| 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 | 48.2 | Very low | 63.5 | Low | 246 Ų | 246 | 135.7 Ų | 135.7 | 100% | 1.212 | 80% | 0.795 | S | S | * | * | 0 | 111.2 | 0 | -67.2 | 164.8 | 179.2 | 0 | 0 | 107.4 | |||||
| 2 | K | 51.6 | Low | 63.8 | Low | 210 Ų | 210 | 140.7 Ų | 140.7 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | -108.4 | 105.7 | 175.1 | -71.3 | -166.6 | 175.3 | -172.6 | 0 | 107.3 | S4 | K2-S4 PolarHBondContact O-N 3.27Š| ||
| 3 | A | 57.4 | Low | 63.9 | Low | 96 Ų | 96 | 142.3 Ų | 142.3 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -73.7 | 110.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | V5 | A3-V5 PolarHBondContact O-N 3.09Š| ||
| 4 | S | 65.7 | Low | 64 | Low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 104.2 | 172.2 | -64.4 | 0 | 0 | 0 | 0 | 108.5 | K2 V6 | K2-S4 PolarHBondContact O-N 3.27Å; S4-V6 PolarHBondContact O-N 3.35Å | ||
| 5 | V | 65.3 | Low | 64.2 | Low | 127 Ų | 127 | 139.8 Ų | 139.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -74.5 | 105.9 | 171.5 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | A3 L7 | A3-V5 PolarHBondContact O-N 3.09Å; V5-L7 PolarHBondContact O-N 3.23Å | ||
| 6 | V | 67.3 | Low | 63.6 | Low | 124 Ų | 124 | 137.1 Ų | 137.1 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -79 | 99.9 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | S4 S8 | S4-V6 PolarHBondContact O-N 3.35Å; V6-S8 PolarHBondContact O-N 3.23Å | ||
| 7 | L | 65 | Low | 63.3 | Low | 137 Ų | 137 | 135.5 Ų | 135.5 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | -81.1 | 91 | 176.1 | -160.2 | 77 | 0 | 0 | 0 | 108.8 | V5 L9 | V5-L7 PolarHBondContact O-N 3.23Å; L7-L9 PolarHBondContact O-N 3.29Å | ||
| 8 | S | 67.9 | Low | 62.9 | Low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -69 | 96.2 | 173.7 | -81.2 | 0 | 0 | 0 | 0 | 110.4 | V6 I10 | V6-S8 PolarHBondContact O-N 3.23Å; S8-I10 PolarHBondContact O-N 2.89Å; S8-I10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | L | 67.3 | Low | 62.7 | Low | 155 Ų | 155 | 135.3 Ų | 135.3 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -75.6 | 91.4 | 167.5 | -74.1 | 159.4 | 0 | 0 | 0 | 108.4 | L7 G11 | L7-L9 PolarHBondContact O-N 3.29Å; L9-G11 VanDerWaalsContact C-N 3.31Å; L9-G11 PolarHBondContact O-N 2.85Å | ||
| 10 | I | 69.9 | Low | 63.6 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | trans | -67.9 | 96.8 | 166.5 | -59.5 | 172.2 | 0 | 0 | 0 | 106.3 | S8 Y12 | S8-I10 PolarHBondContact O-N 2.89Å; S8-I10 VanDerWaalsContact O-N 3.12Å; I10-Y12 HydrophobicContact CB-CE2 4.36Å; I10-Y12 HydrophobicContact CG2-CD2 4.42Å; I10-Y12 HydrophobicContact CG2-CE1 4.37Å; I10-Y12 HydrophobicContact CG2-CE2 4.14Å; I10-Y12 WeakPolarHBondContact O-CD2 3.47Å; I10-Y12 PolarHBondContact O-N 3.36Å | ||
| 11 | G | 72.4 | Confident | 65.1 | Low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | trans | -66.7 | 99 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | L9 L13 | L9-G11 VanDerWaalsContact C-N 3.31Å; L9-G11 PolarHBondContact O-N 2.85Å; G11-L13 VanDerWaalsContact C-N 3.34Å; G11-L13 PolarHBondContact O-N 3.28Å | ||
| 12 | Y | 67.6 | Low | 67.4 | Low | 195 Ų | 195 | 117.4 Ų | 117.4 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | trans | -66.5 | 98 | 168.5 | -66.6 | -87.5 | 0 | 0 | 0 | 107.5 | I10 V14 | I10-Y12 HydrophobicContact CB-CE2 4.36Å; I10-Y12 HydrophobicContact CG2-CD2 4.42Å; I10-Y12 HydrophobicContact CG2-CE1 4.37Å; I10-Y12 HydrophobicContact CG2-CE2 4.14Å; I10-Y12 WeakPolarHBondContact O-CD2 3.47Å; I10-Y12 PolarHBondContact O-N 3.36Å; Y12-V14 VanDerWaalsContact C-N 3.25Å; Y12-V14 PolarHBondContact O-N 3.29Å | ||
| 13 | L | 65.5 | Low | 69.6 | Low | 162 Ų | 162 | 109.4 Ų | 109.4 | 85% | 0.848 | 67% | 0.666 | S | S | * | * | trans | -64.4 | 95.6 | 163.3 | -71.9 | 169.8 | 0 | 0 | 0 | 106.4 | G11 V15 | G11-L13 VanDerWaalsContact C-N 3.34Å; G11-L13 PolarHBondContact O-N 3.28Å; L13-V15 PolarHBondContact O-N 2.92Å | ||
| 14 | V | 64.6 | Low | 71.6 | Confident | 130 Ų | 130 | 108.5 Ų | 108.5 | 79% | 0.788 | 64% | 0.642 | S | S | * | * | trans | -67.3 | 89.4 | 161.3 | -179.3 | 0 | 0 | 0 | 0 | 104.9 | Y12 P16 | Y12-V14 VanDerWaalsContact C-N 3.25Å; Y12-V14 PolarHBondContact O-N 3.29Å; V14-P16 WeakPolarHBondContact O-CD 3.35Å | ||
| 15 | V | 66.9 | Low | 73.1 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 71% | 0.709 | 62% | 0.617 | S | S | * | * | trans | -58.3 | 121.2 | 164.8 | -177.1 | 0 | 0 | 0 | 0 | 104.5 | L13 S17 | L13-V15 PolarHBondContact O-N 2.92Å; V15-S17 PolarHBondContact O-N 2.98Å | ||
