| 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 | 45.6 | Very low | 52.6 | Low | 241 Ų | 241 | 160.1 Ų | 160.1 | 100% | 1.187 | 82% | 0.816 | S | S | * | * | 0 | 99.6 | 0 | -72.6 | -125.8 | -81.9 | 0 | 0 | 107.2 | E3 | M1-E3 PolarHBondContact O-N 3.31Š| |||
| 2 | G | 55.8 | Low | 51.9 | Low | 80 Ų | 80 | 167.1 Ų | 167.1 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -75 | 110.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N4 | G2-N4 PolarHBondContact O-N 3.39Å; G2-N4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | E | 51.5 | Low | 51 | Low | 146 Ų | 146 | 170.5 Ų | 170.5 | 68% | 0.682 | 83% | 0.833 | S | S | * | * | trans | -67.9 | 104.3 | 177.7 | -156.5 | 173 | -136 | 0 | 0 | 108.2 | M1 R5 | M1-E3 PolarHBondContact O-N 3.31Å; E3-R5 HydrophobicContact CG-CG 4.44Å; E3-R5 PolarHBondContact O-N 3.13Å; E3-R5 IonicContact OE2-CZ 3.4Å; E3-R5 IonicContact OE2-NE 3.05Å; E3-R5 PolarHBondContact OE2-NE 2.94Å; E3-R5 IonicContact OE2-NH2 2.83Å; E3-R5 PolarHBondContact OE2-NH2 3.49Å | ||
| 4 | N | 59.9 | Low | 50.3 | Low | 164 Ų | 164 | 163.2 Ų | 163.2 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -70.4 | 75.5 | 179.7 | -121 | -32.9 | 0 | 0 | 0 | 109 | G2 | G2-N4 PolarHBondContact O-N 3.39Å; G2-N4 VanDerWaalsContact O-N 3.12Å | ||
| 5 | R | 52.9 | Low | 49.8 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -72.9 | 126 | 174.2 | -68.7 | -174.9 | -176.2 | -153.8 | -1.1 | 107.9 | E3 E7 | E3-R5 HydrophobicContact CG-CG 4.44Å; E3-R5 PolarHBondContact O-N 3.13Å; E3-R5 IonicContact OE2-CZ 3.4Å; E3-R5 IonicContact OE2-NE 3.05Å; E3-R5 PolarHBondContact OE2-NE 2.94Å; E3-R5 IonicContact OE2-NH2 2.83Å; E3-R5 PolarHBondContact OE2-NH2 3.49Å; R5-E7 PolarHBondContact O-N 3.22Å | ||
| 6 | P | 58 | Low | 49.6 | Very low | 129 Ų | 129 | 159.3 Ų | 159.3 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -60.8 | 112 | 177.1 | 23 | -30.9 | 0 | 0 | 0 | 108.9 | R8 | P6-R8 PolarHBondContact O-N 3.35Š| ||
| 7 | E | 55.4 | Low | 49.4 | Very low | 187 Ų | 187 | 163 Ų | 163 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 122.9 | 173.5 | -100.3 | -175.2 | 155.3 | 0 | 0 | 108.7 | R5 | R5-E7 PolarHBondContact O-N 3.22Š|
| 8 | R | 48.8 | Very low | 49.4 | Very low | 201 Ų | 201 | 165.7 Ų | 165.7 | 76% | 0.758 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 128 | 174.9 | -178.8 | 178.4 | -116.6 | 175.6 | -3 | 107.9 | P6 | P6-R8 PolarHBondContact O-N 3.35Š|
| 9 | P | 49 | Very low | 49.6 | Very low | 105 Ų | 105 | 162.3 Ų | 162.3 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 139.6 | -179.7 | -25.7 | 32.1 | 0 | 0 | 0 | 111.2 | R11 | P9-R11 PolarHBondContact O-N 2.89Å; P9-R11 VanDerWaalsContact O-N 3.15Å |
| 10 | P | 50 | Low | 49.6 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59 | 122.4 | -177.1 | 22.9 | -31.2 | 0 | 0 | 0 | 109.1 | R12 | P10-R12 PolarHBondContact O-N 3.46Š|
| 11 | R | 51.7 | Low | 49.7 | Very low | 196 Ų | 196 | 157.6 Ų | 157.6 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -59.1 | 114.9 | 171 | -63.6 | -171.6 | -135.8 | -161.9 | 6.1 | 106.3 | P9 F13 | P9-R11 PolarHBondContact O-N 2.89Å; P9-R11 VanDerWaalsContact O-N 3.15Å; R11-F13 WeakPolarHBondContact O-CD2 3.4Å; R11-F13 PolarHBondContact O-N 3.17Å | ||
| 12 | R | 44 | Very low | 50.4 | Low | 244 Ų | 244 | 155 Ų | 155 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -47.4 | 104.1 | 170 | -93.5 | -175.9 | 171.9 | -142.3 | 2 | 108.3 | P10 G14 | P10-R12 PolarHBondContact O-N 3.46Å; R12-G14 PolarHBondContact O-N 3Å | ||
| 13 | F | 40.5 | Very low | 50.9 | Low | 211 Ų | 211 | 153.9 Ų | 153.9 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -73 | 104.9 | 167.1 | -90.3 | -92.9 | 0 | 0 | 0 | 106.2 | R11 | R11-F13 WeakPolarHBondContact O-CD2 3.4Å; R11-F13 PolarHBondContact O-N 3.17Å | ||
| 14 | G | 40.8 | Very low | 51.9 | Low | 69 Ų | 69 | 149.4 Ų | 149.4 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 135.3 | 108.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R12 | R12-G14 PolarHBondContact O-N 3Š|
| 15 | G | 43 | Very low | 52.9 | Low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 119.1 | -60.1 | 143 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 16 | Q | 47.2 | Very low | 54.1 | Low | 188 Ų | 188 | 139.8 Ų | 139.8 | 88% | 0.879 | 71% | 0.707 | S | S | * | * | trans | -128.8 | 93.9 | -174.8 | -89.3 | 113.4 | 1 | 0 | 0 | 111.5 | Y18 | Q16-Y18 PolarHBondContact O-N 3.06Å; Q16-Y18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | R | 46.4 | Very low | 55.2 | Low | 222 Ų | 222 | 138.5 Ų | 138.5 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | -61.4 | 110.7 | 157 | -79.2 | -177.8 | 170.4 | -176.7 | -2.2 | 107.1 | Q19 | R17-Q19 HydrophobicContact CB-CG 4.23Å; R17-Q19 PolarHBondContact O-N 3.23Å | ||
| 18 | Y | 48.6 | Very low | 56.7 | Low | 212 Ų | 212 | 134.4 Ų | 134.4 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | trans | -53.6 | 110.7 | 158.7 | -161.4 | -97.2 | 0 | 0 | 0 | 106.7 | Q16 P20 | Q16-Y18 PolarHBondContact O-N 3.06Å; Q16-Y18 VanDerWaalsContact O-N 3.11Å; Y18-P20 VanDerWaalsContact C-CD 3.44Å; Y18-P20 WeakPolarHBondContact O-CD 3.29Å | ||
| 19 | Q | 52.8 | Low | 58.3 | Low | 100 Ų | 100 | 129.8 Ų | 129.8 | 47% | 0.467 | 67% | 0.667 | S | S | . | * | trans | -105.4 | 86 | -178 | -76.7 | -175.6 | 3.8 | 0 | 0 | 109 | R17 L21 R22 | R17-Q19 HydrophobicContact CB-CG 4.23Å; R17-Q19 PolarHBondContact O-N 3.23Å; Q19-L21 PolarHBondContact O-N 3.18Å; Q19-L21 VanDerWaalsContact O-N 3.08Å; Q19-R22 HydrophobicContact CB-CB 4.33Å; Q19-R22 PolarHBondContact O-N 3.41Å; Q19-R22 VanDerWaalsContact O-N 3.08Å | ||
| 20 | P | 50.6 | Low | 60.1 | Low | 75 Ų | 75 | 126.1 Ų | 126.1 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -57.7 | -27.5 | -177.4 | 7.1 | -15.1 | 0 | 0 | 0 | 113.4 | Y18 S23 A24 | Y18-P20 VanDerWaalsContact C-CD 3.44Å; Y18-P20 WeakPolarHBondContact O-CD 3.29Å; P20-S23 PolarHBondContact O-OG 2.91Å; P20-A24 PolarHBondContact O-N 3.3Å |
| 21 | L | 52.1 | Low | 61.8 | Low | 151 Ų | 151 | 124.4 Ų | 124.4 | 79% | 0.791 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70 | -34.1 | 179 | -84.4 | 80.5 | 0 | 0 | 0 | 113.2 | Q19 G25 | Q19-L21 PolarHBondContact O-N 3.18Å; Q19-L21 VanDerWaalsContact O-N 3.08Å; L21-G25 PolarHBondContact O-N 3.4Å; L21-G25 VanDerWaalsContact O-N 3.14Å |
| 22 | R | 59 | Low | 63.4 | Low | 186 Ų | 186 | 121.3 Ų | 121.3 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.2 | -40.1 | 178.8 | -84.6 | -161.5 | 175 | -149.5 | -2.9 | 111.6 | Q19 G25 L26 | Q19-R22 HydrophobicContact CB-CB 4.33Å; Q19-R22 PolarHBondContact O-N 3.41Å; Q19-R22 VanDerWaalsContact O-N 3.08Å; R22-G25 PolarHBondContact O-N 3.03Å; R22-L26 WeakPolarHBondContact O-CG 3.39Å; R22-L26 PolarHBondContact O-N 3.33Å; R22-L26 VanDerWaalsContact O-N 3.11Å |
| 23 | S | 66.3 | Low | 65.3 | Low | 57 Ų | 57 | 110.3 Ų | 110.3 | 40% | 0.399 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.9 | -39.8 | 177.3 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | P20 G25 L26 L27 | P20-S23 PolarHBondContact O-OG 2.91Å; S23-G25 VanDerWaalsContact C-N 3.35Å; S23-G25 PolarHBondContact O-N 3.12Å; S23-L26 PolarHBondContact O-N 3.41Å; S23-L27 PolarHBondContact O-N 2.99Å; S23-L27 VanDerWaalsContact O-N 3.13Å |
| 24 | A | 73.9 | Confident | 67.4 | Low | 52 Ų | 52 | 103.1 Ų | 103.1 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P20 L26 L27 V28 | P20-A24 PolarHBondContact O-N 3.3Å; A24-L26 PolarHBondContact O-N 3.06Å; A24-L27 PolarHBondContact O-N 3.13Å; A24-V28 WeakPolarHBondContact O-CG2 3.34Å; A24-V28 PolarHBondContact O-N 3.35Å |
| 25 | G | 79.2 | Confident | 69.6 | Low | 40 Ų | 40 | 104.7 Ų | 104.7 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L21 R22 S23 V28 E29 | L21-G25 PolarHBondContact O-N 3.4Å; L21-G25 VanDerWaalsContact O-N 3.14Å; R22-G25 PolarHBondContact O-N 3.03Å; S23-G25 VanDerWaalsContact C-N 3.35Å; S23-G25 PolarHBondContact O-N 3.12Å; G25-V28 PolarHBondContact O-N 2.97Å; G25-E29 PolarHBondContact O-N 3.12Å |
| 26 | L | 78.8 | Confident | 71.7 | Confident | 109 Ų | 109 | 105.4 Ų | 105.4 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 176.2 | -70.7 | 169.3 | 0 | 0 | 0 | 112.1 | R22 S23 A24 E29 V30 | R22-L26 WeakPolarHBondContact O-CG 3.39Å; R22-L26 PolarHBondContact O-N 3.33Å; R22-L26 VanDerWaalsContact O-N 3.11Å; S23-L26 PolarHBondContact O-N 3.41Å; A24-L26 PolarHBondContact O-N 3.06Å; L26-E29 PolarHBondContact O-N 2.93Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.44Å |
