| 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 | 43.9 | Very low | 47.7 | Very low | 238 Ų | 238 | 157.2 Ų | 157.2 | 100% | 1.172 | 81% | 0.814 | S | S | * | * | 0 | 95.6 | 0 | -87.3 | 169.7 | 162.8 | 0 | 0 | 106.4 | E3 | M1-E3 PolarHBondContact O-N 3.46Š| |||
| 2 | D | 44.6 | Very low | 47.5 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -65.5 | 108.6 | 176.2 | -56.1 | -92.2 | 0 | 0 | 0 | 109.9 | F4 | D2-F4 PolarHBondContact O-N 3.07Š| ||
| 3 | E | 52.4 | Low | 47.8 | Very low | 198 Ų | 198 | 147 Ų | 147 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -97.2 | 81.6 | 172 | -148.6 | 162.1 | 114.1 | 0 | 0 | 110.3 | M1 S5 | M1-E3 PolarHBondContact O-N 3.46Å; E3-S5 PolarHBondContact O-N 3.36Å | ||
| 4 | F | 50.7 | Low | 47.6 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -9.4 | 110.6 | 151.2 | -147.8 | -103.4 | 0 | 0 | 0 | 116.6 | D2 | D2-F4 PolarHBondContact O-N 3.07Š| ||
| 5 | S | 51.8 | Low | 47.2 | Very low | 80 Ų | 80 | 145.6 Ų | 145.6 | 56% | 0.559 | 79% | 0.793 | S | S | * | * | trans | 25.7 | 97.1 | 136.4 | -175 | 0 | 0 | 0 | 0 | 117.7 | E3 | E3-S5 PolarHBondContact O-N 3.36Š| ||
| 6 | T | 45.8 | Very low | 47.2 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -108.3 | 80.8 | 149.9 | -50.2 | 0 | 0 | 0 | 0 | 108.7 | T8 | T6-T8 PolarHBondContact O-N 3.34Å; T6-T8 VanDerWaalsContact O-N 3.07Å | ||
| 7 | R | 48.4 | Very low | 47.6 | Very low | 213 Ų | 213 | 148.2 Ų | 148.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 98.6 | 161.1 | -82.4 | -178.8 | 166.2 | 153 | -2.9 | 107.4 | Y9 | R7-Y9 VanDerWaalsContact C-N 3.32Å; R7-Y9 PolarHBondContact O-N 3Å | ||
| 8 | T | 43.2 | Very low | 47.7 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -66.6 | 93.1 | 168.8 | -55.2 | 0 | 0 | 0 | 0 | 108.7 | T6 G10 | T6-T8 PolarHBondContact O-N 3.34Å; T6-T8 VanDerWaalsContact O-N 3.07Å; T8-G10 PolarHBondContact O-N 2.94Å | ||
| 9 | Y | 45.9 | Very low | 48.1 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -69.4 | 79.6 | 157.1 | -101.4 | -90.8 | 0 | 0 | 0 | 107.5 | R7 T11 | R7-Y9 VanDerWaalsContact C-N 3.32Å; R7-Y9 PolarHBondContact O-N 3Å; Y9-T11 PolarHBondContact O-N 2.91Å | ||
| 10 | G | 46 | Very low | 48.6 | Very low | 64 Ų | 64 | 147.3 Ų | 147.3 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | -74 | 80 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | T8 | T8-G10 PolarHBondContact O-N 2.94Š| ||
| 11 | T | 51.9 | Low | 48.6 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -87.7 | 91.6 | 162.7 | 159.5 | 0 | 0 | 0 | 0 | 108.5 | Y9 | Y9-T11 PolarHBondContact O-N 2.91Š| ||
| 12 | S | 45.8 | Very low | 48.7 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -170.3 | 101.9 | 161.2 | 38.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 13 | G | 50.8 | Low | 49.2 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 76.2 | 103.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 14 | L | 44.7 | Very low | 49.3 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | cis | -143.8 | 90.6 | 44.7 | -73 | 153.4 | 0 | 0 | 0 | 109.1 | N16 | L14-N16 PolarHBondContact O-N 2.86Š| ||
| 15 | D | 42.7 | Very low | 49.3 | Very low | 118 Ų | 118 | 124 Ų | 124 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | trans | -60 | 98.1 | 151.3 | -106.6 | -45.8 | 0 | 0 | 0 | 106.2 | R17 | D15-R17 HydrophobicContact CB-CB 4.28Å; D15-R17 PolarHBondContact O-N 2.95Å; D15-R17 VanDerWaalsContact OD1-CD 3.3Å; D15-R17 WeakPolarHBondContact OD1-CD 3.3Å; D15-R17 IonicContact OD1-NH1 2.76Å | ||
| 16 | N | 46.8 | Very low | 49.3 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -71.3 | 37.8 | 161.6 | -79 | -22.6 | 0 | 0 | 0 | 110.4 | L14 | L14-N16 PolarHBondContact O-N 2.86Š| ||
| 17 | R | 54.5 | Low | 49.7 | Very low | 187 Ų | 187 | 124.2 Ų | 124.2 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -104.6 | 103.7 | 169.8 | -66.5 | -174.4 | 158.5 | 142 | -12.7 | 104.7 | D15 L19 | D15-R17 HydrophobicContact CB-CB 4.28Å; D15-R17 PolarHBondContact O-N 2.95Å; D15-R17 VanDerWaalsContact OD1-CD 3.3Å; D15-R17 WeakPolarHBondContact OD1-CD 3.3Å; D15-R17 IonicContact OD1-NH1 2.76Å; R17-L19 PolarHBondContact O-N 3.03Å |
| 18 | P | 49.2 | Very low | 50.1 | Low | 83 Ų | 83 | 122.4 Ų | 122.4 | 54% | 0.539 | 67% | 0.671 | S | S | . | * | trans | -57.5 | 117.5 | -179 | 20.3 | -29.4 | 0 | 0 | 0 | 109.3 | E22 | P18-E22 HydrophobicContact CB-CB 3.94Å; P18-E22 HydrophobicContact CB-CG 3.94Å; P18-E22 WeakPolarHBondContact CB-OE2 3.48Å; P18-E22 HydrophobicContact CG-CB 4.08Å; P18-E22 HydrophobicContact CG-CG 4.47Å | ||
| 19 | L | 54.3 | Low | 51 | Low | 148 Ų | 148 | 121.5 Ų | 121.5 | 78% | 0.775 | 66% | 0.661 | S | S | * | * | trans | -80.9 | -18.4 | -166.9 | -160.1 | 68.7 | 0 | 0 | 0 | 113.1 | R17 | R17-L19 PolarHBondContact O-N 3.03Š| ||
| 20 | F | 57.8 | Low | 51.8 | Low | 194 Ų | 194 | 113.5 Ų | 113.5 | 85% | 0.851 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -154.5 | 127.6 | 170.9 | -73.4 | -80.4 | 0 | 0 | 0 | 109.5 | ||
| 21 | G | 49.1 | Very low | 52.4 | Low | 61 Ų | 61 | 115.4 Ų | 115.4 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | trans | 86.6 | 10.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | T23 | G21-T23 PolarHBondContact O-N 3.19Å; G21-T23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | E | 47.2 | Very low | 52.9 | Low | 152 Ų | 152 | 116.7 Ų | 116.7 | 71% | 0.71 | 63% | 0.626 | S | S | * | * | trans | -80.9 | 32.1 | 167.3 | -77.5 | -150.4 | 113.9 | 0 | 0 | 113.7 | P18 S24 | P18-E22 HydrophobicContact CB-CB 3.94Å; P18-E22 HydrophobicContact CB-CG 3.94Å; P18-E22 WeakPolarHBondContact CB-OE2 3.48Å; P18-E22 HydrophobicContact CG-CB 4.08Å; P18-E22 HydrophobicContact CG-CG 4.47Å; E22-S24 PolarHBondContact O-N 3.3Å | ||
| 23 | T | 55.2 | Low | 53.9 | Low | 109 Ų | 109 | 115.9 Ų | 115.9 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | trans | -78 | 7.6 | 164.3 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | G21 | G21-T23 PolarHBondContact O-N 3.19Å; G21-T23 VanDerWaalsContact O-N 3.12Å | ||
| 24 | S | 53.6 | Low | 54.4 | Low | 55 Ų | 55 | 114.1 Ų | 114.1 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -101.4 | -36.9 | -156 | -156.6 | 0 | 0 | 0 | 0 | 116.1 | E22 R28 | E22-S24 PolarHBondContact O-N 3.3Å; S24-R28 VanDerWaalsContact O-CB 3.25Å; S24-R28 WeakPolarHBondContact O-CB 3.42Å; S24-R28 WeakPolarHBondContact O-CD 3.4Å; S24-R28 WeakPolarHBondContact O-CG 3.23Å |
| 25 | A | 49.9 | Very low | 55.3 | Low | 67 Ų | 67 | 108.7 Ų | 108.7 | 55% | 0.554 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -98.8 | -51 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R28 I29 | A25-R28 PolarHBondContact O-N 3.36Å; A25-I29 WeakPolarHBondContact O-CD1 3.4Å; A25-I29 VanDerWaalsContact O-CG1 3.23Å; A25-I29 WeakPolarHBondContact O-CG1 3.37Å; A25-I29 PolarHBondContact O-N 2.81Å |
| 26 | R | 53.6 | Low | 56.7 | Low | 173 Ų | 173 | 104.8 Ų | 104.8 | 65% | 0.653 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.3 | -44.2 | -176.5 | -162.4 | 179.9 | -63 | 174.5 | 4.1 | 111.5 | R28 I29 I30 | R26-R28 VanDerWaalsContact C-N 3.33Å; R26-R28 PolarHBondContact O-N 2.95Å; R26-I29 PolarHBondContact O-N 3.12Å; R26-I30 HydrophobicContact CG-CD1 3.96Å; R26-I30 WeakPolarHBondContact O-CB 3.45Å; R26-I30 WeakPolarHBondContact O-CD1 3.4Å; R26-I30 WeakPolarHBondContact O-CG1 3.09Å; R26-I30 PolarHBondContact O-N 3.33Å |