| 16 | P | 55.3 | Low | 74.7 | Confident | 97 Ų | 97 | 102.5 Ų | 102.5 | 63% | 0.63 | 60% | 0.602 | S | S | * | * | trans | -52.3 | 115.2 | 171.8 | -21.3 | 31.5 | 0 | 0 | 0 | 106.4 | V14 D18 | V14-P16 WeakPolarHBondContact O-CD 3.35Å; P16-D18 PolarHBondContact O-N 3.01Å | ||
| 17 | S | 57.8 | Low | 76.2 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 76% | 0.762 | 57% | 0.566 | S | S | * | * | trans | -65.8 | 93.7 | 164.8 | 51.9 | 0 | 0 | 0 | 0 | 104.2 | V15 T19 | V15-S17 PolarHBondContact O-N 2.98Å; S17-T19 PolarHBondContact O-N 3.08Å | ||
| 18 | D | 56.4 | Low | 77.8 | Confident | 145 Ų | 145 | 90 Ų | 90 | 78% | 0.775 | 53% | 0.532 | S | S | * | . | trans | -42.8 | 115 | 170.5 | -80.2 | -31.7 | 0 | 0 | 0 | 106.2 | P16 A20 | P16-D18 PolarHBondContact O-N 3.01Å; D18-A20 PolarHBondContact O-N 2.92Å | ||
| 19 | T | 60 | Low | 79.2 | Confident | 122 Ų | 122 | 89.3 Ų | 89.3 | 75% | 0.748 | 52% | 0.516 | S | S | * | . | trans | -55.4 | 108.9 | 174 | 45.3 | 0 | 0 | 0 | 0 | 105.2 | S17 V21 | S17-T19 PolarHBondContact O-N 3.08Å; T19-V21 PolarHBondContact O-N 2.89Å | ||
| 20 | A | 79.7 | Confident | 80.7 | Confident | 32 Ų | 32 | 84.5 Ų | 84.5 | 26% | 0.264 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -56.1 | -16.9 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D18 L22 P59 M60 | D18-A20 PolarHBondContact O-N 2.92Å; A20-L22 PolarHBondContact O-N 2.96Å; A20-P59 WeakPolarHBondContact O-CD 3.34Å; A20-P59 VanDerWaalsContact O-CG 3.25Å; A20-P59 WeakPolarHBondContact O-CG 3.35Å; A20-M60 HydrophobicContact CB-CB 4.33Å; A20-M60 HydrophobicContact CB-CG 4.35Å; A20-M60 HydrophobicContact CB-SD 3.95Å |
| 21 | V | 95.9 | Very high | 82.1 | Confident | 79 Ų | 79 | 78.7 Ų | 78.7 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -62 | 119.8 | 177.9 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | T19 K56 F57 N58 | T19-V21 PolarHBondContact O-N 2.89Å; V21-K56 WeakPolarHBondContact CG1-O 3.23Å; V21-F57 HydrophobicContact CG1-CB 4.3Å; V21-N58 HydrophobicContact CG2-CB 4.16Å |
| 22 | L | 96.8 | Very high | 83.4 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 16% | 0.157 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 144.8 | 175.8 | -61.6 | 176.8 | 0 | 0 | 0 | 110.7 | A20 V26 V27 K30 F57 P59 P101 L103 | A20-L22 PolarHBondContact O-N 2.96Å; L22-V26 HydrophobicContact CD2-CG1 4.28Å; L22-V27 HydrophobicContact CB-CG2 3.53Å; L22-V27 HydrophobicContact CD1-CG2 4.12Å; L22-V27 HydrophobicContact CG-CG2 4.47Å; L22-K30 HydrophobicContact CD1-CD 4.32Å; L22-F57 PolarHBondContact N-O 2.63Å; L22-F57 WeakPolarHBondContact O-CB 3.43Å; L22-P59 HydrophobicContact CD1-CB 4.17Å; L22-P59 HydrophobicContact CD1-CG 4.03Å; L22-P59 HydrophobicContact CG-CG 3.97Å; L22-P101 HydrophobicContact CD2-CB 4.47Å; L22-L103 HydrophobicContact CD1-CD1 4.08Å; L22-L103 HydrophobicContact CD1-CG 4.39Å |
| 23 | G | 97.4 | Very high | 84.8 | Confident | 42 Ų | 42 | 76 Ų | 76 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 148.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C25 V26 V27 | G23-C25 VanDerWaalsContact C-N 3.32Å; G23-C25 PolarHBondContact O-N 3Å; G23-V26 WeakPolarHBondContact O-CA 3.42Å; G23-V26 WeakPolarHBondContact O-CB 3.23Å; G23-V26 PolarHBondContact O-N 3.06Å; G23-V27 PolarHBondContact O-N 3.44Å |
| 24 | R | 98.1 | Very high | 86.4 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -46.9 | -49.9 | -179.6 | 178.8 | 178.2 | 58.2 | 83.7 | 0.2 | 113.3 | V26 V27 A28 V48 F57 W139 D141 C143 | R24-V26 VanDerWaalsContact C-N 3.34Å; R24-V26 PolarHBondContact O-N 3.42Å; R24-V27 PolarHBondContact O-N 3.46Å; R24-A28 WeakPolarHBondContact O-CB 3.49Å; R24-A28 PolarHBondContact O-N 3.47Å; R24-V48 HydrophobicContact CG-CG1 3.96Å; R24-F57 HydrophobicContact CB-CD2 4.46Å; R24-F57 HydrophobicContact CB-CE2 3.73Å; R24-F57 HydrophobicContact CB-CZ 4.11Å; R24-F57 HydrophobicContact CG-CE2 4.09Å; R24-F57 HydrophobicContact CG-CZ 3.99Å; R24-W139 WeakPolarHBondContact CD-O 3.3Å; R24-W139 HydrophobicContact CG-CE3 4.44Å; R24-W139 VanDerWaalsContact NH1-C 3.28Å; R24-W139 PolarHBondContact NH1-O 2.9Å; R24-D141 PolarHBondContact NH1-O 3.12Å; R24-D141 PolarHBondContact NH2-O 3.01Å; R24-C143 PolarHBondContact NH1-SG 3.24Å |
| 25 | C | 98.5 | Very high | 88 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 27% | 0.27 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.5 | -26.5 | -179.4 | -63.9 | 0 | 0 | 0 | 0 | 113.5 | G23 K29 C143 | G23-C25 VanDerWaalsContact C-N 3.32Å; G23-C25 PolarHBondContact O-N 3Å; C25-K29 VanDerWaalsContact O-CB 3.3Å; C25-K29 WeakPolarHBondContact O-CB 3.46Å; C25-K29 PolarHBondContact O-N 3.11Å; C25-C143 WeakPolarHBondContact CA-SG 3.33Å; C25-C143 HydrophobicContact CB-CB 3.71Å; C25-C143 WeakPolarHBondContact CB-SG 3.33Å; C25-C143 WeakPolarHBondContact SG-CA 3.45Å; C25-C143 WeakPolarHBondContact SG-CB 3.25Å; C25-C143 CovalentContact SG-SG 2.05Å; C25-C143 PolarHBondContact SG-SG 3.3Å |
