| 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 | 50.2 | Low | 46.8 | Very low | 236 Ų | 236 | 119.6 Ų | 119.6 | 100% | 1.163 | 78% | 0.78 | S | S | * | * | 0 | 89 | 0 | -68.1 | -66.7 | -108 | 0 | 0 | 108 | |||||
| 2 | S | 38 | Very low | 47.7 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | -75.5 | 128.9 | -171.4 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | A4 | S2-A4 PolarHBondContact O-N 3.19Š| ||
| 3 | V | 45.1 | Very low | 49.2 | Very low | 147 Ų | 147 | 122 Ų | 122 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | trans | -76.6 | 103.2 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | A5 | V3-A5 PolarHBondContact O-N 3.05Š| ||
| 4 | A | 44.1 | Very low | 51 | Low | 89 Ų | 89 | 122.3 Ų | 122.3 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -68.9 | 124.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S2 | S2-A4 PolarHBondContact O-N 3.19Š| ||
| 5 | A | 39.7 | Very low | 52.6 | Low | 108 Ų | 108 | 126.9 Ų | 126.9 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | -70.4 | 124.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V3 | V3-A5 PolarHBondContact O-N 3.05Š| ||
| 6 | G | 41.5 | Very low | 54.3 | Low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 139.7 | 72.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 7 | I | 48.9 | Very low | 56.1 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 65% | 0.651 | 74% | 0.744 | S | S | * | * | trans | -133.3 | 90.7 | 162.8 | -43.2 | 172.7 | 0 | 0 | 0 | 109.5 | A9 H12 | I7-A9 HydrophobicContact CG2-CB 4.3Å; I7-A9 PolarHBondContact O-N 3.03Å; I7-H12 VanDerWaalsContact CG2-NE2 3.35Å; I7-H12 WeakPolarHBondContact CG2-NE2 3.41Å | ||
| 8 | T | 47.9 | Very low | 57.6 | Low | 150 Ų | 150 | 129.7 Ų | 129.7 | 92% | 0.92 | 75% | 0.745 | S | S | * | * | trans | -79.3 | 87.3 | 163.7 | 44.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 9 | A | 47.9 | Very low | 58.8 | Low | 42 Ų | 42 | 126.1 Ų | 126.1 | 35% | 0.347 | 74% | 0.739 | S | S | . | * | trans | -153.8 | 130.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | I7 V11 | I7-A9 HydrophobicContact CG2-CB 4.3Å; I7-A9 PolarHBondContact O-N 3.03Å; A9-V11 PolarHBondContact O-N 3.15Å | ||
| 10 | P | 56.6 | Low | 59.7 | Low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -66.4 | -1.4 | 179.5 | 25.3 | -32.2 | 0 | 0 | 0 | 114.5 | ||
| 11 | V | 54.9 | Low | 60.4 | Low | 116 Ų | 116 | 125 Ų | 125 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -79.2 | -20 | -173.7 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | A9 L13 | A9-V11 PolarHBondContact O-N 3.15Å; V11-L13 PolarHBondContact O-N 2.78Å |
| 12 | H | 57.4 | Low | 61.5 | Low | 122 Ų | 122 | 117.2 Ų | 117.2 | 57% | 0.565 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -76.2 | -3.4 | 178.9 | -68.7 | -68.1 | 0 | 0 | 0 | 115.1 | I7 | I7-H12 VanDerWaalsContact CG2-NE2 3.35Å; I7-H12 WeakPolarHBondContact CG2-NE2 3.41Å |
| 13 | L | 68.1 | Low | 63.7 | Low | 148 Ų | 148 | 114.1 Ų | 114.1 | 78% | 0.775 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -85.6 | -28.1 | -177.6 | -67.6 | 168.5 | 0 | 0 | 0 | 113 | V11 R15 | V11-L13 PolarHBondContact O-N 2.78Å; L13-R15 PolarHBondContact O-N 3.15Å; L13-R15 VanDerWaalsContact O-N 3.1Å |
| 14 | C | 73.4 | Confident | 65.6 | Low | 126 Ų | 126 | 112 Ų | 112 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | trans | -87.8 | 74 | -178.3 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 15 | R | 74.8 | Confident | 67.6 | Low | 191 Ų | 191 | 113.1 Ų | 113.1 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | trans | -115.5 | 142.9 | 173.6 | 68.6 | 179.4 | -174.8 | 149 | 1.2 | 111.3 | L13 L17 | L13-R15 PolarHBondContact O-N 3.15Å; L13-R15 VanDerWaalsContact O-N 3.1Å; R15-L17 HydrophobicContact CG-CD2 4.19Å; R15-L17 PolarHBondContact O-N 3.02Å | ||
| 16 | R | 81 | Confident | 69.9 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | trans | -69.3 | 122.1 | 169.6 | -160.8 | -167.8 | 173.6 | 107 | 35.8 | 108.5 | F18 G19 E20 P21 | R16-F18 WeakPolarHBondContact CD-O 3.31Å; R16-F18 WeakPolarHBondContact CG-O 3.46Å; R16-F18 PolarHBondContact NE-O 2.91Å; R16-G19 VanDerWaalsContact NE-C 3.31Å; R16-G19 PolarHBondContact NE-O 2.91Å; R16-G19 PolarHBondContact NH2-O 3.27Å; R16-E20 IonicContact CZ-OE2 3.76Å; R16-E20 IonicContact NH1-OE1 3.68Å; R16-E20 IonicContact NH1-OE2 2.99Å; R16-E20 PolarHBondContact NH1-OE2 3.03Å; R16-E20 VanDerWaalsContact NH2-C 3.3Å; R16-P21 VanDerWaalsContact CZ-CD 3.46Å; R16-P21 VanDerWaalsContact NH2-CB 3.28Å | ||
| 17 | L | 84 | Confident | 72.2 | Confident | 121 Ų | 121 | 115.6 Ų | 115.6 | 63% | 0.634 | 62% | 0.622 | S | S | * | * | trans | -82.2 | -28.7 | -176.3 | -63.7 | 178.1 | 0 | 0 | 0 | 113 | R15 | R15-L17 HydrophobicContact CG-CD2 4.19Å; R15-L17 PolarHBondContact O-N 3.02Å | ||
| 18 | F | 83.7 | Confident | 74.2 | Confident | 174 Ų | 174 | 113.7 Ų | 113.7 | 76% | 0.763 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -128.9 | 163.4 | -176.5 | -57.3 | -71.7 | 0 | 0 | 0 | 110 | R16 | R16-F18 WeakPolarHBondContact CD-O 3.31Å; R16-F18 WeakPolarHBondContact CG-O 3.46Å; R16-F18 PolarHBondContact NE-O 2.91Å |
| 19 | G | 79.8 | Confident | 76.3 | Confident | 61 Ų | 61 | 111.6 Ų | 111.6 | 63% | 0.629 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -59.4 | -171.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | R16 | R16-G19 VanDerWaalsContact NE-C 3.31Å; R16-G19 PolarHBondContact NE-O 2.91Å; R16-G19 PolarHBondContact NH2-O 3.27Å |
| 20 | E | 76.9 | Confident | 78.5 | Confident | 163 Ų | 163 | 113 Ų | 113 | 76% | 0.762 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -50.9 | 135.1 | -175.1 | -159.3 | 52.3 | -145.6 | 0 | 0 | 111.8 | R16 V22 | R16-E20 IonicContact CZ-OE2 3.76Å; R16-E20 IonicContact NH1-OE1 3.68Å; R16-E20 IonicContact NH1-OE2 2.99Å; R16-E20 PolarHBondContact NH1-OE2 3.03Å; R16-E20 VanDerWaalsContact NH2-C 3.3Å; E20-V22 PolarHBondContact O-N 2.95Å |
| 21 | P | 74 | Confident | 80.4 | Confident | 65 Ų | 65 | 112.6 Ų | 112.6 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -75 | 141 | -168.2 | 25.3 | -11.4 | 0 | 0 | 0 | 105 | R16 S23 I27 | R16-P21 VanDerWaalsContact CZ-CD 3.46Å; R16-P21 VanDerWaalsContact NH2-CB 3.28Å; P21-S23 PolarHBondContact O-N 3.19Å; P21-I27 HydrophobicContact CB-CD1 4.39Å |
| 22 | V | 74.5 | Confident | 82.1 | Confident | 74 Ų | 74 | 111 Ų | 111 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -50.6 | 141.1 | 158.6 | -172 | 0 | 0 | 0 | 0 | 107.2 | E20 C24 R26 I27 | E20-V22 PolarHBondContact O-N 2.95Å; V22-C24 PolarHBondContact O-N 2.93Å; V22-R26 HydrophobicContact CG1-CB 3.73Å; V22-R26 VanDerWaalsContact CG1-CD 3.42Å; V22-R26 HydrophobicContact CG1-CG 3.96Å; V22-I27 HydrophobicContact CB-CG1 4.27Å; V22-I27 WeakPolarHBondContact O-CD1 3.4Å |
| 23 | S | 83.4 | Confident | 83.9 | Confident | 63 Ų | 63 | 107.7 Ų | 107.7 | 44% | 0.441 | 56% | 0.559 | S | S | . | * | trans | -43.8 | 135.7 | -175.2 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | P21 I25 R26 I27 | P21-S23 PolarHBondContact O-N 3.19Å; S23-I25 PolarHBondContact O-N 2.9Å; S23-R26 WeakPolarHBondContact O-CA 3.41Å; S23-R26 PolarHBondContact O-N 2.9Å; S23-R26 WeakPolarHBondContact OG-CB 3.25Å; S23-R26 PolarHBondContact OG-N 2.91Å; S23-I27 PolarHBondContact O-N 3.41Å; S23-I27 VanDerWaalsContact O-N 3.08Å | ||
| 24 | C | 84.6 | Confident | 85.1 | Confident | 102 Ų | 102 | 105.4 Ų | 105.4 | 69% | 0.689 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -50 | -38.7 | -177.4 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | V22 R26 I27 Q28 | V22-C24 PolarHBondContact O-N 2.93Å; C24-R26 PolarHBondContact O-N 3.5Å; C24-I27 PolarHBondContact O-N 3.18Å; C24-Q28 WeakPolarHBondContact O-CB 3.33Å; C24-Q28 PolarHBondContact O-N 2.89Å |
| 25 | I | 87.5 | Confident | 86 | Confident | 112 Ų | 112 | 104.2 Ų | 104.2 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.3 | -47.6 | 174.5 | -60.7 | 167.2 | 0 | 0 | 0 | 111.8 | S23 I27 Q28 Q29 | S23-I25 PolarHBondContact O-N 2.9Å; I25-I27 VanDerWaalsContact C-N 3.35Å; I25-I27 PolarHBondContact O-N 3.13Å; I25-Q28 PolarHBondContact O-N 2.89Å; I25-Q29 HydrophobicContact CG2-CG 4.41Å; I25-Q29 WeakPolarHBondContact O-CB 3.45Å; I25-Q29 VanDerWaalsContact O-CG 3.27Å; I25-Q29 WeakPolarHBondContact O-CG 3.25Å; I25-Q29 PolarHBondContact O-N 3.33Å |
| 26 | R | 87.6 | Confident | 86.7 | Confident | 152 Ų | 152 | 102.2 Ų | 102.2 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.1 | -38.1 | 179.3 | -163.8 | -176.9 | -49 | 176.5 | -9.2 | 111.3 | V22 S23 C24 T30 | V22-R26 HydrophobicContact CG1-CB 3.73Å; V22-R26 VanDerWaalsContact CG1-CD 3.42Å; V22-R26 HydrophobicContact CG1-CG 3.96Å; S23-R26 WeakPolarHBondContact O-CA 3.41Å; S23-R26 PolarHBondContact O-N 2.9Å; S23-R26 WeakPolarHBondContact OG-CB 3.25Å; S23-R26 PolarHBondContact OG-N 2.91Å; C24-R26 PolarHBondContact O-N 3.5Å; R26-T30 VanDerWaalsContact O-CB 3.3Å; R26-T30 WeakPolarHBondContact O-CB 3.29Å; R26-T30 PolarHBondContact O-N 3.04Å; R26-T30 PolarHBondContact O-OG1 3.31Å |
| 27 | I | 88.4 | Confident | 87.2 | Confident | 77 Ų | 77 | 102.7 Ų | 102.7 | 40% | 0.395 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 175.3 | -63.9 | 174.5 | 0 | 0 | 0 | 109.7 | P21 V22 S23 C24 I25 T30 L31 | P21-I27 HydrophobicContact CB-CD1 4.39Å; V22-I27 HydrophobicContact CB-CG1 4.27Å; V22-I27 WeakPolarHBondContact O-CD1 3.4Å; S23-I27 PolarHBondContact O-N 3.41Å; S23-I27 VanDerWaalsContact O-N 3.08Å; C24-I27 PolarHBondContact O-N 3.18Å; I25-I27 VanDerWaalsContact C-N 3.35Å; I25-I27 PolarHBondContact O-N 3.13Å; I27-T30 PolarHBondContact O-N 3.35Å; I27-L31 HydrophobicContact CG2-CD1 4.04Å; I27-L31 HydrophobicContact CG2-CG 4.48Å; I27-L31 WeakPolarHBondContact O-CG 3.34Å; I27-L31 PolarHBondContact O-N 3.49Å |
| 28 | Q | 91.4 | Very high | 87.5 | Confident | 86 Ų | 86 | 101.1 Ų | 101.1 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -51.9 | 177.7 | -179.6 | 178 | -15.6 | 0 | 0 | 111.6 | C24 I25 T30 L31 E32 | C24-Q28 WeakPolarHBondContact O-CB 3.33Å; C24-Q28 PolarHBondContact O-N 2.89Å; I25-Q28 PolarHBondContact O-N 2.89Å; Q28-T30 VanDerWaalsContact C-N 3.25Å; Q28-T30 PolarHBondContact O-N 3.37Å; Q28-L31 PolarHBondContact O-N 3.13Å; Q28-L31 VanDerWaalsContact O-N 3.14Å; Q28-E32 HydrophobicContact CG-CG 4.43Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.45Å; Q28-E32 PolarHBondContact NE2-OE1 3.5Å; Q28-E32 WeakPolarHBondContact O-CG 3.38Å; Q28-E32 PolarHBondContact O-N 3.01Å |
| 29 | Q | 93.4 | Very high | 87.6 | Confident | 106 Ų | 106 | 96.4 Ų | 96.4 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.1 | -37.6 | 177.3 | -73 | 172 | -17.5 | 0 | 0 | 112.5 | I25 T33 | I25-Q29 HydrophobicContact CG2-CG 4.41Å; I25-Q29 WeakPolarHBondContact O-CB 3.45Å; I25-Q29 VanDerWaalsContact O-CG 3.27Å; I25-Q29 WeakPolarHBondContact O-CG 3.25Å; I25-Q29 PolarHBondContact O-N 3.33Å; Q29-T33 WeakPolarHBondContact O-CB 3.27Å; Q29-T33 PolarHBondContact O-N 2.82Å; Q29-T33 PolarHBondContact O-OG1 3.11Å |
