| 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 | 36 | Very low | 35.3 | Very low | 200 Ų | 200 | 160.6 Ų | 160.6 | 99% | 0.985 | 78% | 0.777 | S | S | * | * | 0 | 107.9 | 0 | -179.6 | 173.6 | 170.1 | 0 | 0 | 107 | F3 | M1-F3 HydrophobicContact CE-CE1 3.8Å; M1-F3 HydrophobicContact CE-CE2 4.03Å; M1-F3 HydrophobicContact CE-CZ 3.45Å; M1-F3 VanDerWaalsContact CE-CZ 3.45Å; M1-F3 HydrophobicContact CG-CD2 4.46Å; M1-F3 HydrophobicContact CG-CE2 4.03Å; M1-F3 HydrophobicContact CG-CZ 4.41Å; M1-F3 HydrophobicContact SD-CE2 4.07Å; M1-F3 HydrophobicContact SD-CZ 3.99Å | |||
| 2 | I | 33.4 | Very low | 35.3 | Very low | 158 Ų | 158 | 166.6 Ų | 166.6 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -85.7 | 115.9 | -179.8 | -64.2 | 170.4 | 0 | 0 | 0 | 106.8 | I4 | I2-I4 HydrophobicContact CG2-CG1 4.19Š| ||
| 3 | F | 36.4 | Very low | 35.4 | Very low | 163 Ų | 163 | 161.9 Ų | 161.9 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | -84.3 | 116.7 | 169.3 | -73.8 | -92.9 | 0 | 0 | 0 | 107.6 | M1 E5 | M1-F3 HydrophobicContact CE-CE1 3.8Å; M1-F3 HydrophobicContact CE-CE2 4.03Å; M1-F3 HydrophobicContact CE-CZ 3.45Å; M1-F3 VanDerWaalsContact CE-CZ 3.45Å; M1-F3 HydrophobicContact CG-CD2 4.46Å; M1-F3 HydrophobicContact CG-CE2 4.03Å; M1-F3 HydrophobicContact CG-CZ 4.41Å; M1-F3 HydrophobicContact SD-CE2 4.07Å; M1-F3 HydrophobicContact SD-CZ 3.99Å; F3-E5 PolarHBondContact O-N 3.4Å | ||
| 4 | I | 35.8 | Very low | 35.6 | Very low | 155 Ų | 155 | 158 Ų | 158 | 80% | 0.795 | 78% | 0.782 | S | S | * | * | trans | -92.9 | 93.3 | 168.2 | -56.2 | 177.2 | 0 | 0 | 0 | 105.6 | I2 K6 | I2-I4 HydrophobicContact CG2-CG1 4.19Å; I4-K6 PolarHBondContact O-N 3.05Å; I4-K6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | E | 40.8 | Very low | 35.6 | Very low | 167 Ų | 167 | 156.7 Ų | 156.7 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -63.3 | 104.8 | 168.7 | -173.4 | 169.2 | -164.5 | 0 | 0 | 107.5 | F3 E7 | F3-E5 PolarHBondContact O-N 3.4Å; E5-E7 PolarHBondContact O-N 3.4Å | ||
| 6 | K | 36.9 | Very low | 35.5 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -77 | 84.7 | 175.2 | -159.7 | -179.1 | -175.3 | -176.8 | 0 | 107.4 | I4 T8 | I4-K6 PolarHBondContact O-N 3.05Å; I4-K6 VanDerWaalsContact O-N 3.09Å; K6-T8 PolarHBondContact O-N 3.08Å | ||
| 7 | E | 34.2 | Very low | 35.5 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | -52.9 | 108.5 | 162.8 | -71.8 | -168 | 159.1 | 0 | 0 | 108.2 | E5 | E5-E7 PolarHBondContact O-N 3.4Š| ||
| 8 | T | 35.5 | Very low | 35.5 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | trans | -128.6 | 67.5 | 160.4 | 23.7 | 0 | 0 | 0 | 0 | 107.3 | K6 N10 | K6-T8 PolarHBondContact O-N 3.08Å; T8-N10 PolarHBondContact O-N 2.8Å | ||
| 9 | Y | 33 | Very low | 35.5 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -64 | 97.7 | 153.6 | -82.6 | -89 | 0 | 0 | 0 | 107.9 | ||||
| 10 | N | 34.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -116.1 | 89.4 | 158.6 | -80.7 | -15.6 | 0 | 0 | 0 | 108.2 | T8 Y12 | T8-N10 PolarHBondContact O-N 2.8Å; N10-Y12 PolarHBondContact O-N 3.36Å; N10-Y12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | N | 32.2 | Very low | 35.5 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 8 | 91.4 | 147.6 | -80.2 | -39.2 | 0 | 0 | 0 | 114.6 | S13 | N11-S13 PolarHBondContact O-N 3.35Å; N11-S13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | Y | 34.8 | Very low | 35.6 | Very low | 232 Ų | 232 | 150 Ų | 150 | 91% | 0.91 | 76% | 0.762 | S | S | * | * | trans | -67.1 | 104.9 | 148.6 | -98.3 | -96 | 0 | 0 | 0 | 107.1 | N10 S14 | N10-Y12 PolarHBondContact O-N 3.36Å; N10-Y12 VanDerWaalsContact O-N 3.13Å; Y12-S14 PolarHBondContact O-N 2.94Å | ||
| 13 | S | 36.6 | Very low | 36.2 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -56.1 | 113.2 | 164.6 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | N11 | N11-S13 PolarHBondContact O-N 3.35Å; N11-S13 VanDerWaalsContact O-N 3.11Å | ||
| 14 | S | 37.8 | Very low | 36.6 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -143.6 | 91.1 | 167.7 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | Y12 N16 | Y12-S14 PolarHBondContact O-N 2.94Å; S14-N16 PolarHBondContact O-N 3.08Å | ||
| 15 | I | 36.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 146 Ų | 146 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -49.8 | 127.4 | 158.5 | -65.2 | 159.9 | 0 | 0 | 0 | 108 | ||||
| 16 | N | 33.5 | Very low | 37.4 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 63.8 | 135.7 | 161.8 | -64.2 | -3.2 | 0 | 0 | 0 | 119.3 | S14 | S14-N16 PolarHBondContact O-N 3.08Š|
| 17 | D | 36.3 | Very low | 38 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 68 | 114.2 | 151.7 | -55.8 | -26.9 | 0 | 0 | 0 | 119.2 | ||||
| 18 | G | 34.6 | Very low | 38.7 | Very low | 57 Ų | 57 | 137.8 Ų | 137.8 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | trans | 78.7 | 129.6 | 131.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 19 | Y | 35.6 | Very low | 39.4 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 89% | 0.886 | 73% | 0.732 | S | S | * | * | trans | 75 | 95.3 | 174.1 | -46.3 | -77.5 | 0 | 0 | 0 | 113.4 | M21 | Y19-M21 PolarHBondContact O-N 2.98Š| ||
| 20 | V | 37.4 | Very low | 40.2 | Very low | 136 Ų | 136 | 136 Ų | 136 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -56.7 | 91.3 | 152.6 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | N22 | V20-N22 VanDerWaalsContact C-N 3.31Å; V20-N22 PolarHBondContact O-N 3.42Å | ||
| 21 | M | 34 | Very low | 41 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 84% | 0.842 | 71% | 0.713 | S | S | * | * | trans | -68.2 | 99.7 | 170.8 | -144.2 | 166.9 | -162.3 | 0 | 0 | 104.5 | Y19 P23 | Y19-M21 PolarHBondContact O-N 2.98Å; M21-P23 WeakPolarHBondContact O-CD 3.36Å | ||
| 22 | N | 37.9 | Very low | 41.9 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -48.5 | 120.7 | 171 | -80.5 | 28.6 | 0 | 0 | 0 | 106.3 | V20 I24 | V20-N22 VanDerWaalsContact C-N 3.31Å; V20-N22 PolarHBondContact O-N 3.42Å; N22-I24 PolarHBondContact O-N 3.13Å | ||
| 23 | P | 45 | Very low | 42.7 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | trans | -55.8 | 119.6 | -175.8 | 20.9 | -30.9 | 0 | 0 | 0 | 106.6 | M21 L25 | M21-P23 WeakPolarHBondContact O-CD 3.36Å; P23-L25 PolarHBondContact O-N 3.41Å | ||
| 24 | I | 44.8 | Very low | 43.5 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | trans | -52.8 | 106.6 | 159.9 | -67.1 | 168.8 | 0 | 0 | 0 | 102.7 | N22 I26 | N22-I24 PolarHBondContact O-N 3.13Å; I24-I26 HydrophobicContact CG2-CG1 4.31Å; I24-I26 PolarHBondContact O-N 3.34Å | ||
| 25 | L | 47.9 | Very low | 44 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | trans | -66.5 | 89 | 179.7 | -158.4 | 86.8 | 0 | 0 | 0 | 104.1 | P23 I27 | P23-L25 PolarHBondContact O-N 3.41Å; L25-I27 HydrophobicContact CB-CG1 4.44Å; L25-I27 HydrophobicContact CD2-CD1 4.01Å; L25-I27 HydrophobicContact CD2-CG1 3.59Å; L25-I27 HydrophobicContact CG-CG1 4.04Å; L25-I27 PolarHBondContact O-N 3.01Å | ||
| 26 | I | 47.1 | Very low | 44.7 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | trans | -68.1 | 83.1 | 167.4 | -57.9 | 171.5 | 0 | 0 | 0 | 103 | I24 N28 | I24-I26 HydrophobicContact CG2-CG1 4.31Å; I24-I26 PolarHBondContact O-N 3.34Å; I26-N28 PolarHBondContact O-N 3.26Å | ||
| 27 | I | 49.9 | Very low | 45.4 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 42% | 0.415 | 64% | 0.636 | S | S | . | * | trans | -61.4 | 98.5 | 167.9 | -60 | 172.2 | 0 | 0 | 0 | 103 | L25 N29 K31 L32 | L25-I27 HydrophobicContact CB-CG1 4.44Å; L25-I27 HydrophobicContact CD2-CD1 4.01Å; L25-I27 HydrophobicContact CD2-CG1 3.59Å; L25-I27 HydrophobicContact CG-CG1 4.04Å; L25-I27 PolarHBondContact O-N 3.01Å; I27-N29 PolarHBondContact O-N 3.01Å; I27-N29 VanDerWaalsContact O-N 3.13Å; I27-K31 HydrophobicContact CG2-CB 4.07Å; I27-L32 HydrophobicContact CG2-CB 4.18Å | ||
| 28 | N | 48 | Very low | 46.1 | Very low | 87 Ų | 87 | 117 Ų | 117 | 47% | 0.465 | 63% | 0.628 | S | S | . | * | trans | -39.8 | 124.2 | 170.6 | 176.5 | 1.6 | 0 | 0 | 0 | 107.1 | I26 Q30 K31 | I26-N28 PolarHBondContact O-N 3.26Å; N28-Q30 PolarHBondContact ND2-OE1 3Å; N28-Q30 CarbonylContact O-C 3.55Å; N28-Q30 PolarHBondContact O-N 3.34Å; N28-Q30 PolarHBondContact OD1-N 3.31Å; N28-K31 PolarHBondContact O-N 2.9Å | ||
| 29 | N | 50.6 | Low | 46.8 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -49.3 | -24.3 | -176.5 | -69 | -12.4 | 0 | 0 | 0 | 112.4 | I27 S33 | I27-N29 PolarHBondContact O-N 3.01Å; I27-N29 VanDerWaalsContact O-N 3.13Å; N29-S33 WeakPolarHBondContact O-CB 3.42Å; N29-S33 PolarHBondContact O-N 3.25Å |
| 30 | Q | 48.6 | Very low | 47.4 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 59% | 0.593 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.8 | -44.9 | 171.2 | -64 | -178.5 | -53.4 | 0 | 0 | 113.4 | N28 L32 S33 D34 | N28-Q30 PolarHBondContact ND2-OE1 3Å; N28-Q30 CarbonylContact O-C 3.55Å; N28-Q30 PolarHBondContact O-N 3.34Å; N28-Q30 PolarHBondContact OD1-N 3.31Å; Q30-L32 PolarHBondContact O-N 3.22Å; Q30-S33 CarbonylContact O-C 3.59Å; Q30-S33 VanDerWaalsContact O-CB 3.28Å; Q30-S33 WeakPolarHBondContact O-CB 3.46Å; Q30-S33 PolarHBondContact O-N 3.29Å; Q30-D34 WeakPolarHBondContact O-CB 3.41Å; Q30-D34 PolarHBondContact O-N 2.99Å |