| 26 | V | 98.1 | Very high | 89.5 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | L22 G23 R24 K30 | L22-V26 HydrophobicContact CD2-CG1 4.28Å; G23-V26 WeakPolarHBondContact O-CA 3.42Å; G23-V26 WeakPolarHBondContact O-CB 3.23Å; G23-V26 PolarHBondContact O-N 3.06Å; R24-V26 VanDerWaalsContact C-N 3.34Å; R24-V26 PolarHBondContact O-N 3.42Å; V26-K30 HydrophobicContact CG1-CD 4.34Å; V26-K30 WeakPolarHBondContact O-CB 3.44Å; V26-K30 WeakPolarHBondContact O-CG 3.27Å; V26-K30 PolarHBondContact O-N 2.86Å |
| 27 | V | 98.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -52.4 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | L22 G23 R24 K29 K30 L31 A51 F57 L75 | L22-V27 HydrophobicContact CB-CG2 3.53Å; L22-V27 HydrophobicContact CD1-CG2 4.12Å; L22-V27 HydrophobicContact CG-CG2 4.47Å; G23-V27 PolarHBondContact O-N 3.44Å; R24-V27 PolarHBondContact O-N 3.46Å; V27-K29 VanDerWaalsContact C-N 3.31Å; V27-K29 PolarHBondContact O-N 3.41Å; V27-K30 PolarHBondContact O-N 3.1Å; V27-L31 HydrophobicContact CG1-CD1 3.5Å; V27-L31 HydrophobicContact CG1-CG 4.03Å; V27-L31 WeakPolarHBondContact O-CB 3.47Å; V27-L31 WeakPolarHBondContact O-CG 3.3Å; V27-L31 PolarHBondContact O-N 3.47Å; V27-A51 HydrophobicContact CG1-CB 4.12Å; V27-F57 HydrophobicContact CB-CD1 4.1Å; V27-F57 HydrophobicContact CB-CE1 4.38Å; V27-F57 HydrophobicContact CG1-CD1 3.97Å; V27-F57 HydrophobicContact CG1-CE1 4.13Å; V27-F57 HydrophobicContact CG2-CB 3.9Å; V27-F57 HydrophobicContact CG2-CD1 3.76Å; V27-F57 HydrophobicContact CG2-CG 3.99Å; V27-L75 HydrophobicContact CG1-CD2 4.06Å; V27-L75 HydrophobicContact CG2-CD1 4.39Å |
| 28 | A | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.6 | -47.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R24 L31 H32 V48 L140 L145 | R24-A28 WeakPolarHBondContact O-CB 3.49Å; R24-A28 PolarHBondContact O-N 3.47Å; A28-L31 PolarHBondContact O-N 3.16Å; A28-H32 WeakPolarHBondContact O-CB 3.35Å; A28-H32 PolarHBondContact O-N 3.12Å; A28-V48 HydrophobicContact CB-CG2 3.75Å; A28-L140 HydrophobicContact CB-CD2 3.46Å; A28-L140 VanDerWaalsContact CB-CD2 3.46Å; A28-L145 HydrophobicContact CB-CD2 3.85Å |
| 29 | K | 98.7 | Very high | 95.5 | Very high | 86 Ų | 86 | 52 Ų | 52 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 177.6 | -179.7 | 168.3 | 179.3 | 171.5 | 0 | 112.4 | C25 V27 L31 H32 E33 L145 | C25-K29 VanDerWaalsContact O-CB 3.3Å; C25-K29 WeakPolarHBondContact O-CB 3.46Å; C25-K29 PolarHBondContact O-N 3.11Å; V27-K29 VanDerWaalsContact C-N 3.31Å; V27-K29 PolarHBondContact O-N 3.41Å; K29-L31 VanDerWaalsContact C-N 3.32Å; K29-L31 PolarHBondContact O-N 3.16Å; K29-H32 WeakPolarHBondContact O-CB 3.34Å; K29-H32 PolarHBondContact O-N 3.14Å; K29-E33 WeakPolarHBondContact CE-OE1 3.37Å; K29-E33 HydrophobicContact CG-CG 4.3Å; K29-E33 IonicContact NZ-OE1 3.77Å; K29-E33 WeakPolarHBondContact O-CB 3.4Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 3.05Å; K29-L145 HydrophobicContact CB-CD2 4.48Å |
| 30 | K | 98.6 | Very high | 97.3 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 178.5 | -75.5 | -179.1 | 167.6 | -67.5 | 0 | 112.7 | L22 V26 V27 G34 P101 L103 I107 | L22-K30 HydrophobicContact CD1-CD 4.32Å; V26-K30 HydrophobicContact CG1-CD 4.34Å; V26-K30 WeakPolarHBondContact O-CB 3.44Å; V26-K30 WeakPolarHBondContact O-CG 3.27Å; V26-K30 PolarHBondContact O-N 2.86Å; V27-K30 PolarHBondContact O-N 3.1Å; K30-G34 PolarHBondContact O-N 3.06Å; K30-P101 VanDerWaalsContact CE-O 3.25Å; K30-P101 WeakPolarHBondContact CE-O 3.46Å; K30-L103 HydrophobicContact CB-CD1 3.92Å; K30-L103 HydrophobicContact CD-CD1 3.89Å; K30-L103 HydrophobicContact CD-CG 4.29Å; K30-I107 WeakPolarHBondContact O-CD1 3.42Å |
| 31 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 176.8 | -62.1 | 175.9 | 0 | 0 | 0 | 111.4 | V27 A28 K29 G34 G35 L36 L44 W47 V48 L75 F76 L103 I107 | V27-L31 HydrophobicContact CG1-CD1 3.5Å; V27-L31 HydrophobicContact CG1-CG 4.03Å; V27-L31 WeakPolarHBondContact O-CB 3.47Å; V27-L31 WeakPolarHBondContact O-CG 3.3Å; V27-L31 PolarHBondContact O-N 3.47Å; A28-L31 PolarHBondContact O-N 3.16Å; K29-L31 VanDerWaalsContact C-N 3.32Å; K29-L31 PolarHBondContact O-N 3.16Å; L31-G34 PolarHBondContact O-N 3.18Å; L31-G35 PolarHBondContact O-N 3.02Å; L31-L36 HydrophobicContact CB-CD1 4.16Å; L31-L36 HydrophobicContact CD2-CD1 3.65Å; L31-L36 HydrophobicContact CG-CD1 4.41Å; L31-L36 WeakPolarHBondContact O-CB 3Å; L31-L36 PolarHBondContact O-N 3.19Å; L31-L44 HydrophobicContact CB-CD1 3.69Å; L31-W47 HydrophobicContact CD1-CB 3.95Å; L31-V48 HydrophobicContact CD1-CG2 4.19Å; L31-L75 HydrophobicContact CD2-CD2 4.15Å; L31-F76 HydrophobicContact CD1-CZ 4.19Å; L31-F76 HydrophobicContact CD2-CE2 4.08Å; L31-F76 HydrophobicContact CD2-CZ 3.72Å; L31-L103 HydrophobicContact CD2-CD1 4.49Å; L31-I107 HydrophobicContact CD2-CD1 4.05Å; L31-I107 HydrophobicContact CD2-CG1 3.92Å |