| 30 | T | 93.6 | Very high | 87.8 | Confident | 73 Ų | 73 | 97.8 Ų | 97.8 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -47.4 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | R26 I27 Q28 T33 I34 | R26-T30 VanDerWaalsContact O-CB 3.3Å; R26-T30 WeakPolarHBondContact O-CB 3.29Å; R26-T30 PolarHBondContact O-N 3.04Å; R26-T30 PolarHBondContact O-OG1 3.31Å; I27-T30 PolarHBondContact O-N 3.35Å; Q28-T30 VanDerWaalsContact C-N 3.25Å; Q28-T30 PolarHBondContact O-N 3.37Å; T30-T33 PolarHBondContact O-N 2.83Å; T30-I34 HydrophobicContact CG2-CD1 4Å; T30-I34 WeakPolarHBondContact O-CG1 3.46Å; T30-I34 PolarHBondContact O-N 3.4Å |
| 31 | L | 95.3 | Very high | 88.2 | Confident | 96 Ų | 96 | 98 Ų | 98 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.8 | -70.9 | 173 | 0 | 0 | 0 | 111.6 | I27 Q28 T33 I34 I35 | I27-L31 HydrophobicContact CG2-CD1 4.04Å; I27-L31 HydrophobicContact CG2-CG 4.48Å; I27-L31 WeakPolarHBondContact O-CG 3.34Å; I27-L31 PolarHBondContact O-N 3.49Å; Q28-L31 PolarHBondContact O-N 3.13Å; Q28-L31 VanDerWaalsContact O-N 3.14Å; L31-T33 VanDerWaalsContact C-N 3.28Å; L31-T33 PolarHBondContact O-N 3.42Å; L31-I34 PolarHBondContact O-N 2.91Å; L31-I35 WeakPolarHBondContact O-CB 3.15Å; L31-I35 VanDerWaalsContact O-CG1 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.36Å; L31-I35 PolarHBondContact O-N 2.91Å |
| 32 | E | 92.4 | Very high | 88.7 | Confident | 83 Ų | 83 | 99 Ų | 99 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -39 | 175.6 | -73.9 | 171.5 | -175.9 | 0 | 0 | 112 | Q28 R36 | Q28-E32 HydrophobicContact CG-CG 4.43Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.45Å; Q28-E32 PolarHBondContact NE2-OE1 3.5Å; Q28-E32 WeakPolarHBondContact O-CG 3.38Å; Q28-E32 PolarHBondContact O-N 3.01Å; E32-R36 WeakPolarHBondContact O-CB 3.42Å; E32-R36 VanDerWaalsContact O-CG 3.3Å; E32-R36 WeakPolarHBondContact O-CG 2.96Å; E32-R36 PolarHBondContact O-N 3.24Å; E32-R36 PolarHBondContact O-NE 3.45Å |
| 33 | T | 93.4 | Very high | 89 | Confident | 52 Ų | 52 | 98 Ų | 98 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 112 | Q29 T30 L31 R36 K37 | Q29-T33 WeakPolarHBondContact O-CB 3.27Å; Q29-T33 PolarHBondContact O-N 2.82Å; Q29-T33 PolarHBondContact O-OG1 3.11Å; T30-T33 PolarHBondContact O-N 2.83Å; L31-T33 VanDerWaalsContact C-N 3.28Å; L31-T33 PolarHBondContact O-N 3.42Å; T33-R36 PolarHBondContact O-N 3.26Å; T33-R36 PolarHBondContact OG1-NH2 3.14Å; T33-R36 VanDerWaalsContact OG1-NH2 3.14Å; T33-K37 HydrophobicContact CG2-CD 4.48Å; T33-K37 WeakPolarHBondContact O-CG 3.37Å; T33-K37 PolarHBondContact O-N 3.49Å |
| 34 | I | 94.6 | Very high | 88.9 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 175 | -68.8 | 165.4 | 0 | 0 | 0 | 110.3 | T30 L31 R36 K37 D38 | T30-I34 HydrophobicContact CG2-CD1 4Å; T30-I34 WeakPolarHBondContact O-CG1 3.46Å; T30-I34 PolarHBondContact O-N 3.4Å; L31-I34 PolarHBondContact O-N 2.91Å; I34-R36 PolarHBondContact O-N 2.85Å; I34-K37 PolarHBondContact O-N 3.31Å; I34-D38 PolarHBondContact O-N 2.82Å |
| 35 | I | 91.1 | Very high | 88.7 | Confident | 101 Ų | 101 | 101.7 Ų | 101.7 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 178 | -68 | 165.9 | 0 | 0 | 0 | 109.9 | L31 K37 D38 L39 | L31-I35 WeakPolarHBondContact O-CB 3.15Å; L31-I35 VanDerWaalsContact O-CG1 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.36Å; L31-I35 PolarHBondContact O-N 2.91Å; I35-K37 PolarHBondContact O-N 2.89Å; I35-D38 PolarHBondContact O-N 3.47Å; I35-L39 HydrophobicContact CG2-CD1 3.94Å; I35-L39 HydrophobicContact CG2-CG 4.28Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 3.15Å |
| 36 | R | 89.4 | Confident | 88.3 | Confident | 148 Ų | 148 | 100.1 Ų | 100.1 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57.8 | -48.3 | 177.4 | -77.1 | -177.1 | -68.7 | 163 | -1.5 | 112.6 | E32 T33 I34 D38 L39 D40 | E32-R36 WeakPolarHBondContact O-CB 3.42Å; E32-R36 VanDerWaalsContact O-CG 3.3Å; E32-R36 WeakPolarHBondContact O-CG 2.96Å; E32-R36 PolarHBondContact O-N 3.24Å; E32-R36 PolarHBondContact O-NE 3.45Å; T33-R36 PolarHBondContact O-N 3.26Å; T33-R36 PolarHBondContact OG1-NH2 3.14Å; T33-R36 VanDerWaalsContact OG1-NH2 3.14Å; I34-R36 PolarHBondContact O-N 2.85Å; R36-D38 VanDerWaalsContact C-N 3.28Å; R36-D38 PolarHBondContact O-N 3.35Å; R36-L39 WeakPolarHBondContact O-CB 3.45Å; R36-L39 PolarHBondContact O-N 2.86Å; R36-L39 VanDerWaalsContact O-N 3.15Å; R36-D40 VanDerWaalsContact O-CG 3.28Å; R36-D40 PolarHBondContact O-N 3.27Å |
| 37 | K | 91.8 | Very high | 87.7 | Confident | 147 Ų | 147 | 93.9 Ų | 93.9 | 64% | 0.639 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.9 | -38 | 177.4 | -74.5 | -179.6 | 176.6 | -175.3 | 0 | 112.8 | T33 I34 I35 R41 | T33-K37 HydrophobicContact CG2-CD 4.48Å; T33-K37 WeakPolarHBondContact O-CG 3.37Å; T33-K37 PolarHBondContact O-N 3.49Å; I34-K37 PolarHBondContact O-N 3.31Å; I35-K37 PolarHBondContact O-N 2.89Å; K37-R41 WeakPolarHBondContact O-CB 3.21Å; K37-R41 PolarHBondContact O-N 3.02Å |
| 38 | D | 90.4 | Very high | 87 | Confident | 89 Ų | 89 | 91.4 Ų | 91.4 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72 | -36.3 | 177.3 | -164 | 55.3 | 0 | 0 | 0 | 111.9 | I34 I35 R36 R41 F42 | I34-D38 PolarHBondContact O-N 2.82Å; I35-D38 PolarHBondContact O-N 3.47Å; R36-D38 VanDerWaalsContact C-N 3.28Å; R36-D38 PolarHBondContact O-N 3.35Å; D38-R41 PolarHBondContact O-N 3.36Å; D38-R41 IonicContact OD1-NH1 3.7Å; D38-F42 WeakPolarHBondContact O-CB 3.32Å; D38-F42 PolarHBondContact O-N 3.47Å |
| 39 | L | 86.8 | Confident | 85.9 | Confident | 75 Ų | 75 | 91.9 Ų | 91.9 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 171.9 | -67.4 | 171.8 | 0 | 0 | 0 | 111.5 | I35 R36 R41 F42 Q43 P50 | I35-L39 HydrophobicContact CG2-CD1 3.94Å; I35-L39 HydrophobicContact CG2-CG 4.28Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 3.15Å; R36-L39 WeakPolarHBondContact O-CB 3.45Å; R36-L39 PolarHBondContact O-N 2.86Å; R36-L39 VanDerWaalsContact O-N 3.15Å; L39-R41 PolarHBondContact O-N 3.46Å; L39-F42 PolarHBondContact O-N 3.15Å; L39-Q43 VanDerWaalsContact O-CB 3.29Å; L39-Q43 WeakPolarHBondContact O-CB 3.23Å; L39-Q43 PolarHBondContact O-N 3.21Å; L39-P50 HydrophobicContact CB-CG 4.45Å; L39-P50 HydrophobicContact CD2-CB 3.58Å; L39-P50 HydrophobicContact CD2-CG 3.62Å |
| 40 | D | 83.5 | Confident | 84.6 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.8 | -65.4 | -26.5 | 0 | 0 | 0 | 111.1 | R36 F42 Q43 N44 | R36-D40 VanDerWaalsContact O-CG 3.28Å; R36-D40 PolarHBondContact O-N 3.27Å; D40-F42 VanDerWaalsContact C-N 3.34Å; D40-F42 PolarHBondContact O-N 2.9Å; D40-Q43 PolarHBondContact O-N 2.88Å; D40-N44 WeakPolarHBondContact O-CB 3.4Å; D40-N44 PolarHBondContact O-N 3.01Å; D40-N44 PolarHBondContact O-ND2 3.49Å |
| 41 | R | 86.3 | Confident | 83.2 | Confident | 169 Ų | 169 | 88.6 Ų | 88.6 | 64% | 0.638 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 175 | 180 | -175.4 | 171.8 | -129.3 | 2.3 | 111.7 | K37 D38 L39 K45 | K37-R41 WeakPolarHBondContact O-CB 3.21Å; K37-R41 PolarHBondContact O-N 3.02Å; D38-R41 PolarHBondContact O-N 3.36Å; D38-R41 IonicContact OD1-NH1 3.7Å; L39-R41 PolarHBondContact O-N 3.46Å; R41-K45 WeakPolarHBondContact O-CB 3.32Å; R41-K45 PolarHBondContact O-N 2.94Å; R41-K45 VanDerWaalsContact O-N 3.11Å |
| 42 | F | 84 | Confident | 81.5 | Confident | 85 Ų | 85 | 88.7 Ų | 88.7 | 37% | 0.373 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 177.2 | -176.5 | -82.4 | 0 | 0 | 0 | 110.9 | D38 L39 D40 K45 W46 F48 P50 | D38-F42 WeakPolarHBondContact O-CB 3.32Å; D38-F42 PolarHBondContact O-N 3.47Å; L39-F42 PolarHBondContact O-N 3.15Å; D40-F42 VanDerWaalsContact C-N 3.34Å; D40-F42 PolarHBondContact O-N 2.9Å; F42-K45 PolarHBondContact O-N 3.14Å; F42-W46 HydrophobicContact CD1-CB 4.47Å; F42-W46 AromaticContact CD1-CD1 3.97Å; F42-W46 AromaticContact CD2-CD1 3.48Å; F42-W46 VanDerWaalsContact CD2-CD1 3.48Å; F42-W46 AromaticContact CD2-NE1 3.8Å; F42-W46 HydrophobicContact CE1-CB 4.11Å; F42-W46 AromaticContact CE1-CD1 3.86Å; F42-W46 HydrophobicContact CE1-CG 4.22Å; F42-W46 AromaticContact CE2-CD1 3.35Å; F42-W46 HydrophobicContact CE2-CG 4.23Å; F42-W46 AromaticContact CE2-NE1 3.53Å; F42-W46 AromaticContact CG-CD1 3.79Å; F42-W46 HydrophobicContact CZ-CB 4.36Å; F42-W46 AromaticContact CZ-CD1 3.55Å; F42-W46 HydrophobicContact CZ-CG 4.03Å; F42-W46 WeakPolarHBondContact O-CB 3.48Å; F42-W46 PolarHBondContact O-N 3.33Å; F42-F48 HydrophobicContact CE1-CB 4.47Å; F42-F48 HydrophobicContact CE1-CD1 4.38Å; F42-P50 HydrophobicContact CD1-CG 3.76Å; F42-P50 HydrophobicContact CE1-CG 4.39Å; F42-P50 HydrophobicContact CG-CG 4.48Å |
| 43 | Q | 80.8 | Confident | 79.7 | Confident | 52 Ų | 52 | 92.5 Ų | 92.5 | 24% | 0.243 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | -180 | 179.8 | 169.2 | -33.4 | 0 | 0 | 111.4 | L39 D40 K45 W46 N47 L63 | L39-Q43 VanDerWaalsContact O-CB 3.29Å; L39-Q43 WeakPolarHBondContact O-CB 3.23Å; L39-Q43 PolarHBondContact O-N 3.21Å; D40-Q43 PolarHBondContact O-N 2.88Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 3.39Å; Q43-W46 PolarHBondContact O-N 3.42Å; Q43-N47 VanDerWaalsContact O-CA 3.25Å; Q43-N47 WeakPolarHBondContact O-CA 3.24Å; Q43-N47 PolarHBondContact O-N 3.17Å; Q43-L63 HydrophobicContact CG-CD1 3.38Å |
| 44 | N | 80.4 | Confident | 77.5 | Confident | 119 Ų | 119 | 93.2 Ų | 93.2 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.3 | -35.5 | 178.9 | -68.1 | -16.7 | 0 | 0 | 0 | 112.3 | D40 | D40-N44 WeakPolarHBondContact O-CB 3.4Å; D40-N44 PolarHBondContact O-N 3.01Å; D40-N44 PolarHBondContact O-ND2 3.49Å |
| 45 | K | 81.5 | Confident | 75.2 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.7 | -40.4 | -179.7 | -175.7 | 172.9 | -179 | 179.9 | 0 | 112.9 | R41 F42 Q43 | R41-K45 WeakPolarHBondContact O-CB 3.32Å; R41-K45 PolarHBondContact O-N 2.94Å; R41-K45 VanDerWaalsContact O-N 3.11Å; F42-K45 PolarHBondContact O-N 3.14Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 3.39Å |
| 46 | W | 79.3 | Confident | 73.2 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 30% | 0.303 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -105.7 | -5.7 | -170.4 | -66.5 | 108.5 | 0 | 0 | 0 | 113.9 | F42 Q43 F48 F81 I208 | F42-W46 HydrophobicContact CD1-CB 4.47Å; F42-W46 AromaticContact CD1-CD1 3.97Å; F42-W46 AromaticContact CD2-CD1 3.48Å; F42-W46 VanDerWaalsContact CD2-CD1 3.48Å; F42-W46 AromaticContact CD2-NE1 3.8Å; F42-W46 HydrophobicContact CE1-CB 4.11Å; F42-W46 AromaticContact CE1-CD1 3.86Å; F42-W46 HydrophobicContact CE1-CG 4.22Å; F42-W46 AromaticContact CE2-CD1 3.35Å; F42-W46 HydrophobicContact CE2-CG 4.23Å; F42-W46 AromaticContact CE2-NE1 3.53Å; F42-W46 AromaticContact CG-CD1 3.79Å; F42-W46 HydrophobicContact CZ-CB 4.36Å; F42-W46 AromaticContact CZ-CD1 3.55Å; F42-W46 HydrophobicContact CZ-CG 4.03Å; F42-W46 WeakPolarHBondContact O-CB 3.48Å; F42-W46 PolarHBondContact O-N 3.33Å; Q43-W46 PolarHBondContact O-N 3.42Å; W46-F48 HydrophobicContact CB-CB 4.18Å; W46-F48 PolarHBondContact O-N 3.11Å; W46-F48 VanDerWaalsContact O-N 3.14Å; W46-F81 HydrophobicContact CE3-CD2 4.11Å; W46-F81 HydrophobicContact CE3-CE2 4.21Å; W46-F81 HydrophobicContact CZ3-CD2 4.26Å; W46-F81 HydrophobicContact CZ3-CE2 4.06Å; W46-F81 HydrophobicContact CZ3-CZ 4.47Å; W46-I208 HydrophobicContact CE3-CD1 3.67Å; W46-I208 HydrophobicContact CH2-CD1 4.13Å; W46-I208 HydrophobicContact CZ3-CD1 3.25Å; W46-I208 HydrophobicContact CZ3-CG1 4.31Å |