| 27 | D | 53.9 | Low | 57.7 | Low | 42 Ų | 42 | 102.4 Ų | 102.4 | 23% | 0.225 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -63.7 | -36 | 174.5 | -76.2 | -65.4 | 0 | 0 | 0 | 112.7 | I30 N31 R83 | D27-I30 PolarHBondContact O-N 3.47Å; D27-N31 VanDerWaalsContact O-CB 3.22Å; D27-N31 WeakPolarHBondContact O-CB 3.42Å; D27-N31 PolarHBondContact O-N 3.25Å; D27-R83 WeakPolarHBondContact OD1-CD 3.29Å; D27-R83 VanDerWaalsContact OD1-CG 3.23Å; D27-R83 WeakPolarHBondContact OD1-CG 3.42Å; D27-R83 IonicContact OD1-CZ 3.91Å; D27-R83 IonicContact OD1-NE 3.1Å; D27-R83 PolarHBondContact OD1-NE 2.76Å; D27-R83 VanDerWaalsContact OD1-NE 3.1Å |
| 28 | R | 56 | Low | 58.1 | Low | 174 Ų | 174 | 96.3 Ų | 96.3 | 66% | 0.657 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -44.9 | 173.1 | -89.8 | -174.7 | 174.6 | 152 | -7.3 | 112.3 | S24 A25 R26 I30 N31 M32 | S24-R28 VanDerWaalsContact O-CB 3.25Å; S24-R28 WeakPolarHBondContact O-CB 3.42Å; S24-R28 WeakPolarHBondContact O-CD 3.4Å; S24-R28 WeakPolarHBondContact O-CG 3.23Å; A25-R28 PolarHBondContact O-N 3.36Å; R26-R28 VanDerWaalsContact C-N 3.33Å; R26-R28 PolarHBondContact O-N 2.95Å; R28-I30 VanDerWaalsContact C-N 3.31Å; R28-N31 PolarHBondContact O-N 3.38Å; R28-M32 WeakPolarHBondContact O-CB 3.25Å; R28-M32 PolarHBondContact O-N 3.33Å |
| 29 | I | 62.1 | Low | 59 | Low | 106 Ų | 106 | 95.5 Ų | 95.5 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.2 | -68.8 | 162.5 | 0 | 0 | 0 | 109.5 | A25 R26 M32 V33 | A25-I29 WeakPolarHBondContact O-CD1 3.4Å; A25-I29 VanDerWaalsContact O-CG1 3.23Å; A25-I29 WeakPolarHBondContact O-CG1 3.37Å; A25-I29 PolarHBondContact O-N 2.81Å; R26-I29 PolarHBondContact O-N 3.12Å; I29-M32 PolarHBondContact O-N 2.96Å; I29-V33 HydrophobicContact CG2-CG2 4.24Å; I29-V33 VanDerWaalsContact O-CB 3.31Å; I29-V33 WeakPolarHBondContact O-CB 3.15Å; I29-V33 WeakPolarHBondContact O-CG2 3.25Å; I29-V33 PolarHBondContact O-N 3Å |
| 30 | I | 62.6 | Low | 59.7 | Low | 41 Ų | 41 | 92.4 Ų | 92.4 | 21% | 0.21 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 175.9 | -69.7 | 165.1 | 0 | 0 | 0 | 110.6 | R26 D27 R28 M32 V33 V34 I79 | R26-I30 HydrophobicContact CG-CD1 3.96Å; R26-I30 WeakPolarHBondContact O-CB 3.45Å; R26-I30 WeakPolarHBondContact O-CD1 3.4Å; R26-I30 WeakPolarHBondContact O-CG1 3.09Å; R26-I30 PolarHBondContact O-N 3.33Å; D27-I30 PolarHBondContact O-N 3.47Å; R28-I30 VanDerWaalsContact C-N 3.31Å; I30-M32 VanDerWaalsContact C-N 3.32Å; I30-M32 PolarHBondContact O-N 3.14Å; I30-V33 PolarHBondContact O-N 2.97Å; I30-V34 HydrophobicContact CG2-CG2 4.25Å; I30-V34 VanDerWaalsContact O-CB 3.25Å; I30-V34 WeakPolarHBondContact O-CB 3.42Å; I30-V34 WeakPolarHBondContact O-CG2 3.47Å; I30-V34 PolarHBondContact O-N 2.95Å; I30-I79 HydrophobicContact CG2-CD1 4.36Å; I30-I79 HydrophobicContact CG2-CG2 3.4Å |
| 31 | N | 58.6 | Low | 59.8 | Low | 104 Ų | 104 | 84.4 Ų | 84.4 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.8 | -33.1 | 179.4 | -152.9 | 63.1 | 0 | 0 | 0 | 112.2 | D27 R28 G35 | D27-N31 VanDerWaalsContact O-CB 3.22Å; D27-N31 WeakPolarHBondContact O-CB 3.42Å; D27-N31 PolarHBondContact O-N 3.25Å; R28-N31 PolarHBondContact O-N 3.38Å; N31-G35 WeakPolarHBondContact O-CA 3.42Å; N31-G35 PolarHBondContact O-N 2.95Å |
| 32 | M | 62.1 | Low | 60.4 | Low | 150 Ų | 150 | 85.5 Ų | 85.5 | 74% | 0.739 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.5 | -39.8 | 175.8 | -171.1 | 179.3 | -84.3 | 0 | 0 | 111.4 | R28 I29 I30 G36 | R28-M32 WeakPolarHBondContact O-CB 3.25Å; R28-M32 PolarHBondContact O-N 3.33Å; I29-M32 PolarHBondContact O-N 2.96Å; I30-M32 VanDerWaalsContact C-N 3.32Å; I30-M32 PolarHBondContact O-N 3.14Å; M32-G36 PolarHBondContact O-N 3.47Å |
| 33 | V | 67.6 | Low | 61.2 | Low | 94 Ų | 94 | 82.8 Ų | 82.8 | 57% | 0.57 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -69.1 | -43.9 | 174.1 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | I29 I30 F37 | I29-V33 HydrophobicContact CG2-CG2 4.24Å; I29-V33 VanDerWaalsContact O-CB 3.31Å; I29-V33 WeakPolarHBondContact O-CB 3.15Å; I29-V33 WeakPolarHBondContact O-CG2 3.25Å; I29-V33 PolarHBondContact O-N 3Å; I30-V33 PolarHBondContact O-N 2.97Å; V33-F37 WeakPolarHBondContact O-CB 3.16Å; V33-F37 PolarHBondContact O-N 3.33Å |
| 34 | V | 60.2 | Low | 61.4 | Low | 35 Ų | 35 | 82 Ų | 82 | 21% | 0.212 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 176.6 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | I30 F37 T38 I76 I79 | I30-V34 HydrophobicContact CG2-CG2 4.25Å; I30-V34 VanDerWaalsContact O-CB 3.25Å; I30-V34 WeakPolarHBondContact O-CB 3.42Å; I30-V34 WeakPolarHBondContact O-CG2 3.47Å; I30-V34 PolarHBondContact O-N 2.95Å; V34-F37 PolarHBondContact O-N 2.91Å; V34-T38 VanDerWaalsContact O-CB 3.25Å; V34-T38 WeakPolarHBondContact O-CB 3.2Å; V34-T38 PolarHBondContact O-N 3.29Å; V34-T38 PolarHBondContact O-OG1 3.46Å; V34-I76 HydrophobicContact CG1-CG1 4.37Å; V34-I79 HydrophobicContact CG2-CD1 4.07Å |
| 35 | G | 64.3 | Low | 61.7 | Low | 40 Ų | 40 | 83 Ų | 83 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N31 S39 | N31-G35 WeakPolarHBondContact O-CA 3.42Å; N31-G35 PolarHBondContact O-N 2.95Å; G35-S39 VanDerWaalsContact O-CB 3.26Å; G35-S39 WeakPolarHBondContact O-CB 3.4Å; G35-S39 PolarHBondContact O-N 3.21Å |
| 36 | G | 73.1 | Confident | 62.1 | Low | 37 Ų | 37 | 83.4 Ų | 83.4 | 38% | 0.381 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | M32 S39 V40 | M32-G36 PolarHBondContact O-N 3.47Å; G36-S39 PolarHBondContact O-N 2.75Å; G36-V40 WeakPolarHBondContact O-CB 3.15Å; G36-V40 VanDerWaalsContact O-CG2 3.23Å; G36-V40 WeakPolarHBondContact O-CG2 3.14Å; G36-V40 PolarHBondContact O-N 2.89Å |
| 37 | F | 66.4 | Low | 62.3 | Low | 99 Ų | 99 | 79.6 Ų | 79.6 | 43% | 0.434 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 179 | -167.5 | -96.7 | 0 | 0 | 0 | 111.7 | V33 V34 S39 V40 V41 C72 | V33-F37 WeakPolarHBondContact O-CB 3.16Å; V33-F37 PolarHBondContact O-N 3.33Å; V34-F37 PolarHBondContact O-N 2.91Å; F37-S39 VanDerWaalsContact C-N 3.34Å; F37-S39 PolarHBondContact O-N 2.89Å; F37-V40 PolarHBondContact O-N 3.3Å; F37-V41 HydrophobicContact CD1-CG2 3.92Å; F37-V41 HydrophobicContact CE1-CG2 3.69Å; F37-V41 HydrophobicContact CZ-CG2 4.2Å; F37-V41 WeakPolarHBondContact O-CB 3.31Å; F37-V41 WeakPolarHBondContact O-CG2 3.25Å; F37-V41 PolarHBondContact O-N 2.8Å; F37-C72 WeakPolarHBondContact CD1-SG 3.48Å; F37-C72 HydrophobicContact CE1-CB 3.96Å; F37-C72 WeakPolarHBondContact CE1-SG 3.17Å |
| 38 | T | 62.8 | Low | 62.4 | Low | 59 Ų | 59 | 79.1 Ų | 79.1 | 36% | 0.362 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | V34 V41 V42 | V34-T38 VanDerWaalsContact O-CB 3.25Å; V34-T38 WeakPolarHBondContact O-CB 3.2Å; V34-T38 PolarHBondContact O-N 3.29Å; V34-T38 PolarHBondContact O-OG1 3.46Å; T38-V41 PolarHBondContact O-N 3.36Å; T38-V42 HydrophobicContact CG2-CG2 4.49Å; T38-V42 WeakPolarHBondContact O-CB 3.37Å; T38-V42 VanDerWaalsContact O-CG2 3.29Å; T38-V42 WeakPolarHBondContact O-CG2 3.22Å; T38-V42 PolarHBondContact O-N 3.17Å |
