContact O-N 3.01Å; F91-F95 AromaticContact CD2-CD2 3.87Å; F91-F95 HydrophobicContact CD2-CD2 3.87Å; F91-F95 HydrophobicContact CD2-CE2 4.43Å; F91-F95 HydrophobicContact CE1-CB 4.25Å; F91-F95 AromaticContact CE2-CD2 3.72Å; F91-F95 HydrophobicContact CE2-CD2 3.72Å; F91-F95 HydrophobicContact CE2-CE2 4.3Å; F91-F95 HydrophobicContact CG-CD2 4.38Å; F91-F95 HydrophobicContact CZ-CB 4.31Å; F91-F95 HydrophobicContact CZ-CD2 4.11Å; F91-F95 PolarHBondContact O-N 3.21Å; F91-R98 HydrophobicContact CE1-CB 3.87Å; F91-R98 HydrophobicContact CZ-CB 3.91Å; F91-L100 HydrophobicContact CB-CD1 3.95Å; F91-L100 HydrophobicContact CD1-CB 4.05Å; F91-L100 HydrophobicContact CD1-CD1 3.81Å; F91-L100 HydrophobicContact CD2-CD1 3.85Å; F91-L100 HydrophobicContact CE1-CB 4.22Å; F91-L100 HydrophobicContact CE1-CD1 4.26Å; F91-L100 HydrophobicContact CE2-CD1 4.29Å; F91-L100 HydrophobicContact CG-CD1 3.59Å; F91-L100 HydrophobicContact CZ-CD1 4.49Å; F91-F103 HydrophobicContact CE2-CB 4.07Å; F91-F103 AromaticContact CE2-CD1 3.7Å; F91-F103 HydrophobicContact CE2-CD1 3.7Å; F91-F103 HydrophobicContact CE2-CD2 4.09Å; F91-F103 HydrophobicContact CE2-CE1 4.14Å; F91-F103 HydrophobicContact CE2-CE2 4.49Å; F91-F103 AromaticContact CE2-CG 3.67Å; F91-F103 HydrophobicContact CE2-CG 3.67Å; F91-F103 HydrophobicContact CZ-CB 3.69Å; F91-F103 HydrophobicContact CZ-CD1 4.22Å; F91-F103 HydrophobicContact CZ-CD2 4.23Å; F91-F103 AromaticContact CZ-CG 3.78Å; F91-F103 HydrophobicContact CZ-CG 3.78Å |
| 92 | D | 89.4 | Confident | 89.3 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | -179.4 | -64.2 | -18.9 | 0 | 0 | 0 | 111.7 | A88 R94 F95 P96 | A88-D92 WeakPolarHBondContact O-CB 3.46Å; A88-D92 VanDerWaalsContact O-CG 3.23Å; A88-D92 PolarHBondContact O-N 2.92Å; D92-R94 VanDerWaalsContact C-N 3.33Å; D92-R94 PolarHBondContact O-N 3.46Å; D92-F95 CarbonylContact O-C 3.6Å; D92-P96 WeakPolarHBondContact O-CA 3.35Å |
| 93 | R | 90.7 | Very high | 89 | Confident | 215 Ų | 215 | 103 Ų | 103 | 81% | 0.811 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.8 | -37.3 | 173.4 | -77.9 | 174.7 | -179.9 | -169.7 | -0.2 | 112.8 | K89 Q90 F91 | K89-R93 WeakPolarHBondContact O-CB 3.35Å; K89-R93 WeakPolarHBondContact O-CD 3.33Å; K89-R93 WeakPolarHBondContact O-CG 3.33Å; K89-R93 PolarHBondContact O-N 3.29Å; Q90-R93 PolarHBondContact O-N 3.11Å; F91-R93 VanDerWaalsContact C-N 3.3Å; F91-R93 PolarHBondContact O-N 3.16Å |
| 94 | R | 91 | Very high | 88.8 | Confident | 194 Ų | 194 | 101.2 Ų | 101.2 | 73% | 0.732 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -85.4 | -33 | -176.7 | -171.6 | 174.5 | -179.7 | 178.2 | 0.9 | 112.5 | Q90 F91 D92 | Q90-R94 WeakPolarHBondContact O-CB 3.49Å; Q90-R94 PolarHBondContact O-N 3.05Å; Q90-R94 VanDerWaalsContact O-N 3.13Å; F91-R94 CarbonylContact O-C 3.6Å; F91-R94 PolarHBondContact O-N 3.01Å; D92-R94 VanDerWaalsContact C-N 3.33Å; D92-R94 PolarHBondContact O-N 3.46Å |
