| 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 | 38.9 | Very low | 53.9 | Low | 245 Ų | 245 | 123.7 Ų | 123.7 | 100% | 1.207 | 74% | 0.74 | S | S | * | * | 0 | 107.5 | 0 | -72.9 | -177.2 | 162.4 | 0 | 0 | 106.5 | |||||
| 2 | A | 41.4 | Very low | 54.6 | Low | 104 Ų | 104 | 117.5 Ų | 117.5 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -91.2 | 116.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | S | 49.3 | Very low | 55.7 | Low | 98 Ų | 98 | 116.1 Ų | 116.1 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | trans | -76.8 | 130.6 | 176.3 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | T5 | S3-T5 PolarHBondContact O-N 3.35Š| ||
| 4 | P | 47.3 | Very low | 56.4 | Low | 129 Ų | 129 | 116.8 Ų | 116.8 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | trans | -90.3 | 92.7 | 171.9 | 33.1 | -24.7 | 0 | 0 | 0 | 108.1 | ||||
| 5 | T | 53.8 | Low | 56.6 | Low | 101 Ų | 101 | 116.1 Ų | 116.1 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | trans | -118.6 | 3.8 | 177 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | S3 | S3-T5 PolarHBondContact O-N 3.35Š| ||
| 6 | D | 56.1 | Low | 56.9 | Low | 143 Ų | 143 | 115.1 Ų | 115.1 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -81.7 | -11.8 | -176.8 | -81.7 | -20.7 | 0 | 0 | 0 | 114.9 | ||
| 7 | G | 56.5 | Low | 57.3 | Low | 57 Ų | 57 | 119.1 Ų | 119.1 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -76 | -31.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 8 | T | 58.2 | Low | 57.6 | Low | 112 Ų | 112 | 119.6 Ų | 119.6 | 69% | 0.687 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -79.2 | -26.8 | -175 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | A12 | T8-A12 WeakPolarHBondContact O-CB 3.49Å; T8-A12 PolarHBondContact O-N 2.92Å; T8-A12 VanDerWaalsContact O-N 3.12Å |
| 9 | D | 62.2 | Low | 57.9 | Low | 125 Ų | 125 | 122.6 Ų | 122.6 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -78.8 | -33 | -177 | -150.1 | 30.3 | 0 | 0 | 0 | 111.8 | A12 S13 | D9-A12 PolarHBondContact O-N 3.08Å; D9-S13 PolarHBondContact O-N 3.17Å |
| 10 | L | 66.6 | Low | 57.7 | Low | 118 Ų | 118 | 121.5 Ų | 121.5 | 62% | 0.618 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69.3 | -44.6 | 173.6 | -174.3 | 66.1 | 0 | 0 | 0 | 112 | A12 S13 L14 | L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3.36Å; L10-S13 PolarHBondContact O-N 3.44Å; L10-S13 VanDerWaalsContact O-N 3.14Å; L10-L14 HydrophobicContact CG-CD1 4.45Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 2.9Å; L10-L14 VanDerWaalsContact O-N 3.1Å |
| 11 | E | 62.5 | Low | 57.8 | Low | 129 Ų | 129 | 122.8 Ų | 122.8 | 60% | 0.603 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -58.9 | -41 | 173.5 | -84.5 | -76.9 | 145.3 | 0 | 0 | 111.2 | S13 L14 L15 | E11-S13 VanDerWaalsContact C-N 3.33Å; E11-S13 PolarHBondContact O-N 3.32Å; E11-L14 PolarHBondContact O-N 2.69Å; E11-L15 PolarHBondContact O-N 2.92Å |
| 12 | A | 62.3 | Low | 58.7 | Low | 49 Ų | 49 | 118 Ų | 118 | 41% | 0.405 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.4 | -36.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T8 D9 L10 L14 L15 | T8-A12 WeakPolarHBondContact O-CB 3.49Å; T8-A12 PolarHBondContact O-N 2.92Å; T8-A12 VanDerWaalsContact O-N 3.12Å; D9-A12 PolarHBondContact O-N 3.08Å; L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3.36Å; A12-L14 VanDerWaalsContact C-N 3.3Å; A12-L14 PolarHBondContact O-N 3.14Å; A12-L15 PolarHBondContact O-N 3.39Å |
| 13 | S | 69.6 | Low | 59.5 | Low | 99 Ų | 99 | 117.3 Ų | 117.3 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.9 | -19.2 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 113.8 | D9 L10 E11 | D9-S13 PolarHBondContact O-N 3.17Å; L10-S13 PolarHBondContact O-N 3.44Å; L10-S13 VanDerWaalsContact O-N 3.14Å; E11-S13 VanDerWaalsContact C-N 3.33Å; E11-S13 PolarHBondContact O-N 3.32Å |
| 14 | L | 64.8 | Low | 59.3 | Low | 126 Ų | 126 | 117.8 Ų | 117.8 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -88.6 | -10.6 | 176.9 | -70 | 169.8 | 0 | 0 | 0 | 113.1 | L10 E11 A12 S16 | L10-L14 HydrophobicContact CG-CD1 4.45Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 2.9Å; L10-L14 VanDerWaalsContact O-N 3.1Å; E11-L14 PolarHBondContact O-N 2.69Å; A12-L14 VanDerWaalsContact C-N 3.3Å; A12-L14 PolarHBondContact O-N 3.14Å; L14-S16 PolarHBondContact O-N 3.3Å |
| 15 | L | 59.5 | Low | 59.6 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 56% | 0.555 | 65% | 0.649 | S | S | * | * | trans | -79.7 | 105.1 | 175.1 | -71.2 | 163.5 | 0 | 0 | 0 | 110 | E11 A12 F17 | E11-L15 PolarHBondContact O-N 2.92Å; A12-L15 PolarHBondContact O-N 3.39Å; L15-F17 HydrophobicContact CB-CE2 4.46Å; L15-F17 HydrophobicContact CB-CZ 4.49Å; L15-F17 PolarHBondContact O-N 2.91Å | ||
| 16 | S | 61.8 | Low | 59.7 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | trans | -73.8 | 111.9 | 169.9 | 60.5 | 0 | 0 | 0 | 0 | 110.1 | L14 E18 | L14-S16 PolarHBondContact O-N 3.3Å; S16-E18 PolarHBondContact O-N 3.4Å | ||
| 17 | F | 63.4 | Low | 59.5 | Low | 183 Ų | 183 | 116.6 Ų | 116.6 | 80% | 0.803 | 65% | 0.65 | S | S | * | * | trans | -78 | 17.1 | 171.7 | -63.3 | -81.5 | 0 | 0 | 0 | 113.4 | L15 K19 | L15-F17 HydrophobicContact CB-CE2 4.46Å; L15-F17 HydrophobicContact CB-CZ 4.49Å; L15-F17 PolarHBondContact O-N 2.91Å; F17-K19 PolarHBondContact O-N 3.03Å | ||
| 18 | E | 63.4 | Low | 59.5 | Low | 129 Ų | 129 | 116.6 Ų | 116.6 | 60% | 0.603 | 63% | 0.632 | S | S | * | * | trans | -71.3 | 108.9 | 178.4 | -171.7 | 171.1 | -172.1 | 0 | 0 | 109.4 | S16 L20 | S16-E18 PolarHBondContact O-N 3.4Å; E18-L20 PolarHBondContact O-N 3.46Å | ||
| 19 | K | 62.9 | Low | 59.3 | Low | 176 Ų | 176 | 116.7 Ų | 116.7 | 77% | 0.765 | 64% | 0.635 | S | S | * | * | trans | -72.4 | 94.4 | 169.6 | -71 | -169 | 178.5 | -173.5 | 0 | 108.8 | F17 D21 | F17-K19 PolarHBondContact O-N 3.03Å; K19-D21 PolarHBondContact O-N 2.9Å | ||
| 20 | L | 54.3 | Low | 59.1 | Low | 101 Ų | 101 | 116.9 Ų | 116.9 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | trans | -68.8 | 76.4 | 160 | -80 | 148.4 | 0 | 0 | 0 | 108.1 | E18 R22 | E18-L20 PolarHBondContact O-N 3.46Å; L20-R22 HydrophobicContact CD2-CB 4.27Å; L20-R22 PolarHBondContact O-N 3.29Å | ||
| 21 | D | 58.8 | Low | 58.9 | Low | 149 Ų | 149 | 120.6 Ų | 120.6 | 80% | 0.797 | 65% | 0.646 | S | S | * | * | trans | -69.5 | 36.6 | 161.2 | -72.9 | -29 | 0 | 0 | 0 | 110.3 | K19 | K19-D21 PolarHBondContact O-N 2.9Š| ||