| 27 | L | 81.6 | Confident | 73.5 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 176.6 | -72.5 | 169.4 | 0 | 0 | 0 | 111.7 | S23 A24 E29 V30 V31 | S23-L27 PolarHBondContact O-N 2.99Å; S23-L27 VanDerWaalsContact O-N 3.13Å; A24-L27 PolarHBondContact O-N 3.13Å; L27-E29 VanDerWaalsContact C-N 3.28Å; L27-E29 PolarHBondContact O-N 2.93Å; L27-V30 PolarHBondContact O-N 3.4Å; L27-V31 WeakPolarHBondContact O-CB 3.36Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.34Å; L27-V31 PolarHBondContact O-N 3.4Å |
| 28 | V | 85.7 | Confident | 75.2 | Confident | 101 Ų | 101 | 92.8 Ų | 92.8 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.9 | -42.1 | 174.4 | 172 | 0 | 0 | 0 | 0 | 110.6 | A24 G25 V31 R32 | A24-V28 WeakPolarHBondContact O-CG2 3.34Å; A24-V28 PolarHBondContact O-N 3.35Å; G25-V28 PolarHBondContact O-N 2.97Å; V28-V31 PolarHBondContact O-N 2.94Å; V28-R32 VanDerWaalsContact O-CB 3.24Å; V28-R32 WeakPolarHBondContact O-CB 3.44Å; V28-R32 PolarHBondContact O-N 3.29Å |
| 29 | E | 83.3 | Confident | 77 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 177.4 | -174.6 | 170.3 | -160.1 | 0 | 0 | 112.8 | G25 L26 L27 T33 | G25-E29 PolarHBondContact O-N 3.12Å; L26-E29 PolarHBondContact O-N 2.93Å; L27-E29 VanDerWaalsContact C-N 3.28Å; L27-E29 PolarHBondContact O-N 2.93Å; E29-T33 WeakPolarHBondContact O-CB 3.5Å; E29-T33 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-OG1 2.98Å |
| 30 | V | 85.8 | Confident | 78.6 | Confident | 29 Ų | 29 | 86 Ų | 86 | 18% | 0.176 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 174.3 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | L26 L27 R32 T33 L34 V46 L50 | L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.44Å; L27-V30 PolarHBondContact O-N 3.4Å; V30-R32 VanDerWaalsContact C-N 3.32Å; V30-R32 PolarHBondContact O-N 2.75Å; V30-T33 PolarHBondContact O-N 3.41Å; V30-T33 VanDerWaalsContact O-N 3.14Å; V30-L34 HydrophobicContact CG1-CD1 3.79Å; V30-L34 HydrophobicContact CG1-CG 4.41Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.2Å; V30-V46 HydrophobicContact CB-CG1 4.5Å; V30-V46 HydrophobicContact CG1-CG1 4.02Å; V30-V46 HydrophobicContact CG2-CG1 4.23Å; V30-L50 HydrophobicContact CG1-CD2 4.1Å |
| 31 | V | 85.5 | Confident | 80.4 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 177.8 | 170 | 0 | 0 | 0 | 0 | 110.6 | L27 V28 T33 L34 T35 | L27-V31 WeakPolarHBondContact O-CB 3.36Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.34Å; L27-V31 PolarHBondContact O-N 3.4Å; V28-V31 PolarHBondContact O-N 2.94Å; V31-T33 VanDerWaalsContact C-N 3.34Å; V31-T33 PolarHBondContact O-N 2.95Å; V31-L34 PolarHBondContact O-N 3Å; V31-T35 VanDerWaalsContact O-CB 3.32Å; V31-T35 WeakPolarHBondContact O-CB 3.46Å; V31-T35 PolarHBondContact O-N 3.37Å; V31-T35 PolarHBondContact O-OG1 2.98Å |
| 32 | R | 86.4 | Confident | 82 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.8 | -49.6 | 175.2 | -175 | -172.6 | 65.2 | 76.3 | 0.9 | 110.4 | V28 V30 L34 T35 T36 | V28-R32 VanDerWaalsContact O-CB 3.24Å; V28-R32 WeakPolarHBondContact O-CB 3.44Å; V28-R32 PolarHBondContact O-N 3.29Å; V30-R32 VanDerWaalsContact C-N 3.32Å; V30-R32 PolarHBondContact O-N 2.75Å; R32-L34 PolarHBondContact O-N 3.4Å; R32-T35 PolarHBondContact O-N 3.11Å; R32-T36 HydrophobicContact CG-CG2 4.4Å; R32-T36 WeakPolarHBondContact O-CB 3.4Å; R32-T36 PolarHBondContact O-N 3.44Å; R32-T36 PolarHBondContact O-OG1 3.42Å |
| 33 | T | 84.5 | Confident | 83.3 | Confident | 14 Ų | 14 | 76.4 Ų | 76.4 | 9% | 0.086 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | -176.9 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | E29 V30 V31 T35 S37 Q42 V46 | E29-T33 WeakPolarHBondContact O-CB 3.5Å; E29-T33 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-OG1 2.98Å; V30-T33 PolarHBondContact O-N 3.41Å; V30-T33 VanDerWaalsContact O-N 3.14Å; V31-T33 VanDerWaalsContact C-N 3.34Å; V31-T33 PolarHBondContact O-N 2.95Å; T33-T35 VanDerWaalsContact C-N 3.32Å; T33-T35 PolarHBondContact O-N 2.98Å; T33-S37 WeakPolarHBondContact O-CB 3.32Å; T33-S37 PolarHBondContact O-N 3.48Å; T33-Q42 HydrophobicContact CG2-CG 4.27Å; T33-V46 HydrophobicContact CG2-CG2 3.96Å |
| 34 | L | 83.6 | Confident | 84.4 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 31% | 0.309 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.4 | -31.9 | 176.6 | -68.7 | 172.3 | 0 | 0 | 0 | 112.8 | V30 V31 R32 K43 | V30-L34 HydrophobicContact CG1-CD1 3.79Å; V30-L34 HydrophobicContact CG1-CG 4.41Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.2Å; V31-L34 PolarHBondContact O-N 3Å; R32-L34 PolarHBondContact O-N 3.4Å; L34-K43 HydrophobicContact CD2-CB 3.93Å; L34-K43 HydrophobicContact CD2-CG 4.38Å; L34-K43 VanDerWaalsContact O-CD 3.32Å; L34-K43 WeakPolarHBondContact O-CD 3.37Å; L34-K43 WeakPolarHBondContact O-CE 3.43Å; L34-K43 PolarHBondContact O-NZ 3.48Å |
| 35 | T | 87.2 | Confident | 85.1 | Confident | 103 Ų | 103 | 81.6 Ų | 81.6 | 63% | 0.632 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -84.8 | -44.2 | -178.6 | -50.5 | 0 | 0 | 0 | 0 | 112 | V31 R32 T33 | V31-T35 VanDerWaalsContact O-CB 3.32Å; V31-T35 WeakPolarHBondContact O-CB 3.46Å; V31-T35 PolarHBondContact O-N 3.37Å; V31-T35 PolarHBondContact O-OG1 2.98Å; R32-T35 PolarHBondContact O-N 3.11Å; T33-T35 VanDerWaalsContact C-N 3.32Å; T33-T35 PolarHBondContact O-N 2.98Å |
| 36 | T | 87.4 | Confident | 85.5 | Confident | 90 Ų | 90 | 81 Ų | 81 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -102.8 | -14.7 | -168.8 | 70.7 | 0 | 0 | 0 | 0 | 114.7 | R32 P38 | R32-T36 HydrophobicContact CG-CG2 4.4Å; R32-T36 WeakPolarHBondContact O-CB 3.4Å; R32-T36 PolarHBondContact O-N 3.44Å; R32-T36 PolarHBondContact O-OG1 3.42Å; T36-P38 WeakPolarHBondContact O-CD 3.47Å |
| 37 | S | 84.1 | Confident | 85.9 | Confident | 10 Ų | 10 | 81.2 Ų | 81.2 | 7% | 0.07 | 44% | 0.439 | C | S | . | . | trans | -68.2 | 130.5 | 179.1 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | T33 S39 Q42 K43 | T33-S37 WeakPolarHBondContact O-CB 3.32Å; T33-S37 PolarHBondContact O-N 3.48Å; S37-S39 VanDerWaalsContact C-N 3.28Å; S37-S39 PolarHBondContact OG-N 3.49Å; S37-Q42 PolarHBondContact OG-OE1 3.36Å; S37-K43 WeakPolarHBondContact O-CE 3.44Å; S37-K43 PolarHBondContact O-NZ 2.94Å | ||
| 38 | P | 81.9 | Confident | 86.3 | Confident | 135 Ų | 135 | 83 Ų | 83 | 88% | 0.877 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -77.4 | -17.6 | 172.1 | 31.5 | -34.3 | 0 | 0 | 0 | 112.2 | T36 | T36-P38 WeakPolarHBondContact O-CD 3.47Š|
| 39 | S | 88 | Confident | 86.5 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 38% | 0.378 | 44% | 0.442 | S | S | . | . | trans | -88.9 | 112.5 | -176.4 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | S37 A41 Q42 K43 | S37-S39 VanDerWaalsContact C-N 3.28Å; S37-S39 PolarHBondContact OG-N 3.49Å; S39-A41 VanDerWaalsContact C-N 3.28Å; S39-A41 PolarHBondContact O-N 3.21Å; S39-Q42 PolarHBondContact O-N 2.93Å; S39-Q42 PolarHBondContact OG-N 2.92Å; S39-K43 PolarHBondContact O-N 3.33Å | ||
| 40 | Q | 86.5 | Confident | 86.7 | Confident | 115 Ų | 115 | 82.8 Ų | 82.8 | 54% | 0.537 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 175.1 | -178.2 | 60.8 | 15.1 | 0 | 0 | 111.8 | Q42 K43 E44 | Q40-Q42 VanDerWaalsContact C-N 3.29Å; Q40-Q42 PolarHBondContact O-N 3.28Å; Q40-K43 WeakPolarHBondContact O-CB 3.47Å; Q40-K43 PolarHBondContact O-N 2.92Å; Q40-K43 VanDerWaalsContact O-N 3.1Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.35Å; Q40-E44 PolarHBondContact NE2-OE1 3.22Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 2.97Å |
| 41 | A | 87.4 | Confident | 87.1 | Confident | 65 Ų | 65 | 86.7 Ų | 86.7 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S39 L45 | S39-A41 VanDerWaalsContact C-N 3.28Å; S39-A41 PolarHBondContact O-N 3.21Å; A41-L45 WeakPolarHBondContact O-CB 3.49Å; A41-L45 PolarHBondContact O-N 3.01Å |
| 42 | Q | 85.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 89.9 Ų | 89.9 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 176 | -171.6 | -176.2 | -1.8 | 0 | 0 | 111.6 | T33 S37 S39 Q40 L45 V46 | T33-Q42 HydrophobicContact CG2-CG 4.27Å; S37-Q42 PolarHBondContact OG-OE1 3.36Å; S39-Q42 PolarHBondContact O-N 2.93Å; S39-Q42 PolarHBondContact OG-N 2.92Å; Q40-Q42 VanDerWaalsContact C-N 3.29Å; Q40-Q42 PolarHBondContact O-N 3.28Å; Q42-L45 PolarHBondContact O-N 3.39Å; Q42-V46 WeakPolarHBondContact O-CG2 2.79Å; Q42-V46 PolarHBondContact O-N 2.9Å |