| 95 | F | 89.2 | Confident | 88.7 | Confident | 56 Ų | 56 | 99.9 Ų | 99.9 | 25% | 0.246 | 47% | 0.465 | C | S | . | . | trans | -134.1 | 67.5 | -174 | -56.3 | -65.1 | 0 | 0 | 0 | 111.1 | F91 D92 T97 R98 | F91-F95 AromaticContact CD2-CD2 3.87Å; F91-F95 HydrophobicContact CD2-CD2 3.87Å; F91-F95 HydrophobicContact CD2-CE2 4.43Å; F91-F95 HydrophobicContact CE1-CB 4.25Å; F91-F95 AromaticContact CE2-CD2 3.72Å; F91-F95 HydrophobicContact CE2-CD2 3.72Å; F91-F95 HydrophobicContact CE2-CE2 4.3Å; F91-F95 HydrophobicContact CG-CD2 4.38Å; F91-F95 HydrophobicContact CZ-CB 4.31Å; F91-F95 HydrophobicContact CZ-CD2 4.11Å; F91-F95 PolarHBondContact O-N 3.21Å; D92-F95 CarbonylContact O-C 3.6Å; F95-T97 PolarHBondContact O-N 3.24Å; F95-R98 HydrophobicContact CB-CB 3.97Å; F95-R98 HydrophobicContact CB-CG 4Å; F95-R98 PolarHBondContact O-N 3.36Å | ||
| 96 | P | 86.9 | Confident | 88.5 | Confident | 108 Ų | 108 | 103 Ų | 103 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.9 | -173.8 | 24.6 | -35.1 | 0 | 0 | 0 | 113.9 | D92 | D92-P96 WeakPolarHBondContact O-CA 3.35Š|
| 97 | T | 89.2 | Confident | 88.2 | Confident | 136 Ų | 136 | 97.8 Ų | 97.8 | 83% | 0.834 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.7 | 179.3 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | F95 | F95-T97 PolarHBondContact O-N 3.24Š|
| 98 | R | 84.5 | Confident | 87.8 | Confident | 129 Ų | 129 | 98 Ų | 98 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -109.9 | 137.5 | -177.4 | -61.2 | -174.9 | -176.9 | 172.7 | -1.5 | 109.4 | F91 F95 | F91-R98 HydrophobicContact CE1-CB 3.87Å; F91-R98 HydrophobicContact CZ-CB 3.91Å; F95-R98 HydrophobicContact CB-CB 3.97Å; F95-R98 HydrophobicContact CB-CG 4Å; F95-R98 PolarHBondContact O-N 3.36Å |
| 99 | N | 86.5 | Confident | 87.7 | Confident | 78 Ų | 78 | 107 Ų | 107 | 42% | 0.417 | 50% | 0.501 | S | S | . | . | trans | -85.7 | 128.3 | 168.3 | -179.4 | -7.6 | 0 | 0 | 0 | 109.1 | E101 T102 F103 | N99-E101 VanDerWaalsContact C-N 3.29Å; N99-E101 PolarHBondContact O-N 3.37Å; N99-E101 PolarHBondContact OD1-N 3.09Å; N99-T102 HydrophobicContact CB-CG2 4.02Å; N99-T102 PolarHBondContact O-N 3.08Å; N99-T102 PolarHBondContact O-OG1 2.97Å; N99-F103 PolarHBondContact O-N 2.93Å; N99-F103 VanDerWaalsContact O-N 3.08Å | ||