| 22 | R | 58.9 | Low | 58.9 | Low | 144 Ų | 144 | 115.5 Ų | 115.5 | 54% | 0.543 | 62% | 0.623 | S | S | . | * | trans | -121.1 | 52.9 | 178.8 | -65.4 | -171.2 | 174.9 | -171.2 | -2.9 | 107.9 | L20 S24 N85 | L20-R22 HydrophobicContact CD2-CB 4.27Å; L20-R22 PolarHBondContact O-N 3.29Å; R22-S24 PolarHBondContact O-N 3.32Å; R22-S24 VanDerWaalsContact O-N 3.16Å; R22-N85 PolarHBondContact NH1-OD1 3.28Å; R22-N85 VanDerWaalsContact NH1-OD1 3.17Å | ||
| 23 | A | 56.8 | Low | 59 | Low | 90 Ų | 90 | 118.4 Ų | 118.4 | 74% | 0.744 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 127.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | P25 | A23-P25 VanDerWaalsContact O-N 3.16Š|
| 24 | S | 46.1 | Very low | 58.9 | Low | 108 Ų | 108 | 114.5 Ų | 114.5 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 128.1 | 171.8 | -62.9 | 0 | 0 | 0 | 0 | 107.2 | R22 D26 | R22-S24 PolarHBondContact O-N 3.32Å; R22-S24 VanDerWaalsContact O-N 3.16Å; S24-D26 PolarHBondContact O-N 2.99Å |
| 25 | P | 53.3 | Low | 59.1 | Low | 82 Ų | 82 | 110.3 Ų | 110.3 | 53% | 0.532 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -48.6 | 134.1 | 179.4 | -26.2 | 32.8 | 0 | 0 | 0 | 109.4 | A23 L27 | A23-P25 VanDerWaalsContact O-N 3.16Å; P25-L27 PolarHBondContact O-N 3.3Å |
| 26 | D | 56.3 | Low | 59.6 | Low | 136 Ų | 136 | 109.1 Ų | 109.1 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 129.9 | -180 | -127.7 | -6.1 | 0 | 0 | 0 | 108.6 | S24 W28 P29 | S24-D26 PolarHBondContact O-N 2.99Å; D26-W28 PolarHBondContact O-N 3.35Å; D26-P29 HydrophobicContact CB-CG 4.18Å; D26-P29 WeakPolarHBondContact O-CD 3.41Å |
| 27 | L | 50.4 | Low | 60 | Low | 129 Ų | 129 | 109.1 Ų | 109.1 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -69.2 | 99.3 | -175.5 | -153.9 | 93.8 | 0 | 0 | 0 | 108.1 | P25 | P25-L27 PolarHBondContact O-N 3.3Š|
| 28 | W | 56.8 | Low | 60.1 | Low | 58 Ų | 58 | 104.7 Ų | 104.7 | 22% | 0.22 | 57% | 0.567 | C | S | . | * | trans | 59.9 | 79.6 | -176.9 | -43.5 | 96.2 | 0 | 0 | 0 | 113.6 | D26 E30 L32 E94 S95 M98 | D26-W28 PolarHBondContact O-N 3.35Å; W28-E30 PolarHBondContact O-N 2.97Å; W28-E30 VanDerWaalsContact O-N 3.09Å; W28-L32 HydrophobicContact CE3-CD1 4.05Å; W28-E94 HydrophobicContact CH2-CG 4.12Å; W28-E94 WeakPolarHBondContact CH2-O 3.36Å; W28-E94 HydrophobicContact CZ2-CG 3.79Å; W28-S95 VanDerWaalsContact CH2-CA 3.44Å; W28-M98 HydrophobicContact CD2-CE 4.15Å; W28-M98 HydrophobicContact CE3-CB 3.88Å; W28-M98 HydrophobicContact CE3-CE 4.37Å; W28-M98 HydrophobicContact CH2-CB 2.96Å; W28-M98 HydrophobicContact CH2-CE 4.33Å; W28-M98 HydrophobicContact CH2-CG 3.13Å; W28-M98 HydrophobicContact CZ2-CB 3.71Å; W28-M98 HydrophobicContact CZ2-CE 3.99Å; W28-M98 HydrophobicContact CZ2-CG 3.35Å; W28-M98 HydrophobicContact CZ2-SD 4.41Å; W28-M98 HydrophobicContact CZ3-CB 3.02Å; W28-M98 HydrophobicContact CZ3-CE 4.48Å; W28-M98 HydrophobicContact CZ3-CG 3.75Å | ||
| 29 | P | 55.6 | Low | 60.3 | Low | 114 Ų | 114 | 101.6 Ų | 101.6 | 74% | 0.74 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -60.4 | -25.5 | -180 | -18.5 | 30.4 | 0 | 0 | 0 | 113 | D26 | D26-P29 HydrophobicContact CB-CG 4.18Å; D26-P29 WeakPolarHBondContact O-CD 3.41Å |
| 30 | E | 58 | Low | 60.4 | Low | 128 Ų | 128 | 96.9 Ų | 96.9 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -97.5 | 128.3 | 172.2 | -70.1 | -162.8 | 163.7 | 0 | 0 | 111.5 | W28 L32 K102 | W28-E30 PolarHBondContact O-N 2.97Å; W28-E30 VanDerWaalsContact O-N 3.09Å; E30-L32 PolarHBondContact O-N 3.49Å; E30-K102 IonicContact OE2-NZ 3.69Å; E30-K102 PolarHBondContact OE2-NZ 2.81Å |
| 31 | Q | 60.8 | Low | 60.7 | Low | 197 Ų | 197 | 96 Ų | 96 | 92% | 0.921 | 56% | 0.56 | S | S | * | * | trans | -61.5 | 101 | 166.2 | -98.7 | -178.5 | 2.2 | 0 | 0 | 109.8 | P33 | Q31-P33 WeakPolarHBondContact O-CD 3.33Š| ||
| 32 | L | 62.8 | Low | 60.5 | Low | 22 Ų | 22 | 94.6 Ų | 94.6 | 12% | 0.115 | 55% | 0.547 | C | S | . | . | trans | -71.9 | 119.7 | 172.5 | -65.8 | -177.2 | 0 | 0 | 0 | 109.3 | W28 E30 G34 V35 M98 K102 | W28-L32 HydrophobicContact CE3-CD1 4.05Å; E30-L32 PolarHBondContact O-N 3.49Å; L32-G34 PolarHBondContact O-N 3.4Å; L32-V35 HydrophobicContact CB-CB 4.04Å; L32-V35 HydrophobicContact CB-CG2 3.4Å; L32-V35 HydrophobicContact CD1-CG2 3.99Å; L32-V35 HydrophobicContact CG-CG2 4.3Å; L32-V35 WeakPolarHBondContact O-CB 3.47Å; L32-V35 PolarHBondContact O-N 2.9Å; L32-V35 VanDerWaalsContact O-N 3.09Å; L32-M98 HydrophobicContact CD1-CE 4.15Å; L32-K102 HydrophobicContact CD2-CB 4.18Å; L32-K102 HydrophobicContact CD2-CD 3.33Å; L32-K102 HydrophobicContact CD2-CG 3.78Å | ||
| 33 | P | 65.2 | Low | 60.2 | Low | 110 Ų | 110 | 96.8 Ų | 96.8 | 71% | 0.714 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 131.8 | 177.5 | -22.5 | 32.5 | 0 | 0 | 0 | 110.4 | Q31 V35 | Q31-P33 WeakPolarHBondContact O-CD 3.33Å; P33-V35 VanDerWaalsContact C-N 3.32Å; P33-V35 PolarHBondContact O-N 3.2Å |
| 34 | G | 66.6 | Low | 59.6 | Low | 17 Ų | 17 | 95 Ų | 95 | 18% | 0.175 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -14 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L32 E37 F38 | L32-G34 PolarHBondContact O-N 3.4Å; G34-E37 PolarHBondContact O-N 2.9Å; G34-F38 WeakPolarHBondContact O-CA 3.27Å; G34-F38 WeakPolarHBondContact O-CB 3.4Å; G34-F38 PolarHBondContact O-N 3.29Å |
| 35 | V | 69.8 | Low | 59.6 | Low | 38 Ų | 38 | 95.4 Ų | 95.4 | 23% | 0.23 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 177.2 | 165.7 | 0 | 0 | 0 | 0 | 112.2 | L32 P33 E37 F38 A39 M98 L107 | L32-V35 HydrophobicContact CB-CB 4.04Å; L32-V35 HydrophobicContact CB-CG2 3.4Å; L32-V35 HydrophobicContact CD1-CG2 3.99Å; L32-V35 HydrophobicContact CG-CG2 4.3Å; L32-V35 WeakPolarHBondContact O-CB 3.47Å; L32-V35 PolarHBondContact O-N 2.9Å; L32-V35 VanDerWaalsContact O-N 3.09Å; P33-V35 VanDerWaalsContact C-N 3.32Å; P33-V35 PolarHBondContact O-N 3.2Å; V35-E37 VanDerWaalsContact C-N 3.3Å; V35-E37 PolarHBondContact O-N 3.23Å; V35-F38 PolarHBondContact O-N 3.41Å; V35-A39 WeakPolarHBondContact O-CB 3.45Å; V35-A39 PolarHBondContact O-N 3.02Å; V35-M98 HydrophobicContact CG2-CE 4.12Å; V35-L107 HydrophobicContact CG2-CD1 3.47Å; V35-L107 VanDerWaalsContact CG2-CD1 3.47Å |
| 36 | A | 69 | Low | 59.6 | Low | 80 Ų | 80 | 98.2 Ų | 98.2 | 66% | 0.661 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.6 | -39.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A40 | A36-A40 VanDerWaalsContact O-CB 3.31Å; A36-A40 WeakPolarHBondContact O-CB 3.49Å; A36-A40 PolarHBondContact O-N 3.5Å |