| 32 | H | 98.7 | Very high | 98.2 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -54.3 | 172.6 | 178.2 | 63 | 0 | 0 | 0 | 111.7 | A28 K29 G34 G35 S37 L44 L145 | A28-H32 WeakPolarHBondContact O-CB 3.35Å; A28-H32 PolarHBondContact O-N 3.12Å; K29-H32 WeakPolarHBondContact O-CB 3.34Å; K29-H32 PolarHBondContact O-N 3.14Å; H32-G34 PolarHBondContact O-N 3.09Å; H32-G35 WeakPolarHBondContact O-CA 3.41Å; H32-G35 PolarHBondContact O-N 3.13Å; H32-S37 PolarHBondContact ND1-OG 3.26Å; H32-L44 HydrophobicContact CB-CD1 4.3Å; H32-L44 HydrophobicContact CB-CD2 3.83Å; H32-L145 HydrophobicContact CB-CD2 4.41Å |
| 33 | E | 98.5 | Very high | 98.3 | Very high | 127 Ų | 127 | 51.5 Ų | 51.5 | 59% | 0.593 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.9 | -32.2 | 177.8 | -70.3 | 174.6 | 157.2 | 0 | 0 | 111.9 | K29 G35 | K29-E33 WeakPolarHBondContact CE-OE1 3.37Å; K29-E33 HydrophobicContact CG-CG 4.3Å; K29-E33 IonicContact NZ-OE1 3.77Å; K29-E33 WeakPolarHBondContact O-CB 3.4Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 3.05Å; E33-G35 PolarHBondContact O-N 3.16Å |
| 34 | G | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -0.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K30 L31 H32 K111 | K30-G34 PolarHBondContact O-N 3.06Å; L31-G34 PolarHBondContact O-N 3.18Å; H32-G34 PolarHBondContact O-N 3.09Å; G34-K111 VanDerWaalsContact O-CE 3.25Å; G34-K111 WeakPolarHBondContact O-CE 3.38Å; G34-K111 PolarHBondContact O-NZ 3.15Å |
| 35 | G | 98.4 | Very high | 98.4 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L31 H32 E33 K111 | L31-G35 PolarHBondContact O-N 3.02Å; H32-G35 WeakPolarHBondContact O-CA 3.41Å; H32-G35 PolarHBondContact O-N 3.13Å; E33-G35 PolarHBondContact O-N 3.16Å; G35-K111 VanDerWaalsContact O-CE 3.26Å; G35-K111 WeakPolarHBondContact O-CE 3.02Å; G35-K111 PolarHBondContact O-NZ 3.12Å; G35-K111 VanDerWaalsContact O-NZ 3.16Å |
| 36 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -97.6 | -9.9 | 171.7 | -67.5 | 178.3 | 0 | 0 | 0 | 113.7 | L31 D38 F39 W47 I107 K111 | L31-L36 HydrophobicContact CB-CD1 4.16Å; L31-L36 HydrophobicContact CD2-CD1 3.65Å; L31-L36 HydrophobicContact CG-CD1 4.41Å; L31-L36 WeakPolarHBondContact O-CB 3Å; L31-L36 PolarHBondContact O-N 3.19Å; L36-D38 PolarHBondContact O-N 3.38Å; L36-D38 VanDerWaalsContact O-N 3.15Å; L36-F39 HydrophobicContact CD2-CB 4.28Å; L36-F39 HydrophobicContact CD2-CD1 4.29Å; L36-F39 HydrophobicContact CD2-CG 4.29Å; L36-F39 PolarHBondContact O-N 3.3Å; L36-W47 HydrophobicContact CB-CD2 4.27Å; L36-W47 HydrophobicContact CB-CG 4.11Å; L36-W47 HydrophobicContact CD1-CD2 3.95Å; L36-W47 HydrophobicContact CD1-CE3 4.07Å; L36-W47 HydrophobicContact CD1-CG 4.28Å; L36-W47 HydrophobicContact CD1-CZ3 4.43Å; L36-W47 HydrophobicContact CD2-CD2 4.41Å; L36-W47 HydrophobicContact CD2-CH2 4.05Å; L36-W47 HydrophobicContact CD2-CZ2 3.69Å; L36-W47 HydrophobicContact CG-CD2 4.46Å; L36-W47 VanDerWaalsContact O-CD1 3.32Å; L36-W47 PolarHBondContact O-NE1 3.3Å; L36-W47 VanDerWaalsContact O-NE1 3.14Å; L36-I107 HydrophobicContact CD1-CB 4.47Å; L36-I107 HydrophobicContact CD1-CG1 4.02Å; L36-I107 HydrophobicContact CD1-CG2 3.98Å; L36-I107 HydrophobicContact CD2-CG2 4.16Å; L36-I107 HydrophobicContact CG-CG2 3.9Å; L36-K111 HydrophobicContact CD2-CD 4.31Å; L36-K111 HydrophobicContact CD2-CG 3.65Å | ||
| 37 | S | 98 | Very high | 98.4 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 116.3 | 168.7 | -64.8 | 0 | 0 | 0 | 0 | 109.8 | H32 F39 | H32-S37 PolarHBondContact ND1-OG 3.26Å; S37-F39 PolarHBondContact O-N 2.88Å |
| 38 | D | 97.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 43.9 Ų | 43.9 | 65% | 0.647 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 15.5 | 179.9 | -53.4 | -37.8 | 0 | 0 | 0 | 115.2 | L36 E40 G41 Y42 | L36-D38 PolarHBondContact O-N 3.38Å; L36-D38 VanDerWaalsContact O-N 3.15Å; D38-E40 PolarHBondContact O-N 3.03Å; D38-G41 PolarHBondContact O-N 3.41Å; D38-G41 VanDerWaalsContact O-N 3.12Å; D38-Y42 WeakPolarHBondContact CA-O 3.48Å; D38-Y42 PolarHBondContact N-O 3.03Å |