| 39 | S | 67.9 | Low | 62.4 | Low | 65 Ų | 65 | 75.3 Ų | 75.3 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 112 | G35 G36 F37 V41 V42 L43 | G35-S39 VanDerWaalsContact O-CB 3.26Å; G35-S39 WeakPolarHBondContact O-CB 3.4Å; G35-S39 PolarHBondContact O-N 3.21Å; G36-S39 PolarHBondContact O-N 2.75Å; F37-S39 VanDerWaalsContact C-N 3.34Å; F37-S39 PolarHBondContact O-N 2.89Å; S39-V41 VanDerWaalsContact C-N 3.35Å; S39-V41 PolarHBondContact O-N 2.8Å; S39-V42 PolarHBondContact O-N 3.27Å; S39-L43 WeakPolarHBondContact O-CB 3.04Å; S39-L43 PolarHBondContact O-N 2.91Å |
| 40 | V | 70.1 | Confident | 61.9 | Low | 84 Ų | 84 | 78.3 Ų | 78.3 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | G36 F37 L43 V44 | G36-V40 WeakPolarHBondContact O-CB 3.15Å; G36-V40 VanDerWaalsContact O-CG2 3.23Å; G36-V40 WeakPolarHBondContact O-CG2 3.14Å; G36-V40 PolarHBondContact O-N 2.89Å; F37-V40 PolarHBondContact O-N 3.3Å; V40-L43 PolarHBondContact O-N 2.93Å; V40-V44 HydrophobicContact CG1-CG2 4.34Å; V40-V44 WeakPolarHBondContact O-CB 3.23Å; V40-V44 VanDerWaalsContact O-CG2 3.23Å; V40-V44 WeakPolarHBondContact O-CG2 3.11Å; V40-V44 PolarHBondContact O-N 3.32Å |
| 41 | V | 59.8 | Low | 61.5 | Low | 26 Ų | 26 | 81.1 Ų | 81.1 | 16% | 0.158 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.8 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | F37 T38 S39 V44 T45 L69 | F37-V41 HydrophobicContact CD1-CG2 3.92Å; F37-V41 HydrophobicContact CE1-CG2 3.69Å; F37-V41 HydrophobicContact CZ-CG2 4.2Å; F37-V41 WeakPolarHBondContact O-CB 3.31Å; F37-V41 WeakPolarHBondContact O-CG2 3.25Å; F37-V41 PolarHBondContact O-N 2.8Å; T38-V41 PolarHBondContact O-N 3.36Å; S39-V41 VanDerWaalsContact C-N 3.35Å; S39-V41 PolarHBondContact O-N 2.8Å; V41-V44 PolarHBondContact O-N 3.44Å; V41-T45 WeakPolarHBondContact O-CB 3.41Å; V41-T45 PolarHBondContact O-N 3.33Å; V41-T45 PolarHBondContact O-OG1 2.78Å; V41-L69 HydrophobicContact CG1-CD2 4.21Å |
| 42 | V | 60.7 | Low | 60.8 | Low | 84 Ų | 84 | 82.4 Ų | 82.4 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | T38 S39 T45 V46 | T38-V42 HydrophobicContact CG2-CG2 4.49Å; T38-V42 WeakPolarHBondContact O-CB 3.37Å; T38-V42 VanDerWaalsContact O-CG2 3.29Å; T38-V42 WeakPolarHBondContact O-CG2 3.22Å; T38-V42 PolarHBondContact O-N 3.17Å; S39-V42 PolarHBondContact O-N 3.27Å; V42-T45 PolarHBondContact O-N 2.81Å; V42-V46 HydrophobicContact CG1-CG2 4.26Å; V42-V46 WeakPolarHBondContact O-CB 3.4Å; V42-V46 WeakPolarHBondContact O-CG2 3.4Å; V42-V46 PolarHBondContact O-N 3.29Å |
| 43 | L | 65 | Low | 59.8 | Low | 95 Ų | 95 | 80.9 Ų | 80.9 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 175.6 | -94.2 | 164.3 | 0 | 0 | 0 | 111.8 | S39 V40 T45 V46 I47 | S39-L43 WeakPolarHBondContact O-CB 3.04Å; S39-L43 PolarHBondContact O-N 2.91Å; V40-L43 PolarHBondContact O-N 2.93Å; L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 3.48Å; L43-V46 PolarHBondContact O-N 3.45Å; L43-I47 HydrophobicContact CD2-CD1 4.27Å; L43-I47 VanDerWaalsContact O-CB 3.28Å; L43-I47 WeakPolarHBondContact O-CB 3.33Å; L43-I47 WeakPolarHBondContact O-CD1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.48Å; L43-I47 PolarHBondContact O-N 3.21Å |
| 44 | V | 59.9 | Low | 58.8 | Low | 93 Ų | 93 | 79.5 Ų | 79.5 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.8 | -35.1 | 179.6 | 172 | 0 | 0 | 0 | 0 | 111.7 | V40 V41 G48 | V40-V44 HydrophobicContact CG1-CG2 4.34Å; V40-V44 WeakPolarHBondContact O-CB 3.23Å; V40-V44 VanDerWaalsContact O-CG2 3.23Å; V40-V44 WeakPolarHBondContact O-CG2 3.11Å; V40-V44 PolarHBondContact O-N 3.32Å; V41-V44 PolarHBondContact O-N 3.44Å; V44-G48 WeakPolarHBondContact O-CA 3.23Å; V44-G48 PolarHBondContact O-N 3.38Å |
| 45 | T | 58.5 | Low | 58.2 | Low | 75 Ų | 75 | 85.7 Ų | 85.7 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.2 | -42.1 | 176.4 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | V41 V42 L43 G48 S49 | V41-T45 WeakPolarHBondContact O-CB 3.41Å; V41-T45 PolarHBondContact O-N 3.33Å; V41-T45 PolarHBondContact O-OG1 2.78Å; V42-T45 PolarHBondContact O-N 2.81Å; L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 3.48Å; T45-G48 PolarHBondContact O-N 2.88Å; T45-S49 VanDerWaalsContact O-CB 3.32Å; T45-S49 WeakPolarHBondContact O-CB 3.36Å; T45-S49 PolarHBondContact O-N 2.85Å |
| 46 | V | 57.8 | Low | 57.3 | Low | 75 Ų | 75 | 89 Ų | 89 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | V42 L43 S49 F50 | V42-V46 HydrophobicContact CG1-CG2 4.26Å; V42-V46 WeakPolarHBondContact O-CB 3.4Å; V42-V46 WeakPolarHBondContact O-CG2 3.4Å; V42-V46 PolarHBondContact O-N 3.29Å; L43-V46 PolarHBondContact O-N 3.45Å; V46-S49 PolarHBondContact O-N 3.1Å; V46-F50 HydrophobicContact CG1-CD2 4.27Å; V46-F50 WeakPolarHBondContact O-CB 3.24Å; V46-F50 PolarHBondContact O-N 2.78Å |
| 47 | I | 58.8 | Low | 56 | Low | 93 Ų | 93 | 91.7 Ų | 91.7 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.3 | -66.2 | 164.7 | 0 | 0 | 0 | 109.9 | L43 S49 F50 V51 | L43-I47 HydrophobicContact CD2-CD1 4.27Å; L43-I47 VanDerWaalsContact O-CB 3.28Å; L43-I47 WeakPolarHBondContact O-CB 3.33Å; L43-I47 WeakPolarHBondContact O-CD1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.48Å; L43-I47 PolarHBondContact O-N 3.21Å; I47-S49 VanDerWaalsContact C-N 3.33Å; I47-S49 PolarHBondContact O-N 3.43Å; I47-F50 PolarHBondContact O-N 2.88Å; I47-V51 HydrophobicContact CG2-CG2 3.66Å; I47-V51 WeakPolarHBondContact O-CB 3.44Å; I47-V51 WeakPolarHBondContact O-CG2 3.07Å; I47-V51 PolarHBondContact O-N 2.83Å |
| 48 | G | 56.8 | Low | 55.4 | Low | 33 Ų | 33 | 93.9 Ų | 93.9 | 34% | 0.34 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V44 T45 F50 | V44-G48 WeakPolarHBondContact O-CA 3.23Å; V44-G48 PolarHBondContact O-N 3.38Å; T45-G48 PolarHBondContact O-N 2.88Å; G48-F50 VanDerWaalsContact C-N 3.35Å |
| 49 | S | 54.8 | Low | 55.1 | Low | 93 Ų | 93 | 95.1 Ų | 95.1 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.1 | -27.6 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 113.2 | T45 V46 I47 | T45-S49 VanDerWaalsContact O-CB 3.32Å; T45-S49 WeakPolarHBondContact O-CB 3.36Å; T45-S49 PolarHBondContact O-N 2.85Å; V46-S49 PolarHBondContact O-N 3.1Å; I47-S49 VanDerWaalsContact C-N 3.33Å; I47-S49 PolarHBondContact O-N 3.43Å |
| 50 | F | 52.5 | Low | 54.4 | Low | 169 Ų | 169 | 95.8 Ų | 95.8 | 74% | 0.741 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -97.4 | -30.2 | -177.8 | -97.9 | -84.6 | 0 | 0 | 0 | 114.1 | V46 I47 G48 F52 | V46-F50 HydrophobicContact CG1-CD2 4.27Å; V46-F50 WeakPolarHBondContact O-CB 3.24Å; V46-F50 PolarHBondContact O-N 2.78Å; I47-F50 PolarHBondContact O-N 2.88Å; G48-F50 VanDerWaalsContact C-N 3.35Å; F50-F52 VanDerWaalsContact C-N 3.32Å |
| 51 | V | 52.7 | Low | 53.8 | Low | 100 Ų | 100 | 94.9 Ų | 94.9 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -82.3 | -12.3 | -178.2 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | I47 P53 | I47-V51 HydrophobicContact CG2-CG2 3.66Å; I47-V51 WeakPolarHBondContact O-CB 3.44Å; I47-V51 WeakPolarHBondContact O-CG2 3.07Å; I47-V51 PolarHBondContact O-N 2.83Å; V51-P53 WeakPolarHBondContact O-CD 3.37Å |
| 52 | F | 45.8 | Very low | 54 | Low | 132 Ų | 132 | 98.2 Ų | 98.2 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | trans | -110.8 | 71.8 | 173.1 | -75 | -81.9 | 0 | 0 | 0 | 113.7 | F50 S54 | F50-F52 VanDerWaalsContact C-N 3.32Å; F52-S54 PolarHBondContact O-N 2.82Å | ||