| 31 | K | 52 | Low | 47.7 | Very low | 122 Ų | 122 | 113.6 Ų | 113.6 | 53% | 0.53 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.5 | -34.5 | -178.8 | -157.8 | 179.5 | -171.5 | -176.3 | 0 | 111.7 | I27 N28 D34 Y35 | I27-K31 HydrophobicContact CG2-CB 4.07Å; N28-K31 PolarHBondContact O-N 2.9Å; K31-D34 PolarHBondContact O-N 3.41Å; K31-Y35 HydrophobicContact CD-CE2 4.25Å; K31-Y35 HydrophobicContact CG-CD2 4.11Å; K31-Y35 HydrophobicContact CG-CE2 3.96Å; K31-Y35 WeakPolarHBondContact O-CD2 3.36Å; K31-Y35 PolarHBondContact O-N 3.47Å |
| 32 | L | 51.3 | Low | 48.5 | Very low | 103 Ų | 103 | 111.3 Ų | 111.3 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.9 | -42.6 | 173.3 | -170.8 | 67.3 | 0 | 0 | 0 | 111.1 | I27 Q30 D34 Y35 V36 | I27-L32 HydrophobicContact CG2-CB 4.18Å; Q30-L32 PolarHBondContact O-N 3.22Å; L32-D34 VanDerWaalsContact C-N 3.29Å; L32-D34 PolarHBondContact O-N 3.02Å; L32-Y35 PolarHBondContact O-N 2.99Å; L32-V36 WeakPolarHBondContact O-CG2 3.1Å; L32-V36 PolarHBondContact O-N 3.29Å |
| 33 | S | 51.6 | Low | 49.1 | Very low | 59 Ų | 59 | 108 Ų | 108 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -53.5 | -47 | 168.3 | 149.9 | 0 | 0 | 0 | 0 | 111.1 | N29 Q30 Y35 V36 T37 | N29-S33 WeakPolarHBondContact O-CB 3.42Å; N29-S33 PolarHBondContact O-N 3.25Å; Q30-S33 CarbonylContact O-C 3.59Å; Q30-S33 VanDerWaalsContact O-CB 3.28Å; Q30-S33 WeakPolarHBondContact O-CB 3.46Å; Q30-S33 PolarHBondContact O-N 3.29Å; S33-Y35 PolarHBondContact O-N 3.45Å; S33-V36 PolarHBondContact O-N 3.38Å; S33-T37 VanDerWaalsContact O-CB 3.28Å; S33-T37 WeakPolarHBondContact O-CB 3.43Å; S33-T37 PolarHBondContact O-N 2.92Å; S33-T37 PolarHBondContact O-OG1 2.94Å |
| 34 | D | 52.5 | Low | 49.6 | Very low | 95 Ų | 95 | 107.8 Ų | 107.8 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.6 | -33.6 | -179.7 | -63.5 | -19.9 | 0 | 0 | 0 | 111.9 | Q30 K31 L32 T37 A38 | Q30-D34 WeakPolarHBondContact O-CB 3.41Å; Q30-D34 PolarHBondContact O-N 2.99Å; K31-D34 PolarHBondContact O-N 3.41Å; L32-D34 VanDerWaalsContact C-N 3.29Å; L32-D34 PolarHBondContact O-N 3.02Å; D34-T37 PolarHBondContact O-N 3.42Å; D34-A38 WeakPolarHBondContact O-CA 3.32Å; D34-A38 WeakPolarHBondContact O-CB 3.46Å; D34-A38 PolarHBondContact O-N 3.39Å |
| 35 | Y | 49.3 | Very low | 50.5 | Low | 134 Ų | 134 | 103.2 Ų | 103.2 | 53% | 0.525 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.1 | -39.2 | 172 | -89.4 | -76.1 | 0 | 0 | 0 | 112 | K31 L32 S33 T37 N39 | K31-Y35 HydrophobicContact CD-CE2 4.25Å; K31-Y35 HydrophobicContact CG-CD2 4.11Å; K31-Y35 HydrophobicContact CG-CE2 3.96Å; K31-Y35 WeakPolarHBondContact O-CD2 3.36Å; K31-Y35 PolarHBondContact O-N 3.47Å; L32-Y35 PolarHBondContact O-N 2.99Å; S33-Y35 PolarHBondContact O-N 3.45Å; Y35-T37 VanDerWaalsContact C-N 3.33Å; Y35-N39 WeakPolarHBondContact O-CB 3.39Å; Y35-N39 PolarHBondContact O-N 3.4Å; Y35-N39 PolarHBondContact O-ND2 3.01Å |
| 36 | V | 51.2 | Low | 51.1 | Low | 81 Ų | 81 | 105.4 Ų | 105.4 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.5 | -35.8 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 111 | L32 S33 L41 | L32-V36 WeakPolarHBondContact O-CG2 3.1Å; L32-V36 PolarHBondContact O-N 3.29Å; S33-V36 PolarHBondContact O-N 3.38Å; V36-L41 HydrophobicContact CG1-CD1 4.43Å |
| 37 | T | 48.3 | Very low | 52.3 | Low | 88 Ų | 88 | 102.7 Ų | 102.7 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -82.1 | -38.2 | -179.2 | -46.2 | 0 | 0 | 0 | 0 | 112.2 | S33 D34 Y35 N39 N40 | S33-T37 VanDerWaalsContact O-CB 3.28Å; S33-T37 WeakPolarHBondContact O-CB 3.43Å; S33-T37 PolarHBondContact O-N 2.92Å; S33-T37 PolarHBondContact O-OG1 2.94Å; D34-T37 PolarHBondContact O-N 3.42Å; Y35-T37 VanDerWaalsContact C-N 3.33Å; T37-N39 VanDerWaalsContact C-N 3.32Å; T37-N40 WeakPolarHBondContact O-CA 3.22Å; T37-N40 PolarHBondContact O-N 3.18Å |
| 38 | A | 50.6 | Low | 53.4 | Low | 76 Ų | 76 | 102 Ų | 102 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.8 | -29.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D34 N40 | D34-A38 WeakPolarHBondContact O-CA 3.32Å; D34-A38 WeakPolarHBondContact O-CB 3.46Å; D34-A38 PolarHBondContact O-N 3.39Å; A38-N40 PolarHBondContact O-N 2.96Å; A38-N40 VanDerWaalsContact O-N 3.14Å |
| 39 | N | 48.9 | Very low | 54.7 | Low | 110 Ų | 110 | 106.6 Ų | 106.6 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 8.5 | 166.7 | -75.1 | -16.5 | 0 | 0 | 0 | 113 | Y35 T37 L41 | Y35-N39 WeakPolarHBondContact O-CB 3.39Å; Y35-N39 PolarHBondContact O-N 3.4Å; Y35-N39 PolarHBondContact O-ND2 3.01Å; T37-N39 VanDerWaalsContact C-N 3.32Å; N39-L41 HydrophobicContact CB-CD1 4.49Å; N39-L41 HydrophobicContact CB-CG 4.31Å; N39-L41 WeakPolarHBondContact O-CA 3.35Å; N39-L41 PolarHBondContact O-N 3.32Å |
| 40 | N | 48.1 | Very low | 56.1 | Low | 130 Ų | 130 | 105.3 Ų | 105.3 | 70% | 0.695 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.1 | 55.1 | 165.2 | -118.3 | -29.1 | 0 | 0 | 0 | 109 | T37 A38 E42 | T37-N40 WeakPolarHBondContact O-CA 3.22Å; T37-N40 PolarHBondContact O-N 3.18Å; A38-N40 PolarHBondContact O-N 2.96Å; A38-N40 VanDerWaalsContact O-N 3.14Å; N40-E42 PolarHBondContact O-N 2.97Å |
| 41 | L | 44.1 | Very low | 57.7 | Low | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | trans | -72.6 | 73.8 | -175.2 | -83.2 | 159.2 | 0 | 0 | 0 | 104.8 | V36 N39 S43 | V36-L41 HydrophobicContact CG1-CD1 4.43Å; N39-L41 HydrophobicContact CB-CD1 4.49Å; N39-L41 HydrophobicContact CB-CG 4.31Å; N39-L41 WeakPolarHBondContact O-CA 3.35Å; N39-L41 PolarHBondContact O-N 3.32Å; L41-S43 PolarHBondContact O-N 3.04Å; L41-S43 PolarHBondContact O-OG 2.92Å | ||
| 42 | E | 51.2 | Low | 59.1 | Low | 124 Ų | 124 | 97.1 Ų | 97.1 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 12.7 | 149.8 | -92.8 | -163.5 | 135.8 | 0 | 0 | 111.9 | N40 T44 S45 W46 | N40-E42 PolarHBondContact O-N 2.97Å; E42-T44 PolarHBondContact O-N 3.02Å; E42-S45 PolarHBondContact O-N 3.3Å; E42-S45 PolarHBondContact O-OG 2.76Å; E42-W46 PolarHBondContact O-N 3.41Å |
| 43 | S | 49.6 | Very low | 60.7 | Low | 61 Ų | 61 | 95.3 Ų | 95.3 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -36.5 | -42.1 | 165.7 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | L41 S45 W46 T47 | L41-S43 PolarHBondContact O-N 3.04Å; L41-S43 PolarHBondContact O-OG 2.92Å; S43-S45 PolarHBondContact O-N 3.46Å; S43-W46 PolarHBondContact O-N 2.9Å; S43-T47 WeakPolarHBondContact O-CB 3.42Å; S43-T47 WeakPolarHBondContact O-CG2 3.39Å; S43-T47 PolarHBondContact O-N 3.19Å; S43-T47 PolarHBondContact O-OG1 2.91Å |
| 44 | T | 56.9 | Low | 62.4 | Low | 104 Ų | 104 | 96 Ų | 96 | 64% | 0.638 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 178 | -41.2 | 0 | 0 | 0 | 0 | 113.5 | E42 T47 L48 | E42-T44 PolarHBondContact O-N 3.02Å; T44-T47 PolarHBondContact O-OG1 2.96Å; T44-L48 VanDerWaalsContact O-CB 3.3Å; T44-L48 WeakPolarHBondContact O-CB 3.21Å; T44-L48 PolarHBondContact O-N 3.29Å |
| 45 | S | 63.1 | Low | 64 | Low | 51 Ų | 51 | 93.8 Ų | 93.8 | 36% | 0.357 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.5 | -40.7 | -178.5 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | E42 S43 W49 | E42-S45 PolarHBondContact O-N 3.3Å; E42-S45 PolarHBondContact O-OG 2.76Å; S43-S45 PolarHBondContact O-N 3.46Å; S45-W49 WeakPolarHBondContact O-CB 3.5Å; S45-W49 PolarHBondContact O-N 3.23Å |
| 46 | W | 59.3 | Low | 65.7 | Low | 182 Ų | 182 | 91.6 Ų | 91.6 | 69% | 0.689 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -44.5 | 178.5 | -74.8 | 87.3 | 0 | 0 | 0 | 112.6 | E42 S43 L48 W49 L50 | E42-W46 PolarHBondContact O-N 3.41Å; S43-W46 PolarHBondContact O-N 2.9Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L48 PolarHBondContact O-N 3.49Å; W46-W49 PolarHBondContact O-N 3.37Å; W46-L50 WeakPolarHBondContact O-CB 3.18Å; W46-L50 PolarHBondContact O-N 3.34Å |
| 47 | T | 74.2 | Confident | 67.6 | Low | 95 Ų | 95 | 92.6 Ų | 92.6 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -38.3 | 178.8 | 51.8 | 0 | 0 | 0 | 0 | 112 | S43 T44 L50 G51 | S43-T47 WeakPolarHBondContact O-CB 3.42Å; S43-T47 WeakPolarHBondContact O-CG2 3.39Å; S43-T47 PolarHBondContact O-N 3.19Å; S43-T47 PolarHBondContact O-OG1 2.91Å; T44-T47 PolarHBondContact O-OG1 2.96Å; T47-L50 PolarHBondContact O-N 3.41Å; T47-G51 PolarHBondContact O-N 3.39Å |
| 48 | L | 71.3 | Confident | 69.5 | Low | 67 Ų | 67 | 91.9 Ų | 91.9 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 177 | -171.7 | 155.2 | 0 | 0 | 0 | 110.3 | T44 W46 L50 G51 I52 D109 | T44-L48 VanDerWaalsContact O-CB 3.3Å; T44-L48 WeakPolarHBondContact O-CB 3.21Å; T44-L48 PolarHBondContact O-N 3.29Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L48 PolarHBondContact O-N 3.49Å; L48-L50 PolarHBondContact O-N 2.93Å; L48-G51 PolarHBondContact O-N 3Å; L48-I52 HydrophobicContact CD2-CD1 3.43Å; L48-I52 VanDerWaalsContact CD2-CD1 3.43Å; L48-I52 HydrophobicContact CD2-CG1 4.33Å; L48-I52 VanDerWaalsContact O-CG1 3.32Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.03Å; L48-D109 VanDerWaalsContact CD1-OD2 3.31Å; L48-D109 WeakPolarHBondContact CD1-OD2 3.28Å |