| 47 | N | 74.7 | Confident | 71.3 | Confident | 21 Ų | 21 | 98.2 Ų | 98.2 | 11% | 0.112 | 49% | 0.485 | C | S | . | . | S | Bend | trans | 51.5 | 32.9 | -172.9 | -65.1 | -60.2 | 0 | 0 | 0 | 113.4 | Q43 L63 N79 | Q43-N47 VanDerWaalsContact O-CA 3.25Å; Q43-N47 WeakPolarHBondContact O-CA 3.24Å; Q43-N47 PolarHBondContact O-N 3.17Å; N47-L63 PolarHBondContact O-N 3.26Å; N47-N79 WeakPolarHBondContact ND2-CA 3.27Å; N47-N79 VanDerWaalsContact ND2-CB 3.31Å; N47-N79 WeakPolarHBondContact ND2-CB 3.32Å; N47-N79 PolarHBondContact ND2-OD1 2.9Å; N47-N79 PolarHBondContact OD1-ND2 2.99Å; N47-N79 PolarHBondContact OD1-OD1 2.77Å |
| 48 | F | 71.9 | Confident | 69.5 | Low | 24 Ų | 24 | 98.3 Ų | 98.3 | 11% | 0.105 | 49% | 0.485 | C | S | . | . | B | Isolated β-bridge | trans | -131.1 | 121 | -174.5 | -165.4 | -106.3 | 0 | 0 | 0 | 109.7 | F42 W46 P50 R60 L83 I206 | F42-F48 HydrophobicContact CE1-CB 4.47Å; F42-F48 HydrophobicContact CE1-CD1 4.38Å; W46-F48 HydrophobicContact CB-CB 4.18Å; W46-F48 PolarHBondContact O-N 3.11Å; W46-F48 VanDerWaalsContact O-N 3.14Å; F48-P50 VanDerWaalsContact O-CD 3.25Å; F48-P50 WeakPolarHBondContact O-CD 3.38Å; F48-R60 HydrophobicContact CE1-CB 4.42Å; F48-R60 HydrophobicContact CE2-CB 3.65Å; F48-R60 HydrophobicContact CZ-CB 3.35Å; F48-R60 HydrophobicContact CZ-CG 3.94Å; F48-L83 HydrophobicContact CB-CD1 3.88Å; F48-L83 HydrophobicContact CD2-CD1 3.58Å; F48-L83 HydrophobicContact CE2-CD1 4.48Å; F48-L83 HydrophobicContact CG-CD1 4.12Å; F48-I206 HydrophobicContact CD2-CD1 4.1Å; F48-I206 HydrophobicContact CE2-CD1 3.24Å; F48-I206 HydrophobicContact CZ-CD1 3.7Å |
| 49 | Q | 69.4 | Low | 67.8 | Low | 97 Ų | 97 | 100.1 Ų | 100.1 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 118.7 | 177.5 | -164.4 | 174.6 | 3.2 | 0 | 0 | 108.7 | L63 | Q49-L63 HydrophobicContact CB-CD1 3.96Å; Q49-L63 HydrophobicContact CB-CG 4.22Å |
| 50 | P | 66.6 | Low | 66.4 | Low | 22 Ų | 22 | 102.2 Ų | 102.2 | 14% | 0.143 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -58 | 150.6 | 171.7 | -21.7 | 34.4 | 0 | 0 | 0 | 110 | L39 F42 F48 N52 | L39-P50 HydrophobicContact CB-CG 4.45Å; L39-P50 HydrophobicContact CD2-CB 3.58Å; L39-P50 HydrophobicContact CD2-CG 3.62Å; F42-P50 HydrophobicContact CD1-CG 3.76Å; F42-P50 HydrophobicContact CE1-CG 4.39Å; F42-P50 HydrophobicContact CG-CG 4.48Å; F48-P50 VanDerWaalsContact O-CD 3.25Å; F48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-N52 PolarHBondContact O-N 3.11Å; P50-N52 VanDerWaalsContact O-N 3.11Å |
| 51 | P | 63.1 | Low | 65.3 | Low | 88 Ų | 88 | 105.8 Ų | 105.8 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 121.8 | -179 | 23.4 | -31.8 | 0 | 0 | 0 | 110.3 | I53 | P51-I53 PolarHBondContact O-N 2.89Š|
| 52 | N | 59.3 | Low | 64.2 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 133.5 | 158.4 | -89.3 | -28.2 | 0 | 0 | 0 | 107.1 | P50 V54 | P50-N52 PolarHBondContact O-N 3.11Å; P50-N52 VanDerWaalsContact O-N 3.11Å; N52-V54 PolarHBondContact O-N 3.21Å |
| 53 | I | 54.6 | Low | 63.1 | Low | 163 Ų | 163 | 99.1 Ų | 99.1 | 84% | 0.836 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -57.1 | -17 | -176.7 | -56.6 | 165.3 | 0 | 0 | 0 | 111 | P51 L55 | P51-I53 PolarHBondContact O-N 2.89Å; I53-L55 PolarHBondContact O-N 3.37Å |
| 54 | V | 48 | Very low | 62 | Low | 67 Ų | 67 | 98.5 Ų | 98.5 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -85.5 | 85.3 | 175.2 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | N52 Q56 Y138 | N52-V54 PolarHBondContact O-N 3.21Å; V54-Q56 PolarHBondContact O-N 3.24Å; V54-Y138 WeakPolarHBondContact CB-OH 3.48Å; V54-Y138 WeakPolarHBondContact CG1-OH 3.41Å; V54-Y138 WeakPolarHBondContact CG2-OH 3.35Å |
| 55 | L | 46.7 | Very low | 60.7 | Low | 152 Ų | 152 | 97.8 Ų | 97.8 | 80% | 0.796 | 49% | 0.491 | S | S | * | . | trans | 34.2 | 74.2 | 134.5 | -153.8 | 100.6 | 0 | 0 | 0 | 117.4 | I53 | I53-L55 PolarHBondContact O-N 3.37Š| ||
| 56 | Q | 48.7 | Very low | 59.2 | Low | 140 Ų | 140 | 95.3 Ų | 95.3 | 65% | 0.654 | 48% | 0.481 | S | S | * | . | trans | -134.9 | 118.7 | 151.4 | -71.9 | -154.2 | 14.4 | 0 | 0 | 112 | V54 K58 | V54-Q56 PolarHBondContact O-N 3.24Å; Q56-K58 HydrophobicContact CB-CG 4.49Å; Q56-K58 PolarHBondContact O-N 3.13Å; Q56-K58 VanDerWaalsContact OE1-CD 3.32Å | ||
| 57 | N | 49.2 | Very low | 57.4 | Low | 162 Ų | 162 | 98.5 Ų | 98.5 | 87% | 0.866 | 50% | 0.499 | S | S | * | . | trans | -68.2 | 33.8 | 175.1 | -68.8 | -22.4 | 0 | 0 | 0 | 113.4 | ||||
| 58 | K | 54.1 | Low | 56 | Low | 149 Ų | 149 | 103.1 Ų | 103.1 | 65% | 0.648 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -98.6 | 137.1 | -178.1 | -67.7 | -179.2 | -179.7 | 163.5 | 0 | 109.3 | Q56 R60 | Q56-K58 HydrophobicContact CB-CG 4.49Å; Q56-K58 PolarHBondContact O-N 3.13Å; Q56-K58 VanDerWaalsContact OE1-CD 3.32Å; K58-R60 PolarHBondContact O-N 3.22Å; K58-R60 VanDerWaalsContact O-N 3.15Å |
| 59 | I | 54.7 | Low | 54.6 | Low | 127 Ų | 127 | 108.4 Ų | 108.4 | 65% | 0.651 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -48.4 | 123.4 | 172.4 | -64 | 167.9 | 0 | 0 | 0 | 107.7 | K61 | I59-K61 PolarHBondContact O-N 2.96Š|
| 60 | R | 58.4 | Low | 53.3 | Low | 119 Ų | 119 | 110.2 Ų | 110.2 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 126.6 | -176.5 | -59.8 | 179.1 | -178.2 | 170.8 | -3.5 | 108.6 | F48 K58 | F48-R60 HydrophobicContact CE1-CB 4.42Å; F48-R60 HydrophobicContact CE2-CB 3.65Å; F48-R60 HydrophobicContact CZ-CB 3.35Å; F48-R60 HydrophobicContact CZ-CG 3.94Å; K58-R60 PolarHBondContact O-N 3.22Å; K58-R60 VanDerWaalsContact O-N 3.15Å |
| 61 | K | 60.3 | Low | 52 | Low | 164 Ų | 164 | 112.9 Ų | 112.9 | 71% | 0.713 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 142.7 | 178.4 | -65.6 | -175.1 | 178.8 | -176.7 | 0 | 109.6 | I59 | I59-K61 PolarHBondContact O-N 2.96Š|
| 62 | P | 62 | Low | 50.8 | Low | 28 Ų | 28 | 116 Ų | 116 | 18% | 0.182 | 62% | 0.615 | C | S | . | * | B | Isolated β-bridge | trans | -57.2 | 149 | 164.9 | 24.6 | -31.8 | 0 | 0 | 0 | 110.2 | S64 V65 L83 | P62-S64 VanDerWaalsContact C-N 3.26Å; P62-S64 PolarHBondContact O-N 3.5Å; P62-V65 HydrophobicContact CG-CG2 4.39Å; P62-L83 HydrophobicContact CB-CB 4.05Å; P62-L83 HydrophobicContact CB-CD1 4.18Å; P62-L83 HydrophobicContact CG-CB 4.29Å |
| 63 | L | 61.3 | Low | 50.2 | Low | 85 Ų | 85 | 116.9 Ų | 116.9 | 45% | 0.445 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -63.6 | -34 | 178.2 | -82.6 | 133.4 | 0 | 0 | 0 | 112.1 | Q43 N47 Q49 | Q43-L63 HydrophobicContact CG-CD1 3.38Å; N47-L63 PolarHBondContact O-N 3.26Å; Q49-L63 HydrophobicContact CB-CD1 3.96Å; Q49-L63 HydrophobicContact CB-CG 4.22Å |
| 64 | S | 57.9 | Low | 49.6 | Very low | 40 Ų | 40 | 116.8 Ų | 116.8 | 28% | 0.28 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -114.4 | 107.9 | 171.8 | 60.7 | 0 | 0 | 0 | 0 | 109.5 | P62 H66 N79 | P62-S64 VanDerWaalsContact C-N 3.26Å; P62-S64 PolarHBondContact O-N 3.5Å; S64-H66 PolarHBondContact O-N 2.96Å; S64-N79 PolarHBondContact OG-ND2 2.85Å |
| 65 | V | 52.6 | Low | 49.5 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 62% | 0.624 | 63% | 0.626 | S | S | * | * | trans | -76.1 | 100 | 162.8 | -178.1 | 0 | 0 | 0 | 0 | 105.9 | P62 Q67 | P62-V65 HydrophobicContact CG-CG2 4.39Å; V65-Q67 VanDerWaalsContact C-N 3.27Å; V65-Q67 PolarHBondContact O-N 2.86Å | ||
| 66 | H | 50.5 | Low | 49.5 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 33% | 0.333 | 62% | 0.618 | S | S | . | * | trans | -64.7 | 100.2 | 162.1 | -70.6 | -73.2 | 0 | 0 | 0 | 106.1 | S64 L68 | S64-H66 PolarHBondContact O-N 2.96Å; H66-L68 VanDerWaalsContact C-N 3.3Å; H66-L68 PolarHBondContact O-N 3.36Å | ||
| 67 | Q | 42.4 | Very low | 49.6 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | trans | -60.7 | 100.8 | 165.7 | -106.5 | -179.9 | -2.8 | 0 | 0 | 106.3 | V65 H69 | V65-Q67 VanDerWaalsContact C-N 3.27Å; V65-Q67 PolarHBondContact O-N 2.86Å; Q67-H69 WeakPolarHBondContact CB-ND1 3.44Å; Q67-H69 WeakPolarHBondContact CG-ND1 3.37Å; Q67-H69 PolarHBondContact O-N 3.21Å | ||
| 68 | L | 44.8 | Very low | 49.9 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | trans | -67.7 | 70.4 | 162.5 | -82.8 | 162.7 | 0 | 0 | 0 | 107.6 | H66 L73 | H66-L68 VanDerWaalsContact C-N 3.3Å; H66-L68 PolarHBondContact O-N 3.36Å; L68-L73 HydrophobicContact CD2-CD1 4.17Å | ||
| 69 | H | 42.4 | Very low | 50 | Low | 135 Ų | 135 | 108.2 Ų | 108.2 | 63% | 0.625 | 60% | 0.596 | S | S | * | * | trans | -85.4 | 125.3 | 160.2 | -76.8 | 61 | 0 | 0 | 0 | 106.4 | Q67 G71 | Q67-H69 WeakPolarHBondContact CB-ND1 3.44Å; Q67-H69 WeakPolarHBondContact CG-ND1 3.37Å; Q67-H69 PolarHBondContact O-N 3.21Å; H69-G71 PolarHBondContact O-N 2.95Å | ||
| 70 | S | 41.3 | Very low | 50.6 | Low | 135 Ų | 135 | 109.4 Ų | 109.4 | 94% | 0.944 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.5 | 117.9 | 170.6 | -113.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 71 | G | 39.5 | Very low | 50.9 | Low | 78 Ų | 78 | 105.8 Ų | 105.8 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.4 | -4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | H69 | H69-G71 PolarHBondContact O-N 2.95Š|
| 72 | N | 38.3 | Very low | 51.3 | Low | 155 Ų | 155 | 101.3 Ų | 101.3 | 83% | 0.829 | 57% | 0.57 | S | S | * | * | trans | -160 | 92 | 168.9 | -134.4 | -17.1 | 0 | 0 | 0 | 113.5 | Q74 | N72-Q74 PolarHBondContact O-N 3.36Å; N72-Q74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | L | 46 | Very low | 51.6 | Low | 116 Ų | 116 | 100.9 Ų | 100.9 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | trans | -77.8 | 93 | 170.8 | -97.6 | 126.8 | 0 | 0 | 0 | 109 | L68 T75 | L68-L73 HydrophobicContact CD2-CD1 4.17Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 HydrophobicContact CB-CG2 4.34Å; L73-T75 HydrophobicContact CD2-CG2 4.21Å; L73-T75 PolarHBondContact O-N 2.93Å | ||
| 74 | Q | 42.9 | Very low | 52.1 | Low | 160 Ų | 160 | 101.3 Ų | 101.3 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | trans | -67.4 | 99.1 | 151.4 | -90.8 | -165.5 | 20.1 | 0 | 0 | 107.4 | N72 N76 | N72-Q74 PolarHBondContact O-N 3.36Å; N72-Q74 VanDerWaalsContact O-N 3.15Å; Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 3.25Å | ||