| 53 | P | 41.1 | Very low | 54 | Low | 117 Ų | 117 | 101.1 Ų | 101.1 | 76% | 0.76 | 56% | 0.56 | S | S | * | * | trans | -84.1 | 60.8 | 149.7 | 36.2 | -27.5 | 0 | 0 | 0 | 108.6 | V51 | V51-P53 WeakPolarHBondContact O-CD 3.37Š| ||
| 54 | S | 46.4 | Very low | 53.8 | Low | 66 Ų | 66 | 99 Ų | 99 | 46% | 0.462 | 55% | 0.546 | S | S | . | . | trans | -138.5 | 99.4 | 171.7 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | F52 | F52-S54 PolarHBondContact O-N 2.82Š| ||
| 55 | L | 47.8 | Very low | 53.8 | Low | 165 Ų | 165 | 97 Ų | 97 | 86% | 0.864 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -53.4 | 133 | 157.1 | -73.8 | 77.2 | 0 | 0 | 0 | 108 | ||
| 56 | P | 43.4 | Very low | 54 | Low | 110 Ų | 110 | 96.7 Ų | 96.7 | 71% | 0.714 | 54% | 0.538 | S | S | * | . | cis | -104.6 | 124.2 | 7.9 | 34.2 | -21.6 | 0 | 0 | 0 | 111.5 | R58 | P56-R58 PolarHBondContact O-N 3.47Š| ||
| 57 | P | 47.5 | Very low | 54.3 | Low | 92 Ų | 92 | 95.6 Ų | 95.6 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | trans | -65.1 | 110.5 | 173.3 | 27.5 | -31.4 | 0 | 0 | 0 | 107.6 | P59 I62 | P57-P59 WeakPolarHBondContact O-CD 3.23Å; P57-P59 VanDerWaalsContact O-N 3.1Å; P57-I62 HydrophobicContact CB-CD1 4.14Å | ||
| 58 | R | 53.8 | Low | 54.7 | Low | 146 Ų | 146 | 94 Ų | 94 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | trans | -59.4 | 122.1 | 170.8 | -73.6 | -162.8 | 179.5 | 175.4 | 3.1 | 106.5 | P56 L60 N61 | P56-R58 PolarHBondContact O-N 3.47Å; R58-L60 HydrophobicContact CB-CD1 4.33Å; R58-L60 PolarHBondContact O-N 2.9Å; R58-N61 PolarHBondContact O-N 3.34Å | ||
| 59 | P | 55.2 | Low | 55.1 | Low | 84 Ų | 84 | 96.8 Ų | 96.8 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55.9 | -22.9 | -173.7 | 18.6 | -30.5 | 0 | 0 | 0 | 112.3 | P57 N61 I62 F63 | P57-P59 WeakPolarHBondContact O-CD 3.23Å; P57-P59 VanDerWaalsContact O-N 3.1Å; P59-N61 PolarHBondContact O-N 2.86Å; P59-I62 WeakPolarHBondContact O-CB 3.08Å; P59-I62 PolarHBondContact O-N 3.3Å; P59-F63 WeakPolarHBondContact O-CD2 3.47Å; P59-F63 PolarHBondContact O-N 2.93Å |
| 60 | L | 54.1 | Low | 55.5 | Low | 80 Ų | 80 | 98.1 Ų | 98.1 | 42% | 0.419 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -54.8 | -42.4 | 175.9 | -55.6 | 160.5 | 0 | 0 | 0 | 113.4 | R58 I62 F63 F64 Y112 | R58-L60 HydrophobicContact CB-CD1 4.33Å; R58-L60 PolarHBondContact O-N 2.9Å; L60-I62 VanDerWaalsContact C-N 3.34Å; L60-I62 PolarHBondContact O-N 3.28Å; L60-F63 PolarHBondContact O-N 3.48Å; L60-F64 WeakPolarHBondContact O-CD2 3.25Å; L60-F64 PolarHBondContact O-N 3.37Å; L60-Y112 HydrophobicContact CD1-CE2 4.39Å; L60-Y112 WeakPolarHBondContact CD1-OH 3.47Å |
| 61 | N | 57.8 | Low | 56.2 | Low | 65 Ų | 65 | 90.9 Ų | 90.9 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -35.9 | -179.5 | -66.5 | -6.8 | 0 | 0 | 0 | 111.4 | R58 P59 A65 | R58-N61 PolarHBondContact O-N 3.34Å; P59-N61 PolarHBondContact O-N 2.86Å; N61-A65 PolarHBondContact O-N 3.41Å; N61-A65 VanDerWaalsContact O-N 3.15Å |
| 62 | I | 64.3 | Low | 56.7 | Low | 95 Ų | 95 | 86.8 Ų | 86.8 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 174.8 | -69.6 | 162.5 | 0 | 0 | 0 | 110 | P57 P59 L60 F64 A65 V66 | P57-I62 HydrophobicContact CB-CD1 4.14Å; P59-I62 WeakPolarHBondContact O-CB 3.08Å; P59-I62 PolarHBondContact O-N 3.3Å; L60-I62 VanDerWaalsContact C-N 3.34Å; L60-I62 PolarHBondContact O-N 3.28Å; I62-F64 PolarHBondContact O-N 2.89Å; I62-A65 PolarHBondContact O-N 2.98Å; I62-V66 HydrophobicContact CG2-CG2 4.45Å; I62-V66 VanDerWaalsContact O-CG2 3.3Å; I62-V66 WeakPolarHBondContact O-CG2 3.37Å; I62-V66 PolarHBondContact O-N 3.44Å |
| 63 | F | 59.8 | Low | 57.7 | Low | 145 Ų | 145 | 82 Ų | 82 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.3 | -41.3 | 176.1 | -100.6 | -86.3 | 0 | 0 | 0 | 112.8 | P59 L60 V66 C67 | P59-F63 WeakPolarHBondContact O-CD2 3.47Å; P59-F63 PolarHBondContact O-N 2.93Å; L60-F63 PolarHBondContact O-N 3.48Å; F63-V66 PolarHBondContact O-N 3.3Å; F63-C67 WeakPolarHBondContact O-CB 3.49Å; F63-C67 PolarHBondContact O-N 3.26Å; F63-C67 PolarHBondContact O-SG 3.45Å |
| 64 | F | 61.2 | Low | 58.8 | Low | 50 Ų | 50 | 78.7 Ų | 78.7 | 22% | 0.219 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 174.8 | -93.5 | -71.2 | 0 | 0 | 0 | 112.4 | L60 I62 V66 C67 I68 L105 C108 A109 | L60-F64 WeakPolarHBondContact O-CD2 3.25Å; L60-F64 PolarHBondContact O-N 3.37Å; I62-F64 PolarHBondContact O-N 2.89Å; F64-V66 VanDerWaalsContact C-N 3.34Å; F64-V66 PolarHBondContact O-N 3.49Å; F64-C67 PolarHBondContact O-N 3.05Å; F64-I68 VanDerWaalsContact O-CG1 3.3Å; F64-I68 WeakPolarHBondContact O-CG1 3.36Å; F64-I68 PolarHBondContact O-N 3.45Å; F64-L105 HydrophobicContact CD1-CD1 4.14Å; F64-L105 HydrophobicContact CD1-CG 4.1Å; F64-L105 HydrophobicContact CE1-CD1 3.84Å; F64-L105 HydrophobicContact CE1-CG 3.99Å; F64-L105 WeakPolarHBondContact CE1-O 3.32Å; F64-C108 HydrophobicContact CE1-CB 4.39Å; F64-C108 HydrophobicContact CZ-CB 4.16Å; F64-A109 HydrophobicContact CD1-CB 3.79Å; F64-A109 HydrophobicContact CE1-CB 3.59Å; F64-A109 HydrophobicContact CE2-CB 4.46Å; F64-A109 HydrophobicContact CG-CB 4.32Å; F64-A109 HydrophobicContact CZ-CB 3.95Å |
| 65 | A | 59 | Low | 59.8 | Low | 51 Ų | 51 | 76.8 Ų | 76.8 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | N61 I62 I68 L69 | N61-A65 PolarHBondContact O-N 3.41Å; N61-A65 VanDerWaalsContact O-N 3.15Å; I62-A65 PolarHBondContact O-N 2.98Å; A65-I68 PolarHBondContact O-N 2.92Å; A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 3.43Å |
| 66 | V | 62.3 | Low | 60.5 | Low | 69 Ų | 69 | 72 Ų | 72 | 42% | 0.418 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | I62 F63 F64 I68 L69 L70 | I62-V66 HydrophobicContact CG2-CG2 4.45Å; I62-V66 VanDerWaalsContact O-CG2 3.3Å; I62-V66 WeakPolarHBondContact O-CG2 3.37Å; I62-V66 PolarHBondContact O-N 3.44Å; F63-V66 PolarHBondContact O-N 3.3Å; F64-V66 VanDerWaalsContact C-N 3.34Å; F64-V66 PolarHBondContact O-N 3.49Å; V66-I68 PolarHBondContact O-N 3.47Å; V66-L69 WeakPolarHBondContact O-CB 3.29Å; V66-L69 PolarHBondContact O-N 2.91Å; V66-L70 HydrophobicContact CG1-CD1 3.49Å; V66-L70 VanDerWaalsContact CG1-CD1 3.49Å; V66-L70 WeakPolarHBondContact O-CD1 3.22Å; V66-L70 PolarHBondContact O-N 3.22Å |
| 67 | C | 66.1 | Low | 61.6 | Low | 52 Ų | 52 | 70.6 Ų | 70.6 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.7 | -74.5 | 0 | 0 | 0 | 0 | 112.5 | F63 F64 L69 L70 A71 L105 | F63-C67 WeakPolarHBondContact O-CB 3.49Å; F63-C67 PolarHBondContact O-N 3.26Å; F63-C67 PolarHBondContact O-SG 3.45Å; F64-C67 PolarHBondContact O-N 3.05Å; C67-L69 VanDerWaalsContact C-N 3.35Å; C67-L70 PolarHBondContact O-N 3.15Å; C67-A71 VanDerWaalsContact O-CB 3.29Å; C67-A71 WeakPolarHBondContact O-CB 3.4Å; C67-A71 PolarHBondContact O-N 3.47Å; C67-L105 HydrophobicContact CB-CD1 3.97Å; C67-L105 HydrophobicContact CB-CD2 3.55Å; C67-L105 HydrophobicContact CB-CG 4.38Å |