| 100 | L | 86 | Confident | 87.4 | Confident | 26 Ų | 26 | 104.7 Ų | 104.7 | 14% | 0.136 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -53 | -43.2 | 177 | -176.4 | 67.4 | 0 | 0 | 0 | 112.8 | Y87 A88 F91 T102 F103 W104 | Y87-L100 HydrophobicContact CD1-CD1 3.88Å; Y87-L100 HydrophobicContact CE1-CD1 3.57Å; A88-L100 HydrophobicContact CB-CD2 3.58Å; F91-L100 HydrophobicContact CB-CD1 3.95Å; F91-L100 HydrophobicContact CD1-CB 4.05Å; F91-L100 HydrophobicContact CD1-CD1 3.81Å; F91-L100 HydrophobicContact CD2-CD1 3.85Å; F91-L100 HydrophobicContact CE1-CB 4.22Å; F91-L100 HydrophobicContact CE1-CD1 4.26Å; F91-L100 HydrophobicContact CE2-CD1 4.29Å; F91-L100 HydrophobicContact CG-CD1 3.59Å; F91-L100 HydrophobicContact CZ-CD1 4.49Å; L100-T102 PolarHBondContact O-N 2.93Å; L100-F103 WeakPolarHBondContact O-CB 3.43Å; L100-F103 PolarHBondContact O-N 3.19Å; L100-F103 VanDerWaalsContact O-N 3.15Å; L100-W104 PolarHBondContact O-N 2.92Å |
| 101 | E | 84.8 | Confident | 86.7 | Confident | 137 Ų | 137 | 104.6 Ų | 104.6 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -47.3 | 179.9 | -64.7 | 174.6 | 166 | 0 | 0 | 110.9 | N99 F103 W104 D105 | N99-E101 VanDerWaalsContact C-N 3.29Å; N99-E101 PolarHBondContact O-N 3.37Å; N99-E101 PolarHBondContact OD1-N 3.09Å; E101-F103 PolarHBondContact O-N 3.37Å; E101-W104 PolarHBondContact O-N 3.15Å; E101-D105 PolarHBondContact O-N 3.49Å |
| 102 | T | 86.7 | Confident | 86 | Confident | 82 Ų | 82 | 115.4 Ų | 115.4 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -29.8 | 177.9 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | N99 L100 K106 | N99-T102 HydrophobicContact CB-CG2 4.02Å; N99-T102 PolarHBondContact O-N 3.08Å; N99-T102 PolarHBondContact O-OG1 2.97Å; L100-T102 PolarHBondContact O-N 2.93Å; T102-K106 WeakPolarHBondContact O-CB 3.39Å; T102-K106 PolarHBondContact O-N 2.99Å; T102-K106 VanDerWaalsContact O-N 3.11Å |
| 103 | F | 86.5 | Confident | 85.3 | Confident | 61 Ų | 61 | 118.9 Ų | 118.9 | 27% | 0.268 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.1 | -45 | 176 | 175.8 | -98.8 | 0 | 0 | 0 | 111.2 | F91 N99 L100 E101 K106 L107 | F91-F103 HydrophobicContact CE2-CB 4.07Å; F91-F103 AromaticContact CE2-CD1 3.7Å; F91-F103 HydrophobicContact CE2-CD1 3.7Å; F91-F103 HydrophobicContact CE2-CD2 4.09Å; F91-F103 HydrophobicContact CE2-CE1 4.14Å; F91-F103 HydrophobicContact CE2-CE2 4.49Å; F91-F103 AromaticContact CE2-CG 3.67Å; F91-F103 HydrophobicContact CE2-CG 3.67Å; F91-F103 HydrophobicContact CZ-CB 3.69Å; F91-F103 HydrophobicContact CZ-CD1 4.22Å; F91-F103 HydrophobicContact CZ-CD2 4.23Å; F91-F103 AromaticContact CZ-CG 3.78Å; F91-F103 HydrophobicContact CZ-CG 3.78Å; N99-F103 PolarHBondContact O-N 2.93Å; N99-F103 VanDerWaalsContact O-N 3.08Å; L100-F103 WeakPolarHBondContact O-CB 3.43Å; L100-F103 PolarHBondContact O-N 3.19Å; L100-F103 VanDerWaalsContact O-N 3.15Å; E101-F103 PolarHBondContact O-N 3.37Å; F103-K106 PolarHBondContact O-N 3.1Å; F103-L107 WeakPolarHBondContact O-CB 3.32Å; F103-L107 PolarHBondContact O-N 2.88Å |