| 37 | E | 70.3 | Confident | 59.4 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -74.4 | -33.5 | 178.5 | -58 | -177.5 | 135.6 | 0 | 0 | 111.9 | G34 V35 S41 K109 | G34-E37 PolarHBondContact O-N 2.9Å; V35-E37 VanDerWaalsContact C-N 3.3Å; V35-E37 PolarHBondContact O-N 3.23Å; E37-S41 WeakPolarHBondContact O-CA 3.46Å; E37-S41 WeakPolarHBondContact O-CB 3.45Å; E37-S41 PolarHBondContact O-N 2.97Å; E37-S41 PolarHBondContact O-OG 3.02Å; E37-K109 IonicContact OE1-NZ 3.21Å; E37-K109 PolarHBondContact OE1-NZ 2.95Å; E37-K109 VanDerWaalsContact OE2-CE 3.29Å; E37-K109 WeakPolarHBondContact OE2-CE 3.35Å; E37-K109 IonicContact OE2-NZ 2.71Å; E37-K109 PolarHBondContact OE2-NZ 2.86Å |
| 38 | F | 66.9 | Low | 59.5 | Low | 90 Ų | 90 | 96.2 Ų | 96.2 | 40% | 0.395 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -43.7 | 172.8 | 180 | -97.8 | 0 | 0 | 0 | 110.8 | G34 V35 A40 S41 F42 L107 | G34-F38 WeakPolarHBondContact O-CA 3.27Å; G34-F38 WeakPolarHBondContact O-CB 3.4Å; G34-F38 PolarHBondContact O-N 3.29Å; V35-F38 PolarHBondContact O-N 3.41Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 3.37Å; F38-S41 CarbonylContact O-C 3.5Å; F38-S41 PolarHBondContact O-N 3.29Å; F38-F42 HydrophobicContact CD1-CD2 4.15Å; F38-F42 AromaticContact CE1-CD2 3.62Å; F38-F42 HydrophobicContact CE1-CD2 3.62Å; F38-F42 AromaticContact CE1-CE2 3.64Å; F38-F42 HydrophobicContact CE1-CE2 3.64Å; F38-F42 HydrophobicContact CE2-CD2 4.26Å; F38-F42 HydrophobicContact CE2-CE2 4.26Å; F38-F42 AromaticContact CZ-CD2 3.7Å; F38-F42 HydrophobicContact CZ-CD2 3.7Å; F38-F42 AromaticContact CZ-CE2 3.46Å; F38-F42 HydrophobicContact CZ-CE2 3.46Å; F38-F42 VanDerWaalsContact CZ-CE2 3.46Å; F38-F42 WeakPolarHBondContact O-CB 3.47Å; F38-F42 PolarHBondContact O-N 3.47Å; F38-L107 HydrophobicContact CB-CB 4.48Å; F38-L107 HydrophobicContact CB-CD2 4.41Å; F38-L107 HydrophobicContact CD1-CD2 3.8Å; F38-L107 HydrophobicContact CD2-CD2 3.63Å; F38-L107 HydrophobicContact CE1-CD2 3.82Å; F38-L107 HydrophobicContact CE2-CD2 3.64Å; F38-L107 HydrophobicContact CG-CD2 3.7Å; F38-L107 HydrophobicContact CZ-CD2 3.72Å |
| 39 | A | 67.6 | Low | 59.4 | Low | 65 Ų | 65 | 96.5 Ų | 96.5 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.6 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V35 F42 | V35-A39 WeakPolarHBondContact O-CB 3.45Å; V35-A39 PolarHBondContact O-N 3.02Å; A39-F42 WeakPolarHBondContact O-CB 3.49Å |
| 40 | A | 63.8 | Low | 59.7 | Low | 77 Ų | 77 | 94.6 Ų | 94.6 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -75.5 | -31.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A36 F38 F42 | A36-A40 VanDerWaalsContact O-CB 3.31Å; A36-A40 WeakPolarHBondContact O-CB 3.49Å; A36-A40 PolarHBondContact O-N 3.5Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 3.37Å; A40-F42 VanDerWaalsContact C-N 3.34Å |
| 41 | S | 60.9 | Low | 60.1 | Low | 82 Ų | 82 | 91.3 Ų | 91.3 | 57% | 0.573 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -82.7 | -15.4 | 175.9 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | E37 F38 K43 | E37-S41 WeakPolarHBondContact O-CA 3.46Å; E37-S41 WeakPolarHBondContact O-CB 3.45Å; E37-S41 PolarHBondContact O-N 2.97Å; E37-S41 PolarHBondContact O-OG 3.02Å; F38-S41 CarbonylContact O-C 3.5Å; F38-S41 PolarHBondContact O-N 3.29Å; S41-K43 PolarHBondContact O-N 3.46Å |
| 42 | F | 54.3 | Low | 60.4 | Low | 120 Ų | 120 | 90.4 Ų | 90.4 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | trans | -63.7 | 63.8 | 153 | -117.6 | -98.3 | 0 | 0 | 0 | 108 | F38 A39 A40 S44 | F38-F42 HydrophobicContact CD1-CD2 4.15Å; F38-F42 AromaticContact CE1-CD2 3.62Å; F38-F42 HydrophobicContact CE1-CD2 3.62Å; F38-F42 AromaticContact CE1-CE2 3.64Å; F38-F42 HydrophobicContact CE1-CE2 3.64Å; F38-F42 HydrophobicContact CE2-CD2 4.26Å; F38-F42 HydrophobicContact CE2-CE2 4.26Å; F38-F42 AromaticContact CZ-CD2 3.7Å; F38-F42 HydrophobicContact CZ-CD2 3.7Å; F38-F42 AromaticContact CZ-CE2 3.46Å; F38-F42 HydrophobicContact CZ-CE2 3.46Å; F38-F42 VanDerWaalsContact CZ-CE2 3.46Å; F38-F42 WeakPolarHBondContact O-CB 3.47Å; F38-F42 PolarHBondContact O-N 3.47Å; A39-F42 WeakPolarHBondContact O-CB 3.49Å; A40-F42 VanDerWaalsContact C-N 3.34Å; F42-S44 WeakPolarHBondContact CD1-OG 3.46Å; F42-S44 WeakPolarHBondContact CE1-OG 3.46Å; F42-S44 PolarHBondContact O-N 3.14Å | ||
| 43 | K | 53 | Low | 60.8 | Low | 189 Ų | 189 | 99.1 Ų | 99.1 | 82% | 0.822 | 57% | 0.568 | S | S | * | * | trans | -63.4 | 67.2 | 138.2 | -60.9 | -175.7 | -175.7 | -175 | 0 | 105.8 | S41 | S41-K43 PolarHBondContact O-N 3.46Š| ||
| 44 | S | 44.4 | Very low | 61 | Low | 52 Ų | 52 | 99 Ų | 99 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | trans | -51 | 138.9 | 152.9 | -96.7 | 0 | 0 | 0 | 0 | 104.7 | F42 I46 | F42-S44 WeakPolarHBondContact CD1-OG 3.46Å; F42-S44 WeakPolarHBondContact CE1-OG 3.46Å; F42-S44 PolarHBondContact O-N 3.14Å; S44-I46 PolarHBondContact O-N 3.46Å | ||
| 45 | P | 46.4 | Very low | 61.5 | Low | 117 Ų | 117 | 100.2 Ų | 100.2 | 76% | 0.76 | 57% | 0.568 | S | S | * | * | trans | -53.7 | 93.7 | 146.1 | 23.8 | -23.6 | 0 | 0 | 0 | 103.4 | T47 | P45-T47 PolarHBondContact O-N 2.94Š| ||
| 46 | I | 52.6 | Low | 62.1 | Low | 142 Ų | 142 | 107.1 Ų | 107.1 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | trans | -56.3 | 101.2 | 161.1 | -58.1 | 175 | 0 | 0 | 0 | 99.2 | S44 S48 | S44-I46 PolarHBondContact O-N 3.46Å; I46-S48 VanDerWaalsContact C-N 3.25Å; I46-S48 PolarHBondContact O-N 3.25Å | ||
| 47 | T | 52.4 | Low | 62.8 | Low | 99 Ų | 99 | 109.2 Ų | 109.2 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | trans | -43 | 111.5 | 159.5 | 51.9 | 0 | 0 | 0 | 0 | 101.8 | P45 S49 | P45-T47 PolarHBondContact O-N 2.94Å; T47-S49 WeakPolarHBondContact CB-OG 3.5Å; T47-S49 CarbonylContact O-C 3.56Å; T47-S49 PolarHBondContact O-N 3.28Å; T47-S49 PolarHBondContact O-OG 2.9Å; T47-S49 PolarHBondContact OG1-OG 3.15Å | ||
| 48 | S | 52.6 | Low | 63.6 | Low | 124 Ų | 124 | 109.4 Ų | 109.4 | 87% | 0.867 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -58.5 | -2.9 | -175 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | I46 | I46-S48 VanDerWaalsContact C-N 3.25Å; I46-S48 PolarHBondContact O-N 3.25Å |
| 49 | S | 54.6 | Low | 64.6 | Low | 64 Ų | 64 | 115.3 Ų | 115.3 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -57.7 | 131.8 | 163 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | T47 | T47-S49 WeakPolarHBondContact CB-OG 3.5Å; T47-S49 CarbonylContact O-C 3.56Å; T47-S49 PolarHBondContact O-N 3.28Å; T47-S49 PolarHBondContact O-OG 2.9Å; T47-S49 PolarHBondContact OG1-OG 3.15Å |
| 50 | P | 62.3 | Low | 65.7 | Low | 74 Ų | 74 | 118 Ų | 118 | 48% | 0.481 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -47.2 | 153.2 | 165.8 | -23.2 | 31.5 | 0 | 0 | 0 | 111.4 | M54 | P50-M54 HydrophobicContact CB-CB 3.5Å; P50-M54 VanDerWaalsContact CB-CB 3.5Å; P50-M54 HydrophobicContact CB-CE 4.36Å |