| 68 | I | 66.5 | Low | 62.4 | Low | 61 Ų | 61 | 67.1 Ų | 67.1 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 176.7 | -66 | 168.2 | 0 | 0 | 0 | 110.5 | F64 A65 V66 A71 C72 L105 | F64-I68 VanDerWaalsContact O-CG1 3.3Å; F64-I68 WeakPolarHBondContact O-CG1 3.36Å; F64-I68 PolarHBondContact O-N 3.45Å; A65-I68 PolarHBondContact O-N 2.92Å; V66-I68 PolarHBondContact O-N 3.47Å; I68-A71 PolarHBondContact O-N 2.99Å; I68-C72 VanDerWaalsContact O-CB 3.26Å; I68-C72 WeakPolarHBondContact O-CB 3.3Å; I68-C72 PolarHBondContact O-N 3.37Å; I68-L105 HydrophobicContact CG1-CD2 3.72Å |
| 69 | L | 65.4 | Low | 62.9 | Low | 91 Ų | 91 | 62.1 Ų | 62.1 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 174.7 | -98.2 | 172.2 | 0 | 0 | 0 | 112.6 | V41 A65 V66 C67 A71 C72 G73 | V41-L69 HydrophobicContact CG1-CD2 4.21Å; A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 3.43Å; V66-L69 WeakPolarHBondContact O-CB 3.29Å; V66-L69 PolarHBondContact O-N 2.91Å; C67-L69 VanDerWaalsContact C-N 3.35Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-C72 WeakPolarHBondContact O-CB 3.29Å; L69-C72 PolarHBondContact O-N 3.21Å; L69-G73 PolarHBondContact O-N 3.24Å |
| 70 | L | 62 | Low | 63.4 | Low | 121 Ų | 121 | 63.3 Ų | 63.3 | 63% | 0.634 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.3 | -41.1 | 177 | -94 | 117.2 | 0 | 0 | 0 | 111.6 | V66 C67 C72 G73 S74 | V66-L70 HydrophobicContact CG1-CD1 3.49Å; V66-L70 VanDerWaalsContact CG1-CD1 3.49Å; V66-L70 WeakPolarHBondContact O-CD1 3.22Å; V66-L70 PolarHBondContact O-N 3.22Å; C67-L70 PolarHBondContact O-N 3.15Å; L70-C72 VanDerWaalsContact C-N 3.33Å; L70-C72 PolarHBondContact O-N 3.41Å; L70-G73 PolarHBondContact O-N 2.84Å; L70-S74 WeakPolarHBondContact O-CB 3.23Å; L70-S74 PolarHBondContact O-N 2.8Å |
| 71 | A | 67.3 | Low | 63.9 | Low | 16 Ų | 16 | 65.2 Ų | 65.2 | 13% | 0.132 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C67 I68 L69 T75 M98 I102 | C67-A71 VanDerWaalsContact O-CB 3.29Å; C67-A71 WeakPolarHBondContact O-CB 3.4Å; C67-A71 PolarHBondContact O-N 3.47Å; I68-A71 PolarHBondContact O-N 2.99Å; L69-A71 VanDerWaalsContact C-N 3.34Å; A71-T75 PolarHBondContact O-N 3.4Å; A71-T75 PolarHBondContact O-OG1 2.67Å; A71-M98 HydrophobicContact CB-CE 4.31Å; A71-M98 VanDerWaalsContact O-CE 3.23Å; A71-M98 WeakPolarHBondContact O-CE 3.31Å; A71-I102 HydrophobicContact CB-CD1 4.17Å; A71-I102 HydrophobicContact CB-CG1 3.66Å |
| 72 | C | 64.2 | Low | 64 | Low | 14 Ų | 14 | 66 Ų | 66 | 10% | 0.095 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | F37 I68 L69 L70 S74 T75 I76 | F37-C72 WeakPolarHBondContact CD1-SG 3.48Å; F37-C72 HydrophobicContact CE1-CB 3.96Å; F37-C72 WeakPolarHBondContact CE1-SG 3.17Å; I68-C72 VanDerWaalsContact O-CB 3.26Å; I68-C72 WeakPolarHBondContact O-CB 3.3Å; I68-C72 PolarHBondContact O-N 3.37Å; L69-C72 WeakPolarHBondContact O-CB 3.29Å; L69-C72 PolarHBondContact O-N 3.21Å; L70-C72 VanDerWaalsContact C-N 3.33Å; L70-C72 PolarHBondContact O-N 3.41Å; C72-S74 VanDerWaalsContact C-N 3.3Å; C72-S74 PolarHBondContact O-N 3.48Å; C72-T75 PolarHBondContact O-N 2.94Å; C72-T75 VanDerWaalsContact O-N 3.16Å; C72-I76 WeakPolarHBondContact O-CG1 3.38Å; C72-I76 PolarHBondContact O-N 3.35Å |
| 73 | G | 66.8 | Low | 63.8 | Low | 32 Ų | 32 | 68.1 Ų | 68.1 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L69 L70 T75 I76 V77 | L69-G73 PolarHBondContact O-N 3.24Å; L70-G73 PolarHBondContact O-N 2.84Å; G73-T75 PolarHBondContact O-N 2.83Å; G73-I76 PolarHBondContact O-N 3.32Å; G73-V77 WeakPolarHBondContact O-CG2 3.26Å; G73-V77 PolarHBondContact O-N 3.33Å |
| 74 | S | 64.9 | Low | 63.8 | Low | 47 Ų | 47 | 67 Ų | 67 | 33% | 0.329 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 112 | L70 C72 I76 V77 L78 M98 | L70-S74 WeakPolarHBondContact O-CB 3.23Å; L70-S74 PolarHBondContact O-N 2.8Å; C72-S74 VanDerWaalsContact C-N 3.3Å; C72-S74 PolarHBondContact O-N 3.48Å; S74-I76 PolarHBondContact O-N 3.24Å; S74-V77 PolarHBondContact O-N 3.38Å; S74-L78 WeakPolarHBondContact O-CD1 3.43Å; S74-L78 PolarHBondContact O-N 3.29Å; S74-M98 WeakPolarHBondContact OG-CE 3.2Å |
| 75 | T | 65.4 | Low | 63.6 | Low | 26 Ų | 26 | 67.6 Ų | 67.6 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.2 | -39 | 173.6 | -47.2 | 0 | 0 | 0 | 0 | 112 | A71 C72 G73 L78 I79 | A71-T75 PolarHBondContact O-N 3.4Å; A71-T75 PolarHBondContact O-OG1 2.67Å; C72-T75 PolarHBondContact O-N 2.94Å; C72-T75 VanDerWaalsContact O-N 3.16Å; G73-T75 PolarHBondContact O-N 2.83Å; T75-L78 PolarHBondContact O-N 2.85Å; T75-I79 HydrophobicContact CG2-CD1 4.15Å; T75-I79 WeakPolarHBondContact O-CD1 3.35Å; T75-I79 VanDerWaalsContact O-CG1 3.23Å; T75-I79 WeakPolarHBondContact O-CG1 3.37Å; T75-I79 PolarHBondContact O-N 2.95Å |
| 76 | I | 64.4 | Low | 63.4 | Low | 66 Ų | 66 | 70.4 Ų | 70.4 | 34% | 0.338 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 176.3 | -67.5 | 166.4 | 0 | 0 | 0 | 111.4 | V34 C72 G73 S74 L78 I79 F80 | V34-I76 HydrophobicContact CG1-CG1 4.37Å; C72-I76 WeakPolarHBondContact O-CG1 3.38Å; C72-I76 PolarHBondContact O-N 3.35Å; G73-I76 PolarHBondContact O-N 3.32Å; S74-I76 PolarHBondContact O-N 3.24Å; I76-L78 VanDerWaalsContact C-N 3.33Å; I76-L78 PolarHBondContact O-N 2.98Å; I76-I79 PolarHBondContact O-N 2.93Å; I76-F80 WeakPolarHBondContact O-CB 3.48Å; I76-F80 PolarHBondContact O-N 3.5Å |
| 77 | V | 65.6 | Low | 63 | Low | 79 Ų | 79 | 67.9 Ų | 67.9 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 178 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | G73 S74 I79 F80 W81 | G73-V77 WeakPolarHBondContact O-CG2 3.26Å; G73-V77 PolarHBondContact O-N 3.33Å; S74-V77 PolarHBondContact O-N 3.38Å; V77-I79 VanDerWaalsContact C-N 3.34Å; V77-I79 PolarHBondContact O-N 2.88Å; V77-F80 WeakPolarHBondContact O-CB 3.26Å; V77-F80 PolarHBondContact O-N 3.49Å; V77-W81 VanDerWaalsContact O-CD1 3.25Å; V77-W81 PolarHBondContact O-N 3.44Å |
| 78 | L | 64.3 | Low | 62.6 | Low | 20 Ų | 20 | 70.8 Ų | 70.8 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.6 | -97.7 | 97.3 | 0 | 0 | 0 | 112.9 | S74 T75 I76 F80 Y82 L94 I95 | S74-L78 WeakPolarHBondContact O-CD1 3.43Å; S74-L78 PolarHBondContact O-N 3.29Å; T75-L78 PolarHBondContact O-N 2.85Å; I76-L78 VanDerWaalsContact C-N 3.33Å; I76-L78 PolarHBondContact O-N 2.98Å; L78-F80 VanDerWaalsContact C-N 3.32Å; L78-Y82 VanDerWaalsContact O-CB 3.24Å; L78-Y82 WeakPolarHBondContact O-CB 3.23Å; L78-Y82 PolarHBondContact O-N 2.92Å; L78-L94 HydrophobicContact CD1-CD2 3.91Å; L78-L94 HydrophobicContact CD2-CB 4.23Å; L78-L94 HydrophobicContact CD2-CD2 3.5Å; L78-L94 HydrophobicContact CD2-CG 4.46Å; L78-L94 HydrophobicContact CG-CD2 4.19Å; L78-I95 HydrophobicContact CB-CG1 4.3Å; L78-I95 HydrophobicContact CD2-CB 4.38Å; L78-I95 HydrophobicContact CD2-CD1 4.39Å; L78-I95 HydrophobicContact CD2-CG1 3.37Å; L78-I95 HydrophobicContact CG-CG1 4.49Å |
| 79 | I | 65.2 | Low | 62 | Low | 40 Ų | 40 | 71.8 Ų | 71.8 | 21% | 0.205 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 175.8 | -70.7 | 163.9 | 0 | 0 | 0 | 110.7 | I30 V34 T75 I76 V77 Y82 R83 | I30-I79 HydrophobicContact CG2-CD1 4.36Å; I30-I79 HydrophobicContact CG2-CG2 3.4Å; V34-I79 HydrophobicContact CG2-CD1 4.07Å; T75-I79 HydrophobicContact CG2-CD1 4.15Å; T75-I79 WeakPolarHBondContact O-CD1 3.35Å; T75-I79 VanDerWaalsContact O-CG1 3.23Å; T75-I79 WeakPolarHBondContact O-CG1 3.37Å; T75-I79 PolarHBondContact O-N 2.95Å; I76-I79 PolarHBondContact O-N 2.93Å; V77-I79 VanDerWaalsContact C-N 3.34Å; V77-I79 PolarHBondContact O-N 2.88Å; I79-Y82 PolarHBondContact O-N 2.76Å; I79-R83 WeakPolarHBondContact O-CB 3.47Å; I79-R83 PolarHBondContact O-N 3.31Å |