| 43 | K | 86.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 176.4 | -63.6 | -171.8 | -172.8 | -165.7 | 0 | 111.3 | L34 S37 S39 Q40 V46 K47 | L34-K43 HydrophobicContact CD2-CB 3.93Å; L34-K43 HydrophobicContact CD2-CG 4.38Å; L34-K43 VanDerWaalsContact O-CD 3.32Å; L34-K43 WeakPolarHBondContact O-CD 3.37Å; L34-K43 WeakPolarHBondContact O-CE 3.43Å; L34-K43 PolarHBondContact O-NZ 3.48Å; S37-K43 WeakPolarHBondContact O-CE 3.44Å; S37-K43 PolarHBondContact O-NZ 2.94Å; S39-K43 PolarHBondContact O-N 3.33Å; Q40-K43 WeakPolarHBondContact O-CB 3.47Å; Q40-K43 PolarHBondContact O-N 2.92Å; Q40-K43 VanDerWaalsContact O-N 3.1Å; K43-V46 PolarHBondContact O-N 3.31Å; K43-K47 WeakPolarHBondContact O-CB 3.48Å; K43-K47 PolarHBondContact O-N 3.16Å |
| 44 | E | 88.5 | Confident | 87.9 | Confident | 106 Ų | 106 | 94.8 Ų | 94.8 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 177.6 | -74.3 | 172 | -170.8 | 0 | 0 | 111.4 | Q40 V46 K47 E48 | Q40-E44 WeakPolarHBondContact CG-OE1 3.35Å; Q40-E44 PolarHBondContact NE2-OE1 3.22Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 2.97Å; E44-V46 PolarHBondContact O-N 3.32Å; E44-K47 WeakPolarHBondContact O-CB 3.41Å; E44-K47 PolarHBondContact O-N 3.44Å; E44-E48 WeakPolarHBondContact O-CB 3.26Å; E44-E48 PolarHBondContact O-N 3.31Å |
| 45 | L | 89.1 | Confident | 88.4 | Confident | 112 Ų | 112 | 94.6 Ų | 94.6 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 177 | -173.8 | 150.8 | 0 | 0 | 0 | 112.5 | A41 Q42 K49 | A41-L45 WeakPolarHBondContact O-CB 3.49Å; A41-L45 PolarHBondContact O-N 3.01Å; Q42-L45 PolarHBondContact O-N 3.39Å; L45-K49 WeakPolarHBondContact O-CB 3.5Å; L45-K49 PolarHBondContact O-N 3.47Å |
| 46 | V | 86.9 | Confident | 88.7 | Confident | 27 Ų | 27 | 92 Ų | 92 | 16% | 0.164 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | V30 T33 Q42 K43 E44 L50 | V30-V46 HydrophobicContact CB-CG1 4.5Å; V30-V46 HydrophobicContact CG1-CG1 4.02Å; V30-V46 HydrophobicContact CG2-CG1 4.23Å; T33-V46 HydrophobicContact CG2-CG2 3.96Å; Q42-V46 WeakPolarHBondContact O-CG2 2.79Å; Q42-V46 PolarHBondContact O-N 2.9Å; K43-V46 PolarHBondContact O-N 3.31Å; E44-V46 PolarHBondContact O-N 3.32Å; V46-L50 WeakPolarHBondContact O-CB 3.49Å; V46-L50 PolarHBondContact O-N 3.3Å |
| 47 | K | 87.9 | Confident | 89 | Confident | 114 Ų | 114 | 91.9 Ų | 91.9 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 176.1 | -178.9 | -177.4 | 169.4 | -173.7 | 0 | 111.3 | K43 E44 K49 L50 E51 | K43-K47 WeakPolarHBondContact O-CB 3.48Å; K43-K47 PolarHBondContact O-N 3.16Å; E44-K47 WeakPolarHBondContact O-CB 3.41Å; E44-K47 PolarHBondContact O-N 3.44Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 3Å; K47-L50 PolarHBondContact O-N 3.42Å; K47-E51 WeakPolarHBondContact CE-OE1 3.4Å; K47-E51 HydrophobicContact CG-CG 4.48Å; K47-E51 IonicContact NZ-OE1 3.84Å; K47-E51 WeakPolarHBondContact O-CB 3.48Å; K47-E51 WeakPolarHBondContact O-CG 3.49Å; K47-E51 PolarHBondContact O-N 3.05Å |
| 48 | E | 90.6 | Very high | 89.5 | Confident | 138 Ų | 138 | 96.9 Ų | 96.9 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 178.5 | -173.4 | -173.4 | 173.6 | 0 | 0 | 111.1 | E44 L50 E51 K52 | E44-E48 WeakPolarHBondContact O-CB 3.26Å; E44-E48 PolarHBondContact O-N 3.31Å; E48-L50 PolarHBondContact O-N 2.94Å; E48-E51 PolarHBondContact O-N 2.86Å; E48-K52 WeakPolarHBondContact O-CB 3.46Å; E48-K52 PolarHBondContact O-N 2.86Å |
| 49 | K | 89.5 | Confident | 90.1 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.4 | -45.6 | 174.9 | -175.6 | 179.4 | 177.8 | -175.8 | 0 | 111.7 | L45 K47 K52 D53 | L45-K49 WeakPolarHBondContact O-CB 3.5Å; L45-K49 PolarHBondContact O-N 3.47Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 3Å; K49-K52 PolarHBondContact O-N 3.38Å; K49-D53 WeakPolarHBondContact O-CB 3.45Å; K49-D53 VanDerWaalsContact O-CG 3.27Å; K49-D53 PolarHBondContact O-N 3.42Å |
| 50 | L | 88.4 | Confident | 90.4 | Very high | 72 Ų | 72 | 99.4 Ų | 99.4 | 38% | 0.377 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 178.5 | -176.7 | 70.1 | 0 | 0 | 0 | 111.7 | V30 V46 K47 E48 K52 D53 Y54 | V30-L50 HydrophobicContact CG1-CD2 4.1Å; V46-L50 WeakPolarHBondContact O-CB 3.49Å; V46-L50 PolarHBondContact O-N 3.3Å; K47-L50 PolarHBondContact O-N 3.42Å; E48-L50 PolarHBondContact O-N 2.94Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-D53 PolarHBondContact O-N 2.84Å; L50-Y54 WeakPolarHBondContact O-CB 3.5Å; L50-Y54 PolarHBondContact O-N 3.29Å |
| 51 | E | 92.3 | Very high | 90.7 | Very high | 110 Ų | 110 | 97.6 Ų | 97.6 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.2 | -75.1 | 176 | 174.1 | 0 | 0 | 111.2 | K47 E48 Y54 A55 | K47-E51 WeakPolarHBondContact CE-OE1 3.4Å; K47-E51 HydrophobicContact CG-CG 4.48Å; K47-E51 IonicContact NZ-OE1 3.84Å; K47-E51 WeakPolarHBondContact O-CB 3.48Å; K47-E51 WeakPolarHBondContact O-CG 3.49Å; K47-E51 PolarHBondContact O-N 3.05Å; E48-E51 PolarHBondContact O-N 2.86Å; E51-Y54 PolarHBondContact O-N 3.39Å; E51-A55 WeakPolarHBondContact O-CB 3.29Å; E51-A55 PolarHBondContact O-N 2.98Å |
| 52 | K | 93.2 | Very high | 91.1 | Very high | 156 Ų | 156 | 98.2 Ų | 98.2 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -48 | 174.8 | -175.3 | 178.7 | -180 | 175.6 | 0 | 112.3 | E48 K49 L50 Y54 A55 A56 | E48-K52 WeakPolarHBondContact O-CB 3.46Å; E48-K52 PolarHBondContact O-N 2.86Å; K49-K52 PolarHBondContact O-N 3.38Å; L50-K52 VanDerWaalsContact C-N 3.34Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 2.89Å; K52-A55 PolarHBondContact O-N 3.2Å; K52-A56 WeakPolarHBondContact O-CB 3.25Å; K52-A56 PolarHBondContact O-N 3.49Å |
| 53 | D | 90 | Very high | 91.4 | Very high | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 178.9 | -70.9 | -13.1 | 0 | 0 | 0 | 111 | K49 L50 T57 | K49-D53 WeakPolarHBondContact O-CB 3.45Å; K49-D53 VanDerWaalsContact O-CG 3.27Å; K49-D53 PolarHBondContact O-N 3.42Å; L50-D53 PolarHBondContact O-N 2.84Å; D53-T57 WeakPolarHBondContact O-CB 3.46Å; D53-T57 PolarHBondContact O-N 2.93Å; D53-T57 PolarHBondContact O-OG1 3.45Å |
| 54 | Y | 90.5 | Very high | 91.8 | Very high | 164 Ų | 164 | 102.2 Ų | 102.2 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -45.8 | 175 | -178.3 | -97 | 0 | 0 | 0 | 111.8 | L50 E51 K52 A56 T57 K58 | L50-Y54 WeakPolarHBondContact O-CB 3.5Å; L50-Y54 PolarHBondContact O-N 3.29Å; E51-Y54 PolarHBondContact O-N 3.39Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 2.89Å; Y54-A56 PolarHBondContact O-N 2.96Å; Y54-T57 PolarHBondContact O-N 3.39Å; Y54-K58 WeakPolarHBondContact O-CB 3.28Å; Y54-K58 PolarHBondContact O-N 3.39Å |
| 55 | A | 94.5 | Very high | 92 | Very high | 55 Ų | 55 | 101.2 Ų | 101.2 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E51 K52 T57 K58 E59 | E51-A55 WeakPolarHBondContact O-CB 3.29Å; E51-A55 PolarHBondContact O-N 2.98Å; K52-A55 PolarHBondContact O-N 3.2Å; A55-T57 PolarHBondContact O-N 3.41Å; A55-K58 PolarHBondContact O-N 3.08Å; A55-E59 PolarHBondContact O-N 2.92Å |
| 56 | A | 94 | Very high | 92.2 | Very high | 50 Ų | 50 | 100.9 Ų | 100.9 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K52 Y54 E59 V60 | K52-A56 WeakPolarHBondContact O-CB 3.25Å; K52-A56 PolarHBondContact O-N 3.49Å; Y54-A56 PolarHBondContact O-N 2.96Å; A56-E59 PolarHBondContact O-N 3.49Å; A56-V60 WeakPolarHBondContact O-CG2 3.29Å; A56-V60 PolarHBondContact O-N 3.41Å; A56-V60 VanDerWaalsContact O-N 3.13Å |
| 57 | T | 92.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 102.3 Ų | 102.3 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | D53 Y54 A55 V60 V61 | D53-T57 WeakPolarHBondContact O-CB 3.46Å; D53-T57 PolarHBondContact O-N 2.93Å; D53-T57 PolarHBondContact O-OG1 3.45Å; Y54-T57 PolarHBondContact O-N 3.39Å; A55-T57 PolarHBondContact O-N 3.41Å; T57-V60 PolarHBondContact O-N 3.48Å; T57-V61 HydrophobicContact CG2-CG2 4.42Å; T57-V61 WeakPolarHBondContact O-CG2 3.32Å; T57-V61 PolarHBondContact O-N 3.36Å |
| 58 | K | 94.7 | Very high | 92.6 | Very high | 115 Ų | 115 | 102.7 Ų | 102.7 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 176.3 | -179.4 | -177.9 | 175.4 | -172.6 | 0 | 110.9 | Y54 A55 V60 V61 D62 | Y54-K58 WeakPolarHBondContact O-CB 3.28Å; Y54-K58 PolarHBondContact O-N 3.39Å; A55-K58 PolarHBondContact O-N 3.08Å; K58-V60 VanDerWaalsContact C-N 3.32Å; K58-V60 PolarHBondContact O-N 2.91Å; K58-V61 PolarHBondContact O-N 3.19Å; K58-V61 VanDerWaalsContact O-N 3.15Å; K58-D62 WeakPolarHBondContact CE-OD2 3.34Å; K58-D62 WeakPolarHBondContact CG-OD2 3.44Å; K58-D62 WeakPolarHBondContact O-CB 3.49Å; K58-D62 VanDerWaalsContact O-CG 3.28Å; K58-D62 PolarHBondContact O-N 2.96Å |