| 51 | P | 66.1 | Low | 66.9 | Low | 58 Ų | 58 | 117.6 Ų | 117.6 | 38% | 0.377 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -46.4 | 148.5 | 167 | -23.8 | 34.4 | 0 | 0 | 0 | 110.6 | W53 M54 A55 | P51-W53 HydrophobicContact CB-CD2 4.35Å; P51-W53 HydrophobicContact CB-CG 4.22Å; P51-W53 HydrophobicContact CB-CZ2 4.33Å; P51-W53 HydrophobicContact CG-CZ2 4.13Å; P51-W53 PolarHBondContact O-N 3.09Å; P51-M54 HydrophobicContact CG-CE 3.75Å; P51-M54 CarbonylContact O-C 3.53Å; P51-M54 WeakPolarHBondContact O-CA 3.39Å; P51-M54 WeakPolarHBondContact O-CB 3.33Å; P51-M54 PolarHBondContact O-N 3.17Å; P51-A55 PolarHBondContact O-N 3.35Å |
| 52 | K | 67.9 | Low | 68.3 | Low | 179 Ų | 179 | 117 Ų | 117 | 78% | 0.778 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -52.1 | -31.9 | -177.9 | -87.7 | -167.2 | 165.7 | -154.4 | 0 | 114.5 | M54 A55 | K52-M54 VanDerWaalsContact C-N 3.28Å; K52-M54 PolarHBondContact O-N 3.3Å; K52-A55 WeakPolarHBondContact O-CB 3.39Å; K52-A55 PolarHBondContact O-N 3.01Å; K52-A55 VanDerWaalsContact O-N 3.11Å |
| 53 | W | 71.2 | Confident | 70.2 | Confident | 205 Ų | 205 | 115.4 Ų | 115.4 | 78% | 0.777 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -73.6 | -15.8 | 176.2 | 61.4 | -97.3 | 0 | 0 | 0 | 114.2 | P51 | P51-W53 HydrophobicContact CB-CD2 4.35Å; P51-W53 HydrophobicContact CB-CG 4.22Å; P51-W53 HydrophobicContact CB-CZ2 4.33Å; P51-W53 HydrophobicContact CG-CZ2 4.13Å; P51-W53 PolarHBondContact O-N 3.09Å |
| 54 | M | 68.3 | Low | 72 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 52% | 0.522 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -97.8 | -1.6 | 168.1 | -69.9 | -154.4 | -82.6 | 0 | 0 | 112.4 | P50 P51 K52 | P50-M54 HydrophobicContact CB-CB 3.5Å; P50-M54 VanDerWaalsContact CB-CB 3.5Å; P50-M54 HydrophobicContact CB-CE 4.36Å; P51-M54 HydrophobicContact CG-CE 3.75Å; P51-M54 CarbonylContact O-C 3.53Å; P51-M54 WeakPolarHBondContact O-CA 3.39Å; P51-M54 WeakPolarHBondContact O-CB 3.33Å; P51-M54 PolarHBondContact O-N 3.17Å; K52-M54 VanDerWaalsContact C-N 3.28Å; K52-M54 PolarHBondContact O-N 3.3Å |
| 55 | A | 77.8 | Confident | 74.3 | Confident | 44 Ų | 44 | 115 Ų | 115 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -70.9 | 163 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | P51 K52 I57 | P51-A55 PolarHBondContact O-N 3.35Å; K52-A55 WeakPolarHBondContact O-CB 3.39Å; K52-A55 PolarHBondContact O-N 3.01Å; K52-A55 VanDerWaalsContact O-N 3.11Å; A55-I57 PolarHBondContact O-N 3.48Å |
| 56 | E | 82 | Confident | 76.5 | Confident | 183 Ų | 183 | 115.5 Ų | 115.5 | 86% | 0.855 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.5 | 170.8 | -71.2 | -176.9 | 171.4 | 0 | 0 | 109.6 | E58 | E56-E58 PolarHBondContact O-N 3.27Å; E56-E58 VanDerWaalsContact O-N 3.09Å |
| 57 | I | 83.6 | Confident | 78.5 | Confident | 124 Ų | 124 | 113.6 Ų | 113.6 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 116.5 | 179.6 | -59.9 | -171.8 | 0 | 0 | 0 | 108.4 | A55 D61 I62 | A55-I57 PolarHBondContact O-N 3.48Å; I57-D61 HydrophobicContact CG2-CB 3.56Å; I57-I62 HydrophobicContact CG2-CD1 4.37Å; I57-I62 HydrophobicContact CG2-CG1 3.57Å |
| 58 | E | 87.4 | Confident | 80.4 | Confident | 103 Ų | 103 | 111.9 Ų | 111.9 | 48% | 0.481 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -75.9 | 164.8 | 180 | -62.7 | -177.5 | -179.4 | 0 | 0 | 110.3 | E56 D60 D61 I62 | E56-E58 PolarHBondContact O-N 3.27Å; E56-E58 VanDerWaalsContact O-N 3.09Å; E58-D60 PolarHBondContact O-N 3.39Å; E58-D61 WeakPolarHBondContact CB-OD2 3.21Å; E58-D61 PolarHBondContact N-OD2 2.98Å; E58-D61 WeakPolarHBondContact O-CB 3.41Å; E58-D61 PolarHBondContact O-N 3.46Å; E58-D61 VanDerWaalsContact O-N 3.14Å; E58-I62 WeakPolarHBondContact O-CG1 3.46Å; E58-I62 PolarHBondContact O-N 3.31Å; E58-I62 VanDerWaalsContact O-N 3.15Å |
| 59 | R | 88.3 | Confident | 82.3 | Confident | 214 Ų | 214 | 109.1 Ų | 109.1 | 81% | 0.808 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.3 | -39.2 | 176.5 | -86.5 | 179.4 | -95.2 | 161.2 | -6.1 | 111.9 | D61 I62 D63 | R59-D61 VanDerWaalsContact C-N 3.33Å; R59-D61 PolarHBondContact O-N 3.01Å; R59-I62 WeakPolarHBondContact O-CB 3.46Å; R59-I62 PolarHBondContact O-N 2.9Å; R59-D63 PolarHBondContact O-N 2.95Å |
| 60 | D | 89.3 | Confident | 84.2 | Confident | 121 Ų | 121 | 110.6 Ų | 110.6 | 65% | 0.647 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.1 | -37 | 178.9 | -68.5 | 5.8 | 0 | 0 | 0 | 111.8 | E58 I62 D63 M64 | E58-D60 PolarHBondContact O-N 3.39Å; D60-I62 VanDerWaalsContact C-N 3.35Å; D60-D63 PolarHBondContact O-N 3.42Å; D60-M64 WeakPolarHBondContact O-CB 3.37Å; D60-M64 PolarHBondContact O-N 3.17Å |
| 61 | D | 89 | Confident | 85.8 | Confident | 69 Ų | 69 | 109.4 Ų | 109.4 | 37% | 0.369 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.5 | -40.2 | 175.9 | -62 | -44.5 | 0 | 0 | 0 | 111.3 | I57 E58 R59 D63 M64 L65 | I57-D61 HydrophobicContact CG2-CB 3.56Å; E58-D61 WeakPolarHBondContact CB-OD2 3.21Å; E58-D61 PolarHBondContact N-OD2 2.98Å; E58-D61 WeakPolarHBondContact O-CB 3.41Å; E58-D61 PolarHBondContact O-N 3.46Å; E58-D61 VanDerWaalsContact O-N 3.14Å; R59-D61 VanDerWaalsContact C-N 3.33Å; R59-D61 PolarHBondContact O-N 3.01Å; D61-D63 VanDerWaalsContact C-N 3.33Å; D61-M64 PolarHBondContact O-N 3.34Å; D61-L65 WeakPolarHBondContact O-CB 3.25Å; D61-L65 PolarHBondContact O-N 2.98Å |
| 62 | I | 91.4 | Very high | 87.1 | Confident | 70 Ų | 70 | 110.6 Ų | 110.6 | 36% | 0.359 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.7 | -42.4 | 175.7 | -62.7 | 173.1 | 0 | 0 | 0 | 110.3 | I57 E58 R59 D60 L65 K66 | I57-I62 HydrophobicContact CG2-CD1 4.37Å; I57-I62 HydrophobicContact CG2-CG1 3.57Å; E58-I62 WeakPolarHBondContact O-CG1 3.46Å; E58-I62 PolarHBondContact O-N 3.31Å; E58-I62 VanDerWaalsContact O-N 3.15Å; R59-I62 WeakPolarHBondContact O-CB 3.46Å; R59-I62 PolarHBondContact O-N 2.9Å; D60-I62 VanDerWaalsContact C-N 3.35Å; I62-L65 PolarHBondContact O-N 2.85Å; I62-K66 HydrophobicContact CG2-CD 4.26Å; I62-K66 WeakPolarHBondContact O-CG 3.39Å; I62-K66 PolarHBondContact O-N 3.25Å |
| 63 | D | 93.4 | Very high | 88.4 | Confident | 86 Ų | 86 | 107.7 Ų | 107.7 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.7 | -37.7 | -179.4 | -70 | -21.6 | 0 | 0 | 0 | 111.5 | R59 D60 D61 K66 E67 | R59-D63 PolarHBondContact O-N 2.95Å; D60-D63 PolarHBondContact O-N 3.42Å; D61-D63 VanDerWaalsContact C-N 3.33Å; D63-K66 PolarHBondContact O-N 3.41Å; D63-K66 IonicContact OD1-NZ 2.89Å; D63-K66 PolarHBondContact OD1-NZ 3.43Å; D63-E67 PolarHBondContact O-N 3.11Å |