| 104 | W | 85.2 | Confident | 84.1 | Confident | 92 Ų | 92 | 116.8 Ų | 116.8 | 35% | 0.348 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64 | -42.5 | 176 | -72.2 | 122.2 | 0 | 0 | 0 | 112.4 | Y87 L100 E101 K106 L107 S108 | Y87-W104 HydrophobicContact CD1-CZ2 4.06Å; Y87-W104 HydrophobicContact CE1-CH2 4.4Å; Y87-W104 AromaticContact CE1-CZ2 3.54Å; Y87-W104 HydrophobicContact CE1-CZ2 3.54Å; Y87-W104 AromaticContact CZ-CZ2 3.91Å; L100-W104 PolarHBondContact O-N 2.92Å; E101-W104 PolarHBondContact O-N 3.15Å; W104-K106 VanDerWaalsContact C-N 3.29Å; W104-K106 PolarHBondContact O-N 3.43Å; W104-L107 HydrophobicContact CE3-CD2 3.73Å; W104-L107 HydrophobicContact CZ3-CD2 3.56Å; W104-L107 PolarHBondContact O-N 3.34Å; W104-L107 VanDerWaalsContact O-N 3.15Å; W104-S108 PolarHBondContact O-N 2.88Å; W104-S108 PolarHBondContact O-OG 3.45Å |
| 105 | D | 87.1 | Confident | 82 | Confident | 89 Ų | 89 | 117.3 Ų | 117.3 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.7 | -38.8 | 175.4 | -79.7 | -16.5 | 0 | 0 | 0 | 112.6 | E101 S108 R109 | E101-D105 PolarHBondContact O-N 3.49Å; D105-S108 PolarHBondContact O-OG 3.19Å; D105-R109 VanDerWaalsContact O-CG 3.26Å; D105-R109 WeakPolarHBondContact O-CG 3.47Å; D105-R109 PolarHBondContact O-N 3.4Å |
| 106 | K | 87 | Confident | 81.6 | Confident | 146 Ų | 146 | 120.4 Ų | 120.4 | 64% | 0.635 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.7 | -39.4 | 175.7 | -171.5 | 175.4 | -177.8 | 176.2 | 0 | 111.3 | T102 F103 W104 T110 | T102-K106 WeakPolarHBondContact O-CB 3.39Å; T102-K106 PolarHBondContact O-N 2.99Å; T102-K106 VanDerWaalsContact O-N 3.11Å; F103-K106 PolarHBondContact O-N 3.1Å; W104-K106 VanDerWaalsContact C-N 3.29Å; W104-K106 PolarHBondContact O-N 3.43Å; K106-T110 WeakPolarHBondContact O-CB 3.47Å; K106-T110 WeakPolarHBondContact O-CG2 3.35Å; K106-T110 PolarHBondContact O-N 3.09Å; K106-T110 VanDerWaalsContact O-N 3.16Å; K106-T110 PolarHBondContact O-OG1 2.95Å |
| 107 | L | 85.4 | Confident | 81.4 | Confident | 69 Ų | 69 | 121.1 Ų | 121.1 | 36% | 0.361 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.7 | -44.9 | 177.9 | -170.5 | 70.4 | 0 | 0 | 0 | 110.9 | F103 W104 R109 T110 K111 | F103-L107 WeakPolarHBondContact O-CB 3.32Å; F103-L107 PolarHBondContact O-N 2.88Å; W104-L107 HydrophobicContact CE3-CD2 3.73Å; W104-L107 HydrophobicContact CZ3-CD2 3.56Å; W104-L107 PolarHBondContact O-N 3.34Å; W104-L107 VanDerWaalsContact O-N 3.15Å; L107-R109 PolarHBondContact O-N 3.29Å; L107-T110 PolarHBondContact O-N 3.28Å; L107-T110 PolarHBondContact O-OG1 3.18Å; L107-K111 WeakPolarHBondContact O-CB 3.31Å; L107-K111 PolarHBondContact O-N 3.3Å |
| 108 | S | 84.3 | Confident | 80.9 | Confident | 73 Ų | 73 | 120.2 Ų | 120.2 | 51% | 0.51 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.5 | -39.4 | 179.9 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | W104 D105 | W104-S108 PolarHBondContact O-N 2.88Å; W104-S108 PolarHBondContact O-OG 3.45Å; D105-S108 PolarHBondContact O-OG 3.19Å |