| 80 | F | 64.8 | Low | 61.4 | Low | 110 Ų | 110 | 74.7 Ų | 74.7 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 177.5 | -173.1 | -96.4 | 0 | 0 | 0 | 111.7 | I76 V77 L78 Y82 R83 Q84 | I76-F80 WeakPolarHBondContact O-CB 3.48Å; I76-F80 PolarHBondContact O-N 3.5Å; V77-F80 WeakPolarHBondContact O-CB 3.26Å; V77-F80 PolarHBondContact O-N 3.49Å; L78-F80 VanDerWaalsContact C-N 3.32Å; F80-Y82 VanDerWaalsContact C-N 3.34Å; F80-Y82 PolarHBondContact O-N 3.16Å; F80-R83 PolarHBondContact O-N 3.06Å; F80-Q84 HydrophobicContact CD1-CG 4.43Å; F80-Q84 HydrophobicContact CE1-CG 4.16Å; F80-Q84 HydrophobicContact CZ-CG 4.45Å; F80-Q84 WeakPolarHBondContact O-CG 3.5Å; F80-Q84 PolarHBondContact O-N 3.48Å |
| 81 | W | 65.4 | Low | 61.2 | Low | 120 Ų | 120 | 73.3 Ų | 73.3 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 176.7 | -81.3 | 52.6 | 0 | 0 | 0 | 112.2 | V77 Q84 G85 D86 L87 | V77-W81 VanDerWaalsContact O-CD1 3.25Å; V77-W81 PolarHBondContact O-N 3.44Å; W81-Q84 PolarHBondContact O-N 3.38Å; W81-G85 PolarHBondContact O-N 2.95Å; W81-D86 WeakPolarHBondContact CZ3-OD1 3.2Å; W81-D86 PolarHBondContact O-N 3.39Å; W81-L87 HydrophobicContact CB-CD1 4.18Å; W81-L87 HydrophobicContact CB-CD2 4.46Å; W81-L87 HydrophobicContact CE3-CD1 3.86Å |
| 82 | Y | 58.3 | Low | 61 | Low | 80 Ų | 80 | 78.3 Ų | 78.3 | 31% | 0.314 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 173.5 | -177.8 | -104.2 | 0 | 0 | 0 | 112 | L78 I79 F80 G85 | L78-Y82 VanDerWaalsContact O-CB 3.24Å; L78-Y82 WeakPolarHBondContact O-CB 3.23Å; L78-Y82 PolarHBondContact O-N 2.92Å; I79-Y82 PolarHBondContact O-N 2.76Å; F80-Y82 VanDerWaalsContact C-N 3.34Å; F80-Y82 PolarHBondContact O-N 3.16Å; Y82-G85 PolarHBondContact O-N 2.98Å; Y82-G85 VanDerWaalsContact O-N 3.15Å |
| 83 | R | 60.4 | Low | 60.7 | Low | 141 Ų | 141 | 83.3 Ų | 83.3 | 53% | 0.532 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.2 | -33.3 | 176.6 | -87.4 | -176.6 | 65.9 | -168.4 | -4.2 | 113.7 | D27 I79 F80 G85 | D27-R83 WeakPolarHBondContact OD1-CD 3.29Å; D27-R83 VanDerWaalsContact OD1-CG 3.23Å; D27-R83 WeakPolarHBondContact OD1-CG 3.42Å; D27-R83 IonicContact OD1-CZ 3.91Å; D27-R83 IonicContact OD1-NE 3.1Å; D27-R83 PolarHBondContact OD1-NE 2.76Å; D27-R83 VanDerWaalsContact OD1-NE 3.1Å; I79-R83 WeakPolarHBondContact O-CB 3.47Å; I79-R83 PolarHBondContact O-N 3.31Å; F80-R83 PolarHBondContact O-N 3.06Å; R83-G85 PolarHBondContact O-N 2.99Å |
| 84 | Q | 60.7 | Low | 60.7 | Low | 120 Ų | 120 | 85.5 Ų | 85.5 | 56% | 0.561 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -6 | 175.2 | -72.1 | -172.6 | -47.5 | 0 | 0 | 112.4 | F80 W81 D86 | F80-Q84 HydrophobicContact CD1-CG 4.43Å; F80-Q84 HydrophobicContact CE1-CG 4.16Å; F80-Q84 HydrophobicContact CZ-CG 4.45Å; F80-Q84 WeakPolarHBondContact O-CG 3.5Å; F80-Q84 PolarHBondContact O-N 3.48Å; W81-Q84 PolarHBondContact O-N 3.38Å; Q84-D86 HydrophobicContact CB-CB 4.43Å; Q84-D86 PolarHBondContact O-N 3.47Å |
| 85 | G | 57.7 | Low | 61 | Low | 64 Ų | 64 | 85.1 Ų | 85.1 | 66% | 0.66 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 6.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W81 Y82 R83 L87 | W81-G85 PolarHBondContact O-N 2.95Å; Y82-G85 PolarHBondContact O-N 2.98Å; Y82-G85 VanDerWaalsContact O-N 3.15Å; R83-G85 PolarHBondContact O-N 2.99Å; G85-L87 PolarHBondContact O-N 2.91Å |
| 86 | D | 53.9 | Low | 60.9 | Low | 109 Ų | 109 | 91.4 Ų | 91.4 | 58% | 0.583 | 44% | 0.44 | S | S | * | . | trans | -73.6 | -18 | -179.5 | -158.9 | -104.6 | 0 | 0 | 0 | 111.7 | W81 Q84 | W81-D86 WeakPolarHBondContact CZ3-OD1 3.2Å; W81-D86 PolarHBondContact O-N 3.39Å; Q84-D86 HydrophobicContact CB-CB 4.43Å; Q84-D86 PolarHBondContact O-N 3.47Å | ||
| 87 | L | 53.7 | Low | 60.8 | Low | 17 Ų | 17 | 96.8 Ų | 96.8 | 9% | 0.089 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -104.8 | 113.5 | -171.6 | -139.5 | 71.9 | 0 | 0 | 0 | 112.2 | W81 G85 F91 | W81-L87 HydrophobicContact CB-CD1 4.18Å; W81-L87 HydrophobicContact CB-CD2 4.46Å; W81-L87 HydrophobicContact CE3-CD1 3.86Å; G85-L87 PolarHBondContact O-N 2.91Å; L87-F91 HydrophobicContact CD1-CB 4.25Å; L87-F91 HydrophobicContact CD1-CD1 3.88Å; L87-F91 HydrophobicContact CD1-CD2 3.67Å; L87-F91 HydrophobicContact CD1-CE1 4.07Å; L87-F91 HydrophobicContact CD1-CE2 3.87Å; L87-F91 HydrophobicContact CD1-CG 3.68Å; L87-F91 HydrophobicContact CD1-CZ 4.06Å; L87-F91 HydrophobicContact CD2-CB 3.3Å; L87-F91 HydrophobicContact CD2-CD1 3.82Å; L87-F91 HydrophobicContact CD2-CD2 4.33Å; L87-F91 HydrophobicContact CD2-CG 3.59Å; L87-F91 HydrophobicContact CG-CB 3.42Å; L87-F91 VanDerWaalsContact CG-CB 3.42Å; L87-F91 HydrophobicContact CG-CD1 3.98Å; L87-F91 HydrophobicContact CG-CD2 3.64Å; L87-F91 HydrophobicContact CG-CE2 4.35Å; L87-F91 HydrophobicContact CG-CG 3.42Å; L87-F91 VanDerWaalsContact CG-CG 3.42Å |
| 88 | E | 57 | Low | 60.9 | Low | 112 Ų | 112 | 94.6 Ų | 94.6 | 52% | 0.523 | 44% | 0.442 | S | S | . | . | trans | -55.9 | 147.6 | 173.3 | -75.1 | -171.6 | 174.9 | 0 | 0 | 111.7 | K90 F91 | E88-K90 PolarHBondContact O-N 3.24Å; E88-K90 WeakPolarHBondContact OE2-CD 3.42Å; E88-K90 WeakPolarHBondContact OE2-CE 3.15Å; E88-K90 IonicContact OE2-NZ 3.64Å; E88-K90 PolarHBondContact OE2-NZ 3.46Å; E88-F91 PolarHBondContact O-N 3.44Å | ||
| 89 | P | 54.5 | Low | 61 | Low | 83 Ų | 83 | 97.7 Ų | 97.7 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -55.6 | -12.6 | -179.9 | 19.1 | -31.7 | 0 | 0 | 0 | 115.5 | F91 R92 | P89-F91 VanDerWaalsContact C-N 3.35Å; P89-R92 PolarHBondContact O-NE 3.19Å |
| 90 | K | 53.8 | Low | 61.1 | Low | 151 Ų | 151 | 98.5 Ų | 98.5 | 66% | 0.657 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -68 | -27.5 | 173.4 | -58.1 | 178.1 | -169.1 | 142.9 | 0 | 113.1 | E88 R92 N93 | E88-K90 PolarHBondContact O-N 3.24Å; E88-K90 WeakPolarHBondContact OE2-CD 3.42Å; E88-K90 WeakPolarHBondContact OE2-CE 3.15Å; E88-K90 IonicContact OE2-NZ 3.64Å; E88-K90 PolarHBondContact OE2-NZ 3.46Å; K90-R92 PolarHBondContact O-N 2.92Å; K90-N93 PolarHBondContact O-N 3.02Å |
| 91 | F | 58 | Low | 61.1 | Low | 92 Ų | 92 | 96.9 Ų | 96.9 | 40% | 0.404 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -73.9 | -7.9 | 177.7 | -97 | -90.4 | 0 | 0 | 0 | 114.3 | L87 E88 P89 N93 L94 I95 | L87-F91 HydrophobicContact CD1-CB 4.25Å; L87-F91 HydrophobicContact CD1-CD1 3.88Å; L87-F91 HydrophobicContact CD1-CD2 3.67Å; L87-F91 HydrophobicContact CD1-CE1 4.07Å; L87-F91 HydrophobicContact CD1-CE2 3.87Å; L87-F91 HydrophobicContact CD1-CG 3.68Å; L87-F91 HydrophobicContact CD1-CZ 4.06Å; L87-F91 HydrophobicContact CD2-CB 3.3Å; L87-F91 HydrophobicContact CD2-CD1 3.82Å; L87-F91 HydrophobicContact CD2-CD2 4.33Å; L87-F91 HydrophobicContact CD2-CG 3.59Å; L87-F91 HydrophobicContact CG-CB 3.42Å; L87-F91 VanDerWaalsContact CG-CB 3.42Å; L87-F91 HydrophobicContact CG-CD1 3.98Å; L87-F91 HydrophobicContact CG-CD2 3.64Å; L87-F91 HydrophobicContact CG-CE2 4.35Å; L87-F91 HydrophobicContact CG-CG 3.42Å; L87-F91 VanDerWaalsContact CG-CG 3.42Å; E88-F91 PolarHBondContact O-N 3.44Å; P89-F91 VanDerWaalsContact C-N 3.35Å; F91-N93 PolarHBondContact O-N 3.5Å; F91-L94 HydrophobicContact CD1-CB 3.94Å; F91-L94 HydrophobicContact CD1-CD1 4.07Å; F91-L94 HydrophobicContact CD1-CD2 4.37Å; F91-L94 HydrophobicContact CD1-CG 4.35Å; F91-L94 HydrophobicContact CE1-CD1 3.94Å; F91-L94 WeakPolarHBondContact O-CA 3.48Å; F91-L94 VanDerWaalsContact O-CB 3.25Å; F91-L94 WeakPolarHBondContact O-CB 3.45Å; F91-L94 PolarHBondContact O-N 3.35Å; F91-I95 PolarHBondContact O-N 2.87Å |