| 59 | E | 95.3 | Very high | 92.7 | Very high | 144 Ų | 144 | 102.4 Ų | 102.4 | 67% | 0.673 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.5 | -43 | 178.4 | -172.4 | -178.6 | 179.4 | 0 | 0 | 112.1 | A55 A56 D62 H63 | A55-E59 PolarHBondContact O-N 2.92Å; A56-E59 PolarHBondContact O-N 3.49Å; E59-D62 PolarHBondContact O-N 2.92Å; E59-H63 VanDerWaalsContact O-CB 3.29Å; E59-H63 WeakPolarHBondContact O-CB 3.43Å; E59-H63 PolarHBondContact O-N 3.04Å |
| 60 | V | 94 | Very high | 92.9 | Very high | 98 Ų | 98 | 102.2 Ų | 102.2 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | A56 T57 K58 L64 | A56-V60 WeakPolarHBondContact O-CG2 3.29Å; A56-V60 PolarHBondContact O-N 3.41Å; A56-V60 VanDerWaalsContact O-N 3.13Å; T57-V60 PolarHBondContact O-N 3.48Å; K58-V60 VanDerWaalsContact C-N 3.32Å; K58-V60 PolarHBondContact O-N 2.91Å; V60-L64 VanDerWaalsContact O-CB 3.3Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 PolarHBondContact O-N 3.31Å |
| 61 | V | 93.6 | Very high | 93.2 | Very high | 76 Ų | 76 | 103.9 Ų | 103.9 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.6 | -47.7 | 178 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | T57 K58 H63 L64 V65 | T57-V61 HydrophobicContact CG2-CG2 4.42Å; T57-V61 WeakPolarHBondContact O-CG2 3.32Å; T57-V61 PolarHBondContact O-N 3.36Å; K58-V61 PolarHBondContact O-N 3.19Å; K58-V61 VanDerWaalsContact O-N 3.15Å; V61-H63 VanDerWaalsContact C-N 3.32Å; V61-H63 PolarHBondContact O-N 3.41Å; V61-L64 PolarHBondContact O-N 3.46Å; V61-V65 HydrophobicContact CG1-CG2 4.29Å; V61-V65 WeakPolarHBondContact O-CB 3.39Å; V61-V65 VanDerWaalsContact O-CG2 3.27Å; V61-V65 WeakPolarHBondContact O-CG2 3.35Å; V61-V65 PolarHBondContact O-N 3.34Å |
| 62 | D | 95 | Very high | 93.3 | Very high | 78 Ų | 78 | 102.2 Ų | 102.2 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 178.7 | -69.9 | -15.8 | 0 | 0 | 0 | 109.7 | K58 E59 L64 V65 D66 | K58-D62 WeakPolarHBondContact CE-OD2 3.34Å; K58-D62 WeakPolarHBondContact CG-OD2 3.44Å; K58-D62 WeakPolarHBondContact O-CB 3.49Å; K58-D62 VanDerWaalsContact O-CG 3.28Å; K58-D62 PolarHBondContact O-N 2.96Å; E59-D62 PolarHBondContact O-N 2.92Å; D62-L64 PolarHBondContact O-N 3.43Å; D62-V65 PolarHBondContact O-N 2.8Å; D62-D66 PolarHBondContact O-N 2.99Å |
| 63 | H | 93 | Very high | 93.4 | Very high | 125 Ų | 125 | 97 Ų | 97 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 175.3 | -177.3 | 60.4 | 0 | 0 | 0 | 113 | E59 V61 V65 D66 V67 | E59-H63 VanDerWaalsContact O-CB 3.29Å; E59-H63 WeakPolarHBondContact O-CB 3.43Å; E59-H63 PolarHBondContact O-N 3.04Å; V61-H63 VanDerWaalsContact C-N 3.32Å; V61-H63 PolarHBondContact O-N 3.41Å; H63-V65 VanDerWaalsContact C-N 3.33Å; H63-V65 PolarHBondContact O-N 3.17Å; H63-D66 PolarHBondContact O-N 2.88Å; H63-V67 VanDerWaalsContact CE1-CG2 3.49Å; H63-V67 WeakPolarHBondContact CE1-CG2 3.37Å; H63-V67 WeakPolarHBondContact O-CB 3.28Å; H63-V67 VanDerWaalsContact O-CG2 3.32Å; H63-V67 WeakPolarHBondContact O-CG2 3.47Å; H63-V67 PolarHBondContact O-N 3.41Å |
| 64 | L | 94 | Very high | 93.7 | Very high | 107 Ų | 107 | 96.5 Ų | 96.5 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -37.2 | 178.7 | -175.9 | 63.8 | 0 | 0 | 0 | 111.7 | V60 V61 D62 Q68 | V60-L64 VanDerWaalsContact O-CB 3.3Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 PolarHBondContact O-N 3.31Å; V61-L64 PolarHBondContact O-N 3.46Å; D62-L64 PolarHBondContact O-N 3.43Å; L64-Q68 WeakPolarHBondContact O-CB 3.27Å; L64-Q68 PolarHBondContact O-N 2.89Å |
| 65 | V | 93.2 | Very high | 94 | Very high | 84 Ų | 84 | 91.5 Ų | 91.5 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | V61 D62 H63 Q68 H69 | V61-V65 HydrophobicContact CG1-CG2 4.29Å; V61-V65 WeakPolarHBondContact O-CB 3.39Å; V61-V65 VanDerWaalsContact O-CG2 3.27Å; V61-V65 WeakPolarHBondContact O-CG2 3.35Å; V61-V65 PolarHBondContact O-N 3.34Å; D62-V65 PolarHBondContact O-N 2.8Å; H63-V65 VanDerWaalsContact C-N 3.33Å; H63-V65 PolarHBondContact O-N 3.17Å; V65-Q68 PolarHBondContact O-N 3Å; V65-H69 VanDerWaalsContact O-CB 3.24Å; V65-H69 WeakPolarHBondContact O-CB 3.28Å; V65-H69 PolarHBondContact O-N 3.48Å |
| 66 | D | 93 | Very high | 94.1 | Very high | 106 Ų | 106 | 92.8 Ų | 92.8 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -49.7 | 179.6 | -71.6 | -17.3 | 0 | 0 | 0 | 111.6 | D62 H63 Q68 H69 E70 | D62-D66 PolarHBondContact O-N 2.99Å; H63-D66 PolarHBondContact O-N 2.88Å; D66-Q68 PolarHBondContact O-N 3.4Å; D66-H69 WeakPolarHBondContact O-CB 3.23Å; D66-H69 PolarHBondContact O-N 3.35Å; D66-E70 PolarHBondContact O-N 2.8Å |
| 67 | V | 91 | Very high | 94.3 | Very high | 57 Ų | 57 | 97 Ų | 97 | 35% | 0.345 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | H63 H69 E70 D71 | H63-V67 VanDerWaalsContact CE1-CG2 3.49Å; H63-V67 WeakPolarHBondContact CE1-CG2 3.37Å; H63-V67 WeakPolarHBondContact O-CB 3.28Å; H63-V67 VanDerWaalsContact O-CG2 3.32Å; H63-V67 WeakPolarHBondContact O-CG2 3.47Å; H63-V67 PolarHBondContact O-N 3.41Å; V67-H69 VanDerWaalsContact C-N 3.25Å; V67-H69 PolarHBondContact O-N 3.17Å; V67-E70 PolarHBondContact O-N 2.93Å; V67-D71 WeakPolarHBondContact O-CB 3.39Å; V67-D71 PolarHBondContact O-N 2.94Å |
| 68 | Q | 93.1 | Very high | 94.6 | Very high | 122 Ų | 122 | 96 Ų | 96 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -34.5 | 178.8 | -170.6 | -179.6 | -75.6 | 0 | 0 | 111.5 | L64 V65 D66 V72 | L64-Q68 WeakPolarHBondContact O-CB 3.27Å; L64-Q68 PolarHBondContact O-N 2.89Å; V65-Q68 PolarHBondContact O-N 3Å; D66-Q68 PolarHBondContact O-N 3.4Å; Q68-V72 HydrophobicContact CG-CG2 4.33Å; Q68-V72 VanDerWaalsContact O-CB 3.31Å; Q68-V72 WeakPolarHBondContact O-CB 3.48Å; Q68-V72 WeakPolarHBondContact O-CG2 3.45Å; Q68-V72 PolarHBondContact O-N 3.31Å |
| 69 | H | 92.9 | Very high | 94.8 | Very high | 131 Ų | 131 | 97.2 Ų | 97.2 | 61% | 0.606 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -46.9 | 175.8 | -175.8 | -85.1 | 0 | 0 | 0 | 111.5 | V65 D66 V67 V72 A73 | V65-H69 VanDerWaalsContact O-CB 3.24Å; V65-H69 WeakPolarHBondContact O-CB 3.28Å; V65-H69 PolarHBondContact O-N 3.48Å; D66-H69 WeakPolarHBondContact O-CB 3.23Å; D66-H69 PolarHBondContact O-N 3.35Å; V67-H69 VanDerWaalsContact C-N 3.25Å; V67-H69 PolarHBondContact O-N 3.17Å; H69-V72 PolarHBondContact O-N 3.16Å; H69-A73 VanDerWaalsContact O-CB 3.29Å; H69-A73 WeakPolarHBondContact O-CB 3.25Å; H69-A73 PolarHBondContact O-N 3.47Å |
| 70 | E | 93.2 | Very high | 94.9 | Very high | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.1 | -46.9 | 175.2 | -75.6 | -74.4 | 142.5 | 0 | 0 | 112.2 | D66 V67 A73 T74 | D66-E70 PolarHBondContact O-N 2.8Å; V67-E70 PolarHBondContact O-N 2.93Å; E70-A73 PolarHBondContact O-N 2.96Å; E70-T74 WeakPolarHBondContact O-CB 3.39Å; E70-T74 PolarHBondContact O-N 3.5Å; E70-T74 PolarHBondContact O-OG1 3.31Å |
| 71 | D | 94.2 | Very high | 95.1 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 179.2 | -78 | -18.7 | 0 | 0 | 0 | 111.7 | V67 T74 A75 | V67-D71 WeakPolarHBondContact O-CB 3.39Å; V67-D71 PolarHBondContact O-N 2.94Å; D71-T74 PolarHBondContact O-N 3.19Å; D71-A75 VanDerWaalsContact O-CB 3.29Å; D71-A75 WeakPolarHBondContact O-CB 3.41Å; D71-A75 PolarHBondContact O-N 3Å |
| 72 | V | 94.9 | Very high | 95.4 | Very high | 75 Ų | 75 | 102.8 Ų | 102.8 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | Q68 H69 A75 L76 | Q68-V72 HydrophobicContact CG-CG2 4.33Å; Q68-V72 VanDerWaalsContact O-CB 3.31Å; Q68-V72 WeakPolarHBondContact O-CB 3.48Å; Q68-V72 WeakPolarHBondContact O-CG2 3.45Å; Q68-V72 PolarHBondContact O-N 3.31Å; H69-V72 PolarHBondContact O-N 3.16Å; V72-A75 PolarHBondContact O-N 2.88Å; V72-L76 HydrophobicContact CG1-CD1 3.9Å; V72-L76 HydrophobicContact CG1-CG 4.35Å; V72-L76 WeakPolarHBondContact O-CB 3.29Å; V72-L76 VanDerWaalsContact O-CG 3.3Å; V72-L76 WeakPolarHBondContact O-CG 3.33Å; V72-L76 PolarHBondContact O-N 3.34Å |
| 73 | A | 95.3 | Very high | 95.5 | Very high | 45 Ų | 45 | 101.4 Ų | 101.4 | 37% | 0.372 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H69 E70 L76 Q77 | H69-A73 VanDerWaalsContact O-CB 3.29Å; H69-A73 WeakPolarHBondContact O-CB 3.25Å; H69-A73 PolarHBondContact O-N 3.47Å; E70-A73 PolarHBondContact O-N 2.96Å; A73-L76 PolarHBondContact O-N 2.95Å; A73-Q77 WeakPolarHBondContact O-CB 3.35Å; A73-Q77 PolarHBondContact O-N 3.24Å |
| 74 | T | 96.2 | Very high | 95.8 | Very high | 73 Ų | 73 | 99.5 Ų | 99.5 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | E70 D71 Q77 S78 | E70-T74 WeakPolarHBondContact O-CB 3.39Å; E70-T74 PolarHBondContact O-N 3.5Å; E70-T74 PolarHBondContact O-OG1 3.31Å; D71-T74 PolarHBondContact O-N 3.19Å; T74-Q77 PolarHBondContact O-N 3.35Å; T74-S78 WeakPolarHBondContact O-CB 3.45Å; T74-S78 PolarHBondContact O-N 2.96Å; T74-S78 PolarHBondContact O-OG 2.89Å |