| 75 | T | 46.7 | Very low | 52.9 | Low | 104 Ų | 104 | 103 Ų | 103 | 64% | 0.638 | 58% | 0.576 | S | S | * | * | trans | -74.3 | 85.5 | 172.8 | 44 | 0 | 0 | 0 | 0 | 108.5 | L73 S77 | L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 HydrophobicContact CB-CG2 4.34Å; L73-T75 HydrophobicContact CD2-CG2 4.21Å; L73-T75 PolarHBondContact O-N 2.93Å; T75-S77 PolarHBondContact O-N 3.27Å | ||
| 76 | N | 46.3 | Very low | 54.1 | Low | 118 Ų | 118 | 100 Ų | 100 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | trans | -62.7 | 111.5 | 160.5 | -72.1 | -19.1 | 0 | 0 | 0 | 106.9 | Q74 T78 | Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 3.25Å; N76-T78 VanDerWaalsContact C-N 3.25Å; N76-T78 PolarHBondContact O-N 3.21Å | ||
| 77 | S | 50 | Low | 55.4 | Low | 117 Ų | 117 | 104.1 Ų | 104.1 | 82% | 0.818 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 30.3 | -146.6 | 60 | 0 | 0 | 0 | 0 | 116.2 | T75 | T75-S77 PolarHBondContact O-N 3.27Š|
| 78 | T | 55.8 | Low | 57.2 | Low | 108 Ų | 108 | 102.1 Ų | 102.1 | 66% | 0.663 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | -9.5 | -174.5 | 46.7 | 0 | 0 | 0 | 0 | 114.8 | N76 | N76-T78 VanDerWaalsContact C-N 3.25Å; N76-T78 PolarHBondContact O-N 3.21Å |
| 79 | N | 56.4 | Low | 59.1 | Low | 43 Ų | 43 | 97.4 Ų | 97.4 | 23% | 0.23 | 56% | 0.555 | C | S | . | * | trans | -110.8 | 89 | -168.7 | -61.2 | -2.3 | 0 | 0 | 0 | 110.6 | N47 S64 F81 | N47-N79 WeakPolarHBondContact ND2-CA 3.27Å; N47-N79 VanDerWaalsContact ND2-CB 3.31Å; N47-N79 WeakPolarHBondContact ND2-CB 3.32Å; N47-N79 PolarHBondContact ND2-OD1 2.9Å; N47-N79 PolarHBondContact OD1-ND2 2.99Å; N47-N79 PolarHBondContact OD1-OD1 2.77Å; S64-N79 PolarHBondContact OG-ND2 2.85Å; N79-F81 PolarHBondContact O-N 2.75Å | ||
| 80 | E | 66.6 | Low | 61.2 | Low | 153 Ų | 153 | 94.5 Ų | 94.5 | 72% | 0.715 | 55% | 0.549 | S | S | * | . | trans | -67.6 | -10.7 | -178.7 | -66.2 | -176.3 | 164.1 | 0 | 0 | 114.1 | ||||
| 81 | F | 64.6 | Low | 63.3 | Low | 43 Ų | 43 | 92.4 Ų | 92.4 | 19% | 0.189 | 53% | 0.534 | C | S | . | . | trans | -132.6 | 131.5 | -166.9 | -55.6 | -56.2 | 0 | 0 | 0 | 112.7 | W46 N79 I208 | W46-F81 HydrophobicContact CE3-CD2 4.11Å; W46-F81 HydrophobicContact CE3-CE2 4.21Å; W46-F81 HydrophobicContact CZ3-CD2 4.26Å; W46-F81 HydrophobicContact CZ3-CE2 4.06Å; W46-F81 HydrophobicContact CZ3-CZ 4.47Å; N79-F81 PolarHBondContact O-N 2.75Å; F81-I208 HydrophobicContact CB-CG1 4.42Å; F81-I208 HydrophobicContact CB-CG2 3.76Å; F81-I208 HydrophobicContact CD1-CB 4.43Å; F81-I208 HydrophobicContact CD1-CG2 3Å; F81-I208 HydrophobicContact CD2-CG2 4.5Å; F81-I208 HydrophobicContact CE1-CG2 3.64Å; F81-I208 HydrophobicContact CG-CG2 3.49Å; F81-I208 VanDerWaalsContact CG-CG2 3.49Å | ||
| 82 | I | 68.6 | Low | 65.7 | Low | 70 Ų | 70 | 96.3 Ų | 96.3 | 36% | 0.359 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.7 | 168.2 | -59.5 | 171.2 | 0 | 0 | 0 | 107.7 | E84 | I82-E84 HydrophobicContact CG2-CG 4.18Å |
| 83 | L | 68.3 | Low | 68.1 | Low | 19 Ų | 19 | 95.6 Ų | 95.6 | 10% | 0.099 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 109.7 | -177.9 | -68.2 | -169.3 | 0 | 0 | 0 | 109.8 | F48 P62 I206 I208 | F48-L83 HydrophobicContact CB-CD1 3.88Å; F48-L83 HydrophobicContact CD2-CD1 3.58Å; F48-L83 HydrophobicContact CE2-CD1 4.48Å; F48-L83 HydrophobicContact CG-CD1 4.12Å; P62-L83 HydrophobicContact CB-CB 4.05Å; P62-L83 HydrophobicContact CB-CD1 4.18Å; P62-L83 HydrophobicContact CG-CB 4.29Å; L83-I206 HydrophobicContact CB-CG2 3.45Å; L83-I206 VanDerWaalsContact CB-CG2 3.45Å; L83-I206 HydrophobicContact CD1-CG2 4.34Å; L83-I206 HydrophobicContact CD2-CG2 3.5Å; L83-I206 HydrophobicContact CG-CG2 3.9Å; L83-I208 HydrophobicContact CD2-CD1 4.44Å; L83-I208 HydrophobicContact CD2-CG1 3.5Å; L83-I208 VanDerWaalsContact CD2-CG1 3.5Å |
| 84 | E | 73.4 | Confident | 70 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.6 | 177.1 | -70.2 | -179.4 | 170.8 | 0 | 0 | 111.9 | I82 V86 | I82-E84 HydrophobicContact CG2-CG 4.18Å; E84-V86 PolarHBondContact O-N 2.85Å |
| 85 | P | 73.6 | Confident | 72.2 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 49% | 0.494 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 119.9 | 172.5 | 28.6 | -31.7 | 0 | 0 | 0 | 110.1 | ||
| 86 | V | 77.9 | Confident | 74.2 | Confident | 39 Ų | 39 | 93.7 Ų | 93.7 | 24% | 0.236 | 51% | 0.506 | C | S | . | . | trans | -91.5 | 125.5 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | E84 P205 I207 | E84-V86 PolarHBondContact O-N 2.85Å; V86-P205 PolarHBondContact N-O 3.44Å; V86-I207 HydrophobicContact CG2-CB 4.15Å; V86-I207 HydrophobicContact CG2-CD1 3.85Å; V86-I207 HydrophobicContact CG2-CG1 3.81Å | ||
| 87 | Q | 77 | Confident | 76.3 | Confident | 158 Ų | 158 | 94 Ų | 94 | 74% | 0.738 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -70 | -35.4 | -177.5 | -66 | -66.2 | -7.8 | 0 | 0 | 113.2 | ||
| 88 | S | 81.2 | Confident | 78 | Confident | 105 Ų | 105 | 99 Ų | 99 | 73% | 0.734 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -130.2 | 69.1 | -174.6 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 89 | P | 84.4 | Confident | 79.3 | Confident | 19 Ų | 19 | 103.2 Ų | 103.2 | 12% | 0.123 | 53% | 0.525 | C | S | . | . | trans | -70.6 | 154.8 | -179.8 | 35.4 | -42.7 | 0 | 0 | 0 | 112.4 | S91 I94 P205 | P89-S91 PolarHBondContact O-N 3.44Å; P89-I94 HydrophobicContact CB-CG2 4.35Å; P89-I94 HydrophobicContact CG-CD1 4.34Å; P89-I94 HydrophobicContact CG-CG2 3.47Å; P89-I94 VanDerWaalsContact CG-CG2 3.47Å; P89-P205 VanDerWaalsContact CB-CD 3.43Å; P89-P205 HydrophobicContact CB-CG 3.07Å; P89-P205 HydrophobicContact CG-CG 3.55Å | ||
| 90 | P | 85.6 | Confident | 80.2 | Confident | 75 Ų | 75 | 108.1 Ų | 108.1 | 49% | 0.487 | 55% | 0.55 | S | S | . | * | trans | -53 | 135.9 | 166.4 | -25.1 | 33.4 | 0 | 0 | 0 | 110.9 | F92 Y93 | P90-F92 PolarHBondContact O-N 3.11Å; P90-Y93 HydrophobicContact CB-CD2 3.9Å; P90-Y93 HydrophobicContact CB-CE2 4.15Å; P90-Y93 HydrophobicContact CG-CD2 4.01Å; P90-Y93 HydrophobicContact CG-CE2 3.97Å; P90-Y93 PolarHBondContact O-N 3.32Å | ||
| 91 | S | 86.2 | Confident | 80.5 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -52.6 | -30.9 | -174.1 | 63 | 0 | 0 | 0 | 0 | 113.3 | P89 Y93 I94 K95 | P89-S91 PolarHBondContact O-N 3.44Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 PolarHBondContact O-N 3.06Å; S91-I94 VanDerWaalsContact O-CG1 3.32Å; S91-I94 WeakPolarHBondContact O-CG1 3.37Å; S91-I94 PolarHBondContact O-N 3.13Å; S91-K95 VanDerWaalsContact O-CB 3.24Å; S91-K95 WeakPolarHBondContact O-CB 3.3Å; S91-K95 PolarHBondContact O-N 3.27Å |
| 92 | F | 90.2 | Very high | 80.2 | Confident | 161 Ų | 161 | 110.1 Ų | 110.1 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -51.2 | -41.2 | 175.3 | 178 | -102 | 0 | 0 | 0 | 113.7 | P90 I94 | P90-F92 PolarHBondContact O-N 3.11Å; F92-I94 PolarHBondContact O-N 3.12Å |
| 93 | Y | 87.5 | Confident | 79.5 | Confident | 140 Ų | 140 | 116.7 Ų | 116.7 | 55% | 0.549 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77.6 | -19.8 | -175.9 | -66.9 | -73.4 | 0 | 0 | 0 | 114.2 | P90 S91 P205 | P90-Y93 HydrophobicContact CB-CD2 3.9Å; P90-Y93 HydrophobicContact CB-CE2 4.15Å; P90-Y93 HydrophobicContact CG-CD2 4.01Å; P90-Y93 HydrophobicContact CG-CE2 3.97Å; P90-Y93 PolarHBondContact O-N 3.32Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 PolarHBondContact O-N 3.06Å; Y93-P205 HydrophobicContact CG-CB 4.45Å; Y93-P205 HydrophobicContact CG-CG 4.44Å |
| 94 | I | 85.9 | Confident | 78.8 | Confident | 77 Ų | 77 | 127 Ų | 127 | 40% | 0.395 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -108.4 | -7.6 | -179.3 | 59.2 | 170.4 | 0 | 0 | 0 | 113 | P89 S91 F92 S96 V203 P205 | P89-I94 HydrophobicContact CB-CG2 4.35Å; P89-I94 HydrophobicContact CG-CD1 4.34Å; P89-I94 HydrophobicContact CG-CG2 3.47Å; P89-I94 VanDerWaalsContact CG-CG2 3.47Å; S91-I94 VanDerWaalsContact O-CG1 3.32Å; S91-I94 WeakPolarHBondContact O-CG1 3.37Å; S91-I94 PolarHBondContact O-N 3.13Å; F92-I94 PolarHBondContact O-N 3.12Å; I94-S96 PolarHBondContact O-N 2.69Å; I94-V203 WeakPolarHBondContact CG2-O 3.46Å; I94-P205 HydrophobicContact CG2-CG 3.99Å |
| 95 | K | 90.6 | Very high | 78 | Confident | 168 Ų | 168 | 133.3 Ų | 133.3 | 73% | 0.73 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 120.3 | -175.4 | -174.2 | 171.9 | -175.5 | 174.8 | 0 | 110.2 | S91 | S91-K95 VanDerWaalsContact O-CB 3.24Å; S91-K95 WeakPolarHBondContact O-CB 3.3Å; S91-K95 PolarHBondContact O-N 3.27Å |
| 96 | S | 88.5 | Confident | 77.2 | Confident | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 151.6 | 175 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | I94 R98 | I94-S96 PolarHBondContact O-N 2.69Å; S96-R98 PolarHBondContact O-N 3.27Å |
| 97 | P | 89.1 | Confident | 76.5 | Confident | 125 Ų | 125 | 139.9 Ų | 139.9 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 139.5 | 176.1 | -25.9 | 34.5 | 0 | 0 | 0 | 112 | K99 | P97-K99 PolarHBondContact O-N 2.93Š|
| 98 | R | 87.5 | Confident | 75.9 | Confident | 221 Ų | 221 | 138.1 Ų | 138.1 | 83% | 0.834 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.8 | 178.7 | -172.6 | -178.9 | -172.8 | -177.3 | 5.2 | 110.1 | S96 L100 | S96-R98 PolarHBondContact O-N 3.27Å; R98-L100 PolarHBondContact O-N 2.89Å; R98-L100 VanDerWaalsContact O-N 3.13Å |
| 99 | K | 82.6 | Confident | 75.3 | Confident | 197 Ų | 197 | 136 Ų | 136 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 118 | 170.6 | -63.8 | -173.2 | 179.9 | -176.4 | 0 | 109.7 | P97 K101 | P97-K99 PolarHBondContact O-N 2.93Å; K99-K101 PolarHBondContact O-N 2.87Å |
| 100 | L | 74.8 | Confident | 74.5 | Confident | 146 Ų | 146 | 140.5 Ų | 140.5 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 128.9 | 173.7 | -62.5 | 178 | 0 | 0 | 0 | 108.7 | R98 A102 | R98-L100 PolarHBondContact O-N 2.89Å; R98-L100 VanDerWaalsContact O-N 3.13Å; L100-A102 HydrophobicContact CB-CB 4.18Å; L100-A102 PolarHBondContact O-N 3.33Å |
| 101 | K | 72.3 | Confident | 73.6 | Confident | 186 Ų | 186 | 140.4 Ų | 140.4 | 81% | 0.809 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -72 | 17.7 | 172.8 | -70.6 | -174.7 | 175.7 | -178.5 | 0 | 113.1 | K99 F103 R104 | K99-K101 PolarHBondContact O-N 2.87Å; K101-F103 PolarHBondContact O-N 3.25Å; K101-F103 VanDerWaalsContact O-N 3.15Å; K101-R104 PolarHBondContact O-N 3.49Å |
| 102 | A | 58.5 | Low | 72.8 | Confident | 51 Ų | 51 | 141 Ų | 141 | 42% | 0.421 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -66.8 | -18.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L100 R104 | L100-A102 HydrophobicContact CB-CB 4.18Å; L100-A102 PolarHBondContact O-N 3.33Å; A102-R104 PolarHBondContact O-N 2.93Å |
| 103 | F | 54.3 | Low | 72 | Confident | 208 Ų | 208 | 138.7 Ų | 138.7 | 91% | 0.912 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -64.9 | -17.7 | 178.2 | -81.6 | -78.9 | 0 | 0 | 0 | 114.8 | K101 | K101-F103 PolarHBondContact O-N 3.25Å; K101-F103 VanDerWaalsContact O-N 3.15Å |