| 49 | W | 75.6 | Confident | 71.2 | Confident | 182 Ų | 182 | 89.6 Ų | 89.6 | 69% | 0.689 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 174.7 | -114.8 | 77.8 | 0 | 0 | 0 | 112.8 | S45 W46 G51 I52 T53 | S45-W49 WeakPolarHBondContact O-CB 3.5Å; S45-W49 PolarHBondContact O-N 3.23Å; W46-W49 PolarHBondContact O-N 3.37Å; W49-G51 VanDerWaalsContact C-N 3.33Å; W49-G51 PolarHBondContact O-N 3.36Å; W49-I52 PolarHBondContact O-N 3.36Å; W49-T53 HydrophobicContact CE3-CG2 4.06Å; W49-T53 HydrophobicContact CZ3-CG2 4.31Å; W49-T53 WeakPolarHBondContact O-CG2 3.34Å; W49-T53 PolarHBondContact O-N 3.27Å; W49-T53 PolarHBondContact O-OG1 3.48Å |
| 50 | L | 80.1 | Confident | 73.2 | Confident | 112 Ų | 112 | 89.1 Ų | 89.1 | 59% | 0.586 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 179.5 | -145.2 | 161.4 | 0 | 0 | 0 | 110.5 | W46 T47 L48 I52 T53 V54 | W46-L50 WeakPolarHBondContact O-CB 3.18Å; W46-L50 PolarHBondContact O-N 3.34Å; T47-L50 PolarHBondContact O-N 3.41Å; L48-L50 PolarHBondContact O-N 2.93Å; L50-I52 PolarHBondContact O-N 3.19Å; L50-T53 PolarHBondContact O-N 2.93Å; L50-T53 PolarHBondContact O-OG1 2.97Å; L50-V54 HydrophobicContact CD2-CG2 3.95Å; L50-V54 WeakPolarHBondContact O-CG2 3.48Å; L50-V54 PolarHBondContact O-N 3.49Å; L50-V54 VanDerWaalsContact O-N 3.11Å |
| 51 | G | 81.7 | Confident | 75.2 | Confident | 37 Ų | 37 | 87.5 Ų | 87.5 | 38% | 0.381 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58 | -46.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T47 L48 W49 T53 V55 | T47-G51 PolarHBondContact O-N 3.39Å; L48-G51 PolarHBondContact O-N 3Å; W49-G51 VanDerWaalsContact C-N 3.33Å; W49-G51 PolarHBondContact O-N 3.36Å; G51-T53 PolarHBondContact O-N 3.09Å; G51-V55 WeakPolarHBondContact O-CG2 3.46Å; G51-V55 PolarHBondContact O-N 2.9Å; G51-V55 VanDerWaalsContact O-N 3.15Å |
| 52 | I | 82.6 | Confident | 77.4 | Confident | 41 Ų | 41 | 85.4 Ų | 85.4 | 21% | 0.21 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 178.5 | -67.2 | 170 | 0 | 0 | 0 | 111.5 | L48 W49 L50 V54 V55 L56 I106 | L48-I52 HydrophobicContact CD2-CD1 3.43Å; L48-I52 VanDerWaalsContact CD2-CD1 3.43Å; L48-I52 HydrophobicContact CD2-CG1 4.33Å; L48-I52 VanDerWaalsContact O-CG1 3.32Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.03Å; W49-I52 PolarHBondContact O-N 3.36Å; L50-I52 PolarHBondContact O-N 3.19Å; I52-V54 PolarHBondContact O-N 3.01Å; I52-V55 PolarHBondContact O-N 3.23Å; I52-L56 HydrophobicContact CG2-CD1 3.8Å; I52-L56 HydrophobicContact CG2-CG 4.27Å; I52-L56 WeakPolarHBondContact O-CG 3.28Å; I52-L56 PolarHBondContact O-N 2.88Å; I52-I106 HydrophobicContact CD1-CD1 4.49Å; I52-I106 HydrophobicContact CD1-CG2 4.14Å; I52-I106 HydrophobicContact CG1-CD1 4.12Å; I52-I106 HydrophobicContact CG1-CG1 4.34Å; I52-I106 HydrophobicContact CG2-CD1 4.49Å |
| 53 | T | 84.8 | Confident | 79.2 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | -177.8 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | W49 L50 G51 L56 L57 | W49-T53 HydrophobicContact CE3-CG2 4.06Å; W49-T53 HydrophobicContact CZ3-CG2 4.31Å; W49-T53 WeakPolarHBondContact O-CG2 3.34Å; W49-T53 PolarHBondContact O-N 3.27Å; W49-T53 PolarHBondContact O-OG1 3.48Å; L50-T53 PolarHBondContact O-N 2.93Å; L50-T53 PolarHBondContact O-OG1 2.97Å; G51-T53 PolarHBondContact O-N 3.09Å; T53-L56 PolarHBondContact O-N 2.93Å; T53-L57 VanDerWaalsContact O-CB 3.29Å; T53-L57 WeakPolarHBondContact O-CB 3.33Å; T53-L57 PolarHBondContact O-N 3.43Å |
| 54 | V | 87.3 | Confident | 81.2 | Confident | 74 Ų | 74 | 84.8 Ų | 84.8 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.7 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | L50 I52 L57 T58 | L50-V54 HydrophobicContact CD2-CG2 3.95Å; L50-V54 WeakPolarHBondContact O-CG2 3.48Å; L50-V54 PolarHBondContact O-N 3.49Å; L50-V54 VanDerWaalsContact O-N 3.11Å; I52-V54 PolarHBondContact O-N 3.01Å; V54-L57 PolarHBondContact O-N 3.48Å; V54-T58 WeakPolarHBondContact O-CG2 3.32Å; V54-T58 PolarHBondContact O-N 3.17Å; V54-T58 PolarHBondContact O-OG1 2.88Å |
| 55 | V | 85.8 | Confident | 82.9 | Confident | 48 Ų | 48 | 84.9 Ų | 84.9 | 29% | 0.291 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 178.6 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | G51 I52 L57 T58 M59 F102 | G51-V55 WeakPolarHBondContact O-CG2 3.46Å; G51-V55 PolarHBondContact O-N 2.9Å; G51-V55 VanDerWaalsContact O-N 3.15Å; I52-V55 PolarHBondContact O-N 3.23Å; V55-L57 VanDerWaalsContact C-N 3.33Å; V55-L57 PolarHBondContact O-N 3Å; V55-T58 WeakPolarHBondContact CA-OG1 3.32Å; V55-T58 PolarHBondContact O-N 3.3Å; V55-T58 PolarHBondContact O-OG1 2.86Å; V55-M59 WeakPolarHBondContact O-CB 3.29Å; V55-M59 PolarHBondContact O-N 2.91Å; V55-F102 HydrophobicContact CB-CD2 4.28Å; V55-F102 HydrophobicContact CB-CE1 3.97Å; V55-F102 HydrophobicContact CB-CE2 3.56Å; V55-F102 HydrophobicContact CB-CZ 3.35Å; V55-F102 HydrophobicContact CG1-CD1 3.83Å; V55-F102 HydrophobicContact CG1-CD2 3.49Å; V55-F102 VanDerWaalsContact CG1-CD2 3.49Å; V55-F102 HydrophobicContact CG1-CE1 3.61Å; V55-F102 HydrophobicContact CG1-CE2 3.28Å; V55-F102 HydrophobicContact CG1-CG 3.76Å; V55-F102 HydrophobicContact CG1-CZ 3.33Å; V55-F102 HydrophobicContact CG2-CE2 3.76Å; V55-F102 HydrophobicContact CG2-CZ 3.99Å |
| 56 | L | 85.8 | Confident | 84.1 | Confident | 89 Ų | 89 | 83.5 Ų | 83.5 | 47% | 0.466 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 174.5 | -72.2 | 175.5 | 0 | 0 | 0 | 111.7 | I52 T53 M59 I60 F102 | I52-L56 HydrophobicContact CG2-CD1 3.8Å; I52-L56 HydrophobicContact CG2-CG 4.27Å; I52-L56 WeakPolarHBondContact O-CG 3.28Å; I52-L56 PolarHBondContact O-N 2.88Å; T53-L56 PolarHBondContact O-N 2.93Å; L56-M59 WeakPolarHBondContact O-CB 3.36Å; L56-M59 PolarHBondContact O-N 3.38Å; L56-I60 WeakPolarHBondContact O-CG1 3.4Å; L56-I60 PolarHBondContact O-N 3.33Å; L56-F102 HydrophobicContact CD2-CE1 4.24Å; L56-F102 HydrophobicContact CG-CE1 4.38Å |
| 57 | L | 89.4 | Confident | 85.6 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 53% | 0.534 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -49.3 | 177.4 | 179.3 | 64.5 | 0 | 0 | 0 | 111.5 | T53 V54 V55 M59 I60 I61 | T53-L57 VanDerWaalsContact O-CB 3.29Å; T53-L57 WeakPolarHBondContact O-CB 3.33Å; T53-L57 PolarHBondContact O-N 3.43Å; V54-L57 PolarHBondContact O-N 3.48Å; V55-L57 VanDerWaalsContact C-N 3.33Å; V55-L57 PolarHBondContact O-N 3Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.44Å; L57-I60 PolarHBondContact O-N 3.46Å; L57-I61 HydrophobicContact CD1-CD1 4.03Å; L57-I61 HydrophobicContact CD1-CG1 4.45Å; L57-I61 HydrophobicContact CG-CD1 3.88Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.44Å; L57-I61 PolarHBondContact O-N 3.34Å |
| 58 | T | 88.9 | Confident | 86.3 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 178.9 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | V54 V55 I61 T62 | V54-T58 WeakPolarHBondContact O-CG2 3.32Å; V54-T58 PolarHBondContact O-N 3.17Å; V54-T58 PolarHBondContact O-OG1 2.88Å; V55-T58 WeakPolarHBondContact CA-OG1 3.32Å; V55-T58 PolarHBondContact O-N 3.3Å; V55-T58 PolarHBondContact O-OG1 2.86Å; T58-I61 PolarHBondContact O-N 2.99Å; T58-T62 WeakPolarHBondContact O-CB 3.42Å; T58-T62 VanDerWaalsContact O-CG2 3.28Å; T58-T62 WeakPolarHBondContact O-CG2 3.39Å; T58-T62 PolarHBondContact O-N 2.96Å; T58-T62 PolarHBondContact O-OG1 2.97Å |
| 59 | M | 87.5 | Confident | 87.1 | Confident | 28 Ų | 28 | 77.6 Ų | 77.6 | 14% | 0.138 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.3 | -51.7 | 171.4 | -171.2 | 67.5 | 72.1 | 0 | 0 | 110.7 | V55 L56 L57 I61 T62 W63 L99 | V55-M59 WeakPolarHBondContact O-CB 3.29Å; V55-M59 PolarHBondContact O-N 2.91Å; L56-M59 WeakPolarHBondContact O-CB 3.36Å; L56-M59 PolarHBondContact O-N 3.38Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.44Å; M59-I61 VanDerWaalsContact C-N 3.33Å; M59-I61 PolarHBondContact O-N 3.49Å; M59-T62 WeakPolarHBondContact CA-OG1 3.41Å; M59-T62 PolarHBondContact O-N 2.99Å; M59-T62 PolarHBondContact O-OG1 3.23Å; M59-W63 PolarHBondContact O-N 3Å; M59-W63 PolarHBondContact SD-NE1 2.99Å; M59-W63 VanDerWaalsContact SD-NE1 3.4Å; M59-L99 HydrophobicContact CE-CB 4.27Å; M59-L99 HydrophobicContact CE-CD1 4.19Å; M59-L99 HydrophobicContact CG-CD1 4.01Å; M59-L99 HydrophobicContact SD-CB 4.36Å; M59-L99 HydrophobicContact SD-CD1 4.13Å |
| 60 | I | 89.4 | Confident | 87.7 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | -179.9 | -66.8 | 163.6 | 0 | 0 | 0 | 111.4 | L56 L57 T62 W63 I64 | L56-I60 WeakPolarHBondContact O-CG1 3.4Å; L56-I60 PolarHBondContact O-N 3.33Å; L57-I60 PolarHBondContact O-N 3.46Å; I60-T62 PolarHBondContact O-N 3.25Å; I60-W63 PolarHBondContact O-N 3.47Å; I60-I64 HydrophobicContact CG2-CD1 3.78Å; I60-I64 HydrophobicContact CG2-CG1 4.44Å; I60-I64 WeakPolarHBondContact O-CG1 3.45Å; I60-I64 PolarHBondContact O-N 2.92Å |