| 92 | R | 61.2 | Low | 61.3 | Low | 121 Ų | 121 | 93.1 Ų | 93.1 | 46% | 0.457 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.1 | -35.5 | 168.5 | -82 | -177.5 | -77.6 | -161.5 | -1.9 | 111.9 | P89 K90 L94 I95 Y96 | P89-R92 PolarHBondContact O-NE 3.19Å; K90-R92 PolarHBondContact O-N 2.92Å; R92-L94 PolarHBondContact O-N 2.87Å; R92-I95 PolarHBondContact O-N 3.31Å; R92-Y96 HydrophobicContact CB-CE2 4.47Å; R92-Y96 WeakPolarHBondContact O-CD2 3.34Å; R92-Y96 PolarHBondContact O-N 2.92Å |
| 93 | N | 59.6 | Low | 61.7 | Low | 119 Ų | 119 | 93.5 Ų | 93.5 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.3 | -29.4 | 173.6 | -72.4 | -5.1 | 0 | 0 | 0 | 112 | K90 F91 Y97 | K90-N93 PolarHBondContact O-N 3.02Å; F91-N93 PolarHBondContact O-N 3.5Å; N93-Y97 WeakPolarHBondContact O-CB 3.48Å; N93-Y97 PolarHBondContact O-N 2.89Å |
| 94 | L | 65.6 | Low | 61.9 | Low | 78 Ų | 78 | 92.2 Ų | 92.2 | 41% | 0.408 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.8 | -35.6 | 176.8 | -153.9 | 129.7 | 0 | 0 | 0 | 112.1 | L78 F91 R92 Y97 M98 | L78-L94 HydrophobicContact CD1-CD2 3.91Å; L78-L94 HydrophobicContact CD2-CB 4.23Å; L78-L94 HydrophobicContact CD2-CD2 3.5Å; L78-L94 HydrophobicContact CD2-CG 4.46Å; L78-L94 HydrophobicContact CG-CD2 4.19Å; F91-L94 HydrophobicContact CD1-CB 3.94Å; F91-L94 HydrophobicContact CD1-CD1 4.07Å; F91-L94 HydrophobicContact CD1-CD2 4.37Å; F91-L94 HydrophobicContact CD1-CG 4.35Å; F91-L94 HydrophobicContact CE1-CD1 3.94Å; F91-L94 WeakPolarHBondContact O-CA 3.48Å; F91-L94 VanDerWaalsContact O-CB 3.25Å; F91-L94 WeakPolarHBondContact O-CB 3.45Å; F91-L94 PolarHBondContact O-N 3.35Å; R92-L94 PolarHBondContact O-N 2.87Å; L94-Y97 PolarHBondContact O-N 3.01Å; L94-M98 WeakPolarHBondContact O-CB 3.49Å; L94-M98 PolarHBondContact O-N 3.38Å |
| 95 | I | 70.6 | Confident | 62.1 | Low | 39 Ų | 39 | 88.5 Ų | 88.5 | 20% | 0.2 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 170.5 | -59.5 | 174.5 | 0 | 0 | 0 | 110.2 | L78 F91 R92 Y97 M98 L99 | L78-I95 HydrophobicContact CB-CG1 4.3Å; L78-I95 HydrophobicContact CD2-CB 4.38Å; L78-I95 HydrophobicContact CD2-CD1 4.39Å; L78-I95 HydrophobicContact CD2-CG1 3.37Å; L78-I95 HydrophobicContact CG-CG1 4.49Å; F91-I95 PolarHBondContact O-N 2.87Å; R92-I95 PolarHBondContact O-N 3.31Å; I95-Y97 VanDerWaalsContact C-N 3.31Å; I95-Y97 PolarHBondContact O-N 2.91Å; I95-M98 PolarHBondContact O-N 3.38Å; I95-L99 HydrophobicContact CG2-CD1 4.26Å; I95-L99 PolarHBondContact O-N 3.46Å |
| 96 | Y | 63.4 | Low | 62.4 | Low | 158 Ų | 158 | 88 Ų | 88 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.4 | -40.1 | 174.4 | -75.1 | -63.2 | 0 | 0 | 0 | 112 | R92 L99 A100 | R92-Y96 HydrophobicContact CB-CE2 4.47Å; R92-Y96 WeakPolarHBondContact O-CD2 3.34Å; R92-Y96 PolarHBondContact O-N 2.92Å; Y96-L99 PolarHBondContact O-N 3.44Å; Y96-A100 WeakPolarHBondContact O-CB 3.18Å; Y96-A100 PolarHBondContact O-N 2.98Å |
| 97 | Y | 64.1 | Low | 62.8 | Low | 180 Ų | 180 | 87.4 Ų | 87.4 | 71% | 0.706 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 175 | -132.6 | -90.8 | 0 | 0 | 0 | 111 | N93 L94 I95 L99 A100 T101 | N93-Y97 WeakPolarHBondContact O-CB 3.48Å; N93-Y97 PolarHBondContact O-N 2.89Å; L94-Y97 PolarHBondContact O-N 3.01Å; I95-Y97 VanDerWaalsContact C-N 3.31Å; I95-Y97 PolarHBondContact O-N 2.91Å; Y97-L99 PolarHBondContact O-N 2.97Å; Y97-A100 WeakPolarHBondContact O-CB 3.37Å; Y97-A100 PolarHBondContact O-N 3.27Å; Y97-A100 VanDerWaalsContact O-N 3.14Å; Y97-T101 PolarHBondContact O-N 3.46Å; Y97-T101 PolarHBondContact O-OG1 3.3Å |
| 98 | M | 67.5 | Low | 63.2 | Low | 32 Ų | 32 | 89.6 Ų | 89.6 | 16% | 0.158 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 177.6 | -85.2 | -66.5 | -66.4 | 0 | 0 | 113.3 | A71 S74 L94 I95 T101 I102 | A71-M98 HydrophobicContact CB-CE 4.31Å; A71-M98 VanDerWaalsContact O-CE 3.23Å; A71-M98 WeakPolarHBondContact O-CE 3.31Å; S74-M98 WeakPolarHBondContact OG-CE 3.2Å; L94-M98 WeakPolarHBondContact O-CB 3.49Å; L94-M98 PolarHBondContact O-N 3.38Å; I95-M98 PolarHBondContact O-N 3.38Å; M98-T101 PolarHBondContact O-N 3.49Å; M98-I102 VanDerWaalsContact O-CG1 3.29Å; M98-I102 WeakPolarHBondContact O-CG1 3.28Å; M98-I102 PolarHBondContact O-N 2.89Å |
| 99 | L | 65.2 | Low | 63.4 | Low | 86 Ų | 86 | 85 Ų | 85 | 45% | 0.45 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 173.8 | -79.2 | 167 | 0 | 0 | 0 | 111.8 | I95 Y96 Y97 T101 I102 V103 | I95-L99 HydrophobicContact CG2-CD1 4.26Å; I95-L99 PolarHBondContact O-N 3.46Å; Y96-L99 PolarHBondContact O-N 3.44Å; Y97-L99 PolarHBondContact O-N 2.97Å; L99-T101 VanDerWaalsContact C-N 3.32Å; L99-T101 PolarHBondContact O-N 3.47Å; L99-I102 PolarHBondContact O-N 3.28Å; L99-V103 WeakPolarHBondContact O-CG2 3.4Å; L99-V103 PolarHBondContact O-N 2.93Å |
| 100 | A | 67.3 | Low | 63.6 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y96 Y97 I102 V103 L104 | Y96-A100 WeakPolarHBondContact O-CB 3.18Å; Y96-A100 PolarHBondContact O-N 2.98Å; Y97-A100 WeakPolarHBondContact O-CB 3.37Å; Y97-A100 PolarHBondContact O-N 3.27Å; Y97-A100 VanDerWaalsContact O-N 3.14Å; A100-I102 VanDerWaalsContact C-N 3.35Å; A100-I102 PolarHBondContact O-N 3.15Å; A100-V103 PolarHBondContact O-N 3.45Å; A100-L104 WeakPolarHBondContact O-CB 3.11Å; A100-L104 PolarHBondContact O-N 3.47Å |
| 101 | T | 66 | Low | 63.9 | Low | 76 Ų | 76 | 83.8 Ų | 83.8 | 47% | 0.466 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 175.6 | -23.9 | 0 | 0 | 0 | 0 | 112.1 | Y97 M98 L99 L104 L105 | Y97-T101 PolarHBondContact O-N 3.46Å; Y97-T101 PolarHBondContact O-OG1 3.3Å; M98-T101 PolarHBondContact O-N 3.49Å; L99-T101 VanDerWaalsContact C-N 3.32Å; L99-T101 PolarHBondContact O-N 3.47Å; T101-L104 PolarHBondContact O-N 3.26Å; T101-L105 VanDerWaalsContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.49Å; T101-L105 PolarHBondContact O-N 3.39Å |
| 102 | I | 68.9 | Low | 64 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 21% | 0.21 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 175.8 | -69.9 | 163.2 | 0 | 0 | 0 | 110.9 | A71 M98 L99 A100 L104 L105 C106 | A71-I102 HydrophobicContact CB-CD1 4.17Å; A71-I102 HydrophobicContact CB-CG1 3.66Å; M98-I102 VanDerWaalsContact O-CG1 3.29Å; M98-I102 WeakPolarHBondContact O-CG1 3.28Å; M98-I102 PolarHBondContact O-N 2.89Å; L99-I102 PolarHBondContact O-N 3.28Å; A100-I102 VanDerWaalsContact C-N 3.35Å; A100-I102 PolarHBondContact O-N 3.15Å; I102-L104 VanDerWaalsContact C-N 3.34Å; I102-L104 PolarHBondContact O-N 2.85Å; I102-L105 PolarHBondContact O-N 3.29Å; I102-C106 PolarHBondContact O-N 2.77Å |
| 103 | V | 65.9 | Low | 63.8 | Low | 88 Ų | 88 | 83.8 Ų | 83.8 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L99 A100 C106 L107 | L99-V103 WeakPolarHBondContact O-CG2 3.4Å; L99-V103 PolarHBondContact O-N 2.93Å; A100-V103 PolarHBondContact O-N 3.45Å; V103-C106 PolarHBondContact O-N 3.21Å; V103-L107 HydrophobicContact CG1-CD1 4.49Å; V103-L107 WeakPolarHBondContact O-CB 3.21Å; V103-L107 PolarHBondContact O-N 2.79Å |