| 104 | R | 54.3 | Low | 71.1 | Confident | 236 Ų | 236 | 135.1 Ų | 135.1 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -99.4 | 2 | -174.2 | -63.6 | -169 | -175.3 | -179.5 | 1.1 | 115.1 | K101 A102 | K101-R104 PolarHBondContact O-N 3.49Å; A102-R104 PolarHBondContact O-N 2.93Å |
| 105 | R | 56.2 | Low | 70.3 | Confident | 227 Ų | 227 | 140.5 Ų | 140.5 | 86% | 0.857 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | 2.9 | -170.4 | -73.6 | -168.1 | 151.5 | -172.7 | -7.2 | 116.2 | ||
| 106 | L | 55.9 | Low | 69.1 | Low | 138 Ų | 138 | 137.1 Ų | 137.1 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 119.6 | 174.6 | -63.3 | 175.7 | 0 | 0 | 0 | 108.8 | ||
| 107 | P | 64.2 | Low | 67.9 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 149.2 | 161.9 | 24.2 | -31.4 | 0 | 0 | 0 | 108.4 | S109 | P107-S109 PolarHBondContact O-N 3.08Š|
| 108 | M | 64.7 | Low | 66.6 | Low | 122 Ų | 122 | 136.8 Ų | 136.8 | 60% | 0.601 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -47 | 116 | 179.1 | -73.5 | -158.4 | -62.9 | 0 | 0 | 108.9 | ||
| 109 | S | 67.7 | Low | 65.1 | Low | 59 Ų | 59 | 130.3 Ų | 130.3 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 154.2 | 178.2 | 73.2 | 0 | 0 | 0 | 0 | 108.7 | P107 A111 Q112 K113 | P107-S109 PolarHBondContact O-N 3.08Å; S109-A111 PolarHBondContact O-N 3.45Å; S109-Q112 CarbonylContact O-C 3.59Å; S109-Q112 WeakPolarHBondContact O-CA 3.15Å; S109-Q112 WeakPolarHBondContact O-CB 3.2Å; S109-Q112 PolarHBondContact O-N 2.85Å; S109-Q112 WeakPolarHBondContact OG-CB 3.17Å; S109-Q112 PolarHBondContact OG-N 3.42Å; S109-K113 PolarHBondContact O-N 3.02Å |
| 110 | V | 67.3 | Low | 63.8 | Low | 115 Ų | 115 | 128.7 Ų | 128.7 | 70% | 0.697 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -53.9 | -41.2 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 110 | Q112 K113 T114 | V110-Q112 PolarHBondContact O-N 2.73Å; V110-K113 PolarHBondContact O-N 3.47Å; V110-T114 WeakPolarHBondContact O-CB 3.48Å; V110-T114 PolarHBondContact O-N 2.82Å; V110-T114 PolarHBondContact O-OG1 3.04Å |
| 111 | A | 67.6 | Low | 62.7 | Low | 72 Ų | 72 | 130.2 Ų | 130.2 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.5 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S109 R115 | S109-A111 PolarHBondContact O-N 3.45Å; A111-R115 VanDerWaalsContact O-CB 3.29Å; A111-R115 WeakPolarHBondContact O-CB 3.42Å; A111-R115 PolarHBondContact O-N 3.14Å |
| 112 | Q | 68.4 | Low | 61.3 | Low | 102 Ų | 102 | 124.6 Ų | 124.6 | 48% | 0.477 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.8 | -38.9 | 176.7 | -170.7 | 174.9 | -6.5 | 0 | 0 | 111.6 | S109 V110 R115 M116 | S109-Q112 CarbonylContact O-C 3.59Å; S109-Q112 WeakPolarHBondContact O-CA 3.15Å; S109-Q112 WeakPolarHBondContact O-CB 3.2Å; S109-Q112 PolarHBondContact O-N 2.85Å; S109-Q112 WeakPolarHBondContact OG-CB 3.17Å; S109-Q112 PolarHBondContact OG-N 3.42Å; V110-Q112 PolarHBondContact O-N 2.73Å; Q112-R115 PolarHBondContact O-N 3.47Å; Q112-M116 WeakPolarHBondContact O-CB 3.18Å; Q112-M116 VanDerWaalsContact O-CG 3.27Å; Q112-M116 WeakPolarHBondContact O-CG 3.48Å; Q112-M116 PolarHBondContact O-N 2.82Å |
| 113 | K | 73.9 | Confident | 60.7 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 49% | 0.491 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.9 | -46.2 | 173.9 | -173 | 179.1 | 175.3 | -172.8 | 0 | 111.1 | S109 V110 R115 M116 E117 | S109-K113 PolarHBondContact O-N 3.02Å; V110-K113 PolarHBondContact O-N 3.47Å; K113-R115 PolarHBondContact O-N 3.05Å; K113-M116 PolarHBondContact O-N 2.79Å; K113-E117 VanDerWaalsContact CE-OE1 3.26Å; K113-E117 WeakPolarHBondContact CE-OE1 3.39Å; K113-E117 WeakPolarHBondContact O-CG 3.29Å; K113-E117 PolarHBondContact O-N 2.92Å |
| 114 | T | 69.6 | Low | 60.2 | Low | 66 Ų | 66 | 124.5 Ų | 124.5 | 41% | 0.405 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.5 | -41.7 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | V110 E117 L118 | V110-T114 WeakPolarHBondContact O-CB 3.48Å; V110-T114 PolarHBondContact O-N 2.82Å; V110-T114 PolarHBondContact O-OG1 3.04Å; T114-E117 PolarHBondContact O-N 3.08Å; T114-L118 HydrophobicContact CG2-CD1 4.12Å; T114-L118 WeakPolarHBondContact O-CB 3.34Å; T114-L118 WeakPolarHBondContact O-CG 3.48Å; T114-L118 PolarHBondContact O-N 2.96Å |
| 115 | R | 67.7 | Low | 59.9 | Low | 189 Ų | 189 | 118.6 Ų | 118.6 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.7 | -40.8 | 177.1 | -164.2 | 173.6 | 174.7 | 153.8 | -0 | 111.7 | A111 Q112 K113 L118 C119 | A111-R115 VanDerWaalsContact O-CB 3.29Å; A111-R115 WeakPolarHBondContact O-CB 3.42Å; A111-R115 PolarHBondContact O-N 3.14Å; Q112-R115 PolarHBondContact O-N 3.47Å; K113-R115 PolarHBondContact O-N 3.05Å; R115-L118 PolarHBondContact O-N 3.37Å; R115-C119 PolarHBondContact O-N 3.33Å; R115-C119 PolarHBondContact O-SG 3.38Å |
| 116 | M | 66.3 | Low | 59.4 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 48% | 0.478 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.4 | -37.7 | 173.1 | -75.3 | -64.2 | -54.8 | 0 | 0 | 112.6 | Q112 K113 K120 | Q112-M116 WeakPolarHBondContact O-CB 3.18Å; Q112-M116 VanDerWaalsContact O-CG 3.27Å; Q112-M116 WeakPolarHBondContact O-CG 3.48Å; Q112-M116 PolarHBondContact O-N 2.82Å; K113-M116 PolarHBondContact O-N 2.79Å; M116-K120 WeakPolarHBondContact O-CG 3.5Å; M116-K120 PolarHBondContact O-N 3.46Å |
| 117 | E | 63.2 | Low | 59 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 48% | 0.477 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.7 | -36.6 | 175.9 | -76.7 | 173.3 | -171.9 | 0 | 0 | 112.3 | K113 T114 K120 K121 | K113-E117 VanDerWaalsContact CE-OE1 3.26Å; K113-E117 WeakPolarHBondContact CE-OE1 3.39Å; K113-E117 WeakPolarHBondContact O-CG 3.29Å; K113-E117 PolarHBondContact O-N 2.92Å; T114-E117 PolarHBondContact O-N 3.08Å; E117-K120 PolarHBondContact O-N 3.13Å; E117-K121 PolarHBondContact O-N 3.39Å |
| 118 | L | 61.9 | Low | 58.1 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.9 | -42.6 | 174.2 | -75.1 | 167.7 | 0 | 0 | 0 | 112.1 | T114 R115 K120 K121 S122 | T114-L118 HydrophobicContact CG2-CD1 4.12Å; T114-L118 WeakPolarHBondContact O-CB 3.34Å; T114-L118 WeakPolarHBondContact O-CG 3.48Å; T114-L118 PolarHBondContact O-N 2.96Å; R115-L118 PolarHBondContact O-N 3.37Å; L118-K120 PolarHBondContact O-N 3.13Å; L118-K121 PolarHBondContact O-N 3.46Å; L118-S122 PolarHBondContact O-N 2.82Å |
| 119 | C | 55.7 | Low | 57 | Low | 85 Ų | 85 | 121.1 Ų | 121.1 | 57% | 0.574 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.7 | -29.6 | 175.3 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | R115 K121 | R115-C119 PolarHBondContact O-N 3.33Å; R115-C119 PolarHBondContact O-SG 3.38Å; C119-K121 VanDerWaalsContact C-N 3.31Å; C119-K121 PolarHBondContact O-N 2.76Å |
| 120 | K | 54.6 | Low | 55.6 | Low | 164 Ų | 164 | 125.5 Ų | 125.5 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.5 | -19.8 | 173.4 | -76.2 | -179.6 | 179.9 | -172 | 0 | 114.1 | M116 E117 L118 | M116-K120 WeakPolarHBondContact O-CG 3.5Å; M116-K120 PolarHBondContact O-N 3.46Å; E117-K120 PolarHBondContact O-N 3.13Å; L118-K120 PolarHBondContact O-N 3.13Å |
| 121 | K | 52.4 | Low | 54.1 | Low | 178 Ų | 178 | 126.5 Ų | 126.5 | 77% | 0.774 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -93.7 | -14.5 | 177.3 | -76 | -178.1 | 171.9 | -175.1 | 0 | 113.4 | E117 L118 C119 T123 | E117-K121 PolarHBondContact O-N 3.39Å; L118-K121 PolarHBondContact O-N 3.46Å; C119-K121 VanDerWaalsContact C-N 3.31Å; C119-K121 PolarHBondContact O-N 2.76Å; K121-T123 VanDerWaalsContact C-N 3.26Å; K121-T123 PolarHBondContact O-N 2.85Å; K121-T123 VanDerWaalsContact O-N 3.08Å |
| 122 | S | 43.6 | Very low | 52.7 | Low | 68 Ų | 68 | 131.5 Ų | 131.5 | 48% | 0.476 | 66% | 0.662 | S | S | . | * | trans | -86.5 | 58.4 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 112 | L118 | L118-S122 PolarHBondContact O-N 2.82Š| ||
| 123 | T | 45.1 | Very low | 51.2 | Low | 107 Ų | 107 | 130.5 Ų | 130.5 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | trans | -89 | 102.7 | 158 | 38.3 | 0 | 0 | 0 | 0 | 108.1 | K121 | K121-T123 VanDerWaalsContact C-N 3.26Å; K121-T123 PolarHBondContact O-N 2.85Å; K121-T123 VanDerWaalsContact O-N 3.08Å | ||
| 124 | N | 44.3 | Very low | 49.3 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 60.6 | 79.2 | 152.5 | -49.5 | -45.8 | 0 | 0 | 0 | 117.2 | ||
| 125 | S | 48.3 | Very low | 47.7 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -176 | -27.1 | 147.1 | 30.1 | 0 | 0 | 0 | 0 | 117.3 | ||
| 126 | E | 44.9 | Very low | 46.3 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 84% | 0.836 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -115.2 | 3.5 | -161 | -79 | -177.7 | 154.6 | 0 | 0 | 118 | K128 | E126-K128 PolarHBondContact O-N 2.76Š|
| 127 | L | 47.4 | Very low | 44.8 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 71% | 0.707 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 22.7 | -177.1 | -80.8 | 170.8 | 0 | 0 | 0 | 115.2 | ||
| 128 | K | 45.2 | Very low | 43.7 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -11.5 | 177.5 | -85.8 | -175.5 | 174.3 | -174.9 | 0 | 115.1 | E126 | E126-K128 PolarHBondContact O-N 2.76Š|
| 129 | D | 41.5 | Very low | 42.4 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -110.7 | 18.8 | -169.3 | -65.8 | -23.9 | 0 | 0 | 0 | 115.8 | ||
| 130 | L | 39.5 | Very low | 41.5 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -121 | 58.6 | 176.3 | -80.8 | 152 | 0 | 0 | 0 | 111.6 | Y132 | L130-Y132 VanDerWaalsContact C-N 3.27Å; L130-Y132 PolarHBondContact O-N 2.83Å | ||
| 131 | T | 34.6 | Very low | 40.5 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -73.2 | 80.1 | 163.7 | 15.1 | 0 | 0 | 0 | 0 | 109.7 | S133 | T131-S133 VanDerWaalsContact C-N 3.35Å; T131-S133 PolarHBondContact O-N 3.41Å; T131-S133 VanDerWaalsContact O-N 3.08Å | ||
| 132 | Y | 38.7 | Very low | 39.5 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 69% | 0.694 | 71% | 0.705 | S | S | * | * | trans | -75.7 | 89.8 | 164.6 | -173.6 | -98.8 | 0 | 0 | 0 | 108.7 | L130 F134 | L130-Y132 VanDerWaalsContact C-N 3.27Å; L130-Y132 PolarHBondContact O-N 2.83Å; Y132-F134 HydrophobicContact CE1-CD2 4.35Å | ||
| 133 | S | 36.5 | Very low | 39.1 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 57% | 0.566 | 71% | 0.714 | S | S | * | * | trans | -84.2 | 117.8 | 173.3 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | T131 N135 | T131-S133 VanDerWaalsContact C-N 3.35Å; T131-S133 PolarHBondContact O-N 3.41Å; T131-S133 VanDerWaalsContact O-N 3.08Å; S133-N135 VanDerWaalsContact C-N 3.31Å; S133-N135 PolarHBondContact O-N 2.99Å; S133-N135 VanDerWaalsContact O-N 3.11Å; S133-N135 PolarHBondContact OG-OD1 2.96Å; S133-N135 VanDerWaalsContact OG-OD1 3.12Å | ||