| 61 | I | 91.6 | Very high | 88 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 179.5 | -68.2 | 167.6 | 0 | 0 | 0 | 111.1 | L57 T58 M59 W63 I64 L65 | L57-I61 HydrophobicContact CD1-CD1 4.03Å; L57-I61 HydrophobicContact CD1-CG1 4.45Å; L57-I61 HydrophobicContact CG-CD1 3.88Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.44Å; L57-I61 PolarHBondContact O-N 3.34Å; T58-I61 PolarHBondContact O-N 2.99Å; M59-I61 VanDerWaalsContact C-N 3.33Å; M59-I61 PolarHBondContact O-N 3.49Å; I61-W63 VanDerWaalsContact C-N 3.33Å; I61-W63 PolarHBondContact O-N 3.08Å; I61-I64 PolarHBondContact O-N 3.43Å; I61-L65 WeakPolarHBondContact O-CB 3.38Å; I61-L65 PolarHBondContact O-N 3.31Å |
| 62 | T | 89.8 | Confident | 88.3 | Confident | 64 Ų | 64 | 73 Ų | 73 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 179.5 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | T58 M59 I60 L65 H66 | T58-T62 WeakPolarHBondContact O-CB 3.42Å; T58-T62 VanDerWaalsContact O-CG2 3.28Å; T58-T62 WeakPolarHBondContact O-CG2 3.39Å; T58-T62 PolarHBondContact O-N 2.96Å; T58-T62 PolarHBondContact O-OG1 2.97Å; M59-T62 WeakPolarHBondContact CA-OG1 3.41Å; M59-T62 PolarHBondContact O-N 2.99Å; M59-T62 PolarHBondContact O-OG1 3.23Å; I60-T62 PolarHBondContact O-N 3.25Å; T62-L65 PolarHBondContact O-N 2.98Å; T62-H66 WeakPolarHBondContact O-CB 3.22Å; T62-H66 PolarHBondContact O-N 3.44Å |
| 63 | W | 88.6 | Confident | 88.3 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 26% | 0.258 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 173.9 | -85.6 | 79.2 | 0 | 0 | 0 | 112.7 | M59 I60 I61 L65 H66 I67 F92 M95 L99 | M59-W63 PolarHBondContact O-N 3Å; M59-W63 PolarHBondContact SD-NE1 2.99Å; M59-W63 VanDerWaalsContact SD-NE1 3.4Å; I60-W63 PolarHBondContact O-N 3.47Å; I61-W63 VanDerWaalsContact C-N 3.33Å; I61-W63 PolarHBondContact O-N 3.08Å; W63-L65 VanDerWaalsContact C-N 3.29Å; W63-L65 PolarHBondContact O-N 3.4Å; W63-H66 PolarHBondContact O-N 3.31Å; W63-I67 WeakPolarHBondContact O-CG1 3.5Å; W63-I67 PolarHBondContact O-N 2.86Å; W63-F92 HydrophobicContact CH2-CD2 4.27Å; W63-F92 AromaticContact CH2-CE2 3.61Å; W63-F92 HydrophobicContact CH2-CE2 3.61Å; W63-F92 HydrophobicContact CH2-CZ 4.36Å; W63-F92 HydrophobicContact CZ3-CD2 4.39Å; W63-F92 AromaticContact CZ3-CE2 3.8Å; W63-F92 HydrophobicContact CZ3-CE2 3.8Å; W63-M95 VanDerWaalsContact CA-CE 3.5Å; W63-M95 HydrophobicContact CB-CE 4.14Å; W63-M95 VanDerWaalsContact CD1-CE 3.42Å; W63-M95 HydrophobicContact CD2-CE 3.97Å; W63-M95 HydrophobicContact CG-CE 3.61Å; W63-L99 HydrophobicContact CZ2-CD2 3.85Å |
| 64 | I | 92.2 | Very high | 88.1 | Confident | 105 Ų | 105 | 72.1 Ų | 72.1 | 54% | 0.538 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 177.1 | -68 | 167.4 | 0 | 0 | 0 | 110.7 | I60 I61 I67 S68 | I60-I64 HydrophobicContact CG2-CD1 3.78Å; I60-I64 HydrophobicContact CG2-CG1 4.44Å; I60-I64 WeakPolarHBondContact O-CG1 3.45Å; I60-I64 PolarHBondContact O-N 2.92Å; I61-I64 PolarHBondContact O-N 3.43Å; I64-I67 PolarHBondContact O-N 3.15Å; I64-S68 WeakPolarHBondContact O-CB 3.33Å; I64-S68 PolarHBondContact O-N 3.44Å; I64-S68 PolarHBondContact O-OG 3.4Å |
| 65 | L | 91.1 | Very high | 87.9 | Confident | 106 Ų | 106 | 78.2 Ų | 78.2 | 56% | 0.555 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 177.4 | -173.9 | 66.6 | 0 | 0 | 0 | 111.5 | I61 T62 W63 S68 I69 | I61-L65 WeakPolarHBondContact O-CB 3.38Å; I61-L65 PolarHBondContact O-N 3.31Å; T62-L65 PolarHBondContact O-N 2.98Å; W63-L65 VanDerWaalsContact C-N 3.29Å; W63-L65 PolarHBondContact O-N 3.4Å; L65-S68 WeakPolarHBondContact O-CB 3.35Å; L65-S68 PolarHBondContact O-N 3.41Å; L65-I69 HydrophobicContact CG-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.44Å; L65-I69 PolarHBondContact O-N 3.45Å |
| 66 | H | 89.7 | Confident | 87.5 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 10% | 0.102 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 179.8 | -162.4 | 58.9 | 0 | 0 | 0 | 112.5 | T62 W63 S68 I69 M70 I88 F92 M95 | T62-H66 WeakPolarHBondContact O-CB 3.22Å; T62-H66 PolarHBondContact O-N 3.44Å; W63-H66 PolarHBondContact O-N 3.31Å; H66-S68 VanDerWaalsContact C-N 3.32Å; H66-S68 PolarHBondContact O-N 3.44Å; H66-I69 PolarHBondContact O-N 3.43Å; H66-M70 PolarHBondContact O-N 3.5Å; H66-I88 PolarHBondContact CE1-O 3.46Å; H66-I88 VanDerWaalsContact CE1-O 3.3Å; H66-I88 PolarHBondContact NE2-O 2.94Å; H66-F92 PolarHBondContact NE2-N 2.93Å; H66-M95 HydrophobicContact CB-CE 3.98Å; H66-M95 HydrophobicContact CB-SD 3.62Å; H66-M95 VanDerWaalsContact CG-SD 3.53Å |
| 67 | I | 89.2 | Confident | 86.6 | Confident | 82 Ų | 82 | 81 Ų | 81 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 174.1 | -63.6 | -58.6 | 0 | 0 | 0 | 111.4 | W63 I64 I69 M70 I71 | W63-I67 WeakPolarHBondContact O-CG1 3.5Å; W63-I67 PolarHBondContact O-N 2.86Å; I64-I67 PolarHBondContact O-N 3.15Å; I67-I69 VanDerWaalsContact C-N 3.33Å; I67-I69 PolarHBondContact O-N 3.15Å; I67-M70 WeakPolarHBondContact O-CB 3.38Å; I67-M70 PolarHBondContact O-N 3.48Å; I67-I71 HydrophobicContact CG2-CD1 3.92Å; I67-I71 WeakPolarHBondContact O-CG1 3.29Å; I67-I71 PolarHBondContact O-N 2.9Å |
| 68 | S | 90.7 | Very high | 85.5 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 42% | 0.42 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | I64 L65 H66 I71 S72 | I64-S68 WeakPolarHBondContact O-CB 3.33Å; I64-S68 PolarHBondContact O-N 3.44Å; I64-S68 PolarHBondContact O-OG 3.4Å; L65-S68 WeakPolarHBondContact O-CB 3.35Å; L65-S68 PolarHBondContact O-N 3.41Å; H66-S68 VanDerWaalsContact C-N 3.32Å; H66-S68 PolarHBondContact O-N 3.44Å; S68-I71 PolarHBondContact O-N 3.24Å; S68-S72 WeakPolarHBondContact O-CB 3.33Å; S68-S72 PolarHBondContact O-N 3.05Å |
| 69 | I | 87.8 | Confident | 84.2 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 175.2 | -65.9 | 162.7 | 0 | 0 | 0 | 110.6 | L65 H66 I67 I71 S72 V73 I88 | L65-I69 HydrophobicContact CG-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.44Å; L65-I69 PolarHBondContact O-N 3.45Å; H66-I69 PolarHBondContact O-N 3.43Å; I67-I69 VanDerWaalsContact C-N 3.33Å; I67-I69 PolarHBondContact O-N 3.15Å; I69-I71 VanDerWaalsContact C-N 3.34Å; I69-I71 PolarHBondContact O-N 3.47Å; I69-S72 WeakPolarHBondContact O-CB 3.33Å; I69-S72 PolarHBondContact O-N 3.36Å; I69-V73 HydrophobicContact CG2-CG2 4.43Å; I69-V73 PolarHBondContact O-N 3.48Å; I69-I88 HydrophobicContact CG2-CG1 4.33Å |
| 70 | M | 87.3 | Confident | 83.2 | Confident | 68 Ų | 68 | 87.2 Ų | 87.2 | 34% | 0.335 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -50.5 | -53.2 | 173 | -90.7 | -65.8 | -150.7 | 0 | 0 | 111.7 | H66 I67 S72 V73 C74 I88 | H66-M70 PolarHBondContact O-N 3.5Å; I67-M70 WeakPolarHBondContact O-CB 3.38Å; I67-M70 PolarHBondContact O-N 3.48Å; M70-S72 VanDerWaalsContact C-N 3.31Å; M70-S72 PolarHBondContact O-N 3.44Å; M70-V73 PolarHBondContact O-N 2.92Å; M70-C74 WeakPolarHBondContact O-CB 3.38Å; M70-C74 PolarHBondContact O-N 3.34Å; M70-C74 PolarHBondContact O-SG 2.97Å; M70-I88 HydrophobicContact CE-CB 4.36Å; M70-I88 HydrophobicContact CE-CG2 3.44Å; M70-I88 VanDerWaalsContact CE-CG2 3.44Å; M70-I88 HydrophobicContact CG-CG2 3.44Å; M70-I88 VanDerWaalsContact CG-CG2 3.44Å; M70-I88 HydrophobicContact SD-CB 3.99Å; M70-I88 HydrophobicContact SD-CD1 3.86Å; M70-I88 HydrophobicContact SD-CG1 4.42Å; M70-I88 HydrophobicContact SD-CG2 3.18Å; M70-I88 WeakPolarHBondContact SD-CG2 3.45Å |
| 71 | I | 87.7 | Confident | 82.4 | Confident | 104 Ų | 104 | 88 Ų | 88 | 53% | 0.533 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | -178.6 | -66 | 164.3 | 0 | 0 | 0 | 110.6 | I67 S68 I69 C74 R75 | I67-I71 HydrophobicContact CG2-CD1 3.92Å; I67-I71 WeakPolarHBondContact O-CG1 3.29Å; I67-I71 PolarHBondContact O-N 2.9Å; S68-I71 PolarHBondContact O-N 3.24Å; I69-I71 VanDerWaalsContact C-N 3.34Å; I69-I71 PolarHBondContact O-N 3.47Å; I71-C74 PolarHBondContact O-N 2.87Å; I71-R75 WeakPolarHBondContact O-CB 3.5Å; I71-R75 PolarHBondContact O-N 3.11Å |
| 72 | S | 86.3 | Confident | 81.7 | Confident | 62 Ų | 62 | 88.5 Ų | 88.5 | 43% | 0.434 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 178.5 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | S68 I69 M70 R75 N76 | S68-S72 WeakPolarHBondContact O-CB 3.33Å; S68-S72 PolarHBondContact O-N 3.05Å; I69-S72 WeakPolarHBondContact O-CB 3.33Å; I69-S72 PolarHBondContact O-N 3.36Å; M70-S72 VanDerWaalsContact C-N 3.31Å; M70-S72 PolarHBondContact O-N 3.44Å; S72-R75 PolarHBondContact O-N 2.94Å; S72-N76 WeakPolarHBondContact O-CB 3.37Å; S72-N76 PolarHBondContact O-N 3.34Å |
| 73 | V | 83.9 | Confident | 81.5 | Confident | 10 Ų | 10 | 88.7 Ų | 88.7 | 6% | 0.061 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | I69 M70 R75 N76 M79 I88 | I69-V73 HydrophobicContact CG2-CG2 4.43Å; I69-V73 PolarHBondContact O-N 3.48Å; M70-V73 PolarHBondContact O-N 2.92Å; V73-R75 VanDerWaalsContact C-N 3.33Å; V73-R75 PolarHBondContact O-N 2.96Å; V73-N76 PolarHBondContact O-N 2.77Å; V73-M79 HydrophobicContact CG1-CB 4.46Å; V73-I88 HydrophobicContact CB-CD1 3.78Å; V73-I88 HydrophobicContact CG1-CD1 3.92Å; V73-I88 HydrophobicContact CG2-CD1 3.81Å |