| 64 | M | 91.9 | Very high | 89.4 | Confident | 108 Ų | 108 | 101.2 Ų | 101.2 | 53% | 0.532 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 171.2 | -176 | 162.6 | 60.2 | 0 | 0 | 112.2 | D60 D61 E67 L68 | D60-M64 WeakPolarHBondContact O-CB 3.37Å; D60-M64 PolarHBondContact O-N 3.17Å; D61-M64 PolarHBondContact O-N 3.34Å; M64-E67 WeakPolarHBondContact O-CB 3.18Å; M64-E67 PolarHBondContact O-N 3.35Å; M64-L68 WeakPolarHBondContact O-CG 3.48Å; M64-L68 PolarHBondContact O-N 3.17Å |
| 65 | L | 91.8 | Very high | 90.7 | Very high | 125 Ų | 125 | 99.8 Ų | 99.8 | 65% | 0.654 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 175.7 | -179.5 | 63.6 | 0 | 0 | 0 | 111.8 | D61 I62 L68 G69 | D61-L65 WeakPolarHBondContact O-CB 3.25Å; D61-L65 PolarHBondContact O-N 2.98Å; I62-L65 PolarHBondContact O-N 2.85Å; L65-L68 PolarHBondContact O-N 3.12Å; L65-G69 PolarHBondContact O-N 3.48Å |
| 66 | K | 93.1 | Very high | 91.5 | Very high | 127 Ų | 127 | 100.8 Ų | 100.8 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 175.6 | -72.5 | 169.3 | -173.6 | 159.5 | 0 | 111.8 | I62 D63 G69 S70 | I62-K66 HydrophobicContact CG2-CD 4.26Å; I62-K66 WeakPolarHBondContact O-CG 3.39Å; I62-K66 PolarHBondContact O-N 3.25Å; D63-K66 PolarHBondContact O-N 3.41Å; D63-K66 IonicContact OD1-NZ 2.89Å; D63-K66 PolarHBondContact OD1-NZ 3.43Å; K66-G69 PolarHBondContact O-N 3.3Å; K66-S70 WeakPolarHBondContact O-CB 3.43Å; K66-S70 PolarHBondContact O-N 3.45Å |
| 67 | E | 94 | Very high | 92.1 | Very high | 103 Ų | 103 | 97.7 Ų | 97.7 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.8 | -51.9 | 175.2 | -174.4 | -173.8 | 148.5 | 0 | 0 | 109.9 | D63 M64 G69 S70 | D63-E67 PolarHBondContact O-N 3.11Å; M64-E67 WeakPolarHBondContact O-CB 3.18Å; M64-E67 PolarHBondContact O-N 3.35Å; E67-G69 VanDerWaalsContact C-N 3.34Å; E67-G69 PolarHBondContact O-N 3.31Å; E67-S70 PolarHBondContact O-N 3.41Å; E67-S70 VanDerWaalsContact O-N 3.14Å; E67-S70 PolarHBondContact O-OG 3.48Å |
| 68 | L | 92.4 | Very high | 92.6 | Very high | 62 Ų | 62 | 98.4 Ų | 98.4 | 33% | 0.325 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 178.5 | -68 | 173.7 | 0 | 0 | 0 | 112.6 | M64 L65 S70 L71 L76 | M64-L68 WeakPolarHBondContact O-CG 3.48Å; M64-L68 PolarHBondContact O-N 3.17Å; L65-L68 PolarHBondContact O-N 3.12Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.21Å; L68-L71 HydrophobicContact CD2-CD1 4.27Å; L68-L71 WeakPolarHBondContact O-CB 3.31Å; L68-L71 PolarHBondContact O-N 3.23Å; L68-L76 HydrophobicContact CB-CD1 4.38Å; L68-L76 HydrophobicContact CD2-CD1 4.17Å |
| 69 | G | 92.7 | Very high | 92.9 | Very high | 67 Ų | 67 | 98.8 Ų | 98.8 | 69% | 0.691 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.3 | -21.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L65 K66 E67 L71 | L65-G69 PolarHBondContact O-N 3.48Å; K66-G69 PolarHBondContact O-N 3.3Å; E67-G69 VanDerWaalsContact C-N 3.34Å; E67-G69 PolarHBondContact O-N 3.31Å; G69-L71 VanDerWaalsContact C-N 3.34Å |
| 70 | S | 94.8 | Very high | 93.2 | Very high | 94 Ų | 94 | 91.2 Ų | 91.2 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -81.8 | -12.7 | 176.3 | 76 | 0 | 0 | 0 | 0 | 113.7 | K66 E67 L68 | K66-S70 WeakPolarHBondContact O-CB 3.43Å; K66-S70 PolarHBondContact O-N 3.45Å; E67-S70 PolarHBondContact O-N 3.41Å; E67-S70 VanDerWaalsContact O-N 3.14Å; E67-S70 PolarHBondContact O-OG 3.48Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.21Å |
| 71 | L | 94.8 | Very high | 93.4 | Very high | 50 Ų | 50 | 92.7 Ų | 92.7 | 26% | 0.262 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -73.9 | 150.3 | 179.5 | -62.7 | 178 | 0 | 0 | 0 | 111.4 | L68 G69 N75 L76 K79 | L68-L71 HydrophobicContact CD2-CD1 4.27Å; L68-L71 WeakPolarHBondContact O-CB 3.31Å; L68-L71 PolarHBondContact O-N 3.23Å; G69-L71 VanDerWaalsContact C-N 3.34Å; L71-N75 HydrophobicContact CB-CB 4.18Å; L71-N75 HydrophobicContact CD2-CB 4.32Å; L71-L76 HydrophobicContact CB-CB 4.39Å; L71-K79 HydrophobicContact CD1-CG 4.08Å |
| 72 | T | 95.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 91.2 Ų | 91.2 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | trans | -65.5 | 155 | 164.5 | 66.1 | 0 | 0 | 0 | 0 | 109.7 | A74 N75 L76 | T72-A74 PolarHBondContact O-N 3.45Å; T72-A74 VanDerWaalsContact O-N 3.17Å; T72-N75 PolarHBondContact O-N 3.14Å; T72-N75 VanDerWaalsContact O-N 3.08Å; T72-N75 VanDerWaalsContact OG1-CG 3.29Å; T72-N75 PolarHBondContact OG1-N 3.12Å; T72-L76 PolarHBondContact O-N 3.1Å | ||
| 73 | T | 93.1 | Very high | 93.8 | Very high | 117 Ų | 117 | 93 Ų | 93 | 72% | 0.718 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.4 | -39.1 | 177.6 | -49.3 | 0 | 0 | 0 | 0 | 112.2 | L76 M77 | T73-L76 PolarHBondContact O-N 3.43Å; T73-M77 VanDerWaalsContact O-CG 3.27Å; T73-M77 WeakPolarHBondContact O-CG 3.47Å; T73-M77 PolarHBondContact O-N 2.99Å |
| 74 | A | 94.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 93.1 Ų | 93.1 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -47.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T72 L76 M77 E78 | T72-A74 PolarHBondContact O-N 3.45Å; T72-A74 VanDerWaalsContact O-N 3.17Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 2.82Å; A74-M77 PolarHBondContact O-N 2.88Å; A74-E78 PolarHBondContact O-N 3.05Å |
| 75 | N | 94.3 | Very high | 93.8 | Very high | 76 Ų | 76 | 91.2 Ų | 91.2 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 179.9 | -68.1 | -1.2 | 0 | 0 | 0 | 111.8 | L71 T72 E78 K79 | L71-N75 HydrophobicContact CB-CB 4.18Å; L71-N75 HydrophobicContact CD2-CB 4.32Å; T72-N75 PolarHBondContact O-N 3.14Å; T72-N75 VanDerWaalsContact O-N 3.08Å; T72-N75 VanDerWaalsContact OG1-CG 3.29Å; T72-N75 PolarHBondContact OG1-N 3.12Å; N75-E78 PolarHBondContact O-N 3.49Å; N75-K79 PolarHBondContact O-N 3.17Å |
| 76 | L | 94.7 | Very high | 93.9 | Very high | 64 Ų | 64 | 89.9 Ų | 89.9 | 34% | 0.335 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 174.1 | -178.3 | 62.5 | 0 | 0 | 0 | 110.8 | L68 L71 T72 T73 A74 E78 K79 V80 | L68-L76 HydrophobicContact CB-CD1 4.38Å; L68-L76 HydrophobicContact CD2-CD1 4.17Å; L71-L76 HydrophobicContact CB-CB 4.39Å; T72-L76 PolarHBondContact O-N 3.1Å; T73-L76 PolarHBondContact O-N 3.43Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 2.82Å; L76-E78 VanDerWaalsContact C-N 3.31Å; L76-E78 PolarHBondContact O-N 3.01Å; L76-K79 WeakPolarHBondContact O-CB 3.49Å; L76-K79 PolarHBondContact O-N 3.42Å; L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 3.19Å |
| 77 | M | 94.3 | Very high | 93.8 | Very high | 119 Ų | 119 | 86.9 Ų | 86.9 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.9 | -37 | 176.8 | -69.9 | -56.6 | -65.3 | 0 | 0 | 112.3 | T73 A74 V80 R81 | T73-M77 VanDerWaalsContact O-CG 3.27Å; T73-M77 WeakPolarHBondContact O-CG 3.47Å; T73-M77 PolarHBondContact O-N 2.99Å; A74-M77 PolarHBondContact O-N 2.88Å; M77-V80 PolarHBondContact O-N 2.94Å; M77-R81 PolarHBondContact O-N 3.32Å |