| 134 | F | 34.2 | Very low | 38.4 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | trans | -81.9 | 76.6 | 171.2 | -163 | -93.6 | 0 | 0 | 0 | 109.2 | Y132 S136 | Y132-F134 HydrophobicContact CE1-CD2 4.35Å; F134-S136 PolarHBondContact O-N 3.49Å; F134-S136 VanDerWaalsContact O-N 3.13Å | ||
| 135 | N | 36.5 | Very low | 38.1 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | trans | -81.7 | 87.3 | 172.4 | -80.6 | -8.3 | 0 | 0 | 0 | 109.7 | S133 S137 | S133-N135 VanDerWaalsContact C-N 3.31Å; S133-N135 PolarHBondContact O-N 2.99Å; S133-N135 VanDerWaalsContact O-N 3.11Å; S133-N135 PolarHBondContact OG-OD1 2.96Å; S133-N135 VanDerWaalsContact OG-OD1 3.12Å; N135-S137 PolarHBondContact O-N 3.15Å | ||
| 136 | S | 37.1 | Very low | 37.2 | Very low | 56 Ų | 56 | 135.5 Ų | 135.5 | 39% | 0.392 | 72% | 0.721 | S | S | . | * | trans | -90.4 | 78.9 | 167.4 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | F134 Y138 | F134-S136 PolarHBondContact O-N 3.49Å; F134-S136 VanDerWaalsContact O-N 3.13Å; S136-Y138 PolarHBondContact O-N 2.9Å; S136-Y138 WeakPolarHBondContact OG-CD1 3.41Å; S136-Y138 WeakPolarHBondContact OG-CE1 3.27Å | ||
| 137 | S | 35.2 | Very low | 36.7 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -82.9 | 90.5 | 172.6 | -56.1 | 0 | 0 | 0 | 0 | 109.9 | N135 | N135-S137 PolarHBondContact O-N 3.15Š| ||
| 138 | Y | 41.1 | Very low | 36.1 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 46% | 0.459 | 72% | 0.721 | S | S | . | * | trans | -100.5 | 94.6 | 161.3 | 38.2 | -100.1 | 0 | 0 | 0 | 109.1 | V54 S136 L140 | V54-Y138 WeakPolarHBondContact CB-OH 3.48Å; V54-Y138 WeakPolarHBondContact CG1-OH 3.41Å; V54-Y138 WeakPolarHBondContact CG2-OH 3.35Å; S136-Y138 PolarHBondContact O-N 2.9Å; S136-Y138 WeakPolarHBondContact OG-CD1 3.41Å; S136-Y138 WeakPolarHBondContact OG-CE1 3.27Å; Y138-L140 PolarHBondContact O-N 2.81Å | ||
| 139 | N | 33.2 | Very low | 35.4 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | trans | -79.5 | 97.2 | 156.7 | -87.1 | -25 | 0 | 0 | 0 | 107.1 | ||||
| 140 | L | 37.3 | Very low | 34.9 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | trans | -98.2 | 90.4 | 154.1 | -97.6 | 78.4 | 0 | 0 | 0 | 106.7 | Y138 N142 | Y138-L140 PolarHBondContact O-N 2.81Å; L140-N142 PolarHBondContact O-N 3.04Å; L140-N142 VanDerWaalsContact O-N 3.13Å | ||
| 141 | S | 33.9 | Very low | 34.7 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | trans | -67.6 | 97.4 | 160.1 | 49.7 | 0 | 0 | 0 | 0 | 108 | T143 | S141-T143 PolarHBondContact O-N 2.79Š| ||
| 142 | N | 30.4 | Very low | 34.4 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -77.3 | 95.6 | 156.8 | -80.3 | 0.1 | 0 | 0 | 0 | 106.7 | L140 | L140-N142 PolarHBondContact O-N 3.04Å; L140-N142 VanDerWaalsContact O-N 3.13Å | ||
| 143 | T | 36.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | trans | -129.5 | 89.9 | 163 | 52.8 | 0 | 0 | 0 | 0 | 108 | S141 T145 | S141-T143 PolarHBondContact O-N 2.79Å; T143-T145 PolarHBondContact O-N 3.38Å; T143-T145 VanDerWaalsContact O-N 3.15Å | ||
| 144 | D | 31.1 | Very low | 33.8 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | trans | -64.2 | 98 | 154.1 | -76 | -45.9 | 0 | 0 | 0 | 107.7 | ||||
| 145 | T | 37.4 | Very low | 33.9 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | -160.1 | 102.1 | 159 | 19.5 | 0 | 0 | 0 | 0 | 109 | T143 | T143-T145 PolarHBondContact O-N 3.38Å; T143-T145 VanDerWaalsContact O-N 3.15Å | ||
| 146 | L | 30.1 | Very low | 33.7 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 29.5 | 125.5 | 130.9 | -74.6 | 159.5 | 0 | 0 | 0 | 118.9 | ||||
| 147 | L | 33.2 | Very low | 33.6 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | 89 | 125 | 142.8 | -66.6 | 161.4 | 0 | 0 | 0 | 119.7 | ||||
| 148 | N | 34.2 | Very low | 33.6 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 83.2 | 107.8 | 145.3 | -98.3 | 16 | 0 | 0 | 0 | 121 | ||||
| 149 | D | 31.8 | Very low | 32.9 | Very low | 126 Ų | 126 | 149 Ų | 149 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | 49.4 | 115.4 | 122.3 | -72.7 | -10.5 | 0 | 0 | 0 | 120.2 | |||||
| 150 | N | 30.3 | Very low | 33 | Very low | 139 Ų | 139 | 147 Ų | 147 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 50.8 | 94.4 | 137.9 | -65.4 | -36.1 | 0 | 0 | 0 | 116.7 | ||||
| 151 | Q | 35.2 | Very low | 32.9 | Very low | 197 Ų | 197 | 146 Ų | 146 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | -162 | 129.1 | 129.3 | -108.3 | 161.2 | 89.8 | 0 | 0 | 112.6 | |||||
| 152 | K | 28.2 | Very low | 32.9 | Very low | 216 Ų | 216 | 150.2 Ų | 150.2 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -73.6 | 114.4 | 169.3 | -171.7 | -173.1 | -174.5 | -161.8 | 0 | 107.3 | ||||
| 153 | S | 36.7 | Very low | 33 | Very low | 90 Ų | 90 | 148.8 Ų | 148.8 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -141.8 | 120.1 | 166.6 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 154 | E | 27.5 | Very low | 32.9 | Very low | 192 Ų | 192 | 149 Ų | 149 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -48.9 | 130.5 | 163.8 | -70.8 | 166.1 | 135.6 | 0 | 0 | 110.1 | ||||
| 155 | I | 34.7 | Very low | 33.1 | Very low | 148 Ų | 148 | 147 Ų | 147 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -120.5 | 108.6 | 171.2 | -60.7 | 173.7 | 0 | 0 | 0 | 107.9 | ||||
| 156 | N | 34 | Very low | 32.8 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 136.5 | 166.5 | -68.6 | -47.9 | 0 | 0 | 0 | 111.1 | ||
| 157 | F | 34.7 | Very low | 33.2 | Very low | 206 Ų | 206 | 147 Ų | 147 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 130 | 168.1 | -73.9 | -81.9 | 0 | 0 | 0 | 110.2 | ||
| 158 | P | 34.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 129.3 | 176.2 | 28.5 | -31.4 | 0 | 0 | 0 | 111.6 | ||
| 159 | L | 26.8 | Very low | 33.2 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.3 | 164.6 | -172.7 | 79.1 | 0 | 0 | 0 | 109.1 | ||
| 160 | T | 35.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -125.6 | 94.2 | 170.8 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 161 | T | 35.5 | Very low | 34 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 39.1 | 104.8 | 134.7 | 56.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 162 | E | 32.2 | Very low | 34.3 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -63.4 | 126.9 | 156.2 | -61.7 | -177.2 | 157.3 | 0 | 0 | 110.1 | T164 | E162-T164 PolarHBondContact O-N 3.1Š| ||
| 163 | S | 33.8 | Very low | 35.2 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -87.4 | 93.4 | 172.4 | -166.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 164 | T | 33.9 | Very low | 35.4 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | -66.6 | 122.2 | 168.8 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | E162 | E162-T164 PolarHBondContact O-N 3.1Š| ||
| 165 | V | 35.6 | Very low | 35.7 | Very low | 125 Ų | 125 | 135 Ų | 135 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -103.4 | 106.2 | 164.2 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 166 | T | 30.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -76.3 | 124.8 | 172.9 | -46.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 167 | I | 39.1 | Very low | 35.9 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -110 | 110.7 | 167.1 | -59.6 | 175.5 | 0 | 0 | 0 | 107.7 | ||||
| 168 | T | 34.4 | Very low | 36 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | trans | -78.7 | 131.8 | 176.8 | -41 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 169 | P | 31.4 | Very low | 36.1 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | -101 | 136.1 | 176 | 35.6 | -26.8 | 0 | 0 | 0 | 111.3 | ||||
| 170 | N | 39 | Very low | 36.5 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -153.5 | 102 | 161 | -83.4 | -34 | 0 | 0 | 0 | 107.9 | ||||
| 171 | Q | 40.6 | Very low | 36.2 | Very low | 174 Ų | 174 | 126.8 Ų | 126.8 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | 88.3 | 150.9 | 84 | -160.2 | -166 | -15.8 | 0 | 0 | 112.3 | |||||
| 172 | P | 41.1 | Very low | 35.9 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | cis | -133.3 | -175.2 | -49.1 | 44.1 | -27.8 | 0 | 0 | 0 | 113.1 | ||||
| 173 | P | 47.1 | Very low | 35.8 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -103.1 | 177 | -168.2 | 40.1 | -31.3 | 0 | 0 | 0 | 114.7 | ||||
| 174 | P | 42.2 | Very low | 35.6 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -141.7 | 128.2 | 135.8 | 24 | -2.1 | 0 | 0 | 0 | 116.3 | ||||
| 175 | T | 33.4 | Very low | 35.3 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | 38.7 | 139.6 | 125.1 | 49.9 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 176 | S | 35 | Very low | 35.2 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | 94.7 | 129.6 | 153.8 | -38.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 177 | S | 37.4 | Very low | 35.3 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | cis | -162.6 | 153.9 | 18.3 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 178 | S | 37.4 | Very low | 34.9 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | 28.7 | 107.5 | 153.6 | 68.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 179 | T | 36.5 | Very low | 34.6 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | 33.3 | 156.1 | 120.8 | 57 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 180 | P | 35.8 | Very low | 34.4 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 49% | 0.494 | 75% | 0.751 | S | S | . | * | cis | -143.2 | 177.6 | -6.3 | 18.8 | 11.3 | 0 | 0 | 0 | 116.1 | ||||
| 181 | Y | 27.7 | Very low | 34.1 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | 65.8 | 128.6 | 159.7 | 33.9 | -110.7 | 0 | 0 | 0 | 124.5 | ||||
| 182 | K | 29 | Very low | 33.5 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | trans | 78.5 | 98.1 | 154 | -75 | -179.7 | 176.6 | 178.2 | 0 | 117.9 | ||||
| 183 | V | 31.1 | Very low | 33.1 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | 168.7 | 103.9 | 109.1 | 162.5 | 0 | 0 | 0 | 0 | 104.6 | S185 | V183-S185 PolarHBondContact O-N 3.17Š| |||
| 184 | N | 28.7 | Very low | 32.2 | Very low | 170 Ų | 170 | 134 Ų | 134 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -72.4 | 85.8 | 169.3 | -100.7 | 12.3 | 0 | 0 | 0 | 107.8 | I186 | N184-I186 PolarHBondContact O-N 3.36Š| ||
| 185 | S | 28.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | -54.6 | 103.1 | 155.5 | -61.9 | 0 | 0 | 0 | 0 | 107.1 | V183 S187 | V183-S185 PolarHBondContact O-N 3.17Å; S185-S187 VanDerWaalsContact C-N 3.34Å; S185-S187 PolarHBondContact O-N 3Å | ||
| 186 | I | 32.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | trans | -61.9 | 107.3 | 164.6 | -67.8 | 171.2 | 0 | 0 | 0 | 105 | N184 Q188 | N184-I186 PolarHBondContact O-N 3.36Å; I186-Q188 PolarHBondContact O-N 3.23Å; I186-Q188 VanDerWaalsContact O-N 3.1Å | ||