| 104 | L | 64.3 | Low | 63.6 | Low | 114 Ų | 114 | 86.5 Ų | 86.5 | 60% | 0.597 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.9 | -38.5 | 179.7 | -148.5 | 152.5 | 0 | 0 | 0 | 111.5 | A100 T101 I102 L107 C108 | A100-L104 WeakPolarHBondContact O-CB 3.11Å; A100-L104 PolarHBondContact O-N 3.47Å; T101-L104 PolarHBondContact O-N 3.26Å; I102-L104 VanDerWaalsContact C-N 3.34Å; I102-L104 PolarHBondContact O-N 2.85Å; L104-L107 PolarHBondContact O-N 2.83Å; L104-C108 PolarHBondContact O-N 2.85Å |
| 105 | L | 66.9 | Low | 62.8 | Low | 42 Ų | 42 | 89.5 Ų | 89.5 | 22% | 0.22 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 172.8 | -171.2 | 78.6 | 0 | 0 | 0 | 111.5 | F64 C67 I68 T101 I102 L107 C108 A109 | F64-L105 HydrophobicContact CD1-CD1 4.14Å; F64-L105 HydrophobicContact CD1-CG 4.1Å; F64-L105 HydrophobicContact CE1-CD1 3.84Å; F64-L105 HydrophobicContact CE1-CG 3.99Å; F64-L105 WeakPolarHBondContact CE1-O 3.32Å; C67-L105 HydrophobicContact CB-CD1 3.97Å; C67-L105 HydrophobicContact CB-CD2 3.55Å; C67-L105 HydrophobicContact CB-CG 4.38Å; I68-L105 HydrophobicContact CG1-CD2 3.72Å; T101-L105 VanDerWaalsContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.49Å; T101-L105 PolarHBondContact O-N 3.39Å; I102-L105 PolarHBondContact O-N 3.29Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 3.35Å; L105-C108 PolarHBondContact O-N 3.43Å; L105-A109 PolarHBondContact O-N 3.31Å |
| 106 | C | 62.4 | Low | 61.8 | Low | 52 Ų | 52 | 92.1 Ų | 92.1 | 35% | 0.351 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 173.6 | -90.6 | 0 | 0 | 0 | 0 | 112.4 | I102 V103 A109 N110 | I102-C106 PolarHBondContact O-N 2.77Å; V103-C106 PolarHBondContact O-N 3.21Å; C106-A109 PolarHBondContact O-N 3.44Å; C106-N110 WeakPolarHBondContact O-CB 3.38Å; C106-N110 PolarHBondContact O-N 3.44Å; C106-N110 PolarHBondContact O-ND2 3.03Å |
| 107 | L | 63.6 | Low | 60.8 | Low | 97 Ų | 97 | 98.6 Ų | 98.6 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 175 | -110.9 | 159.6 | 0 | 0 | 0 | 111.4 | V103 L104 L105 A109 N110 L111 | V103-L107 HydrophobicContact CG1-CD1 4.49Å; V103-L107 WeakPolarHBondContact O-CB 3.21Å; V103-L107 PolarHBondContact O-N 2.79Å; L104-L107 PolarHBondContact O-N 2.83Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 3.35Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.87Å; L107-N110 PolarHBondContact O-N 2.89Å; L107-L111 HydrophobicContact CD2-CD1 4.38Å; L107-L111 WeakPolarHBondContact O-CB 3.34Å; L107-L111 WeakPolarHBondContact O-CG 3.3Å; L107-L111 PolarHBondContact O-N 2.91Å |
| 108 | C | 62 | Low | 60.6 | Low | 64 Ų | 64 | 94.6 Ų | 94.6 | 43% | 0.432 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 172.6 | -82.6 | 0 | 0 | 0 | 0 | 112.2 | F64 L104 L105 Y112 | F64-C108 HydrophobicContact CE1-CB 4.39Å; F64-C108 HydrophobicContact CZ-CB 4.16Å; L104-C108 PolarHBondContact O-N 2.85Å; L105-C108 PolarHBondContact O-N 3.43Å; C108-Y112 VanDerWaalsContact O-CB 3.29Å; C108-Y112 WeakPolarHBondContact O-CB 3.37Å; C108-Y112 PolarHBondContact O-N 3.41Å |
| 109 | A | 60.8 | Low | 60.3 | Low | 16 Ų | 16 | 97.8 Ų | 97.8 | 13% | 0.132 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -64 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F64 L105 C106 L107 Y112 F113 | F64-A109 HydrophobicContact CD1-CB 3.79Å; F64-A109 HydrophobicContact CE1-CB 3.59Å; F64-A109 HydrophobicContact CE2-CB 4.46Å; F64-A109 HydrophobicContact CG-CB 4.32Å; F64-A109 HydrophobicContact CZ-CB 3.95Å; L105-A109 PolarHBondContact O-N 3.31Å; C106-A109 PolarHBondContact O-N 3.44Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.87Å; A109-Y112 PolarHBondContact O-N 2.95Å; A109-F113 VanDerWaalsContact O-CD2 3.22Å; A109-F113 WeakPolarHBondContact O-CD2 3.21Å; A109-F113 PolarHBondContact O-N 3.45Å |
| 110 | N | 57.7 | Low | 60 | Low | 98 Ų | 98 | 98.5 Ų | 98.5 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 178.4 | -83.8 | -70.6 | 0 | 0 | 0 | 111.9 | C106 L107 Y112 F113 F114 | C106-N110 WeakPolarHBondContact O-CB 3.38Å; C106-N110 PolarHBondContact O-N 3.44Å; C106-N110 PolarHBondContact O-ND2 3.03Å; L107-N110 PolarHBondContact O-N 2.89Å; N110-Y112 VanDerWaalsContact C-N 3.29Å; N110-Y112 PolarHBondContact O-N 3.4Å; N110-F113 PolarHBondContact O-N 2.68Å; N110-F114 WeakPolarHBondContact O-CB 3.37Å; N110-F114 PolarHBondContact O-N 2.9Å |
| 111 | L | 61.8 | Low | 59.6 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -40.2 | 174.3 | -78 | 167.6 | 0 | 0 | 0 | 111.1 | L107 F113 F114 D115 | L107-L111 HydrophobicContact CD2-CD1 4.38Å; L107-L111 WeakPolarHBondContact O-CB 3.34Å; L107-L111 WeakPolarHBondContact O-CG 3.3Å; L107-L111 PolarHBondContact O-N 2.91Å; L111-F113 PolarHBondContact O-N 3.26Å; L111-F114 PolarHBondContact O-N 2.99Å; L111-D115 WeakPolarHBondContact O-CB 3.49Å; L111-D115 PolarHBondContact O-N 3.23Å |
| 112 | Y | 60.4 | Low | 59.2 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 28% | 0.275 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 175.9 | 179.3 | -98.3 | 0 | 0 | 0 | 113.1 | L60 C108 A109 N110 V116 | L60-Y112 HydrophobicContact CD1-CE2 4.39Å; L60-Y112 WeakPolarHBondContact CD1-OH 3.47Å; C108-Y112 VanDerWaalsContact O-CB 3.29Å; C108-Y112 WeakPolarHBondContact O-CB 3.37Å; C108-Y112 PolarHBondContact O-N 3.41Å; A109-Y112 PolarHBondContact O-N 2.95Å; N110-Y112 VanDerWaalsContact C-N 3.29Å; N110-Y112 PolarHBondContact O-N 3.4Å; Y112-V116 PolarHBondContact O-N 3.27Å |
| 113 | F | 55.6 | Low | 58.5 | Low | 142 Ų | 142 | 106.6 Ų | 106.6 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71 | -31 | 172.7 | -83.7 | -70.4 | 0 | 0 | 0 | 113.1 | A109 N110 L111 | A109-F113 VanDerWaalsContact O-CD2 3.22Å; A109-F113 WeakPolarHBondContact O-CD2 3.21Å; A109-F113 PolarHBondContact O-N 3.45Å; N110-F113 PolarHBondContact O-N 2.68Å; L111-F113 PolarHBondContact O-N 3.26Å |
| 114 | F | 56.3 | Low | 58 | Low | 176 Ų | 176 | 107.9 Ų | 107.9 | 77% | 0.772 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -85.7 | -30.7 | -179.3 | -116.6 | -87.9 | 0 | 0 | 0 | 114 | N110 L111 V116 | N110-F114 WeakPolarHBondContact O-CB 3.37Å; N110-F114 PolarHBondContact O-N 2.9Å; L111-F114 PolarHBondContact O-N 2.99Å; F114-V116 VanDerWaalsContact C-N 3.34Å |
| 115 | D | 48.5 | Very low | 57.5 | Low | 142 Ų | 142 | 107.5 Ų | 107.5 | 76% | 0.759 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -81.5 | -13.9 | 177.1 | -167.5 | 67.9 | 0 | 0 | 0 | 112.2 | L111 R117 | L111-D115 WeakPolarHBondContact O-CB 3.49Å; L111-D115 PolarHBondContact O-N 3.23Å; D115-R117 PolarHBondContact O-N 2.98Å |
| 116 | V | 50.2 | Low | 56.7 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | trans | -90.4 | 45.2 | 165.5 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | Y112 F114 | Y112-V116 PolarHBondContact O-N 3.27Å; F114-V116 VanDerWaalsContact C-N 3.34Å | ||
| 117 | R | 41.7 | Very low | 56.2 | Low | 294 Ų | 294 | 118.5 Ų | 118.5 | 100% | 1.109 | 57% | 0.571 | S | S | * | * | trans | -133.4 | 0 | 159.4 | -169.1 | 168.5 | -171.1 | 139 | 2.5 | 111.6 | D115 | D115-R117 PolarHBondContact O-N 2.98Š|
Retrieved 117 of 117 residues in 332.7 ms
(Link to these results)