| 39 | F | 98.4 | Very high | 98.4 | Very high | 37 Ų | 37 | 44 Ų | 44 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 122.5 | 177.5 | -175.2 | -94.4 | 0 | 0 | 0 | 110.5 | L36 S37 G41 Y42 W47 K111 K115 | L36-F39 HydrophobicContact CD2-CB 4.28Å; L36-F39 HydrophobicContact CD2-CD1 4.29Å; L36-F39 HydrophobicContact CD2-CG 4.29Å; L36-F39 PolarHBondContact O-N 3.3Å; S37-F39 PolarHBondContact O-N 2.88Å; F39-G41 PolarHBondContact O-N 3.26Å; F39-Y42 PolarHBondContact O-N 3.19Å; F39-Y42 VanDerWaalsContact O-N 3.16Å; F39-W47 HydrophobicContact CD1-CZ2 4.32Å; F39-K111 HydrophobicContact CD1-CG 4.01Å; F39-K111 HydrophobicContact CD2-CD 4.16Å; F39-K111 HydrophobicContact CD2-CG 4.29Å; F39-K111 HydrophobicContact CE1-CB 3.67Å; F39-K111 HydrophobicContact CE1-CD 4.37Å; F39-K111 HydrophobicContact CE1-CG 3.6Å; F39-K111 HydrophobicContact CE2-CB 4.32Å; F39-K111 HydrophobicContact CE2-CD 3.75Å; F39-K111 HydrophobicContact CE2-CG 3.92Å; F39-K111 HydrophobicContact CG-CG 4.33Å; F39-K111 HydrophobicContact CZ-CB 3.54Å; F39-K111 HydrophobicContact CZ-CD 3.86Å; F39-K111 HydrophobicContact CZ-CG 3.54Å; F39-K115 HydrophobicContact CZ-CG 4.38Å |
| 40 | E | 97.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 28.5 | -173.9 | -58.3 | -70.7 | 150.9 | 0 | 0 | 113 | D38 Y42 V114 K115 | D38-E40 PolarHBondContact O-N 3.03Å; E40-Y42 HydrophobicContact CB-CD2 4.13Å; E40-Y42 HydrophobicContact CB-CE2 4.25Å; E40-Y42 WeakPolarHBondContact O-CD2 3.4Å; E40-V114 HydrophobicContact CB-CG1 3.75Å; E40-V114 HydrophobicContact CG-CG1 4.02Å; E40-K115 HydrophobicContact CG-CG 4.28Å; E40-K115 WeakPolarHBondContact OE1-CG 3.41Å |
| 41 | G | 97.5 | Very high | 98.5 | Very high | 70 Ų | 70 | 37.3 Ų | 37.3 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82 | 6.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | D38 F39 | D38-G41 PolarHBondContact O-N 3.41Å; D38-G41 VanDerWaalsContact O-N 3.12Å; F39-G41 PolarHBondContact O-N 3.26Å |
| 42 | Y | 98.4 | Very high | 98.4 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 19% | 0.192 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -94.7 | 124 | 176.3 | -61.9 | -80.4 | 0 | 0 | 0 | 111.3 | D38 F39 E40 V114 G119 M120 W126 | D38-Y42 WeakPolarHBondContact CA-O 3.48Å; D38-Y42 PolarHBondContact N-O 3.03Å; F39-Y42 PolarHBondContact O-N 3.19Å; F39-Y42 VanDerWaalsContact O-N 3.16Å; E40-Y42 HydrophobicContact CB-CD2 4.13Å; E40-Y42 HydrophobicContact CB-CE2 4.25Å; E40-Y42 WeakPolarHBondContact O-CD2 3.4Å; Y42-V114 HydrophobicContact CD2-CG1 3.62Å; Y42-V114 HydrophobicContact CE2-CG1 3.41Å; Y42-V114 VanDerWaalsContact CE2-CG1 3.41Å; Y42-G119 WeakPolarHBondContact OH-CA 3.31Å; Y42-M120 HydrophobicContact CD1-CB 4.12Å; Y42-M120 HydrophobicContact CD1-CG 3.65Å; Y42-M120 HydrophobicContact CD1-SD 3.34Å; Y42-M120 WeakPolarHBondContact CD1-SD 3.32Å; Y42-M120 HydrophobicContact CD2-CG 3.87Å; Y42-M120 HydrophobicContact CD2-SD 4.14Å; Y42-M120 HydrophobicContact CE1-CB 3.73Å; Y42-M120 HydrophobicContact CE1-CG 3.7Å; Y42-M120 HydrophobicContact CE1-SD 3.98Å; Y42-M120 HydrophobicContact CE2-CG 3.95Å; Y42-M120 HydrophobicContact CG-CG 3.72Å; Y42-M120 HydrophobicContact CG-SD 3.42Å; Y42-M120 PolarHBondContact OH-N 3.4Å; Y42-W126 HydrophobicContact CD1-CH2 4.43Å; Y42-W126 AromaticContact CD1-CZ2 3.89Å; Y42-W126 HydrophobicContact CD1-CZ2 3.89Å; Y42-W126 AromaticContact CE1-CH2 3.65Å; Y42-W126 HydrophobicContact CE1-CH2 3.65Å; Y42-W126 AromaticContact CE1-CZ2 3.56Å; Y42-W126 HydrophobicContact CE1-CZ2 3.56Å |
| 43 | S | 98.3 | Very high | 98.4 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | trans | -65.3 | 159.2 | 176.9 | 82.7 | 0 | 0 | 0 | 0 | 111.9 | E45 N46 | S43-E45 WeakPolarHBondContact CB-OE2 3.48Å; S43-E45 PolarHBondContact O-N 3.46Å; S43-E45 PolarHBondContact OG-OE2 3.22Å; S43-N46 WeakPolarHBondContact O-CB 3.36Å; S43-N46 PolarHBondContact O-N 2.99Å; S43-N46 VanDerWaalsContact O-N 3.08Å; S43-N46 PolarHBondContact OG-ND2 2.8Å | ||
| 44 | L | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -35.1 | 179.4 | -178.7 | 63.8 | 0 | 0 | 0 | 112.5 | L31 H32 N46 W47 V48 L140 L145 | L31-L44 HydrophobicContact CB-CD1 3.69Å; H32-L44 HydrophobicContact CB-CD1 4.3Å; H32-L44 HydrophobicContact CB-CD2 3.83Å; L44-N46 VanDerWaalsContact C-N 3.27Å; L44-N46 PolarHBondContact O-N 2.84Å; L44-W47 WeakPolarHBondContact O-CB 3.34Å; L44-W47 PolarHBondContact O-N 2.99Å; L44-W47 VanDerWaalsContact O-N 3.11Å; L44-V48 HydrophobicContact CG-CG2 4.4Å; L44-V48 WeakPolarHBondContact O-CG2 3.38Å; L44-V48 PolarHBondContact O-N 2.03Å; L44-L140 HydrophobicContact CB-CD1 4.2Å; L44-L140 HydrophobicContact CD2-CD1 3.94Å; L44-L140 HydrophobicContact CD2-CD2 3.86Å; L44-L140 HydrophobicContact CG-CD1 4.28Å; L44-L140 HydrophobicContact CG-CD2 4.19Å; L44-L145 HydrophobicContact CD2-CD1 3.46Å; L44-L145 VanDerWaalsContact CD2-CD1 3.46Å; L44-L145 HydrophobicContact CD2-CD2 3.97Å; L44-L145 HydrophobicContact CD2-CG 4.37Å |