| 75 | A | 96.5 | Very high | 96 | Very high | 59 Ų | 59 | 98.5 Ų | 98.5 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D71 V72 S78 F79 | D71-A75 VanDerWaalsContact O-CB 3.29Å; D71-A75 WeakPolarHBondContact O-CB 3.41Å; D71-A75 PolarHBondContact O-N 3Å; V72-A75 PolarHBondContact O-N 2.88Å; A75-S78 PolarHBondContact O-N 3.38Å; A75-F79 WeakPolarHBondContact O-CB 3.3Å; A75-F79 PolarHBondContact O-N 3.46Å |
| 76 | L | 97.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 98.2 Ų | 98.2 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 176 | -77.5 | 171.6 | 0 | 0 | 0 | 112.1 | V72 A73 F79 R80 | V72-L76 HydrophobicContact CG1-CD1 3.9Å; V72-L76 HydrophobicContact CG1-CG 4.35Å; V72-L76 WeakPolarHBondContact O-CB 3.29Å; V72-L76 VanDerWaalsContact O-CG 3.3Å; V72-L76 WeakPolarHBondContact O-CG 3.33Å; V72-L76 PolarHBondContact O-N 3.34Å; A73-L76 PolarHBondContact O-N 2.95Å; L76-F79 PolarHBondContact O-N 3.5Å; L76-R80 WeakPolarHBondContact O-CB 3.47Å; L76-R80 VanDerWaalsContact O-CG 3.25Å; L76-R80 WeakPolarHBondContact O-CG 3.24Å; L76-R80 PolarHBondContact O-N 2.79Å |
| 77 | Q | 98.1 | Very high | 96.5 | Very high | 139 Ų | 139 | 97.4 Ų | 97.4 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -45.1 | 176.2 | -173.7 | 179.9 | 9.4 | 0 | 0 | 111.2 | A73 T74 R80 R81 | A73-Q77 WeakPolarHBondContact O-CB 3.35Å; A73-Q77 PolarHBondContact O-N 3.24Å; T74-Q77 PolarHBondContact O-N 3.35Å; Q77-R80 PolarHBondContact O-N 2.87Å; Q77-R81 PolarHBondContact O-N 2.91Å |
| 78 | S | 98 | Very high | 96.9 | Very high | 65 Ų | 65 | 97.8 Ų | 97.8 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | T74 A75 R80 R81 V82 | T74-S78 WeakPolarHBondContact O-CB 3.45Å; T74-S78 PolarHBondContact O-N 2.96Å; T74-S78 PolarHBondContact O-OG 2.89Å; A75-S78 PolarHBondContact O-N 3.38Å; S78-R80 PolarHBondContact O-N 3.34Å; S78-R81 PolarHBondContact O-N 2.89Å; S78-V82 WeakPolarHBondContact O-CG2 3.29Å; S78-V82 PolarHBondContact O-N 3.3Å |
| 79 | F | 98.1 | Very high | 97.2 | Very high | 140 Ų | 140 | 94.2 Ų | 94.2 | 61% | 0.614 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 176.6 | 178.8 | -98.4 | 0 | 0 | 0 | 112.6 | A75 L76 V82 S83 | A75-F79 WeakPolarHBondContact O-CB 3.3Å; A75-F79 PolarHBondContact O-N 3.46Å; L76-F79 PolarHBondContact O-N 3.5Å; F79-V82 PolarHBondContact O-N 2.91Å; F79-S83 VanDerWaalsContact O-CB 3.28Å; F79-S83 WeakPolarHBondContact O-CB 3.31Å; F79-S83 PolarHBondContact O-N 2.95Å; F79-S83 PolarHBondContact O-OG 2.93Å |
| 80 | R | 98.5 | Very high | 97.4 | Very high | 172 Ų | 172 | 95.9 Ų | 95.9 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -49.3 | 175.7 | -75.7 | 172.4 | -176.1 | 177.3 | 3.1 | 110.8 | L76 Q77 S78 V82 S83 T84 | L76-R80 WeakPolarHBondContact O-CB 3.47Å; L76-R80 VanDerWaalsContact O-CG 3.25Å; L76-R80 WeakPolarHBondContact O-CG 3.24Å; L76-R80 PolarHBondContact O-N 2.79Å; Q77-R80 PolarHBondContact O-N 2.87Å; S78-R80 PolarHBondContact O-N 3.34Å; R80-V82 PolarHBondContact O-N 3.37Å; R80-S83 PolarHBondContact O-N 3.41Å; R80-T84 PolarHBondContact O-N 2.9Å; R80-T84 PolarHBondContact O-OG1 2.88Å |
| 81 | R | 98.4 | Very high | 97.7 | Very high | 180 Ų | 180 | 95.1 Ų | 95.1 | 68% | 0.679 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.3 | -51.9 | 177.6 | 179.6 | -179 | 172.8 | -177.3 | 0.9 | 111.6 | Q77 S78 S83 T84 D85 | Q77-R81 PolarHBondContact O-N 2.91Å; S78-R81 PolarHBondContact O-N 2.89Å; R81-S83 VanDerWaalsContact C-N 3.28Å; R81-S83 PolarHBondContact O-N 3.38Å; R81-T84 PolarHBondContact O-N 2.88Å; R81-D85 IonicContact NE-OD2 2.75Å; R81-D85 PolarHBondContact O-N 3.12Å |
| 82 | V | 98.5 | Very high | 97.9 | Very high | 84 Ų | 84 | 97.6 Ų | 97.6 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | S78 F79 R80 T84 D85 V86 | S78-V82 WeakPolarHBondContact O-CG2 3.29Å; S78-V82 PolarHBondContact O-N 3.3Å; F79-V82 PolarHBondContact O-N 2.91Å; R80-V82 PolarHBondContact O-N 3.37Å; V82-T84 PolarHBondContact O-N 3.35Å; V82-D85 PolarHBondContact O-N 2.82Å; V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CB 3.5Å; V82-V86 VanDerWaalsContact O-CG2 3.23Å; V82-V86 WeakPolarHBondContact O-CG2 3.49Å; V82-V86 PolarHBondContact O-N 2.83Å |
| 83 | S | 98.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 98.4 Ų | 98.4 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | F79 R80 R81 Q87 | F79-S83 VanDerWaalsContact O-CB 3.28Å; F79-S83 WeakPolarHBondContact O-CB 3.31Å; F79-S83 PolarHBondContact O-N 2.95Å; F79-S83 PolarHBondContact O-OG 2.93Å; R80-S83 PolarHBondContact O-N 3.41Å; R81-S83 VanDerWaalsContact C-N 3.28Å; R81-S83 PolarHBondContact O-N 3.38Å; S83-Q87 WeakPolarHBondContact O-CB 3.32Å; S83-Q87 PolarHBondContact O-N 2.94Å |
| 84 | T | 98.5 | Very high | 98.2 | Very high | 86 Ų | 86 | 103.1 Ų | 103.1 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 175 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | R80 R81 V82 Q87 T88 | R80-T84 PolarHBondContact O-N 2.9Å; R80-T84 PolarHBondContact O-OG1 2.88Å; R81-T84 PolarHBondContact O-N 2.88Å; V82-T84 PolarHBondContact O-N 3.35Å; T84-Q87 PolarHBondContact O-N 2.89Å; T84-T88 WeakPolarHBondContact O-CB 3.11Å; T84-T88 PolarHBondContact O-N 3.4Å; T84-T88 PolarHBondContact O-OG1 3.29Å |
| 85 | D | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 104.8 Ų | 104.8 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 178.3 | -71 | -17.3 | 0 | 0 | 0 | 110.9 | R81 V82 T88 A89 | R81-D85 IonicContact NE-OD2 2.75Å; R81-D85 PolarHBondContact O-N 3.12Å; V82-D85 PolarHBondContact O-N 2.82Å; D85-T88 PolarHBondContact O-N 3.05Å; D85-A89 WeakPolarHBondContact O-CB 3.15Å; D85-A89 PolarHBondContact O-N 3.44Å |
| 86 | V | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 106.7 Ų | 106.7 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 111 | V82 A89 R90 | V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CB 3.5Å; V82-V86 VanDerWaalsContact O-CG2 3.23Å; V82-V86 WeakPolarHBondContact O-CG2 3.49Å; V82-V86 PolarHBondContact O-N 2.83Å; V86-A89 PolarHBondContact O-N 3.35Å; V86-R90 HydrophobicContact CG1-CG 4.5Å; V86-R90 VanDerWaalsContact O-CG 3.27Å; V86-R90 WeakPolarHBondContact O-CG 3.46Å; V86-R90 PolarHBondContact O-N 2.98Å |
| 87 | Q | 98.5 | Very high | 98.5 | Very high | 90 Ų | 90 | 109.2 Ų | 109.2 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 178.3 | -178.8 | 58.1 | 23.1 | 0 | 0 | 111.3 | S83 T84 A89 R90 E91 | S83-Q87 WeakPolarHBondContact O-CB 3.32Å; S83-Q87 PolarHBondContact O-N 2.94Å; T84-Q87 PolarHBondContact O-N 2.89Å; Q87-A89 VanDerWaalsContact C-N 3.32Å; Q87-A89 PolarHBondContact O-N 2.9Å; Q87-R90 WeakPolarHBondContact O-CB 3.48Å; Q87-R90 PolarHBondContact O-N 3.34Å; Q87-R90 VanDerWaalsContact O-N 3.16Å; Q87-E91 PolarHBondContact NE2-OE1 2.92Å; Q87-E91 WeakPolarHBondContact O-CG 3.37Å; Q87-E91 PolarHBondContact O-N 2.95Å |
| 88 | T | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 106.8 Ų | 106.8 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 177 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | T84 D85 R90 E91 R92 | T84-T88 WeakPolarHBondContact O-CB 3.11Å; T84-T88 PolarHBondContact O-N 3.4Å; T84-T88 PolarHBondContact O-OG1 3.29Å; D85-T88 PolarHBondContact O-N 3.05Å; T88-R90 PolarHBondContact O-N 3.49Å; T88-E91 PolarHBondContact O-N 3.01Å; T88-R92 WeakPolarHBondContact O-CG 3.27Å; T88-R92 PolarHBondContact O-N 3.22Å |
| 89 | A | 98.7 | Very high | 98.6 | Very high | 46 Ų | 46 | 108.1 Ų | 108.1 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D85 V86 Q87 E91 R92 I93 | D85-A89 WeakPolarHBondContact O-CB 3.15Å; D85-A89 PolarHBondContact O-N 3.44Å; V86-A89 PolarHBondContact O-N 3.35Å; Q87-A89 VanDerWaalsContact C-N 3.32Å; Q87-A89 PolarHBondContact O-N 2.9Å; A89-E91 PolarHBondContact O-N 2.99Å; A89-R92 PolarHBondContact O-N 3.49Å; A89-I93 VanDerWaalsContact O-CG1 3.28Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 2.86Å |
| 90 | R | 98.7 | Very high | 98.6 | Very high | 167 Ų | 167 | 106.2 Ų | 106.2 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | 177 | -72 | 173.3 | 73.7 | 167.3 | 4.2 | 112 | V86 Q87 T88 I93 K94 | V86-R90 HydrophobicContact CG1-CG 4.5Å; V86-R90 VanDerWaalsContact O-CG 3.27Å; V86-R90 WeakPolarHBondContact O-CG 3.46Å; V86-R90 PolarHBondContact O-N 2.98Å; Q87-R90 WeakPolarHBondContact O-CB 3.48Å; Q87-R90 PolarHBondContact O-N 3.34Å; Q87-R90 VanDerWaalsContact O-N 3.16Å; T88-R90 PolarHBondContact O-N 3.49Å; R90-I93 PolarHBondContact O-N 3.41Å; R90-K94 PolarHBondContact O-N 3.27Å |