| 109 | R | 86.1 | Confident | 80.7 | Confident | 209 Ų | 209 | 119.7 Ų | 119.7 | 79% | 0.789 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.5 | -31.3 | 177.3 | -70.2 | 175.3 | -171.7 | -173.2 | 4.9 | 114 | D105 L107 | D105-R109 VanDerWaalsContact O-CG 3.26Å; D105-R109 WeakPolarHBondContact O-CG 3.47Å; D105-R109 PolarHBondContact O-N 3.4Å; L107-R109 PolarHBondContact O-N 3.29Å |
| 110 | T | 84.9 | Confident | 80.4 | Confident | 93 Ų | 93 | 122.3 Ų | 122.3 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -93.5 | -20 | -175.5 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | K106 L107 R112 | K106-T110 WeakPolarHBondContact O-CB 3.47Å; K106-T110 WeakPolarHBondContact O-CG2 3.35Å; K106-T110 PolarHBondContact O-N 3.09Å; K106-T110 VanDerWaalsContact O-N 3.16Å; K106-T110 PolarHBondContact O-OG1 2.95Å; L107-T110 PolarHBondContact O-N 3.28Å; L107-T110 PolarHBondContact O-OG1 3.18Å; T110-R112 PolarHBondContact O-N 3.21Å; T110-R112 VanDerWaalsContact O-N 3.13Å |
| 111 | K | 77.6 | Confident | 80 | Confident | 111 Ų | 111 | 128.7 Ų | 128.7 | 48% | 0.483 | 62% | 0.617 | S | S | . | * | trans | -71.5 | 107 | -179.5 | -167.7 | 171.5 | 178.9 | -166.5 | 0 | 110.2 | L107 Y113 | L107-K111 WeakPolarHBondContact O-CB 3.31Å; L107-K111 PolarHBondContact O-N 3.3Å; K111-Y113 HydrophobicContact CD-CE1 3.91Å; K111-Y113 HydrophobicContact CD-CE2 4.4Å; K111-Y113 HydrophobicContact CG-CE1 4.3Å; K111-Y113 HydrophobicContact CG-CE2 4.35Å; K111-Y113 PolarHBondContact NZ-OH 3.46Å | ||
| 112 | R | 77.7 | Confident | 79.6 | Confident | 236 Ų | 236 | 128.1 Ų | 128.1 | 89% | 0.891 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 125.3 | 163 | -65.4 | -175.3 | 177.8 | -178 | -1.3 | 107.5 | T110 | T110-R112 PolarHBondContact O-N 3.21Å; T110-R112 VanDerWaalsContact O-N 3.13Å |
| 113 | Y | 73.5 | Confident | 79.1 | Confident | 156 Ų | 156 | 131.7 Ų | 131.7 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -87 | 131.9 | 167.4 | -63.3 | -83 | 0 | 0 | 0 | 107.1 | K111 V115 | K111-Y113 HydrophobicContact CD-CE1 3.91Å; K111-Y113 HydrophobicContact CD-CE2 4.4Å; K111-Y113 HydrophobicContact CG-CE1 4.3Å; K111-Y113 HydrophobicContact CG-CE2 4.35Å; K111-Y113 PolarHBondContact NZ-OH 3.46Å; Y113-V115 PolarHBondContact O-N 2.69Å |
| 114 | D | 65.9 | Low | 78.5 | Confident | 171 Ų | 171 | 137.6 Ų | 137.6 | 91% | 0.914 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 118.6 | 164.2 | -76.1 | -26.5 | 0 | 0 | 0 | 106.8 | ||
| 115 | V | 47.1 | Very low | 77.9 | Confident | 206 Ų | 206 | 141.7 Ų | 141.7 | 100% | 1.248 | 68% | 0.681 | S | S | * | * | trans | -97.2 | 0 | 169.3 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | Y113 | Y113-V115 PolarHBondContact O-N 2.69Š|
Retrieved 115 of 115 residues in 26.6 ms
(Link to these results)