| 187 | S | 32 | Very low | 31.5 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -41 | 118.9 | 170.4 | -85.7 | 0 | 0 | 0 | 0 | 108.5 | S185 V189 | S185-S187 VanDerWaalsContact C-N 3.34Å; S185-S187 PolarHBondContact O-N 3Å; S187-V189 PolarHBondContact O-N 2.96Å | ||
| 188 | Q | 31 | Very low | 31.4 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -61.6 | 90.8 | 161.6 | -66.2 | -180 | 2.2 | 0 | 0 | 105.8 | I186 T190 | I186-Q188 PolarHBondContact O-N 3.23Å; I186-Q188 VanDerWaalsContact O-N 3.1Å; Q188-T190 PolarHBondContact O-N 3.41Å | ||
| 189 | V | 28 | Very low | 31.2 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -68.8 | 84.9 | 157.4 | -178.6 | 0 | 0 | 0 | 0 | 104.2 | S187 E191 | S187-V189 PolarHBondContact O-N 2.96Å; V189-E191 HydrophobicContact CG1-CG 4.2Å; V189-E191 PolarHBondContact O-N 2.89Å | ||
| 190 | T | 28.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | trans | -65.7 | 87.1 | 161 | -44 | 0 | 0 | 0 | 0 | 104.8 | Q188 K192 | Q188-T190 PolarHBondContact O-N 3.41Å; T190-K192 PolarHBondContact O-N 3.49Å | ||
| 191 | E | 31.4 | Very low | 31.8 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | trans | -57.5 | 99.3 | 156.1 | -82.3 | -174.1 | 170.1 | 0 | 0 | 105 | V189 L193 | V189-E191 HydrophobicContact CG1-CG 4.2Å; V189-E191 PolarHBondContact O-N 2.89Å; E191-L193 PolarHBondContact O-N 3.39Å | ||
| 192 | K | 28.7 | Very low | 32.5 | Very low | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -58 | 89.7 | 155.3 | -82.8 | -165.7 | 174.1 | -175.7 | 0 | 104.7 | T190 S194 | T190-K192 PolarHBondContact O-N 3.49Å; K192-S194 PolarHBondContact O-N 2.88Å | ||
| 193 | L | 32.1 | Very low | 33.7 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -54.9 | 103.1 | 154.4 | -126.9 | 85.7 | 0 | 0 | 0 | 103.3 | E191 E195 | E191-L193 PolarHBondContact O-N 3.39Å; L193-E195 PolarHBondContact O-N 2.91Å | ||
| 194 | S | 28.9 | Very low | 34.6 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | -53.5 | 99.5 | 162.9 | 174.2 | 0 | 0 | 0 | 0 | 105 | K192 I196 | K192-S194 PolarHBondContact O-N 2.88Å; S194-I196 PolarHBondContact O-N 3.25Å | ||
| 195 | E | 30.5 | Very low | 35.6 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | -59.7 | 92.7 | 165.6 | -75.6 | -176.9 | 154.2 | 0 | 0 | 104.8 | L193 P197 | L193-E195 PolarHBondContact O-N 2.91Å; E195-P197 WeakPolarHBondContact O-CD 3.35Å | ||
| 196 | I | 34.3 | Very low | 36.9 | Very low | 132 Ų | 132 | 115.3 Ų | 115.3 | 68% | 0.677 | 64% | 0.638 | S | S | * | * | trans | -53.8 | 114 | 162.1 | -60.8 | 170.2 | 0 | 0 | 0 | 103.7 | S194 T198 | S194-I196 PolarHBondContact O-N 3.25Å; I196-T198 PolarHBondContact O-N 3.31Å; I196-T198 PolarHBondContact O-OG1 3.31Å | ||
| 197 | P | 32 | Very low | 37.9 | Very low | 105 Ų | 105 | 111.2 Ų | 111.2 | 68% | 0.682 | 62% | 0.617 | S | S | * | * | trans | -66.5 | 97.1 | 177 | 27.2 | -29.8 | 0 | 0 | 0 | 105.1 | E195 T199 | E195-P197 WeakPolarHBondContact O-CD 3.35Å; P197-T199 PolarHBondContact O-N 2.96Å; P197-T199 PolarHBondContact O-OG1 3.4Å | ||
| 198 | T | 34.2 | Very low | 38.9 | Very low | 118 Ų | 118 | 109.8 Ų | 109.8 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | trans | -75.3 | 82.4 | 167.7 | -25.6 | 0 | 0 | 0 | 0 | 104.2 | I196 T200 | I196-T198 PolarHBondContact O-N 3.31Å; I196-T198 PolarHBondContact O-OG1 3.31Å; T198-T200 HydrophobicContact CG2-CG2 4.47Å; T198-T200 PolarHBondContact O-N 3.05Å | ||
| 199 | T | 34.6 | Very low | 39.7 | Very low | 106 Ų | 106 | 109.9 Ų | 109.9 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | trans | -64.1 | 86.1 | 170.1 | -37 | 0 | 0 | 0 | 0 | 105.8 | P197 L201 | P197-T199 PolarHBondContact O-N 2.96Å; P197-T199 PolarHBondContact O-OG1 3.4Å; T199-L201 HydrophobicContact CG2-CG 4.43Å; T199-L201 PolarHBondContact O-N 3.21Å | ||
| 200 | T | 39.5 | Very low | 40.8 | Very low | 124 Ų | 124 | 107.7 Ų | 107.7 | 76% | 0.761 | 58% | 0.583 | S | S | * | * | trans | -71.3 | 83.4 | 173.1 | 50.9 | 0 | 0 | 0 | 0 | 106.9 | T198 | T198-T200 HydrophobicContact CG2-CG2 4.47Å; T198-T200 PolarHBondContact O-N 3.05Å | ||
| 201 | L | 43.4 | Very low | 41.8 | Very low | 124 Ų | 124 | 109.9 Ų | 109.9 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | trans | -63.8 | 144 | 166.1 | -72.8 | 169.6 | 0 | 0 | 0 | 108.5 | T199 V203 | T199-L201 HydrophobicContact CG2-CG 4.43Å; T199-L201 PolarHBondContact O-N 3.21Å; L201-V203 PolarHBondContact O-N 3.32Å; L201-V203 VanDerWaalsContact O-N 3.11Å | ||
| 202 | P | 43.5 | Very low | 42.5 | Very low | 92 Ų | 92 | 108.9 Ų | 108.9 | 60% | 0.597 | 59% | 0.591 | S | S | * | * | trans | -59.6 | 118.4 | -176.5 | 24.1 | -32.7 | 0 | 0 | 0 | 109.8 | N204 | P202-N204 PolarHBondContact O-N 3.17Å; P202-N204 VanDerWaalsContact O-N 3.17Å | ||
| 203 | V | 53.9 | Low | 43.2 | Very low | 86 Ų | 86 | 105.6 Ų | 105.6 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | trans | -73.1 | 104.7 | 167.9 | 176.8 | 0 | 0 | 0 | 0 | 106.3 | I94 L201 P205 | I94-V203 WeakPolarHBondContact CG2-O 3.46Å; L201-V203 PolarHBondContact O-N 3.32Å; L201-V203 VanDerWaalsContact O-N 3.11Å; V203-P205 WeakPolarHBondContact O-CD 3.26Å | ||
| 204 | N | 49.8 | Very low | 43.7 | Very low | 46 Ų | 46 | 102.9 Ų | 102.9 | 25% | 0.246 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -61.3 | 120.9 | 173.1 | -74.6 | -11.1 | 0 | 0 | 0 | 108.7 | P202 | P202-N204 PolarHBondContact O-N 3.17Å; P202-N204 VanDerWaalsContact O-N 3.17Å |
| 205 | P | 50.6 | Low | 44.1 | Very low | 20 Ų | 20 | 105.9 Ų | 105.9 | 13% | 0.13 | 59% | 0.594 | C | S | . | * | P | Polyproline II helix | trans | -76.2 | 150.2 | 178 | 34.6 | -31.7 | 0 | 0 | 0 | 108.5 | V86 P89 Y93 I94 V203 | V86-P205 PolarHBondContact N-O 3.44Å; P89-P205 VanDerWaalsContact CB-CD 3.43Å; P89-P205 HydrophobicContact CB-CG 3.07Å; P89-P205 HydrophobicContact CG-CG 3.55Å; Y93-P205 HydrophobicContact CG-CB 4.45Å; Y93-P205 HydrophobicContact CG-CG 4.44Å; I94-P205 HydrophobicContact CG2-CG 3.99Å; V203-P205 WeakPolarHBondContact O-CD 3.26Å |
| 206 | I | 55.8 | Low | 44.6 | Very low | 42 Ų | 42 | 104.5 Ų | 104.5 | 22% | 0.215 | 59% | 0.592 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.3 | -179.4 | -64.1 | 172.9 | 0 | 0 | 0 | 106.4 | F48 L83 | F48-I206 HydrophobicContact CD2-CD1 4.1Å; F48-I206 HydrophobicContact CE2-CD1 3.24Å; F48-I206 HydrophobicContact CZ-CD1 3.7Å; L83-I206 HydrophobicContact CB-CG2 3.45Å; L83-I206 VanDerWaalsContact CB-CG2 3.45Å; L83-I206 HydrophobicContact CD1-CG2 4.34Å; L83-I206 HydrophobicContact CD2-CG2 3.5Å; L83-I206 HydrophobicContact CG-CG2 3.9Å |
| 207 | I | 54.1 | Low | 44.7 | Very low | 74 Ų | 74 | 106.9 Ų | 106.9 | 38% | 0.379 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 131.4 | 174.6 | -60.3 | -179.3 | 0 | 0 | 0 | 107.9 | V86 | V86-I207 HydrophobicContact CG2-CB 4.15Å; V86-I207 HydrophobicContact CG2-CD1 3.85Å; V86-I207 HydrophobicContact CG2-CG1 3.81Å |
| 208 | I | 52.8 | Low | 45 | Very low | 67 Ų | 67 | 110.1 Ų | 110.1 | 34% | 0.344 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.4 | 173.8 | -70 | 142.2 | 0 | 0 | 0 | 108.4 | W46 F81 L83 | W46-I208 HydrophobicContact CE3-CD1 3.67Å; W46-I208 HydrophobicContact CH2-CD1 4.13Å; W46-I208 HydrophobicContact CZ3-CD1 3.25Å; W46-I208 HydrophobicContact CZ3-CG1 4.31Å; F81-I208 HydrophobicContact CB-CG1 4.42Å; F81-I208 HydrophobicContact CB-CG2 3.76Å; F81-I208 HydrophobicContact CD1-CB 4.43Å; F81-I208 HydrophobicContact CD1-CG2 3Å; F81-I208 HydrophobicContact CD2-CG2 4.5Å; F81-I208 HydrophobicContact CE1-CG2 3.64Å; F81-I208 HydrophobicContact CG-CG2 3.49Å; F81-I208 VanDerWaalsContact CG-CG2 3.49Å; L83-I208 HydrophobicContact CD2-CD1 4.44Å; L83-I208 HydrophobicContact CD2-CG1 3.5Å; L83-I208 VanDerWaalsContact CD2-CG1 3.5Å |
| 209 | R | 48.2 | Very low | 45.3 | Very low | 178 Ų | 178 | 111.4 Ų | 111.4 | 67% | 0.672 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.9 | 166.5 | -75.2 | -179.3 | 172.4 | 157.8 | -4.3 | 108.8 | ||
| 210 | S | 50 | Low | 45.8 | Very low | 75 Ų | 75 | 112.2 Ų | 112.2 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -91.8 | 129 | 165.4 | 53.7 | 0 | 0 | 0 | 0 | 108.9 | N212 | S210-N212 PolarHBondContact O-N 3.08Š|
| 211 | N | 49.9 | Very low | 45.5 | Very low | 154 Ų | 154 | 112 Ų | 112 | 82% | 0.824 | 62% | 0.624 | S | S | * | * | trans | -81.2 | 68.7 | 170.3 | -102.3 | -0.8 | 0 | 0 | 0 | 109.3 | ||||
| 212 | N | 45.1 | Very low | 45.3 | Very low | 130 Ų | 130 | 109.2 Ų | 109.2 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | trans | -105.5 | 84.3 | 165.7 | -81.3 | -2.9 | 0 | 0 | 0 | 109.1 | S210 S214 | S210-N212 PolarHBondContact O-N 3.08Å; N212-S214 PolarHBondContact O-N 3.49Å | ||
| 213 | S | 43.1 | Very low | 45.1 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 90% | 0.902 | 64% | 0.635 | S | S | * | * | trans | -69.5 | 72.7 | 153.8 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 214 | S | 43.1 | Very low | 44.6 | Very low | 83 Ų | 83 | 113.5 Ų | 113.5 | 58% | 0.58 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -159.9 | 116.6 | 157.8 | 48.7 | 0 | 0 | 0 | 0 | 108.4 | N212 N216 | N212-S214 PolarHBondContact O-N 3.49Å; S214-N216 VanDerWaalsContact C-N 3.29Å; S214-N216 PolarHBondContact O-N 2.81Å |
| 215 | N | 38.8 | Very low | 44.4 | Very low | 164 Ų | 164 | 117.2 Ų | 117.2 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | trans | -62.2 | 93.2 | 167.2 | -67.4 | -35.8 | 0 | 0 | 0 | 107.8 | ||||
| 216 | N | 39.5 | Very low | 43.7 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | trans | -173.5 | 110.7 | 148.5 | -87.7 | -27.7 | 0 | 0 | 0 | 108 | S214 M218 | S214-N216 VanDerWaalsContact C-N 3.29Å; S214-N216 PolarHBondContact O-N 2.81Å; N216-M218 VanDerWaalsContact C-N 3.29Å; N216-M218 PolarHBondContact O-N 2.85Å | ||
| 217 | I | 36.3 | Very low | 43.3 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 93% | 0.933 | 73% | 0.732 | S | S | * | * | trans | -66.4 | 93 | 170.8 | -61.9 | 168.2 | 0 | 0 | 0 | 106.6 | ||||
| 218 | M | 38.2 | Very low | 42.7 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -124.7 | 110.3 | 167.9 | -132.2 | 161.7 | 78.6 | 0 | 0 | 107.3 | N216 | N216-M218 VanDerWaalsContact C-N 3.29Å; N216-M218 PolarHBondContact O-N 2.85Å | ||
| 219 | L | 41.6 | Very low | 42 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -49.4 | 139.4 | 172 | -75.1 | 148.4 | 0 | 0 | 0 | 109.4 | S221 | L219-S221 PolarHBondContact O-N 2.77Š| ||
| 220 | P | 44.4 | Very low | 41.8 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -64.2 | 101.4 | 173.8 | 25 | -30.2 | 0 | 0 | 0 | 108.9 | G222 | P220-G222 PolarHBondContact O-N 3.09Å; P220-G222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | S | 33.5 | Very low | 41.7 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -80.7 | 78.1 | 164.7 | -58.7 | 0 | 0 | 0 | 0 | 106.9 | L219 S223 | L219-S221 PolarHBondContact O-N 2.77Å; S221-S223 PolarHBondContact O-N 2.92Å | ||