| 74 | C | 81.1 | Confident | 81.2 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 51% | 0.514 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 176.5 | -73.1 | 0 | 0 | 0 | 0 | 113 | M70 I71 | M70-C74 WeakPolarHBondContact O-CB 3.38Å; M70-C74 PolarHBondContact O-N 3.34Å; M70-C74 PolarHBondContact O-SG 2.97Å; I71-C74 PolarHBondContact O-N 2.87Å |
| 75 | R | 82.9 | Confident | 80.8 | Confident | 202 Ų | 202 | 89.3 Ų | 89.3 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -76.1 | -34.7 | 179.1 | -171.3 | 174.9 | 67.4 | -169 | 0.3 | 112.3 | I71 S72 V73 M77 | I71-R75 WeakPolarHBondContact O-CB 3.5Å; I71-R75 PolarHBondContact O-N 3.11Å; S72-R75 PolarHBondContact O-N 2.94Å; V73-R75 VanDerWaalsContact C-N 3.33Å; V73-R75 PolarHBondContact O-N 2.96Å; R75-M77 PolarHBondContact O-N 3.33Å |
| 76 | N | 76.4 | Confident | 80.7 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 32% | 0.316 | 45% | 0.453 | S | S | . | . | trans | -83.2 | 102.6 | -175.3 | -168.6 | 10.3 | 0 | 0 | 0 | 111.6 | S72 V73 I78 M79 | S72-N76 WeakPolarHBondContact O-CB 3.37Å; S72-N76 PolarHBondContact O-N 3.34Å; V73-N76 PolarHBondContact O-N 2.77Å; N76-I78 PolarHBondContact O-N 3.17Å; N76-I78 PolarHBondContact OD1-N 3.22Å; N76-M79 HydrophobicContact CB-CB 4.41Å; N76-M79 PolarHBondContact O-N 3.14Å | ||
| 77 | M | 66.7 | Low | 80.6 | Confident | 138 Ų | 138 | 95.2 Ų | 95.2 | 68% | 0.68 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -55.3 | -26.5 | 178.3 | -70.9 | -108.8 | -90.2 | 0 | 0 | 113.7 | R75 M79 K80 | R75-M77 PolarHBondContact O-N 3.33Å; M77-M79 VanDerWaalsContact C-N 3.35Å; M77-K80 WeakPolarHBondContact O-CG 3.33Å; M77-K80 PolarHBondContact SD-NZ 3.44Å |
| 78 | I | 66.4 | Low | 80.5 | Confident | 149 Ų | 149 | 91.6 Ų | 91.6 | 76% | 0.764 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -73.3 | -28.2 | 179.9 | -62.8 | 164.2 | 0 | 0 | 0 | 111.4 | N76 K80 | N76-I78 PolarHBondContact O-N 3.17Å; N76-I78 PolarHBondContact OD1-N 3.22Å; I78-K80 VanDerWaalsContact C-N 3.31Å; I78-K80 PolarHBondContact O-N 3.38Å |
| 79 | M | 63 | Low | 80.4 | Confident | 64 Ų | 64 | 91.9 Ų | 91.9 | 32% | 0.315 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -93.1 | 23.6 | -178.9 | -69.9 | -159.7 | 173.3 | 0 | 0 | 113.7 | V73 N76 M77 H81 Y84 | V73-M79 HydrophobicContact CG1-CB 4.46Å; N76-M79 HydrophobicContact CB-CB 4.41Å; N76-M79 PolarHBondContact O-N 3.14Å; M77-M79 VanDerWaalsContact C-N 3.35Å; M79-H81 PolarHBondContact O-N 3.49Å; M79-H81 VanDerWaalsContact O-N 3.08Å; M79-Y84 HydrophobicContact CB-CD2 3.77Å; M79-Y84 HydrophobicContact CB-CE2 3.81Å; M79-Y84 HydrophobicContact CB-CG 4.22Å; M79-Y84 HydrophobicContact CE-CE1 4.25Å; M79-Y84 HydrophobicContact CG-CD2 4.24Å; M79-Y84 HydrophobicContact CG-CE1 4.37Å; M79-Y84 HydrophobicContact CG-CE2 3.79Å; M79-Y84 WeakPolarHBondContact O-CD2 3.46Å; M79-Y84 HydrophobicContact SD-CD1 4.19Å; M79-Y84 HydrophobicContact SD-CE1 3.76Å; M79-Y84 HydrophobicContact SD-CE2 4.27Å |
| 80 | K | 65.1 | Low | 80.6 | Confident | 119 Ų | 119 | 92.1 Ų | 92.1 | 52% | 0.517 | 46% | 0.456 | S | S | . | . | trans | -70 | 2.4 | 175.4 | -76.1 | -179.3 | 174.2 | -178 | 0 | 114.6 | M77 I78 T82 | M77-K80 WeakPolarHBondContact O-CG 3.33Å; M77-K80 PolarHBondContact SD-NZ 3.44Å; I78-K80 VanDerWaalsContact C-N 3.31Å; I78-K80 PolarHBondContact O-N 3.38Å; K80-T82 PolarHBondContact O-N 2.9Å | ||
| 81 | H | 73.3 | Confident | 80.6 | Confident | 116 Ų | 116 | 89.9 Ų | 89.9 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | trans | -61.9 | 131.5 | 175.3 | -161.8 | -90.1 | 0 | 0 | 0 | 110 | M79 T83 Y84 | M79-H81 PolarHBondContact O-N 3.49Å; M79-H81 VanDerWaalsContact O-N 3.08Å; H81-T83 PolarHBondContact CE1-OG1 2.99Å; H81-T83 WeakPolarHBondContact ND1-CB 3.37Å; H81-T83 PolarHBondContact ND1-N 2.9Å; H81-T83 PolarHBondContact ND1-OG1 3.25Å; H81-T83 PolarHBondContact O-N 3.4Å; H81-Y84 HydrophobicContact CB-CD2 3.9Å; H81-Y84 HydrophobicContact CB-CE2 4.05Å; H81-Y84 PolarHBondContact O-N 3.43Å | ||
| 82 | T | 77.2 | Confident | 80.7 | Confident | 107 Ų | 107 | 88.8 Ų | 88.8 | 66% | 0.656 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -52.7 | -29.2 | -177.2 | 48.7 | 0 | 0 | 0 | 0 | 113 | K80 Y84 Y85 Y86 | K80-T82 PolarHBondContact O-N 2.9Å; T82-Y84 VanDerWaalsContact C-N 3.31Å; T82-Y84 PolarHBondContact O-N 3.25Å; T82-Y85 PolarHBondContact O-N 3.46Å; T82-Y86 PolarHBondContact O-N 3.22Å |
| 83 | T | 84 | Confident | 81 | Confident | 67 Ų | 67 | 90 Ų | 90 | 41% | 0.411 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56.4 | -37.8 | 174.3 | -52.4 | 0 | 0 | 0 | 0 | 113.6 | H81 Y86 I87 | H81-T83 PolarHBondContact CE1-OG1 2.99Å; H81-T83 WeakPolarHBondContact ND1-CB 3.37Å; H81-T83 PolarHBondContact ND1-N 2.9Å; H81-T83 PolarHBondContact ND1-OG1 3.25Å; H81-T83 PolarHBondContact O-N 3.4Å; T83-Y86 WeakPolarHBondContact O-CB 3.24Å; T83-Y86 PolarHBondContact O-N 3.03Å; T83-I87 HydrophobicContact CG2-CD1 4Å; T83-I87 HydrophobicContact CG2-CG1 4.41Å; T83-I87 VanDerWaalsContact O-CG1 3.32Å; T83-I87 WeakPolarHBondContact O-CG1 3.25Å; T83-I87 PolarHBondContact O-N 3.48Å |
| 84 | Y | 83.6 | Confident | 81.3 | Confident | 88 Ų | 88 | 93.6 Ų | 93.6 | 35% | 0.345 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 179.5 | -67.5 | -71 | 0 | 0 | 0 | 111.3 | M79 H81 T82 Y86 I87 I88 | M79-Y84 HydrophobicContact CB-CD2 3.77Å; M79-Y84 HydrophobicContact CB-CE2 3.81Å; M79-Y84 HydrophobicContact CB-CG 4.22Å; M79-Y84 HydrophobicContact CE-CE1 4.25Å; M79-Y84 HydrophobicContact CG-CD2 4.24Å; M79-Y84 HydrophobicContact CG-CE1 4.37Å; M79-Y84 HydrophobicContact CG-CE2 3.79Å; M79-Y84 WeakPolarHBondContact O-CD2 3.46Å; M79-Y84 HydrophobicContact SD-CD1 4.19Å; M79-Y84 HydrophobicContact SD-CE1 3.76Å; M79-Y84 HydrophobicContact SD-CE2 4.27Å; H81-Y84 HydrophobicContact CB-CD2 3.9Å; H81-Y84 HydrophobicContact CB-CE2 4.05Å; H81-Y84 PolarHBondContact O-N 3.43Å; T82-Y84 VanDerWaalsContact C-N 3.31Å; T82-Y84 PolarHBondContact O-N 3.25Å; Y84-Y86 VanDerWaalsContact C-N 3.28Å; Y84-Y86 PolarHBondContact O-N 3.34Å; Y84-I87 PolarHBondContact O-N 2.71Å; Y84-I88 WeakPolarHBondContact O-CD1 2.84Å; Y84-I88 VanDerWaalsContact O-CG1 3.22Å; Y84-I88 WeakPolarHBondContact O-CG1 3.39Å; Y84-I88 PolarHBondContact O-N 3.28Å |
| 85 | Y | 84.3 | Confident | 81.5 | Confident | 99 Ų | 99 | 91.2 Ų | 91.2 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 172.7 | -66 | -72.9 | 0 | 0 | 0 | 112 | T82 I88 S89 | T82-Y85 PolarHBondContact O-N 3.46Å; Y85-I88 PolarHBondContact O-N 2.75Å; Y85-S89 WeakPolarHBondContact O-CB 3.41Å; Y85-S89 PolarHBondContact O-N 3.35Å |
| 86 | Y | 88 | Confident | 81.8 | Confident | 156 Ų | 156 | 85 Ų | 85 | 61% | 0.612 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 174.7 | -177.6 | -97.1 | 0 | 0 | 0 | 112.3 | T82 T83 Y84 I88 S89 I90 | T82-Y86 PolarHBondContact O-N 3.22Å; T83-Y86 WeakPolarHBondContact O-CB 3.24Å; T83-Y86 PolarHBondContact O-N 3.03Å; Y84-Y86 VanDerWaalsContact C-N 3.28Å; Y84-Y86 PolarHBondContact O-N 3.34Å; Y86-I88 VanDerWaalsContact C-N 3.26Å; Y86-I88 PolarHBondContact O-N 2.89Å; Y86-S89 PolarHBondContact O-N 3.01Å; Y86-I90 HydrophobicContact CE1-CD1 4.46Å; Y86-I90 WeakPolarHBondContact O-CG2 3.47Å; Y86-I90 PolarHBondContact O-N 3.27Å |
| 87 | I | 87.2 | Confident | 82.3 | Confident | 96 Ų | 96 | 87.6 Ų | 87.6 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 177 | -68.2 | 164.8 | 0 | 0 | 0 | 110.7 | T83 Y84 I90 G91 | T83-I87 HydrophobicContact CG2-CD1 4Å; T83-I87 HydrophobicContact CG2-CG1 4.41Å; T83-I87 VanDerWaalsContact O-CG1 3.32Å; T83-I87 WeakPolarHBondContact O-CG1 3.25Å; T83-I87 PolarHBondContact O-N 3.48Å; Y84-I87 PolarHBondContact O-N 2.71Å; I87-I90 WeakPolarHBondContact O-CG2 3.5Å; I87-G91 PolarHBondContact O-N 2.91Å |
| 88 | I | 87.4 | Confident | 83.1 | Confident | 5 Ų | 5 | 83.6 Ų | 83.6 | 3% | 0.026 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -72.2 | -37.8 | 179.8 | -58.9 | 161.5 | 0 | 0 | 0 | 111.8 | H66 I69 M70 V73 Y84 Y85 Y86 G91 F92 | H66-I88 PolarHBondContact CE1-O 3.46Å; H66-I88 VanDerWaalsContact CE1-O 3.3Å; H66-I88 PolarHBondContact NE2-O 2.94Å; I69-I88 HydrophobicContact CG2-CG1 4.33Å; M70-I88 HydrophobicContact CE-CB 4.36Å; M70-I88 HydrophobicContact CE-CG2 3.44Å; M70-I88 VanDerWaalsContact CE-CG2 3.44Å; M70-I88 HydrophobicContact CG-CG2 3.44Å; M70-I88 VanDerWaalsContact CG-CG2 3.44Å; M70-I88 HydrophobicContact SD-CB 3.99Å; M70-I88 HydrophobicContact SD-CD1 3.86Å; M70-I88 HydrophobicContact SD-CG1 4.42Å; M70-I88 HydrophobicContact SD-CG2 3.18Å; M70-I88 WeakPolarHBondContact SD-CG2 3.45Å; V73-I88 HydrophobicContact CB-CD1 3.78Å; V73-I88 HydrophobicContact CG1-CD1 3.92Å; V73-I88 HydrophobicContact CG2-CD1 3.81Å; Y84-I88 WeakPolarHBondContact O-CD1 2.84Å; Y84-I88 VanDerWaalsContact O-CG1 3.22Å; Y84-I88 WeakPolarHBondContact O-CG1 3.39Å; Y84-I88 PolarHBondContact O-N 3.28Å; Y85-I88 PolarHBondContact O-N 2.75Å; Y86-I88 VanDerWaalsContact C-N 3.26Å; Y86-I88 PolarHBondContact O-N 2.89Å; I88-G91 PolarHBondContact O-N 3.37Å; I88-F92 WeakPolarHBondContact O-CB 3.33Å; I88-F92 PolarHBondContact O-N 2.8Å |