| 45 | E | 98.7 | Very high | 98.4 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -34.3 | 177.6 | -56.5 | 75.3 | -180 | 0 | 0 | 112.4 | S43 W47 V48 C49 L136 W139 L140 | S43-E45 WeakPolarHBondContact CB-OE2 3.48Å; S43-E45 PolarHBondContact O-N 3.46Å; S43-E45 PolarHBondContact OG-OE2 3.22Å; E45-W47 VanDerWaalsContact C-N 3.29Å; E45-W47 PolarHBondContact O-N 3.03Å; E45-V48 PolarHBondContact O-N 3.31Å; E45-C49 VanDerWaalsContact O-CB 3.23Å; E45-C49 WeakPolarHBondContact O-CB 3.16Å; E45-C49 PolarHBondContact O-N 3.41Å; E45-L136 HydrophobicContact CB-CB 4.4Å; E45-L136 HydrophobicContact CB-CD1 4.45Å; E45-L136 HydrophobicContact CB-CD2 3.84Å; E45-L136 HydrophobicContact CB-CG 3.54Å; E45-L136 WeakPolarHBondContact CB-O 3.26Å; E45-L136 HydrophobicContact CG-CG 4.5Å; E45-L136 WeakPolarHBondContact CG-O 2.82Å; E45-W139 HydrophobicContact CB-CB 4.18Å; E45-L140 HydrophobicContact CG-CD1 3.81Å; E45-L140 HydrophobicContact CG-CG 3.88Å; E45-L140 WeakPolarHBondContact OE1-CD1 3.44Å |
| 46 | N | 98.7 | Very high | 98.3 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 174.3 | -81.8 | -79.3 | 0 | 0 | 0 | 110.7 | S43 L44 C49 L50 M120 W126 L136 | S43-N46 WeakPolarHBondContact O-CB 3.36Å; S43-N46 PolarHBondContact O-N 2.99Å; S43-N46 VanDerWaalsContact O-N 3.08Å; S43-N46 PolarHBondContact OG-ND2 2.8Å; L44-N46 VanDerWaalsContact C-N 3.27Å; L44-N46 PolarHBondContact O-N 2.84Å; N46-C49 PolarHBondContact O-N 2.96Å; N46-L50 WeakPolarHBondContact O-CB 3.22Å; N46-L50 PolarHBondContact O-N 2.5Å; N46-M120 HydrophobicContact CB-CE 4.19Å; N46-M120 HydrophobicContact CB-SD 3.79Å; N46-W126 PolarHBondContact OD1-NE1 3.04Å; N46-L136 HydrophobicContact CB-CD2 4.46Å; N46-L136 VanDerWaalsContact ND2-CD2 3.3Å; N46-L136 WeakPolarHBondContact ND2-CD2 2.86Å |
| 47 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -42.2 | 178.8 | -67.3 | 104.3 | 0 | 0 | 0 | 112.5 | L31 L36 F39 L44 E45 L50 A51 F76 A110 V114 M120 | L31-W47 HydrophobicContact CD1-CB 3.95Å; L36-W47 HydrophobicContact CB-CD2 4.27Å; L36-W47 HydrophobicContact CB-CG 4.11Å; L36-W47 HydrophobicContact CD1-CD2 3.95Å; L36-W47 HydrophobicContact CD1-CE3 4.07Å; L36-W47 HydrophobicContact CD1-CG 4.28Å; L36-W47 HydrophobicContact CD1-CZ3 4.43Å; L36-W47 HydrophobicContact CD2-CD2 4.41Å; L36-W47 HydrophobicContact CD2-CH2 4.05Å; L36-W47 HydrophobicContact CD2-CZ2 3.69Å; L36-W47 HydrophobicContact CG-CD2 4.46Å; L36-W47 VanDerWaalsContact O-CD1 3.32Å; L36-W47 PolarHBondContact O-NE1 3.3Å; L36-W47 VanDerWaalsContact O-NE1 3.14Å; F39-W47 HydrophobicContact CD1-CZ2 4.32Å; L44-W47 WeakPolarHBondContact O-CB 3.34Å; L44-W47 PolarHBondContact O-N 2.99Å; L44-W47 VanDerWaalsContact O-N 3.11Å; E45-W47 VanDerWaalsContact C-N 3.29Å; E45-W47 PolarHBondContact O-N 3.03Å; W47-L50 HydrophobicContact CE3-CD2 4.3Å; W47-L50 HydrophobicContact CZ3-CD2 4.4Å; W47-L50 PolarHBondContact O-N 3.09Å; W47-A51 WeakPolarHBondContact O-CB 3.03Å; W47-A51 PolarHBondContact O-N 3.47Å; W47-F76 HydrophobicContact CE3-CE1 4.15Å; W47-F76 HydrophobicContact CE3-CE2 4.14Å; W47-F76 AromaticContact CE3-CZ 3.68Å; W47-F76 HydrophobicContact CE3-CZ 3.68Å; W47-F76 HydrophobicContact CZ3-CE2 4.24Å; W47-F76 HydrophobicContact CZ3-CZ 4.22Å; W47-A110 HydrophobicContact CH2-CB 4.06Å; W47-A110 HydrophobicContact CZ3-CB 3.82Å; W47-V114 HydrophobicContact CH2-CB 4.21Å; W47-V114 HydrophobicContact CH2-CG2 3.34Å; W47-V114 HydrophobicContact CZ2-CB 4.42Å; W47-V114 HydrophobicContact CZ2-CG2 3.85Å; W47-V114 HydrophobicContact CZ3-CG2 4.22Å; W47-M120 HydrophobicContact CD2-CE 3.85Å; W47-M120 HydrophobicContact CD2-SD 4.31Å; W47-M120 HydrophobicContact CE3-CE 3.75Å; W47-M120 HydrophobicContact CG-CE 4.32Å; W47-M120 HydrophobicContact CZ2-SD 4.5Å; W47-M120 HydrophobicContact CZ3-CE 4.18Å |
| 48 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | R24 A28 L31 L44 E45 A51 Y52 F57 W139 L140 | R24-V48 HydrophobicContact CG-CG1 3.96Å; A28-V48 HydrophobicContact CB-CG2 3.75Å; L31-V48 HydrophobicContact CD1-CG2 4.19Å; L44-V48 HydrophobicContact CG-CG2 4.4Å; L44-V48 WeakPolarHBondContact O-CG2 3.38Å; L44-V48 PolarHBondContact O-N 2.03Å; E45-V48 PolarHBondContact O-N 3.31Å; V48-A51 PolarHBondContact O-N 3.19Å; V48-Y52 PolarHBondContact O-N 3.15Å; V48-Y52 VanDerWaalsContact O-N 3.13Å; V48-F57 HydrophobicContact CG1-CE1 3.91Å; V48-F57 HydrophobicContact CG1-CZ 3.82Å; V48-F57 VanDerWaalsContact O-CE1 3.3Å; V48-F57 WeakPolarHBondContact O-CE1 3.19Å; V48-W139 HydrophobicContact CB-CB 4.09Å; V48-W139 HydrophobicContact CG1-CB 3.94Å; V48-W139 HydrophobicContact CG1-CD2 4.27Å; V48-W139 HydrophobicContact CG1-CE3 3.83Å; V48-W139 HydrophobicContact CG1-CG 4.34Å; V48-L140 HydrophobicContact CG2-CD2 4.22Å |