| 78 | E | 95.2 | Very high | 93.6 | Very high | 138 Ų | 138 | 87.2 Ų | 87.2 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 174.3 | -170.2 | 174.3 | -171.1 | 0 | 0 | 111.9 | A74 N75 L76 V80 R81 G82 | A74-E78 PolarHBondContact O-N 3.05Å; N75-E78 PolarHBondContact O-N 3.49Å; L76-E78 VanDerWaalsContact C-N 3.31Å; L76-E78 PolarHBondContact O-N 3.01Å; E78-V80 PolarHBondContact O-N 3.33Å; E78-R81 PolarHBondContact O-N 2.9Å; E78-G82 PolarHBondContact O-N 3.11Å |
| 79 | K | 94.1 | Very high | 93.6 | Very high | 112 Ų | 112 | 89 Ų | 89 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 172.8 | -86.3 | -75.8 | -170.9 | 166.1 | 0 | 112.1 | L71 N75 L76 R81 G82 L83 | L71-K79 HydrophobicContact CD1-CG 4.08Å; N75-K79 PolarHBondContact O-N 3.17Å; L76-K79 WeakPolarHBondContact O-CB 3.49Å; L76-K79 PolarHBondContact O-N 3.42Å; K79-R81 PolarHBondContact O-N 2.77Å; K79-G82 PolarHBondContact O-N 3.32Å; K79-L83 WeakPolarHBondContact O-CG 3.31Å; K79-L83 PolarHBondContact O-N 2.89Å |
| 80 | V | 94.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 90.7 Ų | 90.7 | 33% | 0.333 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 175.9 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L76 M77 E78 G82 L83 Q84 | L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 3.19Å; M77-V80 PolarHBondContact O-N 2.94Å; E78-V80 PolarHBondContact O-N 3.33Å; V80-G82 VanDerWaalsContact C-N 3.31Å; V80-G82 PolarHBondContact O-N 3.02Å; V80-L83 PolarHBondContact O-N 3.27Å; V80-Q84 WeakPolarHBondContact O-CG 3.4Å; V80-Q84 PolarHBondContact O-N 3.42Å |
| 81 | R | 92.8 | Very high | 93.3 | Very high | 151 Ų | 151 | 87.3 Ų | 87.3 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 175.9 | -173.7 | 179.8 | -71.9 | -177.8 | -3.9 | 111.9 | M77 E78 K79 Q84 N85 | M77-R81 PolarHBondContact O-N 3.32Å; E78-R81 PolarHBondContact O-N 2.9Å; K79-R81 PolarHBondContact O-N 2.77Å; R81-Q84 PolarHBondContact O-N 3.48Å; R81-N85 VanDerWaalsContact O-CG 3.25Å; R81-N85 PolarHBondContact O-N 3.48Å; R81-N85 PolarHBondContact O-ND2 3.03Å |
| 82 | G | 94.8 | Very high | 93 | Very high | 38 Ų | 38 | 88.5 Ų | 88.5 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | E78 K79 V80 N85 L86 | E78-G82 PolarHBondContact O-N 3.11Å; K79-G82 PolarHBondContact O-N 3.32Å; V80-G82 VanDerWaalsContact C-N 3.31Å; V80-G82 PolarHBondContact O-N 3.02Å; G82-N85 PolarHBondContact O-N 3.16Å; G82-L86 WeakPolarHBondContact O-CB 3.36Å; G82-L86 PolarHBondContact O-N 2.81Å |
| 83 | L | 95.2 | Very high | 92.8 | Very high | 108 Ų | 108 | 88.8 Ų | 88.8 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 176.3 | -72.5 | 170.7 | 0 | 0 | 0 | 112.2 | K79 V80 N85 L86 A87 | K79-L83 WeakPolarHBondContact O-CG 3.31Å; K79-L83 PolarHBondContact O-N 2.89Å; V80-L83 PolarHBondContact O-N 3.27Å; L83-N85 VanDerWaalsContact C-N 3.34Å; L83-N85 PolarHBondContact O-N 2.8Å; L83-L86 PolarHBondContact O-N 3.11Å; L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 3.26Å |
| 84 | Q | 92.6 | Very high | 92.5 | Very high | 88 Ų | 88 | 87.9 Ų | 87.9 | 41% | 0.411 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.1 | -71.6 | 170.7 | -9.3 | 0 | 0 | 111.9 | V80 R81 A87 Y88 | V80-Q84 WeakPolarHBondContact O-CG 3.4Å; V80-Q84 PolarHBondContact O-N 3.42Å; R81-Q84 PolarHBondContact O-N 3.48Å; Q84-A87 PolarHBondContact O-N 3.48Å; Q84-Y88 PolarHBondContact O-N 3.02Å |
| 85 | N | 92.5 | Very high | 92 | Very high | 69 Ų | 69 | 87.3 Ų | 87.3 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176.5 | -69.4 | -24.9 | 0 | 0 | 0 | 111.8 | R22 R81 G82 L83 Y88 Q89 | R22-N85 PolarHBondContact NH1-OD1 3.28Å; R22-N85 VanDerWaalsContact NH1-OD1 3.17Å; R81-N85 VanDerWaalsContact O-CG 3.25Å; R81-N85 PolarHBondContact O-N 3.48Å; R81-N85 PolarHBondContact O-ND2 3.03Å; G82-N85 PolarHBondContact O-N 3.16Å; L83-N85 VanDerWaalsContact C-N 3.34Å; L83-N85 PolarHBondContact O-N 2.8Å; N85-Y88 PolarHBondContact O-N 3.01Å; N85-Q89 WeakPolarHBondContact O-CG 3.13Å; N85-Q89 PolarHBondContact O-N 3.22Å |
| 86 | L | 94.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 90.2 Ų | 90.2 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62 | -47.6 | 174.8 | 177.6 | 62.4 | 0 | 0 | 0 | 111.2 | G82 L83 Y88 Q89 L90 | G82-L86 WeakPolarHBondContact O-CB 3.36Å; G82-L86 PolarHBondContact O-N 2.81Å; L83-L86 PolarHBondContact O-N 3.11Å; L86-Y88 PolarHBondContact O-N 2.95Å; L86-Q89 PolarHBondContact O-N 2.81Å; L86-Q89 VanDerWaalsContact O-N 3.17Å; L86-L90 HydrophobicContact CD1-CD1 4.29Å; L86-L90 HydrophobicContact CD1-CG 4.2Å; L86-L90 HydrophobicContact CG-CD1 4.06Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 3.36Å |
| 87 | A | 90.1 | Very high | 91.4 | Very high | 63 Ų | 63 | 91.5 Ų | 91.5 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L83 Q84 G91 | L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 3.26Å; Q84-A87 PolarHBondContact O-N 3.48Å; A87-G91 PolarHBondContact O-N 3.05Å |
| 88 | Y | 89.5 | Confident | 90.9 | Very high | 111 Ų | 111 | 88.3 Ų | 88.3 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 175 | 179.7 | -104 | 0 | 0 | 0 | 112.6 | Q84 N85 L86 L90 G91 L92 | Q84-Y88 PolarHBondContact O-N 3.02Å; N85-Y88 PolarHBondContact O-N 3.01Å; L86-Y88 PolarHBondContact O-N 2.95Å; Y88-L90 PolarHBondContact O-N 2.74Å; Y88-G91 PolarHBondContact O-N 2.82Å; Y88-L92 HydrophobicContact CD1-CD1 4.22Å; Y88-L92 HydrophobicContact CE1-CD1 3.63Å; Y88-L92 HydrophobicContact CE1-CG 4.21Å; Y88-L92 PolarHBondContact O-N 2.75Å; Y88-L92 VanDerWaalsContact O-N 3.12Å |
| 89 | Q | 93.1 | Very high | 90.4 | Very high | 100 Ų | 100 | 84.6 Ų | 84.6 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.9 | -69.5 | -61 | -63.5 | 0 | 0 | 111.7 | N85 L86 G91 L92 D93 | N85-Q89 WeakPolarHBondContact O-CG 3.13Å; N85-Q89 PolarHBondContact O-N 3.22Å; L86-Q89 PolarHBondContact O-N 2.81Å; L86-Q89 VanDerWaalsContact O-N 3.17Å; Q89-G91 VanDerWaalsContact C-N 3.28Å; Q89-G91 PolarHBondContact O-N 3.08Å; Q89-L92 WeakPolarHBondContact O-CB 3.37Å; Q89-L92 PolarHBondContact O-N 3.2Å; Q89-L92 VanDerWaalsContact O-N 3.11Å; Q89-D93 PolarHBondContact O-N 3.42Å |
| 90 | L | 92.9 | Very high | 90.3 | Very high | 101 Ų | 101 | 85 Ų | 85 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 175.6 | -72.1 | 174.5 | 0 | 0 | 0 | 111.9 | L86 Y88 L92 D93 E94 | L86-L90 HydrophobicContact CD1-CD1 4.29Å; L86-L90 HydrophobicContact CD1-CG 4.2Å; L86-L90 HydrophobicContact CG-CD1 4.06Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 3.36Å; Y88-L90 PolarHBondContact O-N 2.74Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L92 PolarHBondContact O-N 3.22Å; L90-D93 PolarHBondContact O-N 3.3Å; L90-E94 VanDerWaalsContact O-CB 3.25Å; L90-E94 WeakPolarHBondContact O-CB 3.11Å; L90-E94 PolarHBondContact O-N 3.37Å |