| 91 | E | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 101.3 Ų | 101.3 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.3 | -72.7 | 171.9 | -169.4 | 0 | 0 | 111.7 | Q87 T88 A89 I93 K94 M95 | Q87-E91 PolarHBondContact NE2-OE1 2.92Å; Q87-E91 WeakPolarHBondContact O-CG 3.37Å; Q87-E91 PolarHBondContact O-N 2.95Å; T88-E91 PolarHBondContact O-N 3.01Å; A89-E91 PolarHBondContact O-N 2.99Å; E91-I93 VanDerWaalsContact C-N 3.35Å; E91-I93 PolarHBondContact O-N 2.95Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 3.38Å; E91-K94 VanDerWaalsContact O-N 3.17Å; E91-M95 PolarHBondContact O-N 3.5Å |
| 92 | R | 98.6 | Very high | 98.6 | Very high | 160 Ų | 160 | 95.8 Ų | 95.8 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.3 | -44.3 | 174.6 | -72.9 | 175.7 | 67.6 | 178.2 | 1.8 | 112 | T88 A89 K94 M95 I96 | T88-R92 WeakPolarHBondContact O-CG 3.27Å; T88-R92 PolarHBondContact O-N 3.22Å; A89-R92 PolarHBondContact O-N 3.49Å; R92-K94 VanDerWaalsContact C-N 3.33Å; R92-K94 PolarHBondContact O-N 3.49Å; R92-M95 PolarHBondContact O-N 3.23Å; R92-I96 VanDerWaalsContact O-CG1 3.28Å; R92-I96 WeakPolarHBondContact O-CG1 3.33Å; R92-I96 PolarHBondContact O-N 3.38Å |
| 93 | I | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 95 Ų | 95 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 176 | -70.8 | 164.5 | 0 | 0 | 0 | 110.6 | A89 R90 E91 M95 I96 K97 | A89-I93 VanDerWaalsContact O-CG1 3.28Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 2.86Å; R90-I93 PolarHBondContact O-N 3.41Å; E91-I93 VanDerWaalsContact C-N 3.35Å; E91-I93 PolarHBondContact O-N 2.95Å; I93-M95 PolarHBondContact O-N 2.81Å; I93-I96 PolarHBondContact O-N 3.15Å; I93-K97 HydrophobicContact CG2-CD 4.14Å; I93-K97 HydrophobicContact CG2-CG 4.44Å; I93-K97 WeakPolarHBondContact O-CB 3.36Å; I93-K97 WeakPolarHBondContact O-CG 3.43Å; I93-K97 PolarHBondContact O-N 3.19Å |
| 94 | K | 98.6 | Very high | 98.6 | Very high | 145 Ų | 145 | 96.8 Ų | 96.8 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 177.6 | -173.3 | -179.3 | -179.9 | -176.7 | 0 | 111.3 | R90 E91 R92 K97 N98 | R90-K94 PolarHBondContact O-N 3.27Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 3.38Å; E91-K94 VanDerWaalsContact O-N 3.17Å; R92-K94 VanDerWaalsContact C-N 3.33Å; R92-K94 PolarHBondContact O-N 3.49Å; K94-K97 PolarHBondContact O-N 3.45Å; K94-N98 VanDerWaalsContact O-CG 3.29Å; K94-N98 PolarHBondContact O-N 3.15Å |
| 95 | M | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 97.9 Ų | 97.9 | 53% | 0.532 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 176.9 | -176.8 | -179.4 | 67.6 | 0 | 0 | 111.9 | E91 R92 I93 K97 N98 N99 | E91-M95 PolarHBondContact O-N 3.5Å; R92-M95 PolarHBondContact O-N 3.23Å; I93-M95 PolarHBondContact O-N 2.81Å; M95-K97 VanDerWaalsContact C-N 3.33Å; M95-K97 PolarHBondContact O-N 2.95Å; M95-N98 PolarHBondContact O-N 2.93Å; M95-N99 PolarHBondContact O-N 3.13Å; M95-N99 PolarHBondContact O-OD1 2.85Å |
| 96 | I | 98.8 | Very high | 98.6 | Very high | 99 Ų | 99 | 99.4 Ų | 99.4 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 178.5 | -68.6 | 165.6 | 0 | 0 | 0 | 110.9 | R92 I93 N98 N99 L100 | R92-I96 VanDerWaalsContact O-CG1 3.28Å; R92-I96 WeakPolarHBondContact O-CG1 3.33Å; R92-I96 PolarHBondContact O-N 3.38Å; I93-I96 PolarHBondContact O-N 3.15Å; I96-N98 VanDerWaalsContact C-N 3.34Å; I96-N98 PolarHBondContact O-N 2.93Å; I96-N99 PolarHBondContact O-N 3.33Å; I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 PolarHBondContact O-N 3.27Å |
| 97 | K | 98.7 | Very high | 98.6 | Very high | 135 Ų | 135 | 101.6 Ų | 101.6 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.5 | -45.4 | 175.9 | -78 | -179.3 | 173.9 | -175.2 | 0 | 111.7 | I93 K94 M95 L100 S101 | I93-K97 HydrophobicContact CG2-CD 4.14Å; I93-K97 HydrophobicContact CG2-CG 4.44Å; I93-K97 WeakPolarHBondContact O-CB 3.36Å; I93-K97 WeakPolarHBondContact O-CG 3.43Å; I93-K97 PolarHBondContact O-N 3.19Å; K94-K97 PolarHBondContact O-N 3.45Å; M95-K97 VanDerWaalsContact C-N 3.33Å; M95-K97 PolarHBondContact O-N 2.95Å; K97-L100 PolarHBondContact O-N 2.95Å; K97-S101 PolarHBondContact O-N 2.8Å; K97-S101 PolarHBondContact O-OG 3.35Å; K97-S101 VanDerWaalsContact O-OG 3.08Å |
| 98 | N | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 103.9 Ų | 103.9 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 178.3 | -69.7 | -9.5 | 0 | 0 | 0 | 112.1 | K94 M95 I96 S101 S102 | K94-N98 VanDerWaalsContact O-CG 3.29Å; K94-N98 PolarHBondContact O-N 3.15Å; M95-N98 PolarHBondContact O-N 2.93Å; I96-N98 VanDerWaalsContact C-N 3.34Å; I96-N98 PolarHBondContact O-N 2.93Å; N98-S101 PolarHBondContact O-N 3.43Å; N98-S102 WeakPolarHBondContact O-CB 3.41Å; N98-S102 PolarHBondContact O-N 3Å; N98-S102 PolarHBondContact O-OG 2.88Å |
| 99 | N | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 104.1 Ų | 104.1 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.8 | -69.3 | -5.5 | 0 | 0 | 0 | 111 | M95 I96 S101 S102 C103 | M95-N99 PolarHBondContact O-N 3.13Å; M95-N99 PolarHBondContact O-OD1 2.85Å; I96-N99 PolarHBondContact O-N 3.33Å; N99-S101 PolarHBondContact O-N 3.49Å; N99-S102 WeakPolarHBondContact O-CB 3.33Å; N99-S102 PolarHBondContact O-N 3.34Å; N99-C103 PolarHBondContact O-N 3.41Å; N99-C103 PolarHBondContact O-SG 2.92Å |
| 100 | L | 98.7 | Very high | 98.6 | Very high | 100 Ų | 100 | 107.8 Ų | 107.8 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.7 | -177.2 | 61.4 | 0 | 0 | 0 | 111.7 | I96 K97 S102 C103 Q104 | I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 PolarHBondContact O-N 3.27Å; K97-L100 PolarHBondContact O-N 2.95Å; L100-S102 VanDerWaalsContact C-N 3.28Å; L100-S102 PolarHBondContact O-N 3.24Å; L100-C103 PolarHBondContact O-N 2.89Å; L100-Q104 WeakPolarHBondContact O-CB 3.38Å; L100-Q104 VanDerWaalsContact O-CG 3.29Å; L100-Q104 WeakPolarHBondContact O-CG 3.39Å; L100-Q104 PolarHBondContact O-N 3.03Å |
| 101 | S | 98.5 | Very high | 98.6 | Very high | 69 Ų | 69 | 106.8 Ų | 106.8 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 174.9 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | K97 N98 N99 Q104 L105 | K97-S101 PolarHBondContact O-N 2.8Å; K97-S101 PolarHBondContact O-OG 3.35Å; K97-S101 VanDerWaalsContact O-OG 3.08Å; N98-S101 PolarHBondContact O-N 3.43Å; N99-S101 PolarHBondContact O-N 3.49Å; S101-Q104 PolarHBondContact O-N 3.46Å; S101-L105 PolarHBondContact O-N 2.77Å |
| 102 | S | 98.5 | Very high | 98.6 | Very high | 65 Ų | 65 | 105.6 Ų | 105.6 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | N98 N99 L100 Q104 L105 L106 | N98-S102 WeakPolarHBondContact O-CB 3.41Å; N98-S102 PolarHBondContact O-N 3Å; N98-S102 PolarHBondContact O-OG 2.88Å; N99-S102 WeakPolarHBondContact O-CB 3.33Å; N99-S102 PolarHBondContact O-N 3.34Å; L100-S102 VanDerWaalsContact C-N 3.28Å; L100-S102 PolarHBondContact O-N 3.24Å; S102-Q104 VanDerWaalsContact C-N 3.33Å; S102-Q104 PolarHBondContact O-N 3.46Å; S102-L105 WeakPolarHBondContact O-CB 3.47Å; S102-L105 PolarHBondContact O-N 2.98Å; S102-L106 WeakPolarHBondContact O-CG 3.19Å; S102-L106 PolarHBondContact O-N 3.49Å |
| 103 | C | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 102.4 Ų | 102.4 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | N99 L100 L105 L106 L107 | N99-C103 PolarHBondContact O-N 3.41Å; N99-C103 PolarHBondContact O-SG 2.92Å; L100-C103 PolarHBondContact O-N 2.89Å; C103-L105 VanDerWaalsContact C-N 3.31Å; C103-L105 PolarHBondContact O-N 3.36Å; C103-L106 PolarHBondContact O-N 2.86Å; C103-L107 WeakPolarHBondContact O-CB 3.05Å; C103-L107 VanDerWaalsContact O-CG 3.26Å; C103-L107 WeakPolarHBondContact O-CG 3.37Å; C103-L107 PolarHBondContact O-N 2.82Å |
| 104 | Q | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 103.6 Ų | 103.6 | 41% | 0.407 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 176.4 | -75.8 | 176.9 | -3.2 | 0 | 0 | 111.9 | L100 S101 S102 R108 | L100-Q104 WeakPolarHBondContact O-CB 3.38Å; L100-Q104 VanDerWaalsContact O-CG 3.29Å; L100-Q104 WeakPolarHBondContact O-CG 3.39Å; L100-Q104 PolarHBondContact O-N 3.03Å; S101-Q104 PolarHBondContact O-N 3.46Å; S102-Q104 VanDerWaalsContact C-N 3.33Å; S102-Q104 PolarHBondContact O-N 3.46Å; Q104-R108 WeakPolarHBondContact O-CB 2.87Å; Q104-R108 VanDerWaalsContact O-CG 3.25Å; Q104-R108 WeakPolarHBondContact O-CG 3.38Å; Q104-R108 PolarHBondContact O-N 2.83Å |