| 89 | S | 89.7 | Confident | 83.9 | Confident | 66 Ų | 66 | 80 Ų | 80 | 46% | 0.462 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | Y85 Y86 G91 F92 V93 | Y85-S89 WeakPolarHBondContact O-CB 3.41Å; Y85-S89 PolarHBondContact O-N 3.35Å; Y86-S89 PolarHBondContact O-N 3.01Å; S89-G91 VanDerWaalsContact C-N 3.33Å; S89-G91 PolarHBondContact O-N 2.87Å; S89-F92 WeakPolarHBondContact O-CB 3.32Å; S89-F92 PolarHBondContact O-N 2.99Å; S89-F92 VanDerWaalsContact O-N 3.17Å; S89-V93 WeakPolarHBondContact O-CG2 3.42Å; S89-V93 PolarHBondContact O-N 2.9Å |
| 90 | I | 91 | Very high | 84.9 | Confident | 83 Ų | 83 | 81.9 Ų | 81.9 | 43% | 0.426 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 176.7 | -164.3 | 162.2 | 0 | 0 | 0 | 111.4 | Y86 I87 F92 V93 V94 | Y86-I90 HydrophobicContact CE1-CD1 4.46Å; Y86-I90 WeakPolarHBondContact O-CG2 3.47Å; Y86-I90 PolarHBondContact O-N 3.27Å; I87-I90 WeakPolarHBondContact O-CG2 3.5Å; I90-F92 VanDerWaalsContact C-N 3.31Å; I90-F92 PolarHBondContact O-N 3.37Å; I90-V93 PolarHBondContact O-N 3.45Å; I90-V94 WeakPolarHBondContact O-CG2 3.16Å; I90-V94 PolarHBondContact O-N 3.48Å |
| 91 | G | 88.6 | Confident | 85.7 | Confident | 21 Ų | 21 | 79.7 Ų | 79.7 | 22% | 0.216 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I87 I88 S89 V93 V94 M95 | I87-G91 PolarHBondContact O-N 2.91Å; I88-G91 PolarHBondContact O-N 3.37Å; S89-G91 VanDerWaalsContact C-N 3.33Å; S89-G91 PolarHBondContact O-N 2.87Å; G91-V93 PolarHBondContact O-N 2.81Å; G91-V94 PolarHBondContact O-N 3.31Å; G91-M95 WeakPolarHBondContact O-CG 3.37Å; G91-M95 PolarHBondContact O-N 3.49Å |
| 92 | F | 89.7 | Confident | 85.8 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 36% | 0.36 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.9 | 179.7 | -100.1 | 0 | 0 | 0 | 112.2 | W63 H66 I88 S89 I90 M95 L96 | W63-F92 HydrophobicContact CH2-CD2 4.27Å; W63-F92 AromaticContact CH2-CE2 3.61Å; W63-F92 HydrophobicContact CH2-CE2 3.61Å; W63-F92 HydrophobicContact CH2-CZ 4.36Å; W63-F92 HydrophobicContact CZ3-CD2 4.39Å; W63-F92 AromaticContact CZ3-CE2 3.8Å; W63-F92 HydrophobicContact CZ3-CE2 3.8Å; H66-F92 PolarHBondContact NE2-N 2.93Å; I88-F92 WeakPolarHBondContact O-CB 3.33Å; I88-F92 PolarHBondContact O-N 2.8Å; S89-F92 WeakPolarHBondContact O-CB 3.32Å; S89-F92 PolarHBondContact O-N 2.99Å; S89-F92 VanDerWaalsContact O-N 3.17Å; I90-F92 VanDerWaalsContact C-N 3.31Å; I90-F92 PolarHBondContact O-N 3.37Å; F92-M95 PolarHBondContact O-N 3.3Å; F92-L96 HydrophobicContact CE1-CD1 4Å; F92-L96 HydrophobicContact CZ-CD1 4.03Å; F92-L96 WeakPolarHBondContact O-CB 3.44Å; F92-L96 PolarHBondContact O-N 2.86Å |
| 93 | V | 91.9 | Very high | 85.8 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | S89 I90 G91 M95 L96 H97 | S89-V93 WeakPolarHBondContact O-CG2 3.42Å; S89-V93 PolarHBondContact O-N 2.9Å; I90-V93 PolarHBondContact O-N 3.45Å; G91-V93 PolarHBondContact O-N 2.81Å; V93-M95 VanDerWaalsContact C-N 3.31Å; V93-M95 PolarHBondContact O-N 3.24Å; V93-L96 PolarHBondContact O-N 2.86Å; V93-H97 WeakPolarHBondContact O-CB 3.43Å; V93-H97 PolarHBondContact O-N 2.76Å |
| 94 | V | 89 | Confident | 85.6 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 53% | 0.527 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | I90 G91 S98 | I90-V94 WeakPolarHBondContact O-CG2 3.16Å; I90-V94 PolarHBondContact O-N 3.48Å; G91-V94 PolarHBondContact O-N 3.31Å; V94-S98 PolarHBondContact O-N 3.43Å; V94-S98 VanDerWaalsContact O-N 3.09Å; V94-S98 PolarHBondContact O-OG 2.96Å |
| 95 | M | 87.3 | Confident | 85.3 | Confident | 25 Ų | 25 | 76 Ų | 76 | 12% | 0.123 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 176.6 | -69.4 | 176.2 | 72.8 | 0 | 0 | 112.1 | W63 H66 G91 F92 V93 H97 S98 L99 | W63-M95 VanDerWaalsContact CA-CE 3.5Å; W63-M95 HydrophobicContact CB-CE 4.14Å; W63-M95 VanDerWaalsContact CD1-CE 3.42Å; W63-M95 HydrophobicContact CD2-CE 3.97Å; W63-M95 HydrophobicContact CG-CE 3.61Å; H66-M95 HydrophobicContact CB-CE 3.98Å; H66-M95 HydrophobicContact CB-SD 3.62Å; H66-M95 VanDerWaalsContact CG-SD 3.53Å; G91-M95 WeakPolarHBondContact O-CG 3.37Å; G91-M95 PolarHBondContact O-N 3.49Å; F92-M95 PolarHBondContact O-N 3.3Å; V93-M95 VanDerWaalsContact C-N 3.31Å; V93-M95 PolarHBondContact O-N 3.24Å; M95-H97 VanDerWaalsContact C-N 3.35Å; M95-S98 PolarHBondContact O-N 2.64Å; M95-L99 WeakPolarHBondContact O-CB 3.3Å; M95-L99 PolarHBondContact O-N 2.99Å |
| 96 | L | 87.6 | Confident | 85 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.7 | -169.7 | 131.8 | 0 | 0 | 0 | 111.5 | F92 V93 S98 L99 L100 | F92-L96 HydrophobicContact CE1-CD1 4Å; F92-L96 HydrophobicContact CZ-CD1 4.03Å; F92-L96 WeakPolarHBondContact O-CB 3.44Å; F92-L96 PolarHBondContact O-N 2.86Å; V93-L96 PolarHBondContact O-N 2.86Å; L96-S98 VanDerWaalsContact C-N 3.32Å; L96-S98 PolarHBondContact O-N 3.21Å; L96-L99 PolarHBondContact O-N 3.24Å; L96-L100 HydrophobicContact CD2-CD1 3.79Å; L96-L100 HydrophobicContact CG-CD1 4.49Å; L96-L100 WeakPolarHBondContact O-CG 3.31Å; L96-L100 PolarHBondContact O-N 3.24Å |
| 97 | H | 87.6 | Confident | 84.5 | Confident | 114 Ų | 114 | 71 Ų | 71 | 53% | 0.528 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 173.1 | -179.6 | -103 | 0 | 0 | 0 | 111.9 | V93 M95 L100 N101 | V93-H97 WeakPolarHBondContact O-CB 3.43Å; V93-H97 PolarHBondContact O-N 2.76Å; M95-H97 VanDerWaalsContact C-N 3.35Å; H97-L100 PolarHBondContact O-N 2.75Å; H97-N101 PolarHBondContact CE1-ND2 3.39Å; H97-N101 PolarHBondContact ND1-ND2 2.94Å; H97-N101 PolarHBondContact NE2-ND2 2.91Å; H97-N101 PolarHBondContact O-N 3.22Å; H97-N101 VanDerWaalsContact O-N 3.08Å |
| 98 | S | 84.3 | Confident | 84.2 | Confident | 54 Ų | 54 | 69.7 Ų | 69.7 | 38% | 0.378 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | V94 M95 L96 L100 N101 F102 | V94-S98 PolarHBondContact O-N 3.43Å; V94-S98 VanDerWaalsContact O-N 3.09Å; V94-S98 PolarHBondContact O-OG 2.96Å; M95-S98 PolarHBondContact O-N 2.64Å; L96-S98 VanDerWaalsContact C-N 3.32Å; L96-S98 PolarHBondContact O-N 3.21Å; S98-L100 VanDerWaalsContact C-N 3.28Å; S98-L100 PolarHBondContact O-N 3.3Å; S98-N101 PolarHBondContact O-N 3.03Å; S98-F102 PolarHBondContact O-N 3.14Å; S98-F102 VanDerWaalsContact O-N 3.15Å |
| 99 | L | 83.2 | Confident | 83.8 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 38% | 0.382 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -33.3 | 177.3 | -177.1 | 66.8 | 0 | 0 | 0 | 112.4 | M59 W63 M95 L96 P103 | M59-L99 HydrophobicContact CE-CB 4.27Å; M59-L99 HydrophobicContact CE-CD1 4.19Å; M59-L99 HydrophobicContact CG-CD1 4.01Å; M59-L99 HydrophobicContact SD-CB 4.36Å; M59-L99 HydrophobicContact SD-CD1 4.13Å; W63-L99 HydrophobicContact CZ2-CD2 3.85Å; M95-L99 WeakPolarHBondContact O-CB 3.3Å; M95-L99 PolarHBondContact O-N 2.99Å; L96-L99 PolarHBondContact O-N 3.24Å; L99-P103 WeakPolarHBondContact O-CD 3.47Å; L99-P103 VanDerWaalsContact O-CG 3.24Å; L99-P103 WeakPolarHBondContact O-CG 3.48Å |
| 100 | L | 83.5 | Confident | 83.3 | Confident | 104 Ų | 104 | 75.4 Ų | 75.4 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -81.2 | -37.9 | 177.9 | -68.1 | 174.7 | 0 | 0 | 0 | 112.3 | L96 H97 S98 P103 V104 | L96-L100 HydrophobicContact CD2-CD1 3.79Å; L96-L100 HydrophobicContact CG-CD1 4.49Å; L96-L100 WeakPolarHBondContact O-CG 3.31Å; L96-L100 PolarHBondContact O-N 3.24Å; H97-L100 PolarHBondContact O-N 2.75Å; S98-L100 VanDerWaalsContact C-N 3.28Å; S98-L100 PolarHBondContact O-N 3.3Å; L100-P103 WeakPolarHBondContact O-CD 3.37Å; L100-P103 WeakPolarHBondContact O-CG 3.2Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.33Å |
| 101 | N | 80.5 | Confident | 82.9 | Confident | 73 Ų | 73 | 76.1 Ų | 76.1 | 39% | 0.39 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.9 | -34.4 | -178.6 | -73.4 | -13.2 | 0 | 0 | 0 | 113.1 | H97 S98 V104 N105 | H97-N101 PolarHBondContact CE1-ND2 3.39Å; H97-N101 PolarHBondContact ND1-ND2 2.94Å; H97-N101 PolarHBondContact NE2-ND2 2.91Å; H97-N101 PolarHBondContact O-N 3.22Å; H97-N101 VanDerWaalsContact O-N 3.08Å; S98-N101 PolarHBondContact O-N 3.03Å; N101-V104 PolarHBondContact O-N 3.32Å; N101-N105 PolarHBondContact O-N 3.48Å; N101-N105 VanDerWaalsContact O-N 3.14Å; N101-N105 PolarHBondContact O-OD1 2.75Å |
| 102 | F | 77 | Confident | 82.5 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 21% | 0.206 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.4 | -53.7 | -178.4 | -178.7 | -112.8 | 0 | 0 | 0 | 114.9 | V55 L56 S98 V104 N105 I106 | V55-F102 HydrophobicContact CB-CD2 4.28Å; V55-F102 HydrophobicContact CB-CE1 3.97Å; V55-F102 HydrophobicContact CB-CE2 3.56Å; V55-F102 HydrophobicContact CB-CZ 3.35Å; V55-F102 HydrophobicContact CG1-CD1 3.83Å; V55-F102 HydrophobicContact CG1-CD2 3.49Å; V55-F102 VanDerWaalsContact CG1-CD2 3.49Å; V55-F102 HydrophobicContact CG1-CE1 3.61Å; V55-F102 HydrophobicContact CG1-CE2 3.28Å; V55-F102 HydrophobicContact CG1-CG 3.76Å; V55-F102 HydrophobicContact CG1-CZ 3.33Å; V55-F102 HydrophobicContact CG2-CE2 3.76Å; V55-F102 HydrophobicContact CG2-CZ 3.99Å; L56-F102 HydrophobicContact CD2-CE1 4.24Å; L56-F102 HydrophobicContact CG-CE1 4.38Å; S98-F102 PolarHBondContact O-N 3.14Å; S98-F102 VanDerWaalsContact O-N 3.15Å; F102-V104 VanDerWaalsContact C-N 3.28Å; F102-V104 PolarHBondContact O-N 3.49Å; F102-N105 PolarHBondContact O-N 2.96Å; F102-I106 HydrophobicContact CD1-CD1 3.78Å; F102-I106 HydrophobicContact CD2-CD1 4.39Å; F102-I106 HydrophobicContact CE1-CD1 3.23Å; F102-I106 HydrophobicContact CE1-CG1 4.36Å; F102-I106 HydrophobicContact CE2-CD1 3.89Å; F102-I106 HydrophobicContact CE2-CG1 4.21Å; F102-I106 HydrophobicContact CG-CD1 4.34Å; F102-I106 HydrophobicContact CZ-CD1 3.29Å; F102-I106 HydrophobicContact CZ-CG1 4.05Å; F102-I106 PolarHBondContact O-N 3.44Å |