| 91 | G | 87.4 | Confident | 89.9 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 25% | 0.247 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A87 Y88 Q89 S95 | A87-G91 PolarHBondContact O-N 3.05Å; Y88-G91 PolarHBondContact O-N 2.82Å; Q89-G91 VanDerWaalsContact C-N 3.28Å; Q89-G91 PolarHBondContact O-N 3.08Å; G91-S95 VanDerWaalsContact O-CB 3.31Å; G91-S95 WeakPolarHBondContact O-CB 3.41Å; G91-S95 PolarHBondContact O-N 2.87Å |
| 92 | L | 88.1 | Confident | 89.5 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 39% | 0.387 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 174.1 | -64.4 | 179.2 | 0 | 0 | 0 | 111.6 | Y88 Q89 L90 S95 R96 | Y88-L92 HydrophobicContact CD1-CD1 4.22Å; Y88-L92 HydrophobicContact CE1-CD1 3.63Å; Y88-L92 HydrophobicContact CE1-CG 4.21Å; Y88-L92 PolarHBondContact O-N 2.75Å; Y88-L92 VanDerWaalsContact O-N 3.12Å; Q89-L92 WeakPolarHBondContact O-CB 3.37Å; Q89-L92 PolarHBondContact O-N 3.2Å; Q89-L92 VanDerWaalsContact O-N 3.11Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L92 PolarHBondContact O-N 3.22Å; L92-S95 WeakPolarHBondContact O-CB 3.07Å; L92-S95 PolarHBondContact O-N 3.23Å; L92-R96 WeakPolarHBondContact O-CB 3.34Å; L92-R96 PolarHBondContact O-N 3.48Å |
| 93 | D | 91.8 | Very high | 89.2 | Confident | 89 Ų | 89 | 85 Ų | 85 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 178.5 | -73.4 | -20.2 | 0 | 0 | 0 | 111.1 | Q89 L90 S95 R96 E97 | Q89-D93 PolarHBondContact O-N 3.42Å; L90-D93 PolarHBondContact O-N 3.3Å; D93-S95 PolarHBondContact O-N 3.25Å; D93-R96 WeakPolarHBondContact O-CB 3.34Å; D93-R96 PolarHBondContact O-N 3.26Å; D93-E97 WeakPolarHBondContact O-CG 3.41Å; D93-E97 PolarHBondContact O-N 3.09Å |
| 94 | E | 87.3 | Confident | 89 | Confident | 99 Ų | 99 | 85.4 Ų | 85.4 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.4 | -52.7 | 175.5 | -170.8 | -173.7 | -161.9 | 0 | 0 | 110.3 | W28 L90 R96 E97 M98 | W28-E94 HydrophobicContact CH2-CG 4.12Å; W28-E94 WeakPolarHBondContact CH2-O 3.36Å; W28-E94 HydrophobicContact CZ2-CG 3.79Å; L90-E94 VanDerWaalsContact O-CB 3.25Å; L90-E94 WeakPolarHBondContact O-CB 3.11Å; L90-E94 PolarHBondContact O-N 3.37Å; E94-R96 VanDerWaalsContact C-N 3.28Å; E94-R96 PolarHBondContact O-N 3.03Å; E94-E97 PolarHBondContact O-N 3.17Å; E94-E97 VanDerWaalsContact O-N 3.11Å; E94-M98 PolarHBondContact O-N 2.75Å |
| 95 | S | 82.8 | Confident | 88.6 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -51.6 | -45.9 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | W28 G91 L92 D93 T99 | W28-S95 VanDerWaalsContact CH2-CA 3.44Å; G91-S95 VanDerWaalsContact O-CB 3.31Å; G91-S95 WeakPolarHBondContact O-CB 3.41Å; G91-S95 PolarHBondContact O-N 2.87Å; L92-S95 WeakPolarHBondContact O-CB 3.07Å; L92-S95 PolarHBondContact O-N 3.23Å; D93-S95 PolarHBondContact O-N 3.25Å; S95-T99 WeakPolarHBondContact O-CB 3.45Å; S95-T99 PolarHBondContact O-N 2.66Å; S95-T99 PolarHBondContact O-OG1 2.89Å |
| 96 | R | 87.9 | Confident | 88.3 | Confident | 138 Ų | 138 | 87.8 Ų | 87.8 | 52% | 0.521 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 178.1 | -179.9 | 179.8 | 177.4 | -95.9 | 10.4 | 112 | L92 D93 E94 M98 T99 R100 | L92-R96 WeakPolarHBondContact O-CB 3.34Å; L92-R96 PolarHBondContact O-N 3.48Å; D93-R96 WeakPolarHBondContact O-CB 3.34Å; D93-R96 PolarHBondContact O-N 3.26Å; E94-R96 VanDerWaalsContact C-N 3.28Å; E94-R96 PolarHBondContact O-N 3.03Å; R96-M98 PolarHBondContact O-N 2.89Å; R96-T99 PolarHBondContact O-N 3.23Å; R96-R100 VanDerWaalsContact O-CG 3.31Å; R96-R100 WeakPolarHBondContact O-CG 3.47Å; R96-R100 PolarHBondContact O-N 3.26Å |
| 97 | E | 88.8 | Confident | 87.6 | Confident | 90 Ų | 90 | 84.9 Ų | 84.9 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | -176.6 | -69.7 | -44.6 | 122.1 | 0 | 0 | 112.7 | D93 E94 R100 G101 | D93-E97 WeakPolarHBondContact O-CG 3.41Å; D93-E97 PolarHBondContact O-N 3.09Å; E94-E97 PolarHBondContact O-N 3.17Å; E94-E97 VanDerWaalsContact O-N 3.11Å; E97-R100 WeakPolarHBondContact O-CB 3.05Å; E97-R100 PolarHBondContact O-N 2.71Å; E97-R100 WeakPolarHBondContact OE1-CD 3.33Å; E97-R100 IonicContact OE1-NE 2.68Å; E97-R100 WeakPolarHBondContact OE2-CD 3.31Å; E97-R100 IonicContact OE2-NE 3.29Å; E97-R100 PolarHBondContact OE2-NE 3.31Å; E97-G101 PolarHBondContact O-N 2.82Å |
| 98 | M | 83.3 | Confident | 87.1 | Confident | 53 Ų | 53 | 86.2 Ų | 86.2 | 26% | 0.261 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74.1 | -32.2 | 176 | -75.7 | -80.3 | -66.7 | 0 | 0 | 112.8 | W28 L32 V35 E94 R96 R100 G101 K102 | W28-M98 HydrophobicContact CD2-CE 4.15Å; W28-M98 HydrophobicContact CE3-CB 3.88Å; W28-M98 HydrophobicContact CE3-CE 4.37Å; W28-M98 HydrophobicContact CH2-CB 2.96Å; W28-M98 HydrophobicContact CH2-CE 4.33Å; W28-M98 HydrophobicContact CH2-CG 3.13Å; W28-M98 HydrophobicContact CZ2-CB 3.71Å; W28-M98 HydrophobicContact CZ2-CE 3.99Å; W28-M98 HydrophobicContact CZ2-CG 3.35Å; W28-M98 HydrophobicContact CZ2-SD 4.41Å; W28-M98 HydrophobicContact CZ3-CB 3.02Å; W28-M98 HydrophobicContact CZ3-CE 4.48Å; W28-M98 HydrophobicContact CZ3-CG 3.75Å; L32-M98 HydrophobicContact CD1-CE 4.15Å; V35-M98 HydrophobicContact CG2-CE 4.12Å; E94-M98 PolarHBondContact O-N 2.75Å; R96-M98 PolarHBondContact O-N 2.89Å; M98-R100 VanDerWaalsContact C-N 3.33Å; M98-G101 PolarHBondContact O-N 2.9Å; M98-K102 PolarHBondContact O-N 3.42Å |
| 99 | T | 86.3 | Confident | 86.4 | Confident | 59 Ų | 59 | 86.2 Ų | 86.2 | 36% | 0.362 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 168.1 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | S95 R96 G101 K102 F103 | S95-T99 WeakPolarHBondContact O-CB 3.45Å; S95-T99 PolarHBondContact O-N 2.66Å; S95-T99 PolarHBondContact O-OG1 2.89Å; R96-T99 PolarHBondContact O-N 3.23Å; T99-G101 VanDerWaalsContact C-N 3.34Å; T99-G101 PolarHBondContact O-N 3.09Å; T99-K102 WeakPolarHBondContact O-CB 3.48Å; T99-K102 PolarHBondContact O-N 3.09Å; T99-F103 HydrophobicContact CG2-CD2 4.03Å; T99-F103 HydrophobicContact CG2-CE2 3.56Å; T99-F103 WeakPolarHBondContact O-CD2 3.06Å; T99-F103 PolarHBondContact O-N 3.31Å |