| 105 | L | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 103.2 Ų | 103.2 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -49.7 | 175.8 | -180 | 61.7 | 0 | 0 | 0 | 111.3 | S101 S102 C103 L107 R108 C109 | S101-L105 PolarHBondContact O-N 2.77Å; S102-L105 WeakPolarHBondContact O-CB 3.47Å; S102-L105 PolarHBondContact O-N 2.98Å; C103-L105 VanDerWaalsContact C-N 3.31Å; C103-L105 PolarHBondContact O-N 3.36Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.85Å; L105-R108 WeakPolarHBondContact O-CB 3.48Å; L105-R108 PolarHBondContact O-N 3.01Å; L105-R108 VanDerWaalsContact O-N 3.16Å; L105-C109 PolarHBondContact O-N 3.19Å; L105-C109 PolarHBondContact O-SG 3.11Å |
| 106 | L | 98.6 | Very high | 98.7 | Very high | 118 Ų | 118 | 104.2 Ų | 104.2 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59 | -43.9 | 178.7 | -69.9 | 173.1 | 0 | 0 | 0 | 112.2 | S102 C103 R108 C109 K110 | S102-L106 WeakPolarHBondContact O-CG 3.19Å; S102-L106 PolarHBondContact O-N 3.49Å; C103-L106 PolarHBondContact O-N 2.86Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.22Å; L106-C109 PolarHBondContact O-N 3.08Å; L106-K110 WeakPolarHBondContact O-CG 3.33Å; L106-K110 PolarHBondContact O-N 3.08Å |
| 107 | L | 98.8 | Very high | 98.6 | Very high | 122 Ų | 122 | 103.9 Ų | 103.9 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | 177 | -72.4 | 171.6 | 0 | 0 | 0 | 112 | C103 L105 K110 R111 | C103-L107 WeakPolarHBondContact O-CB 3.05Å; C103-L107 VanDerWaalsContact O-CG 3.26Å; C103-L107 WeakPolarHBondContact O-CG 3.37Å; C103-L107 PolarHBondContact O-N 2.82Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.85Å; L107-K110 PolarHBondContact O-N 3.44Å; L107-R111 VanDerWaalsContact O-CB 3.29Å; L107-R111 WeakPolarHBondContact O-CB 3.33Å; L107-R111 PolarHBondContact O-N 3.34Å |
| 108 | R | 98.7 | Very high | 98.6 | Very high | 139 Ų | 139 | 106 Ų | 106 | 53% | 0.525 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 173.9 | -74.3 | 172.2 | -175.7 | -175 | 2.7 | 111.1 | Q104 L105 L106 K110 R111 D112 | Q104-R108 WeakPolarHBondContact O-CB 2.87Å; Q104-R108 VanDerWaalsContact O-CG 3.25Å; Q104-R108 WeakPolarHBondContact O-CG 3.38Å; Q104-R108 PolarHBondContact O-N 2.83Å; L105-R108 WeakPolarHBondContact O-CB 3.48Å; L105-R108 PolarHBondContact O-N 3.01Å; L105-R108 VanDerWaalsContact O-N 3.16Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.22Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.37Å; R108-R111 WeakPolarHBondContact O-CB 3.45Å; R108-R111 PolarHBondContact O-N 2.99Å; R108-D112 WeakPolarHBondContact O-CB 3.42Å; R108-D112 PolarHBondContact O-N 3.29Å |
| 109 | C | 98.5 | Very high | 98.6 | Very high | 70 Ų | 70 | 106.1 Ų | 106.1 | 47% | 0.473 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 177.2 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | L105 L106 D112 E113 | L105-C109 PolarHBondContact O-N 3.19Å; L105-C109 PolarHBondContact O-SG 3.11Å; L106-C109 PolarHBondContact O-N 3.08Å; C109-D112 PolarHBondContact O-N 3.42Å; C109-E113 WeakPolarHBondContact O-CB 3.3Å; C109-E113 PolarHBondContact O-N 3.28Å |
| 110 | K | 98.5 | Very high | 98.6 | Very high | 123 Ų | 123 | 105.4 Ų | 105.4 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 178.5 | -76.6 | -73.2 | 161 | -155.6 | 0 | 112.9 | L106 L107 R108 D112 E113 L114 | L106-K110 WeakPolarHBondContact O-CG 3.33Å; L106-K110 PolarHBondContact O-N 3.08Å; L107-K110 PolarHBondContact O-N 3.44Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.37Å; K110-D112 VanDerWaalsContact C-N 3.33Å; K110-E113 IonicContact NZ-OE2 3.78Å; K110-E113 PolarHBondContact NZ-OE2 2.99Å; K110-E113 PolarHBondContact O-N 3.48Å; K110-L114 WeakPolarHBondContact O-CG 3.28Å; K110-L114 PolarHBondContact O-N 2.93Å |
| 111 | R | 98.7 | Very high | 98.6 | Very high | 145 Ų | 145 | 103 Ų | 103 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 174.6 | -179.4 | -165.9 | 64.8 | -163.8 | -3.3 | 111.4 | L107 R108 L114 K115 | L107-R111 VanDerWaalsContact O-CB 3.29Å; L107-R111 WeakPolarHBondContact O-CB 3.33Å; L107-R111 PolarHBondContact O-N 3.34Å; R108-R111 WeakPolarHBondContact O-CB 3.45Å; R108-R111 PolarHBondContact O-N 2.99Å; R111-L114 PolarHBondContact O-N 2.92Å; R111-K115 WeakPolarHBondContact O-CB 3.46Å; R111-K115 PolarHBondContact O-N 3.11Å |
| 112 | D | 98.7 | Very high | 98.6 | Very high | 84 Ų | 84 | 102 Ų | 102 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.4 | -37 | -177.4 | -60.2 | -13.6 | 0 | 0 | 0 | 111 | R108 C109 K110 K115 K116 | R108-D112 WeakPolarHBondContact O-CB 3.42Å; R108-D112 PolarHBondContact O-N 3.29Å; C109-D112 PolarHBondContact O-N 3.42Å; K110-D112 VanDerWaalsContact C-N 3.33Å; D112-K115 PolarHBondContact O-N 2.87Å; D112-K116 PolarHBondContact O-N 3.45Å |
| 113 | E | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 105.1 Ų | 105.1 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 170.8 | -176.2 | 179.1 | -163.4 | 0 | 0 | 111.9 | C109 K110 K115 K116 L117 | C109-E113 WeakPolarHBondContact O-CB 3.3Å; C109-E113 PolarHBondContact O-N 3.28Å; K110-E113 IonicContact NZ-OE2 3.78Å; K110-E113 PolarHBondContact NZ-OE2 2.99Å; K110-E113 PolarHBondContact O-N 3.48Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 3.13Å; E113-K116 WeakPolarHBondContact O-CB 3.35Å; E113-K116 PolarHBondContact O-N 3.49Å; E113-L117 HydrophobicContact CG-CD1 4.41Å; E113-L117 WeakPolarHBondContact O-CG 3.5Å; E113-L117 PolarHBondContact O-N 3.42Å |
| 114 | L | 98.8 | Very high | 98.5 | Very high | 117 Ų | 117 | 107.3 Ų | 107.3 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | 176.4 | -75.4 | 171.8 | 0 | 0 | 0 | 112.1 | K110 R111 K116 L117 W118 | K110-L114 WeakPolarHBondContact O-CG 3.28Å; K110-L114 PolarHBondContact O-N 2.93Å; R111-L114 PolarHBondContact O-N 2.92Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 3.24Å; L114-L117 PolarHBondContact O-N 3.37Å; L114-W118 WeakPolarHBondContact O-CB 3.44Å; L114-W118 PolarHBondContact O-N 3.4Å |
| 115 | K | 98.6 | Very high | 98.4 | Very high | 138 Ų | 138 | 109.3 Ų | 109.3 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 176.4 | -175.7 | 179.1 | 178.1 | -177.3 | 0 | 111.4 | R111 D112 E113 W118 L119 | R111-K115 WeakPolarHBondContact O-CB 3.46Å; R111-K115 PolarHBondContact O-N 3.11Å; D112-K115 PolarHBondContact O-N 2.87Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 3.13Å; K115-W118 PolarHBondContact O-N 3.06Å; K115-L119 HydrophobicContact CG-CD1 4.5Å; K115-L119 WeakPolarHBondContact O-CG 3.33Å; K115-L119 PolarHBondContact O-N 3.49Å; K115-L119 VanDerWaalsContact O-N 3.11Å |
| 116 | K | 98.6 | Very high | 98.4 | Very high | 129 Ų | 129 | 111 Ų | 111 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.3 | -52.7 | 175.7 | 177.8 | -179.5 | 169.2 | -179.3 | 0 | 111.1 | D112 E113 L114 W118 L119 E120 | D112-K116 PolarHBondContact O-N 3.45Å; E113-K116 WeakPolarHBondContact O-CB 3.35Å; E113-K116 PolarHBondContact O-N 3.49Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 3.24Å; K116-W118 VanDerWaalsContact C-N 3.25Å; K116-W118 PolarHBondContact O-N 2.99Å; K116-L119 PolarHBondContact O-N 3.34Å; K116-L119 VanDerWaalsContact O-N 3.12Å; K116-E120 WeakPolarHBondContact CE-OE1 3.48Å; K116-E120 IonicContact NZ-OE1 3.94Å; K116-E120 WeakPolarHBondContact O-CG 3.4Å; K116-E120 PolarHBondContact O-N 3.14Å |
| 117 | L | 98.6 | Very high | 98.3 | Very high | 91 Ų | 91 | 108.5 Ų | 108.5 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -36.7 | 179.5 | -69.6 | 172.4 | 0 | 0 | 0 | 112.5 | E113 L114 S121 | E113-L117 HydrophobicContact CG-CD1 4.41Å; E113-L117 WeakPolarHBondContact O-CG 3.5Å; E113-L117 PolarHBondContact O-N 3.42Å; L114-L117 PolarHBondContact O-N 3.37Å; L117-S121 WeakPolarHBondContact O-CB 3.36Å; L117-S121 PolarHBondContact O-N 2.85Å |
| 118 | W | 98.5 | Very high | 98.2 | Very high | 179 Ų | 179 | 106.1 Ų | 106.1 | 68% | 0.678 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -43.5 | 176.2 | -179.2 | 81.6 | 0 | 0 | 0 | 112.3 | L114 K115 K116 S121 A122 | L114-W118 WeakPolarHBondContact O-CB 3.44Å; L114-W118 PolarHBondContact O-N 3.4Å; K115-W118 PolarHBondContact O-N 3.06Å; K116-W118 VanDerWaalsContact C-N 3.25Å; K116-W118 PolarHBondContact O-N 2.99Å; W118-S121 PolarHBondContact O-N 2.9Å; W118-A122 PolarHBondContact O-N 3.31Å |
| 119 | L | 98.6 | Very high | 98.2 | Very high | 92 Ų | 92 | 107.2 Ų | 107.2 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 176.2 | -71.5 | 170.5 | 0 | 0 | 0 | 111.5 | K115 K116 S121 A122 E123 | K115-L119 HydrophobicContact CG-CD1 4.5Å; K115-L119 WeakPolarHBondContact O-CG 3.33Å; K115-L119 PolarHBondContact O-N 3.49Å; K115-L119 VanDerWaalsContact O-N 3.11Å; K116-L119 PolarHBondContact O-N 3.34Å; K116-L119 VanDerWaalsContact O-N 3.12Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 2.94Å; L119-A122 WeakPolarHBondContact O-CB 3.48Å; L119-A122 PolarHBondContact O-N 2.83Å; L119-A122 VanDerWaalsContact O-N 3.13Å; L119-E123 PolarHBondContact O-N 3.43Å |