| 49 | C | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | E45 N46 A51 Y52 F53 C130 L136 W139 | E45-C49 VanDerWaalsContact O-CB 3.23Å; E45-C49 WeakPolarHBondContact O-CB 3.16Å; E45-C49 PolarHBondContact O-N 3.41Å; N46-C49 PolarHBondContact O-N 2.96Å; C49-A51 PolarHBondContact O-N 3.25Å; C49-Y52 PolarHBondContact O-N 3.17Å; C49-F53 VanDerWaalsContact O-CD2 3.32Å; C49-F53 WeakPolarHBondContact O-CD2 3.44Å; C49-F53 PolarHBondContact O-N 3.06Å; C49-F53 VanDerWaalsContact O-N 3.11Å; C49-C130 VanDerWaalsContact C-SG 3.51Å; C49-C130 HydrophobicContact CB-CB 3.78Å; C49-C130 WeakPolarHBondContact CB-SG 3.5Å; C49-C130 VanDerWaalsContact SG-CA 3.51Å; C49-C130 WeakPolarHBondContact SG-CB 3.41Å; C49-C130 CovalentContact SG-SG 2.03Å; C49-C130 PolarHBondContact SG-SG 3.01Å; C49-L136 HydrophobicContact CB-CD1 3.95Å; C49-W139 HydrophobicContact CB-CD2 4.31Å; C49-W139 HydrophobicContact CB-CG 4.28Å; C49-W139 HydrophobicContact CB-CZ2 4.31Å; C49-W139 VanDerWaalsContact CB-NE1 3.3Å; C49-W139 PolarHBondContact SG-NE1 3.17Å |
| 50 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.3 | -49.6 | 177.3 | 172.6 | 65.4 | 0 | 0 | 0 | 111.3 | N46 W47 Y52 F53 E54 F76 M120 W123 W126 | N46-L50 WeakPolarHBondContact O-CB 3.22Å; N46-L50 PolarHBondContact O-N 2.5Å; W47-L50 HydrophobicContact CE3-CD2 4.3Å; W47-L50 HydrophobicContact CZ3-CD2 4.4Å; W47-L50 PolarHBondContact O-N 3.09Å; L50-Y52 PolarHBondContact O-N 3.29Å; L50-F53 PolarHBondContact O-N 3.2Å; L50-F53 VanDerWaalsContact O-N 3.13Å; L50-E54 HydrophobicContact CD1-CG 3.5Å; L50-E54 VanDerWaalsContact CD1-CG 3.5Å; L50-E54 HydrophobicContact CG-CG 4.14Å; L50-E54 WeakPolarHBondContact O-CB 3.43Å; L50-E54 WeakPolarHBondContact O-CG 3.34Å; L50-E54 PolarHBondContact O-N 3.44Å; L50-F76 HydrophobicContact CB-CE1 4.46Å; L50-F76 HydrophobicContact CD2-CD1 3.75Å; L50-F76 HydrophobicContact CD2-CE1 4.03Å; L50-F76 HydrophobicContact CD2-CG 4.38Å; L50-F76 HydrophobicContact CG-CD1 3.81Å; L50-F76 HydrophobicContact CG-CE1 4.14Å; L50-M120 HydrophobicContact CB-CE 3.88Å; L50-M120 HydrophobicContact CD2-CE 3.54Å; L50-M120 HydrophobicContact CG-CE 4.32Å; L50-W123 HydrophobicContact CD1-CB 3.52Å; L50-W123 HydrophobicContact CD1-CD2 4.16Å; L50-W123 HydrophobicContact CD1-CG 3.57Å; L50-W123 HydrophobicContact CD2-CD2 3.77Å; L50-W123 HydrophobicContact CD2-CE3 3.93Å; L50-W123 HydrophobicContact CD2-CG 4.09Å; L50-W123 HydrophobicContact CD2-CZ2 4.46Å; L50-W123 HydrophobicContact CD2-CZ3 4.35Å; L50-W123 HydrophobicContact CG-CG 4.46Å; L50-W126 HydrophobicContact CB-CB 4.49Å; L50-W126 HydrophobicContact CD1-CB 3.85Å |
| 51 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.4 | -36.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V27 W47 V48 C49 S55 K56 F57 L75 F76 | V27-A51 HydrophobicContact CG1-CB 4.12Å; W47-A51 WeakPolarHBondContact O-CB 3.03Å; W47-A51 PolarHBondContact O-N 3.47Å; V48-A51 PolarHBondContact O-N 3.19Å; C49-A51 PolarHBondContact O-N 3.25Å; A51-S55 PolarHBondContact O-N 3.09Å; A51-K56 PolarHBondContact O-N 2.95Å; A51-F57 HydrophobicContact CB-CD1 3.78Å; A51-F57 HydrophobicContact CB-CE1 3.84Å; A51-F57 PolarHBondContact O-N 3.05Å; A51-L75 HydrophobicContact CB-CD1 3.95Å; A51-L75 HydrophobicContact CB-CD2 3.93Å; A51-L75 HydrophobicContact CB-CG 3.72Å; A51-F76 HydrophobicContact CB-CD1 4.18Å; A51-F76 HydrophobicContact CB-CE1 3.69Å |
| 52 | Y | 98.6 | Very high | 98.2 | Very high | 87 Ų | 87 | 31.4 Ų | 31.4 | 34% | 0.341 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.4 | -43.1 | 176.4 | 179.6 | -99.7 | 0 | 0 | 0 | 112.5 | V48 C49 L50 K56 F57 W139 | V48-Y52 PolarHBondContact O-N 3.15Å; V48-Y52 VanDerWaalsContact O-N 3.13Å; C49-Y52 PolarHBondContact O-N 3.17Å; L50-Y52 PolarHBondContact O-N 3.29Å; Y52-K56 HydrophobicContact CD2-CD 4.17Å; Y52-K56 HydrophobicContact CE1-CD 4.19Å; Y52-K56 HydrophobicContact CE2-CD 3.75Å; Y52-K56 WeakPolarHBondContact O-CA 3.42Å; Y52-K56 WeakPolarHBondContact O-CD 3.35Å; Y52-K56 PolarHBondContact O-N 3.08Å; Y52-K56 PolarHBondContact O-NZ 3.07Å; Y52-F57 HydrophobicContact CD2-CD2 4.12Å; Y52-F57 AromaticContact CD2-CE2 3.7Å; Y52-F57 HydrophobicContact CD2-CE2 3.7Å; Y52-F57 HydrophobicContact CD2-CZ 4.07Å; Y52-F57 HydrophobicContact CG-CE2 4.39Å; Y52-F57 HydrophobicContact CG-CZ 4.31Å; Y52-W139 AromaticContact CD1-CH2 3.46Å; Y52-W139 HydrophobicContact CD1-CH2 3.46Å; Y52-W139 VanDerWaalsContact CD1-CH2 3.46Å; Y52-W139 HydrophobicContact CD1-CZ2 4.23Å; Y52-W139 HydrophobicContact CD1-CZ3 4.31Å; Y52-W139 HydrophobicContact CD2-CH2 4.11Å; Y52-W139 HydrophobicContact CD2-CZ3 4.18Å; Y52-W139 HydrophobicContact CE1-CH2 4.15Å; Y52-W139 AromaticContact CG-CH2 3.41Å; Y52-W139 HydrophobicContact CG-CH2 3.41Å; Y52-W139 VanDerWaalsContact CG-CH2 3.41Å; Y52-W139 HydrophobicContact CG-CZ2 4.44Å; Y52-W139 AromaticContact CG-CZ3 3.81Å; Y52-W139 HydrophobicContact CG-CZ3 3.81Å |