| 103 | P | 77.1 | Confident | 82 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -33.2 | 178.5 | 25.3 | -33.7 | 0 | 0 | 0 | 112 | L99 L100 N105 I106 I107 | L99-P103 WeakPolarHBondContact O-CD 3.47Å; L99-P103 VanDerWaalsContact O-CG 3.24Å; L99-P103 WeakPolarHBondContact O-CG 3.48Å; L100-P103 WeakPolarHBondContact O-CD 3.37Å; L100-P103 WeakPolarHBondContact O-CG 3.2Å; P103-N105 VanDerWaalsContact C-N 3.32Å; P103-N105 PolarHBondContact O-N 3.13Å; P103-I106 PolarHBondContact O-N 2.88Å; P103-I107 WeakPolarHBondContact O-CB 3.18Å; P103-I107 WeakPolarHBondContact O-CD1 3.18Å; P103-I107 WeakPolarHBondContact O-CG1 3.43Å; P103-I107 PolarHBondContact O-N 2.91Å |
| 104 | V | 79.2 | Confident | 81.4 | Confident | 88 Ų | 88 | 81.5 Ų | 81.5 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L100 N101 F102 I107 S108 | L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.33Å; N101-V104 PolarHBondContact O-N 3.32Å; F102-V104 VanDerWaalsContact C-N 3.28Å; F102-V104 PolarHBondContact O-N 3.49Å; V104-I107 PolarHBondContact O-N 3.33Å; V104-S108 WeakPolarHBondContact O-CB 3.34Å; V104-S108 PolarHBondContact O-N 2.84Å |
| 105 | N | 77.6 | Confident | 80.9 | Confident | 112 Ų | 112 | 80.1 Ų | 80.1 | 60% | 0.599 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65 | -41 | 176.9 | -73.9 | 13.8 | 0 | 0 | 0 | 112.3 | N101 F102 P103 S108 D109 | N101-N105 PolarHBondContact O-N 3.48Å; N101-N105 VanDerWaalsContact O-N 3.14Å; N101-N105 PolarHBondContact O-OD1 2.75Å; F102-N105 PolarHBondContact O-N 2.96Å; P103-N105 VanDerWaalsContact C-N 3.32Å; P103-N105 PolarHBondContact O-N 3.13Å; N105-S108 PolarHBondContact O-N 3.04Å; N105-D109 PolarHBondContact O-N 3.11Å |
| 106 | I | 77.7 | Confident | 80.6 | Confident | 50 Ų | 50 | 82.8 Ų | 82.8 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.1 | -63.8 | 162.4 | 0 | 0 | 0 | 111.1 | I52 F102 P103 S108 D109 L110 | I52-I106 HydrophobicContact CD1-CD1 4.49Å; I52-I106 HydrophobicContact CD1-CG2 4.14Å; I52-I106 HydrophobicContact CG1-CD1 4.12Å; I52-I106 HydrophobicContact CG1-CG1 4.34Å; I52-I106 HydrophobicContact CG2-CD1 4.49Å; F102-I106 HydrophobicContact CD1-CD1 3.78Å; F102-I106 HydrophobicContact CD2-CD1 4.39Å; F102-I106 HydrophobicContact CE1-CD1 3.23Å; F102-I106 HydrophobicContact CE1-CG1 4.36Å; F102-I106 HydrophobicContact CE2-CD1 3.89Å; F102-I106 HydrophobicContact CE2-CG1 4.21Å; F102-I106 HydrophobicContact CG-CD1 4.34Å; F102-I106 HydrophobicContact CZ-CD1 3.29Å; F102-I106 HydrophobicContact CZ-CG1 4.05Å; F102-I106 PolarHBondContact O-N 3.44Å; P103-I106 PolarHBondContact O-N 2.88Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 3.46Å; I106-D109 PolarHBondContact O-N 3.13Å; I106-L110 WeakPolarHBondContact O-CB 3.27Å; I106-L110 PolarHBondContact O-N 2.79Å |
| 107 | I | 78.2 | Confident | 80.3 | Confident | 98 Ų | 98 | 85.2 Ų | 85.2 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 178.6 | -68.7 | 161.7 | 0 | 0 | 0 | 109.9 | P103 V104 L110 I111 | P103-I107 WeakPolarHBondContact O-CB 3.18Å; P103-I107 WeakPolarHBondContact O-CD1 3.18Å; P103-I107 WeakPolarHBondContact O-CG1 3.43Å; P103-I107 PolarHBondContact O-N 2.91Å; V104-I107 PolarHBondContact O-N 3.33Å; I107-L110 PolarHBondContact O-N 2.63Å; I107-I111 HydrophobicContact CG2-CD1 3.67Å; I107-I111 HydrophobicContact CG2-CG1 4.36Å; I107-I111 WeakPolarHBondContact O-CB 3.28Å; I107-I111 WeakPolarHBondContact O-CD1 2.93Å; I107-I111 WeakPolarHBondContact O-CG1 3.35Å; I107-I111 PolarHBondContact O-N 2.79Å |
| 108 | S | 79.7 | Confident | 79.9 | Confident | 69 Ų | 69 | 83.3 Ų | 83.3 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.4 | -171.4 | 0 | 0 | 0 | 0 | 112 | V104 N105 I106 I111 E112 | V104-S108 WeakPolarHBondContact O-CB 3.34Å; V104-S108 PolarHBondContact O-N 2.84Å; N105-S108 PolarHBondContact O-N 3.04Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 3.46Å; S108-I111 PolarHBondContact O-N 2.93Å; S108-E112 PolarHBondContact O-N 3.19Å |
| 109 | D | 78.8 | Confident | 79.8 | Confident | 71 Ų | 71 | 86.7 Ų | 86.7 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 178.9 | -168.4 | 33.1 | 0 | 0 | 0 | 111.3 | L48 N105 I106 I111 E112 V113 | L48-D109 VanDerWaalsContact CD1-OD2 3.31Å; L48-D109 WeakPolarHBondContact CD1-OD2 3.28Å; N105-D109 PolarHBondContact O-N 3.11Å; I106-D109 PolarHBondContact O-N 3.13Å; D109-I111 PolarHBondContact O-N 2.93Å; D109-E112 PolarHBondContact O-N 3.38Å; D109-V113 WeakPolarHBondContact O-CG2 3.48Å; D109-V113 PolarHBondContact O-N 3.47Å |
| 110 | L | 80.1 | Confident | 79.8 | Confident | 120 Ų | 120 | 88.9 Ų | 88.9 | 63% | 0.628 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 176.2 | -169.7 | 69.6 | 0 | 0 | 0 | 112.3 | I106 I107 E112 V113 F114 | I106-L110 WeakPolarHBondContact O-CB 3.27Å; I106-L110 PolarHBondContact O-N 2.79Å; I107-L110 PolarHBondContact O-N 2.63Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-V113 PolarHBondContact O-N 3.21Å; L110-F114 VanDerWaalsContact O-CB 3.27Å; L110-F114 WeakPolarHBondContact O-CB 3.47Å; L110-F114 PolarHBondContact O-N 2.69Å |
| 111 | I | 81.6 | Confident | 79.6 | Confident | 99 Ų | 99 | 90.8 Ų | 90.8 | 51% | 0.508 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 176.1 | -70.8 | 166.1 | 0 | 0 | 0 | 110.6 | I107 S108 D109 F114 S115 | I107-I111 HydrophobicContact CG2-CD1 3.67Å; I107-I111 HydrophobicContact CG2-CG1 4.36Å; I107-I111 WeakPolarHBondContact O-CB 3.28Å; I107-I111 WeakPolarHBondContact O-CD1 2.93Å; I107-I111 WeakPolarHBondContact O-CG1 3.35Å; I107-I111 PolarHBondContact O-N 2.79Å; S108-I111 PolarHBondContact O-N 2.93Å; D109-I111 PolarHBondContact O-N 2.93Å; I111-F114 PolarHBondContact O-N 3.46Å; I111-S115 VanDerWaalsContact O-CB 3.3Å; I111-S115 WeakPolarHBondContact O-CB 3.4Å; I111-S115 PolarHBondContact O-N 3.32Å; I111-S115 PolarHBondContact O-OG 3.5Å |
| 112 | E | 81 | Confident | 79.4 | Confident | 115 Ų | 115 | 93.5 Ų | 93.5 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -49.5 | 177.2 | -175.9 | 172.7 | 176 | 0 | 0 | 111.1 | S108 D109 L110 F114 S115 I116 | S108-E112 PolarHBondContact O-N 3.19Å; D109-E112 PolarHBondContact O-N 3.38Å; L110-E112 VanDerWaalsContact C-N 3.33Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 2.74Å; E112-S115 WeakPolarHBondContact O-CB 3.37Å; E112-S115 PolarHBondContact O-N 2.86Å; E112-I116 HydrophobicContact CG-CD1 4.08Å; E112-I116 WeakPolarHBondContact O-CG1 3.43Å; E112-I116 PolarHBondContact O-N 3.17Å |
| 113 | V | 80.1 | Confident | 79.4 | Confident | 61 Ų | 61 | 99.2 Ų | 99.2 | 37% | 0.37 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111 | D109 L110 S115 I116 Q117 | D109-V113 WeakPolarHBondContact O-CG2 3.48Å; D109-V113 PolarHBondContact O-N 3.47Å; L110-V113 PolarHBondContact O-N 3.21Å; V113-S115 PolarHBondContact O-N 2.97Å; V113-I116 PolarHBondContact O-N 2.97Å; V113-Q117 WeakPolarHBondContact O-CG 3.34Å; V113-Q117 PolarHBondContact O-N 2.94Å |
| 114 | F | 77.7 | Confident | 79.5 | Confident | 126 Ų | 126 | 102.4 Ų | 102.4 | 55% | 0.553 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 178.2 | -173.8 | -109.9 | 0 | 0 | 0 | 112.1 | L110 I111 E112 I116 Q117 I118 | L110-F114 VanDerWaalsContact O-CB 3.27Å; L110-F114 WeakPolarHBondContact O-CB 3.47Å; L110-F114 PolarHBondContact O-N 2.69Å; I111-F114 PolarHBondContact O-N 3.46Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 2.74Å; F114-I116 VanDerWaalsContact C-N 3.35Å; F114-I116 PolarHBondContact O-N 3Å; F114-Q117 PolarHBondContact O-N 3.02Å; F114-I118 HydrophobicContact CD1-CD1 3.61Å; F114-I118 HydrophobicContact CD1-CG1 4.45Å; F114-I118 HydrophobicContact CE1-CD1 3.19Å; F114-I118 HydrophobicContact CE1-CG1 4.17Å; F114-I118 HydrophobicContact CE2-CD1 4.43Å; F114-I118 HydrophobicContact CG-CD1 4.4Å; F114-I118 HydrophobicContact CZ-CD1 3.66Å; F114-I118 HydrophobicContact CZ-CG1 4.24Å; F114-I118 WeakPolarHBondContact O-CG1 3.3Å; F114-I118 PolarHBondContact O-N 3.4Å |
| 115 | S | 79 | Confident | 79.2 | Confident | 57 Ų | 57 | 102.3 Ų | 102.3 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | I111 E112 V113 I118 Q119 | I111-S115 VanDerWaalsContact O-CB 3.3Å; I111-S115 WeakPolarHBondContact O-CB 3.4Å; I111-S115 PolarHBondContact O-N 3.32Å; I111-S115 PolarHBondContact O-OG 3.5Å; E112-S115 WeakPolarHBondContact O-CB 3.37Å; E112-S115 PolarHBondContact O-N 2.86Å; V113-S115 PolarHBondContact O-N 2.97Å; S115-I118 PolarHBondContact O-N 2.99Å; S115-Q119 VanDerWaalsContact O-CG 3.32Å; S115-Q119 WeakPolarHBondContact O-CG 3.32Å; S115-Q119 PolarHBondContact O-N 2.93Å |