| 100 | R | 90.2 | Very high | 85.6 | Confident | 120 Ų | 120 | 87.3 Ų | 87.3 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 173.4 | -69.3 | 163.3 | 61 | 88.8 | 6 | 111.2 | R96 E97 M98 K102 F103 L104 | R96-R100 VanDerWaalsContact O-CG 3.31Å; R96-R100 WeakPolarHBondContact O-CG 3.47Å; R96-R100 PolarHBondContact O-N 3.26Å; E97-R100 WeakPolarHBondContact O-CB 3.05Å; E97-R100 PolarHBondContact O-N 2.71Å; E97-R100 WeakPolarHBondContact OE1-CD 3.33Å; E97-R100 IonicContact OE1-NE 2.68Å; E97-R100 WeakPolarHBondContact OE2-CD 3.31Å; E97-R100 IonicContact OE2-NE 3.29Å; E97-R100 PolarHBondContact OE2-NE 3.31Å; M98-R100 VanDerWaalsContact C-N 3.33Å; R100-K102 VanDerWaalsContact C-N 3.32Å; R100-K102 PolarHBondContact O-N 3.32Å; R100-F103 PolarHBondContact O-N 2.75Å; R100-L104 WeakPolarHBondContact O-CG 3.44Å; R100-L104 PolarHBondContact O-N 3.42Å |
| 101 | G | 87.4 | Confident | 84.7 | Confident | 12 Ų | 12 | 90.8 Ų | 90.8 | 12% | 0.124 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E97 M98 T99 L104 N105 I106 | E97-G101 PolarHBondContact O-N 2.82Å; M98-G101 PolarHBondContact O-N 2.9Å; T99-G101 VanDerWaalsContact C-N 3.34Å; T99-G101 PolarHBondContact O-N 3.09Å; G101-L104 PolarHBondContact O-N 3.47Å; G101-N105 PolarHBondContact O-N 3.25Å; G101-I106 PolarHBondContact O-N 3.06Å |
| 102 | K | 83.9 | Confident | 83.4 | Confident | 75 Ų | 75 | 102.9 Ų | 102.9 | 33% | 0.326 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57 | -51.9 | 171.9 | -174.9 | -165.1 | -161.3 | 168.4 | 0 | 110.9 | E30 L32 M98 T99 R100 L104 N105 | E30-K102 IonicContact OE2-NZ 3.69Å; E30-K102 PolarHBondContact OE2-NZ 2.81Å; L32-K102 HydrophobicContact CD2-CB 4.18Å; L32-K102 HydrophobicContact CD2-CD 3.33Å; L32-K102 HydrophobicContact CD2-CG 3.78Å; M98-K102 PolarHBondContact O-N 3.42Å; T99-K102 WeakPolarHBondContact O-CB 3.48Å; T99-K102 PolarHBondContact O-N 3.09Å; R100-K102 VanDerWaalsContact C-N 3.32Å; R100-K102 PolarHBondContact O-N 3.32Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 2.97Å; K102-N105 PolarHBondContact O-N 2.74Å; K102-N105 VanDerWaalsContact O-N 3.08Å; K102-N105 PolarHBondContact O-OD1 2.68Å |
| 103 | F | 87.6 | Confident | 83.1 | Confident | 157 Ų | 157 | 104.4 Ų | 104.4 | 69% | 0.689 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69 | -25 | -177.9 | -71 | -64 | 0 | 0 | 0 | 114.1 | T99 R100 N105 | T99-F103 HydrophobicContact CG2-CD2 4.03Å; T99-F103 HydrophobicContact CG2-CE2 3.56Å; T99-F103 WeakPolarHBondContact O-CD2 3.06Å; T99-F103 PolarHBondContact O-N 3.31Å; R100-F103 PolarHBondContact O-N 2.75Å; F103-N105 VanDerWaalsContact C-N 3.26Å |
| 104 | L | 90.7 | Very high | 82.7 | Confident | 117 Ų | 117 | 105.2 Ų | 105.2 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0.2 | 175 | -67.9 | 173.8 | 0 | 0 | 0 | 112.7 | R100 G101 K102 I106 | R100-L104 WeakPolarHBondContact O-CG 3.44Å; R100-L104 PolarHBondContact O-N 3.42Å; G101-L104 PolarHBondContact O-N 3.47Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 2.97Å; L104-I106 HydrophobicContact CB-CD1 4.04Å; L104-I106 HydrophobicContact CB-CG1 3.7Å; L104-I106 HydrophobicContact CD1-CD1 4.19Å; L104-I106 PolarHBondContact O-N 2.66Å; L104-I106 VanDerWaalsContact O-N 3.09Å |
| 105 | N | 85.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 32.6 | -178.7 | -60.4 | -47.2 | 0 | 0 | 0 | 113 | G101 K102 F103 L107 E108 | G101-N105 PolarHBondContact O-N 3.25Å; K102-N105 PolarHBondContact O-N 2.74Å; K102-N105 VanDerWaalsContact O-N 3.08Å; K102-N105 PolarHBondContact O-OD1 2.68Å; F103-N105 VanDerWaalsContact C-N 3.26Å; N105-L107 PolarHBondContact O-N 3.25Å; N105-L107 VanDerWaalsContact O-N 3.17Å; N105-E108 HydrophobicContact CB-CB 3.87Å; N105-E108 WeakPolarHBondContact CB-OE2 3.03Å; N105-E108 WeakPolarHBondContact O-CB 3.37Å; N105-E108 PolarHBondContact O-N 3.45Å |
| 106 | I | 85.7 | Confident | 82.4 | Confident | 113 Ų | 113 | 108.4 Ų | 108.4 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.6 | -175.9 | -60.7 | 179 | 0 | 0 | 0 | 110.9 | G101 L104 | G101-I106 PolarHBondContact O-N 3.06Å; L104-I106 HydrophobicContact CB-CD1 4.04Å; L104-I106 HydrophobicContact CB-CG1 3.7Å; L104-I106 HydrophobicContact CD1-CD1 4.19Å; L104-I106 PolarHBondContact O-N 2.66Å; L104-I106 VanDerWaalsContact O-N 3.09Å |
| 107 | L | 79.4 | Confident | 82.1 | Confident | 36 Ų | 36 | 106.5 Ų | 106.5 | 19% | 0.188 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 3.2 | -177.6 | -47.8 | -178.4 | 0 | 0 | 0 | 112.7 | V35 F38 N105 | V35-L107 HydrophobicContact CG2-CD1 3.47Å; V35-L107 VanDerWaalsContact CG2-CD1 3.47Å; F38-L107 HydrophobicContact CB-CB 4.48Å; F38-L107 HydrophobicContact CB-CD2 4.41Å; F38-L107 HydrophobicContact CD1-CD2 3.8Å; F38-L107 HydrophobicContact CD2-CD2 3.63Å; F38-L107 HydrophobicContact CE1-CD2 3.82Å; F38-L107 HydrophobicContact CE2-CD2 3.64Å; F38-L107 HydrophobicContact CG-CD2 3.7Å; F38-L107 HydrophobicContact CZ-CD2 3.72Å; N105-L107 PolarHBondContact O-N 3.25Å; N105-L107 VanDerWaalsContact O-N 3.17Å |
| 108 | E | 79.8 | Confident | 81.6 | Confident | 90 Ų | 90 | 107.6 Ų | 107.6 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 133.7 | 176.6 | -165.9 | 177.6 | -178.6 | 0 | 0 | 109.9 | N105 K111 | N105-E108 HydrophobicContact CB-CB 3.87Å; N105-E108 WeakPolarHBondContact CB-OE2 3.03Å; N105-E108 WeakPolarHBondContact O-CB 3.37Å; N105-E108 PolarHBondContact O-N 3.45Å; E108-K111 WeakPolarHBondContact OE1-CE 3.29Å; E108-K111 IonicContact OE1-NZ 3.22Å; E108-K111 PolarHBondContact OE1-NZ 2.71Å |
| 109 | K | 74.1 | Confident | 81.5 | Confident | 111 Ų | 111 | 111.5 Ų | 111.5 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 144.7 | 177.4 | -71.4 | 173.1 | 179.7 | 159.1 | 0 | 110.3 | E37 K111 | E37-K109 IonicContact OE1-NZ 3.21Å; E37-K109 PolarHBondContact OE1-NZ 2.95Å; E37-K109 VanDerWaalsContact OE2-CE 3.29Å; E37-K109 WeakPolarHBondContact OE2-CE 3.35Å; E37-K109 IonicContact OE2-NZ 2.71Å; E37-K109 PolarHBondContact OE2-NZ 2.86Å; K109-K111 PolarHBondContact O-N 3.12Å; K109-K111 VanDerWaalsContact O-N 3.12Å |
| 110 | P | 77.1 | Confident | 81.1 | Confident | 124 Ų | 124 | 115.5 Ų | 115.5 | 81% | 0.805 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 121.3 | 172.2 | -19.5 | 29.9 | 0 | 0 | 0 | 109.9 | K112 | P110-K112 PolarHBondContact O-N 3.21Š|
| 111 | K | 73.9 | Confident | 80.4 | Confident | 174 Ų | 174 | 115.2 Ų | 115.2 | 76% | 0.757 | 56% | 0.558 | S | S | * | * | trans | -74.7 | 109.9 | 169.8 | -66.2 | 177.7 | -176.4 | 153.6 | 0 | 106.7 | E108 K109 | E108-K111 WeakPolarHBondContact OE1-CE 3.29Å; E108-K111 IonicContact OE1-NZ 3.22Å; E108-K111 PolarHBondContact OE1-NZ 2.71Å; K109-K111 PolarHBondContact O-N 3.12Å; K109-K111 VanDerWaalsContact O-N 3.12Å | ||
| 112 | K | 59.2 | Low | 79.7 | Confident | 278 Ų | 278 | 124.5 Ų | 124.5 | 100% | 1.209 | 60% | 0.598 | S | S | * | * | trans | -65.6 | 0 | 169.5 | -79.2 | -173.2 | 177.3 | -177.2 | 0 | 110.4 | P110 | P110-K112 PolarHBondContact O-N 3.21Š|
Retrieved 112 of 112 residues in 30.6 ms
(Link to these results)