| 222 | G | 39.4 | Very low | 41.5 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -84.9 | 105.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P220 N224 | P220-G222 PolarHBondContact O-N 3.09Å; P220-G222 VanDerWaalsContact O-N 3.13Å; G222-N224 PolarHBondContact O-N 3.26Å | ||
| 223 | S | 40 | Very low | 41.5 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -55.3 | 112.9 | 171.7 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | S221 | S221-S223 PolarHBondContact O-N 2.92Š| ||
| 224 | N | 42.6 | Very low | 41.6 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -120.4 | 131.8 | 159.5 | -89.9 | -24.9 | 0 | 0 | 0 | 108.9 | G222 | G222-N224 PolarHBondContact O-N 3.26Š| ||
| 225 | P | 46.3 | Very low | 41.7 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 133.5 | -179.3 | 30.7 | -31.5 | 0 | 0 | 0 | 111.7 | ||||
| 226 | S | 35.5 | Very low | 42 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 45 | 86 | 150.3 | -163.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 227 | S | 45.9 | Very low | 42.1 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -117.9 | 109.7 | 147.7 | 169.3 | 0 | 0 | 0 | 0 | 107.4 | H229 | S227-H229 VanDerWaalsContact C-N 3.27Å; S227-H229 PolarHBondContact O-N 2.93Å | ||
| 228 | Q | 43.4 | Very low | 42.2 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -71.8 | 75.7 | -176.9 | -69.5 | 178.9 | -12.9 | 0 | 0 | 111.2 | ||||
| 229 | H | 37 | Very low | 42.6 | Very low | 169 Ų | 169 | 141 Ų | 141 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -136.1 | 77.5 | 158.6 | -91.4 | -72 | 0 | 0 | 0 | 109.2 | S227 I231 | S227-H229 VanDerWaalsContact C-N 3.27Å; S227-H229 PolarHBondContact O-N 2.93Å; H229-I231 PolarHBondContact O-N 2.95Å | ||
| 230 | S | 44.7 | Very low | 42.6 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -76.9 | 102.2 | 168.8 | 63.9 | 0 | 0 | 0 | 0 | 109.2 | K232 | S230-K232 VanDerWaalsContact C-N 3.35Å; S230-K232 PolarHBondContact O-N 2.83Å | ||
| 231 | I | 48 | Very low | 42.8 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -74.1 | 94.9 | 164.5 | -58.2 | 174.1 | 0 | 0 | 0 | 106.4 | H229 L233 | H229-I231 PolarHBondContact O-N 2.95Å; I231-L233 PolarHBondContact O-N 2.84Å; I231-L233 VanDerWaalsContact O-N 3.13Å | ||
| 232 | K | 46.2 | Very low | 43.5 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -69.7 | 106.5 | 168.5 | -75.2 | -178.3 | 179.5 | 178.4 | 0 | 107.5 | S230 I234 | S230-K232 VanDerWaalsContact C-N 3.35Å; S230-K232 PolarHBondContact O-N 2.83Å; K232-I234 VanDerWaalsContact C-N 3.33Å; K232-I234 PolarHBondContact O-N 3.23Å | ||
| 233 | L | 44.4 | Very low | 43.9 | Very low | 157 Ų | 157 | 152 Ų | 152 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -64.4 | 99 | 164 | -68 | 173.8 | 0 | 0 | 0 | 107.2 | I231 K235 | I231-L233 PolarHBondContact O-N 2.84Å; I231-L233 VanDerWaalsContact O-N 3.13Å; L233-K235 PolarHBondContact O-N 2.91Å | ||
| 234 | I | 46 | Very low | 44.2 | Very low | 149 Ų | 149 | 152 Ų | 152 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -63.8 | 108 | 169.1 | -62.5 | 170.2 | 0 | 0 | 0 | 105.8 | K232 S236 | K232-I234 VanDerWaalsContact C-N 3.33Å; K232-I234 PolarHBondContact O-N 3.23Å; I234-S236 PolarHBondContact O-N 3.4Å; I234-S236 VanDerWaalsContact O-N 3.13Å | ||
| 235 | K | 44.5 | Very low | 44.6 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -65.6 | 109.2 | 165.5 | -68.5 | -179.5 | -179.7 | 178.8 | 0 | 105.9 | L233 D237 | L233-K235 PolarHBondContact O-N 2.91Å; K235-D237 VanDerWaalsContact C-N 3.31Å; K235-D237 PolarHBondContact O-N 2.93Å | ||
| 236 | S | 45 | Very low | 44.9 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -67 | 96.9 | 169.4 | -53.4 | 0 | 0 | 0 | 0 | 107.9 | I234 R238 | I234-S236 PolarHBondContact O-N 3.4Å; I234-S236 VanDerWaalsContact O-N 3.13Å; S236-R238 PolarHBondContact O-N 3.1Å | ||
| 237 | D | 41.6 | Very low | 45.5 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -57.5 | 127.2 | 166.1 | -96.5 | -35.9 | 0 | 0 | 0 | 109.3 | K235 | K235-D237 VanDerWaalsContact C-N 3.31Å; K235-D237 PolarHBondContact O-N 2.93Å | ||
| 238 | R | 38.1 | Very low | 45.8 | Very low | 233 Ų | 233 | 152.2 Ų | 152.2 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | 49.2 | 76 | 155.2 | -60.1 | -173.1 | 173.1 | -160 | -1.4 | 116.5 | S236 | S236-R238 PolarHBondContact O-N 3.1Š| ||
| 239 | L | 46.5 | Very low | 46.2 | Very low | 150 Ų | 150 | 148.5 Ų | 148.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -121.1 | 101.1 | 144.7 | -72 | 174 | 0 | 0 | 0 | 109 | L241 | L239-L241 HydrophobicContact CB-CD1 4.31Å; L239-L241 PolarHBondContact O-N 3.05Å | ||
| 240 | S | 41.8 | Very low | 46.6 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -59.9 | 79.6 | 165.7 | 53.8 | 0 | 0 | 0 | 0 | 109.8 | K242 | S240-K242 PolarHBondContact O-N 3.14Š| ||
| 241 | L | 48.9 | Very low | 46.9 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | -76.5 | 94.4 | 169.9 | -88.5 | 136 | 0 | 0 | 0 | 107.8 | L239 K243 | L239-L241 HydrophobicContact CB-CD1 4.31Å; L239-L241 PolarHBondContact O-N 3.05Å; L241-K243 PolarHBondContact O-N 2.98Å | ||
| 242 | K | 47.8 | Very low | 47.1 | Very low | 192 Ų | 192 | 152.9 Ų | 152.9 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -35 | 130.7 | 165.1 | -74.7 | -178.4 | 168.8 | -179.8 | 0 | 109.9 | S240 S244 | S240-K242 PolarHBondContact O-N 3.14Å; K242-S244 VanDerWaalsContact C-N 3.34Å; K242-S244 PolarHBondContact O-N 3.07Å | ||
| 243 | K | 48.8 | Very low | 47.3 | Very low | 219 Ų | 219 | 148.3 Ų | 148.3 | 95% | 0.952 | 78% | 0.777 | S | S | * | * | trans | -42.6 | 92.8 | 166.8 | -85.6 | 167.6 | 166.2 | 171.8 | 0 | 110.6 | L241 | L241-K243 PolarHBondContact O-N 2.98Š| ||
| 244 | S | 44.9 | Very low | 47.7 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -96.4 | 84.4 | 160.4 | 64.4 | 0 | 0 | 0 | 0 | 106.7 | K242 | K242-S244 VanDerWaalsContact C-N 3.34Å; K242-S244 PolarHBondContact O-N 3.07Å | ||
| 245 | G | 52.4 | Low | 48 | Very low | 56 Ų | 56 | 149.3 Ų | 149.3 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | trans | -62.2 | 153.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | K247 | G245-K247 PolarHBondContact O-N 2.83Å; G245-K247 VanDerWaalsContact O-N 3.09Å | ||
| 246 | P | 51.4 | Low | 48.5 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -60.2 | 118.3 | 176.2 | -12 | 25.3 | 0 | 0 | 0 | 108.7 | V248 | P246-V248 VanDerWaalsContact C-N 3.28Å; P246-V248 PolarHBondContact O-N 3.36Å | ||
| 247 | K | 49 | Very low | 48.5 | Very low | 201 Ų | 201 | 157.2 Ų | 157.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -66.5 | 94 | 164 | -89.7 | 180 | 172.1 | 177.8 | 0 | 107 | G245 T249 | G245-K247 PolarHBondContact O-N 2.83Å; G245-K247 VanDerWaalsContact O-N 3.09Å; K247-T249 PolarHBondContact O-N 3.33Å | ||
| 248 | V | 51.3 | Low | 49.1 | Very low | 117 Ų | 117 | 161.8 Ų | 161.8 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | -66.1 | 101.4 | 163.5 | 178.5 | 0 | 0 | 0 | 0 | 105.7 | P246 D250 | P246-V248 VanDerWaalsContact C-N 3.28Å; P246-V248 PolarHBondContact O-N 3.36Å; V248-D250 PolarHBondContact O-N 2.86Å; V248-D250 VanDerWaalsContact O-N 3.14Å | ||
| 249 | T | 51.7 | Low | 49.4 | Very low | 98 Ų | 98 | 159.7 Ų | 159.7 | 60% | 0.601 | 79% | 0.794 | S | S | * | * | trans | -67.6 | 105.9 | 170.1 | 44.2 | 0 | 0 | 0 | 0 | 108.1 | K247 Y251 | K247-T249 PolarHBondContact O-N 3.33Å; T249-Y251 HydrophobicContact CG2-CE2 4.25Å; T249-Y251 PolarHBondContact O-N 2.8Å | ||
| 250 | D | 45 | Very low | 49.7 | Very low | 131 Ų | 131 | 158.1 Ų | 158.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -67.2 | 77.2 | 174.4 | -79.4 | -30 | 0 | 0 | 0 | 110.9 | V248 F252 A253 | V248-D250 PolarHBondContact O-N 2.86Å; V248-D250 VanDerWaalsContact O-N 3.14Å; D250-F252 PolarHBondContact O-N 3.25Å; D250-A253 HydrophobicContact CB-CB 4.39Å | ||
| 251 | Y | 52.5 | Low | 49.8 | Very low | 192 Ų | 192 | 161.1 Ų | 161.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 2.9 | 173.5 | -88.8 | -84.3 | 0 | 0 | 0 | 113.7 | T249 | T249-Y251 HydrophobicContact CG2-CE2 4.25Å; T249-Y251 PolarHBondContact O-N 2.8Å |
| 252 | F | 50.3 | Low | 49.7 | Very low | 190 Ų | 190 | 167.1 Ų | 167.1 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 23.5 | -177.8 | -66.1 | -77.1 | 0 | 0 | 0 | 114.4 | D250 V254 | D250-F252 PolarHBondContact O-N 3.25Å; F252-V254 VanDerWaalsContact C-N 3.27Å; F252-V254 PolarHBondContact O-N 3.39Å |
| 253 | A | 51.9 | Low | 49.8 | Very low | 77 Ų | 77 | 165.9 Ų | 165.9 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | trans | -69.2 | 87.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | D250 K255 | D250-A253 HydrophobicContact CB-CB 4.39Å; A253-K255 PolarHBondContact O-N 2.86Å | ||
| 254 | V | 51.5 | Low | 49.9 | Very low | 123 Ų | 123 | 163.1 Ų | 163.1 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | trans | -57.3 | 105.8 | 168.3 | 174.6 | 0 | 0 | 0 | 0 | 108 | F252 R256 | F252-V254 VanDerWaalsContact C-N 3.27Å; F252-V254 PolarHBondContact O-N 3.39Å; V254-R256 PolarHBondContact O-N 3.19Å | ||
| 255 | K | 52.1 | Low | 50.2 | Low | 204 Ų | 204 | 165.8 Ų | 165.8 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -58.3 | 92.9 | 170.1 | -91.3 | 178.9 | 172.3 | 174.2 | 0 | 109.6 | A253 R257 | A253-K255 PolarHBondContact O-N 2.86Å; K255-R257 PolarHBondContact O-N 3.24Å | ||
| 256 | R | 55.3 | Low | 50 | Low | 228 Ų | 228 | 172.3 Ų | 172.3 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -78.5 | 97.4 | 158.6 | -76.3 | -168.5 | -172.4 | 167.4 | 2.5 | 108.4 | V254 R258 | V254-R256 PolarHBondContact O-N 3.19Å; R256-R258 PolarHBondContact O-N 3.03Å | ||
| 257 | R | 45.6 | Very low | 50 | Low | 240 Ų | 240 | 175.3 Ų | 175.3 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -65.1 | 105.2 | 168 | -143.6 | 179.3 | -161.9 | 163 | 2.1 | 107.3 | K255 | K255-R257 PolarHBondContact O-N 3.24Š| ||
| 258 | R | 53.5 | Low | 50 | Low | 237 Ų | 237 | 173.6 Ų | 173.6 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -92.5 | 110.1 | 162.6 | -81.7 | -168.4 | 166.4 | -171.3 | -3.8 | 107.6 | R256 | R256-R258 PolarHBondContact O-N 3.03Š| ||
| 259 | Q | 46.1 | Very low | 49.9 | Very low | 188 Ų | 188 | 177.6 Ų | 177.6 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | -68.7 | 130.8 | 158.4 | -71.6 | -174.4 | -17.7 | 0 | 0 | 107.5 | ||||
| 260 | S | 52.3 | Low | 49.8 | Very low | 118 Ų | 118 | 183.8 Ų | 183.8 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | -135.6 | 138.1 | 165.7 | -179.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 261 | M | 43.8 | Very low | 50.2 | Low | 181 Ų | 181 | 188.2 Ų | 188.2 | 89% | 0.892 | 86% | 0.861 | S | S | * | * | trans | -66.1 | 152.1 | -165.4 | -52.6 | -154.3 | 96.9 | 0 | 0 | 114 | ||||
| 262 | K | 47.3 | Very low | 50 | Low | 280 Ų | 280 | 187.8 Ų | 187.8 | 100% | 1.217 | 87% | 0.87 | S | S | * | * | trans | -110.6 | 0 | 136.9 | -94.2 | -173.5 | 175.8 | -178.6 | 0 | 107 |
Retrieved 262 of 262 residues in 107.3 ms
(Link to these results)