| 116 | I | 81.2 | Confident | 79.1 | Confident | 82 Ų | 82 | 103.1 Ų | 103.1 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 175.8 | -67.2 | 166.5 | 0 | 0 | 0 | 111 | E112 V113 F114 Q119 K120 | E112-I116 HydrophobicContact CG-CD1 4.08Å; E112-I116 WeakPolarHBondContact O-CG1 3.43Å; E112-I116 PolarHBondContact O-N 3.17Å; V113-I116 PolarHBondContact O-N 2.97Å; F114-I116 VanDerWaalsContact C-N 3.35Å; F114-I116 PolarHBondContact O-N 3Å; I116-Q119 PolarHBondContact O-N 3.4Å; I116-K120 HydrophobicContact CG2-CD 4.42Å; I116-K120 WeakPolarHBondContact O-CG 3.49Å; I116-K120 PolarHBondContact O-N 3.2Å |
| 117 | Q | 80.8 | Confident | 78.7 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 176.7 | -72.9 | -165.9 | 4.8 | 0 | 0 | 112.3 | V113 F114 Q119 K120 Y121 | V113-Q117 WeakPolarHBondContact O-CG 3.34Å; V113-Q117 PolarHBondContact O-N 2.94Å; F114-Q117 PolarHBondContact O-N 3.02Å; Q117-Q119 VanDerWaalsContact C-N 3.35Å; Q117-Q119 PolarHBondContact O-N 3.39Å; Q117-K120 PolarHBondContact O-N 3.06Å; Q117-Y121 PolarHBondContact O-N 3.09Å |
| 118 | I | 79.6 | Confident | 78.2 | Confident | 75 Ų | 75 | 105.2 Ų | 105.2 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 174.1 | -72.2 | 170 | 0 | 0 | 0 | 110.8 | F114 S115 K120 Y121 H122 | F114-I118 HydrophobicContact CD1-CD1 3.61Å; F114-I118 HydrophobicContact CD1-CG1 4.45Å; F114-I118 HydrophobicContact CE1-CD1 3.19Å; F114-I118 HydrophobicContact CE1-CG1 4.17Å; F114-I118 HydrophobicContact CE2-CD1 4.43Å; F114-I118 HydrophobicContact CG-CD1 4.4Å; F114-I118 HydrophobicContact CZ-CD1 3.66Å; F114-I118 HydrophobicContact CZ-CG1 4.24Å; F114-I118 WeakPolarHBondContact O-CG1 3.3Å; F114-I118 PolarHBondContact O-N 3.4Å; S115-I118 PolarHBondContact O-N 2.99Å; I118-K120 VanDerWaalsContact C-N 3.31Å; I118-K120 PolarHBondContact O-N 3.47Å; I118-Y121 PolarHBondContact O-N 3.44Å; I118-H122 PolarHBondContact O-N 3.36Å |
| 119 | Q | 82.4 | Confident | 77.8 | Confident | 124 Ų | 124 | 105.1 Ų | 105.1 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | 177.6 | -74.3 | -69.8 | -35.9 | 0 | 0 | 112.1 | S115 I116 Q117 R123 | S115-Q119 VanDerWaalsContact O-CG 3.32Å; S115-Q119 WeakPolarHBondContact O-CG 3.32Å; S115-Q119 PolarHBondContact O-N 2.93Å; I116-Q119 PolarHBondContact O-N 3.4Å; Q117-Q119 VanDerWaalsContact C-N 3.35Å; Q117-Q119 PolarHBondContact O-N 3.39Å; Q119-R123 PolarHBondContact O-N 3.24Å |
| 120 | K | 82.3 | Confident | 77.3 | Confident | 119 Ų | 119 | 111 Ų | 111 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 174.1 | -75.1 | 178.3 | 180 | -179.4 | 0 | 111.6 | I116 Q117 I118 R123 Q124 | I116-K120 HydrophobicContact CG2-CD 4.42Å; I116-K120 WeakPolarHBondContact O-CG 3.49Å; I116-K120 PolarHBondContact O-N 3.2Å; Q117-K120 PolarHBondContact O-N 3.06Å; I118-K120 VanDerWaalsContact C-N 3.31Å; I118-K120 PolarHBondContact O-N 3.47Å; K120-R123 PolarHBondContact O-N 2.87Å; K120-Q124 WeakPolarHBondContact O-CG 3.41Å; K120-Q124 PolarHBondContact O-N 2.95Å |
| 121 | Y | 79.7 | Confident | 76.9 | Confident | 144 Ų | 144 | 111.7 Ų | 111.7 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 178.1 | -175.6 | -99.6 | 0 | 0 | 0 | 112.1 | Q117 I118 R123 Q124 Q125 | Q117-Y121 PolarHBondContact O-N 3.09Å; I118-Y121 PolarHBondContact O-N 3.44Å; Y121-R123 VanDerWaalsContact C-N 3.33Å; Y121-R123 PolarHBondContact O-N 2.98Å; Y121-Q124 PolarHBondContact O-N 3.01Å; Y121-Q125 HydrophobicContact CD1-CG 4.19Å; Y121-Q125 HydrophobicContact CE1-CG 3.81Å; Y121-Q125 WeakPolarHBondContact O-CG 3.47Å; Y121-Q125 PolarHBondContact O-N 3.03Å; Y121-Q125 PolarHBondContact OH-NE2 3.01Å |
| 122 | H | 76.9 | Confident | 76.2 | Confident | 131 Ų | 131 | 114.9 Ų | 114.9 | 61% | 0.606 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.4 | -38.1 | 178 | -125.6 | -65.8 | 0 | 0 | 0 | 112.3 | I118 F126 | I118-H122 PolarHBondContact O-N 3.36Å; H122-F126 WeakPolarHBondContact O-CB 3.27Å; H122-F126 PolarHBondContact O-N 3.38Å |
| 123 | R | 77.7 | Confident | 75.9 | Confident | 166 Ų | 166 | 114.9 Ų | 114.9 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.9 | -40.6 | 173.3 | -84.4 | -156.7 | -69.7 | -137 | -1.9 | 112.8 | Q119 K120 Y121 F126 I127 | Q119-R123 PolarHBondContact O-N 3.24Å; K120-R123 PolarHBondContact O-N 2.87Å; Y121-R123 VanDerWaalsContact C-N 3.33Å; Y121-R123 PolarHBondContact O-N 2.98Å; R123-F126 PolarHBondContact O-N 3.2Å; R123-I127 WeakPolarHBondContact O-CD1 3.45Å; R123-I127 VanDerWaalsContact O-CG1 3.27Å; R123-I127 WeakPolarHBondContact O-CG1 3.43Å; R123-I127 PolarHBondContact O-N 3.41Å |
| 124 | Q | 78.5 | Confident | 75.7 | Confident | 121 Ų | 121 | 117.7 Ų | 117.7 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.9 | -44.5 | 177.1 | -73.8 | 176.5 | -9.5 | 0 | 0 | 111.6 | K120 Y121 F126 I127 I128 | K120-Q124 WeakPolarHBondContact O-CG 3.41Å; K120-Q124 PolarHBondContact O-N 2.95Å; Y121-Q124 PolarHBondContact O-N 3.01Å; Q124-F126 VanDerWaalsContact C-N 3.35Å; Q124-F126 PolarHBondContact O-N 3.32Å; Q124-I127 PolarHBondContact O-N 2.78Å; Q124-I128 VanDerWaalsContact O-CG1 3.32Å; Q124-I128 WeakPolarHBondContact O-CG1 3.32Å; Q124-I128 PolarHBondContact O-N 3.02Å |
| 125 | Q | 72.6 | Confident | 75.6 | Confident | 86 Ų | 86 | 117.2 Ų | 117.2 | 40% | 0.402 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.2 | -41.6 | 175 | -71.6 | -70.1 | -12.4 | 0 | 0 | 112.2 | Y121 I128 S129 | Y121-Q125 HydrophobicContact CD1-CG 4.19Å; Y121-Q125 HydrophobicContact CE1-CG 3.81Å; Y121-Q125 WeakPolarHBondContact O-CG 3.47Å; Y121-Q125 PolarHBondContact O-N 3.03Å; Y121-Q125 PolarHBondContact OH-NE2 3.01Å; Q125-I128 PolarHBondContact O-N 3.04Å; Q125-S129 PolarHBondContact O-N 3.3Å |
| 126 | F | 74.6 | Confident | 75.4 | Confident | 129 Ų | 129 | 120.8 Ų | 120.8 | 57% | 0.566 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64 | -41.1 | 176.8 | -174.8 | -100.6 | 0 | 0 | 0 | 112.6 | H122 R123 Q124 S129 R130 | H122-F126 WeakPolarHBondContact O-CB 3.27Å; H122-F126 PolarHBondContact O-N 3.38Å; R123-F126 PolarHBondContact O-N 3.2Å; Q124-F126 VanDerWaalsContact C-N 3.35Å; Q124-F126 PolarHBondContact O-N 3.32Å; F126-S129 PolarHBondContact O-N 3.31Å; F126-S129 PolarHBondContact O-OG 3.24Å; F126-R130 HydrophobicContact CE1-CG 4.36Å; F126-R130 HydrophobicContact CZ-CG 4.5Å; F126-R130 PolarHBondContact O-N 3.37Å |
| 127 | I | 71.1 | Confident | 75 | Confident | 95 Ų | 95 | 123.2 Ų | 123.2 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.4 | -47.7 | 175.7 | -67.3 | 162.4 | 0 | 0 | 0 | 110.4 | R123 Q124 S129 R130 D131 | R123-I127 WeakPolarHBondContact O-CD1 3.45Å; R123-I127 VanDerWaalsContact O-CG1 3.27Å; R123-I127 WeakPolarHBondContact O-CG1 3.43Å; R123-I127 PolarHBondContact O-N 3.41Å; Q124-I127 PolarHBondContact O-N 2.78Å; I127-S129 VanDerWaalsContact C-N 3.28Å; I127-S129 PolarHBondContact O-N 3.47Å; I127-R130 PolarHBondContact O-N 3Å; I127-D131 PolarHBondContact O-N 3.39Å |
| 128 | I | 67.6 | Low | 74.6 | Confident | 98 Ų | 98 | 123.3 Ų | 123.3 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.1 | -40.5 | 178.5 | -65.6 | 164.5 | 0 | 0 | 0 | 110.9 | Q124 Q125 R130 D131 T132 | Q124-I128 VanDerWaalsContact O-CG1 3.32Å; Q124-I128 WeakPolarHBondContact O-CG1 3.32Å; Q124-I128 PolarHBondContact O-N 3.02Å; Q125-I128 PolarHBondContact O-N 3.04Å; I128-R130 VanDerWaalsContact C-N 3.28Å; I128-R130 PolarHBondContact O-N 3.25Å; I128-D131 PolarHBondContact O-N 3.33Å; I128-T132 PolarHBondContact O-N 3.42Å |
| 129 | S | 70.7 | Confident | 74.3 | Confident | 67 Ų | 67 | 126.7 Ų | 126.7 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.9 | -18.4 | 177.8 | 73.1 | 0 | 0 | 0 | 0 | 115.1 | Q125 F126 I127 | Q125-S129 PolarHBondContact O-N 3.3Å; F126-S129 PolarHBondContact O-N 3.31Å; F126-S129 PolarHBondContact O-OG 3.24Å; I127-S129 VanDerWaalsContact C-N 3.28Å; I127-S129 PolarHBondContact O-N 3.47Å |
| 130 | R | 67.4 | Low | 73.7 | Confident | 193 Ų | 193 | 126.9 Ų | 126.9 | 73% | 0.728 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -85.1 | -22.4 | 173.8 | -83.3 | -170.5 | 72.7 | 163.1 | 2.7 | 113.2 | F126 I127 I128 | F126-R130 HydrophobicContact CE1-CG 4.36Å; F126-R130 HydrophobicContact CZ-CG 4.5Å; F126-R130 PolarHBondContact O-N 3.37Å; I127-R130 PolarHBondContact O-N 3Å; I128-R130 VanDerWaalsContact C-N 3.28Å; I128-R130 PolarHBondContact O-N 3.25Å |
| 131 | D | 71.8 | Confident | 72.9 | Confident | 136 Ų | 136 | 127.6 Ų | 127.6 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -93 | -7.8 | -177 | -65.3 | -19.9 | 0 | 0 | 0 | 112.7 | I127 I128 | I127-D131 PolarHBondContact O-N 3.39Å; I128-D131 PolarHBondContact O-N 3.33Å |
| 132 | T | 66.5 | Low | 72.3 | Confident | 165 Ų | 165 | 126.1 Ų | 126.1 | 100% | 1.012 | 61% | 0.608 | S | S | * | * | trans | -102.8 | 0 | 171.7 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | I128 | I128-T132 PolarHBondContact O-N 3.42Š|
Retrieved 132 of 132 residues in 311.6 ms
(Link to these results)