| 120 | E | 98.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 107.4 Ų | 107.4 | 36% | 0.36 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 176.2 | -70.7 | 174.1 | 175.2 | 0 | 0 | 111.3 | K116 A122 E123 L124 | K116-E120 WeakPolarHBondContact CE-OE1 3.48Å; K116-E120 IonicContact NZ-OE1 3.94Å; K116-E120 WeakPolarHBondContact O-CG 3.4Å; K116-E120 PolarHBondContact O-N 3.14Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 3.46Å; E120-E123 PolarHBondContact O-N 3.18Å; E120-L124 WeakPolarHBondContact O-CB 3.32Å; E120-L124 WeakPolarHBondContact O-CG 3.35Å; E120-L124 PolarHBondContact O-N 2.9Å |
| 121 | S | 98.2 | Very high | 98 | Very high | 51 Ų | 51 | 106.8 Ų | 106.8 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.8 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | L117 W118 L119 K125 | L117-S121 WeakPolarHBondContact O-CB 3.36Å; L117-S121 PolarHBondContact O-N 2.85Å; W118-S121 PolarHBondContact O-N 2.9Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 2.94Å; S121-K125 VanDerWaalsContact O-CG 3.26Å; S121-K125 WeakPolarHBondContact O-CG 3.4Å; S121-K125 PolarHBondContact O-N 3.14Å |
| 122 | A | 98 | Very high | 97.8 | Very high | 46 Ų | 46 | 106.7 Ų | 106.7 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | W118 L119 E120 K125 Y126 | W118-A122 PolarHBondContact O-N 3.31Å; L119-A122 WeakPolarHBondContact O-CB 3.48Å; L119-A122 PolarHBondContact O-N 2.83Å; L119-A122 VanDerWaalsContact O-N 3.13Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 3.46Å; A122-K125 PolarHBondContact O-N 2.91Å; A122-Y126 PolarHBondContact O-N 3.49Å; A122-Y126 VanDerWaalsContact O-N 3.12Å |
| 123 | E | 97.8 | Very high | 97.6 | Very high | 131 Ų | 131 | 110.1 Ų | 110.1 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 175.2 | -176 | 174.4 | -167 | 0 | 0 | 111.6 | L119 E120 K125 Y126 V127 | L119-E123 PolarHBondContact O-N 3.43Å; E120-E123 PolarHBondContact O-N 3.18Å; E123-K125 VanDerWaalsContact C-N 3.3Å; E123-K125 PolarHBondContact O-N 3.46Å; E123-Y126 WeakPolarHBondContact O-CA 3.36Å; E123-Y126 WeakPolarHBondContact O-CB 2.79Å; E123-Y126 PolarHBondContact O-N 3.41Å; E123-V127 WeakPolarHBondContact O-CG2 3.07Å; E123-V127 PolarHBondContact O-N 2.98Å |
| 124 | L | 97.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 115.2 Ų | 115.2 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.2 | -42 | 176.4 | -74.1 | 170.8 | 0 | 0 | 0 | 112.1 | E120 Y126 V127 V128 | E120-L124 WeakPolarHBondContact O-CB 3.32Å; E120-L124 WeakPolarHBondContact O-CG 3.35Å; E120-L124 PolarHBondContact O-N 2.9Å; L124-Y126 VanDerWaalsContact C-N 3.28Å; L124-Y126 PolarHBondContact O-N 2.77Å; L124-V127 PolarHBondContact O-N 2.73Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.32Å; L124-V128 PolarHBondContact O-N 3.23Å |
| 125 | K | 97.8 | Very high | 96.8 | Very high | 129 Ų | 129 | 115.2 Ų | 115.2 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.8 | -37.6 | 175.5 | -75 | 170.9 | -174.4 | 176.4 | 0 | 112.2 | S121 A122 E123 R129 | S121-K125 VanDerWaalsContact O-CG 3.26Å; S121-K125 WeakPolarHBondContact O-CG 3.4Å; S121-K125 PolarHBondContact O-N 3.14Å; A122-K125 PolarHBondContact O-N 2.91Å; E123-K125 VanDerWaalsContact C-N 3.3Å; E123-K125 PolarHBondContact O-N 3.46Å; K125-R129 WeakPolarHBondContact O-CG 3.24Å; K125-R129 PolarHBondContact O-N 2.88Å |
| 126 | Y | 97.3 | Very high | 96.7 | Very high | 145 Ų | 145 | 113.9 Ų | 113.9 | 57% | 0.569 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.9 | -45.4 | 176.1 | 178.8 | -105.3 | 0 | 0 | 0 | 111.5 | A122 E123 L124 V128 R129 L130 | A122-Y126 PolarHBondContact O-N 3.49Å; A122-Y126 VanDerWaalsContact O-N 3.12Å; E123-Y126 WeakPolarHBondContact O-CA 3.36Å; E123-Y126 WeakPolarHBondContact O-CB 2.79Å; E123-Y126 PolarHBondContact O-N 3.41Å; L124-Y126 VanDerWaalsContact C-N 3.28Å; L124-Y126 PolarHBondContact O-N 2.77Å; Y126-V128 PolarHBondContact O-N 2.95Å; Y126-R129 PolarHBondContact O-N 3.4Å; Y126-L130 HydrophobicContact CD1-CD1 3.97Å; Y126-L130 HydrophobicContact CE1-CD1 3.41Å; Y126-L130 VanDerWaalsContact CE1-CD1 3.41Å; Y126-L130 HydrophobicContact CE1-CG 4.12Å; Y126-L130 PolarHBondContact O-N 3.22Å |
| 127 | V | 97.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 113.1 Ų | 113.1 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.6 | -45.3 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | E123 L124 R129 L130 L131 | E123-V127 WeakPolarHBondContact O-CG2 3.07Å; E123-V127 PolarHBondContact O-N 2.98Å; L124-V127 PolarHBondContact O-N 2.73Å; V127-R129 VanDerWaalsContact C-N 3.33Å; V127-R129 PolarHBondContact O-N 3.1Å; V127-L130 PolarHBondContact O-N 3.19Å; V127-L130 VanDerWaalsContact O-N 3.17Å; V127-L131 HydrophobicContact CG1-CD1 4.12Å; V127-L131 HydrophobicContact CG1-CG 4.47Å; V127-L131 WeakPolarHBondContact O-CG 3.03Å; V127-L131 PolarHBondContact O-N 2.8Å |
| 128 | V | 97.5 | Very high | 96.5 | Very high | 72 Ų | 72 | 114.4 Ų | 114.4 | 44% | 0.436 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.3 | -45.5 | 176.6 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L124 Y126 L130 L131 E132 | L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.32Å; L124-V128 PolarHBondContact O-N 3.23Å; Y126-V128 PolarHBondContact O-N 2.95Å; V128-L130 VanDerWaalsContact C-N 3.3Å; V128-L130 PolarHBondContact O-N 2.9Å; V128-L131 PolarHBondContact O-N 2.81Å; V128-L131 VanDerWaalsContact O-N 3.13Å; V128-E132 HydrophobicContact CG1-CG 4.39Å; V128-E132 WeakPolarHBondContact O-CG 3.49Å; V128-E132 PolarHBondContact O-N 3.04Å |
| 129 | R | 97 | Very high | 96.4 | Very high | 163 Ų | 163 | 110.4 Ų | 110.4 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.4 | -36.6 | 177.2 | -74.1 | 176.2 | -174.8 | -176.7 | 1.5 | 113.2 | K125 Y126 V127 Q133 | K125-R129 WeakPolarHBondContact O-CG 3.24Å; K125-R129 PolarHBondContact O-N 2.88Å; Y126-R129 PolarHBondContact O-N 3.4Å; V127-R129 VanDerWaalsContact C-N 3.33Å; V127-R129 PolarHBondContact O-N 3.1Å; R129-Q133 WeakPolarHBondContact O-CG 3.49Å; R129-Q133 PolarHBondContact O-N 3.32Å |
| 130 | L | 96.8 | Very high | 96.2 | Very high | 73 Ų | 73 | 111.6 Ų | 111.6 | 38% | 0.382 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.4 | -39.9 | 175.4 | -71 | 176.8 | 0 | 0 | 0 | 111.3 | Y126 V127 V128 E132 Q133 | Y126-L130 HydrophobicContact CD1-CD1 3.97Å; Y126-L130 HydrophobicContact CE1-CD1 3.41Å; Y126-L130 VanDerWaalsContact CE1-CD1 3.41Å; Y126-L130 HydrophobicContact CE1-CG 4.12Å; Y126-L130 PolarHBondContact O-N 3.22Å; V127-L130 PolarHBondContact O-N 3.19Å; V127-L130 VanDerWaalsContact O-N 3.17Å; V128-L130 VanDerWaalsContact C-N 3.3Å; V128-L130 PolarHBondContact O-N 2.9Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-Q133 PolarHBondContact O-N 3.47Å |
| 131 | L | 96.3 | Very high | 96.1 | Very high | 110 Ų | 110 | 114.1 Ų | 114.1 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.3 | -33.6 | 176.9 | -67.5 | 173.4 | 0 | 0 | 0 | 112.5 | V127 V128 Q133 L134 | V127-L131 HydrophobicContact CG1-CD1 4.12Å; V127-L131 HydrophobicContact CG1-CG 4.47Å; V127-L131 WeakPolarHBondContact O-CG 3.03Å; V127-L131 PolarHBondContact O-N 2.8Å; V128-L131 PolarHBondContact O-N 2.81Å; V128-L131 VanDerWaalsContact O-N 3.13Å; L131-Q133 PolarHBondContact O-N 3.42Å; L131-L134 HydrophobicContact CD2-CD1 4.34Å; L131-L134 PolarHBondContact O-N 3.24Å |
| 132 | E | 95.8 | Very high | 95.9 | Very high | 144 Ų | 144 | 118.9 Ų | 118.9 | 67% | 0.673 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -13.5 | 174.4 | -72.3 | 172.4 | 169.3 | 0 | 0 | 113.6 | V128 L130 | V128-E132 HydrophobicContact CG1-CG 4.39Å; V128-E132 WeakPolarHBondContact O-CG 3.49Å; V128-E132 PolarHBondContact O-N 3.04Å; L130-E132 VanDerWaalsContact C-N 3.33Å |
| 133 | Q | 93.3 | Very high | 95.7 | Very high | 156 Ų | 156 | 125 Ų | 125 | 73% | 0.729 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -5.3 | 178.5 | -71 | 176.2 | -7.4 | 0 | 0 | 113.9 | R129 L130 L131 | R129-Q133 WeakPolarHBondContact O-CG 3.49Å; R129-Q133 PolarHBondContact O-N 3.32Å; L130-Q133 PolarHBondContact O-N 3.47Å; L131-Q133 PolarHBondContact O-N 3.42Å |
| 134 | L | 84.1 | Confident | 95.5 | Very high | 200 Ų | 200 | 124.5 Ų | 124.5 | 100% | 1.047 | 60% | 0.597 | S | S | * | * | trans | -95.3 | 0 | 178.4 | -64 | 175.7 | 0 | 0 | 0 | 111.1 | L131 | L131-L134 HydrophobicContact CD2-CD1 4.34Å; L131-L134 PolarHBondContact O-N 3.24Å |
Retrieved 134 of 134 residues in 61.9 ms
(Link to these results)