| 53 | F | 98.3 | Very high | 98 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 30% | 0.303 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -75.2 | -28.2 | -178 | -79.4 | -75.2 | 0 | 0 | 0 | 113.1 | C49 L50 N129 W139 | C49-F53 VanDerWaalsContact O-CD2 3.32Å; C49-F53 WeakPolarHBondContact O-CD2 3.44Å; C49-F53 PolarHBondContact O-N 3.06Å; C49-F53 VanDerWaalsContact O-N 3.11Å; L50-F53 PolarHBondContact O-N 3.2Å; L50-F53 VanDerWaalsContact O-N 3.13Å; F53-N129 HydrophobicContact CD1-CB 4Å; F53-N129 HydrophobicContact CD2-CB 3.63Å; F53-N129 HydrophobicContact CE1-CB 3.83Å; F53-N129 WeakPolarHBondContact CE1-OD1 3.5Å; F53-N129 HydrophobicContact CE2-CB 3.45Å; F53-N129 VanDerWaalsContact CE2-CB 3.45Å; F53-N129 HydrophobicContact CG-CB 3.92Å; F53-N129 HydrophobicContact CZ-CB 3.56Å; F53-W139 HydrophobicContact CE2-CZ2 4.13Å |
| 54 | E | 97.9 | Very high | 97.6 | Very high | 39 Ų | 39 | 40.7 Ų | 40.7 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.4 | -46.6 | 177.2 | -70.3 | -61.1 | 162.5 | 0 | 0 | 113.2 | L50 Q77 W123 S125 | L50-E54 HydrophobicContact CD1-CG 3.5Å; L50-E54 VanDerWaalsContact CD1-CG 3.5Å; L50-E54 HydrophobicContact CG-CG 4.14Å; L50-E54 WeakPolarHBondContact O-CB 3.43Å; L50-E54 WeakPolarHBondContact O-CG 3.34Å; L50-E54 PolarHBondContact O-N 3.44Å; E54-Q77 HydrophobicContact CB-CB 4.24Å; E54-Q77 HydrophobicContact CB-CG 3.97Å; E54-Q77 VanDerWaalsContact O-CG 3.3Å; E54-Q77 WeakPolarHBondContact O-CG 3.48Å; E54-Q77 WeakPolarHBondContact OE2-CB 3.41Å; E54-W123 VanDerWaalsContact OE1-CD1 3.3Å; E54-S125 WeakPolarHBondContact OE1-CB 3.39Å; E54-S125 PolarHBondContact OE1-OG 3.28Å |
| 55 | S | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -137 | 6.7 | -171.5 | 81.8 | 0 | 0 | 0 | 0 | 115.9 | A51 F57 N58 L75 | A51-S55 PolarHBondContact O-N 3.09Å; S55-F57 PolarHBondContact O-N 3.36Å; S55-F57 PolarHBondContact OG-N 3.08Å; S55-N58 VanDerWaalsContact CB-O 3.32Å; S55-N58 WeakPolarHBondContact CB-O 3.29Å; S55-N58 VanDerWaalsContact O-CB 3.26Å; S55-N58 WeakPolarHBondContact O-CB 3.39Å; S55-N58 PolarHBondContact O-N 3.24Å; S55-N58 PolarHBondContact OG-N 3.01Å; S55-N58 VanDerWaalsContact OG-N 3.07Å; S55-N58 PolarHBondContact OG-O 3.14Å; S55-L75 PolarHBondContact OG-O 3.34Å |
| 56 | K | 97.9 | Very high | 95.9 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 42% | 0.422 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 38.4 | -170.5 | -53.2 | -67.3 | 163 | -152.8 | 0 | 111.6 | V21 A51 Y52 N58 | V21-K56 WeakPolarHBondContact CG1-O 3.23Å; A51-K56 PolarHBondContact O-N 2.95Å; Y52-K56 HydrophobicContact CD2-CD 4.17Å; Y52-K56 HydrophobicContact CE1-CD 4.19Å; Y52-K56 HydrophobicContact CE2-CD 3.75Å; Y52-K56 WeakPolarHBondContact O-CA 3.42Å; Y52-K56 WeakPolarHBondContact O-CD 3.35Å; Y52-K56 PolarHBondContact O-N 3.08Å; Y52-K56 PolarHBondContact O-NZ 3.07Å; K56-N58 VanDerWaalsContact C-N 3.25Å; K56-N58 PolarHBondContact O-N 3.11Å |
| 57 | F | 98.3 | Very high | 95 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 16.9 | -176.2 | -52.9 | -50.7 | 0 | 0 | 0 | 116.1 | V21 L22 R24 V27 V48 A51 Y52 S55 P59 W139 | V21-F57 HydrophobicContact CG1-CB 4.3Å; L22-F57 PolarHBondContact N-O 2.63Å; L22-F57 WeakPolarHBondContact O-CB 3.43Å; R24-F57 HydrophobicContact CB-CD2 4.46Å; R24-F57 HydrophobicContact CB-CE2 3.73Å; R24-F57 HydrophobicContact CB-CZ 4.11Å; R24-F57 HydrophobicContact CG-CE2 4.09Å; R24-F57 HydrophobicContact CG-CZ 3.99Å; V27-F57 HydrophobicContact CB-CD1 4.1Å; V27-F57 HydrophobicContact CB-CE1 4.38Å; V27-F57 HydrophobicContact CG1-CD1 3.97Å; V27-F57 HydrophobicContact CG1-CE1 4.13Å; V27-F57 HydrophobicContact CG2-CB 3.9Å; V27-F57 HydrophobicContact CG2-CD1 3.76Å; V27-F57 HydrophobicContact CG2-CG 3.99Å; V48-F57 HydrophobicContact CG1-CE1 3.91Å; V48-F57 HydrophobicContact CG1-CZ 3.82Å; V48-F57 VanDerWaalsContact O-CE1 3.3Å; V48-F57 WeakPolarHBondContact O-CE1 3.19Å; A51-F57 HydrophobicContact CB-CD1 3.78Å; A51-F57 HydrophobicContact CB-CE1 3.84Å; A51-F57 PolarHBondContact O-N 3.05Å; Y52-F57 HydrophobicContact CD2-CD2 4.12Å; Y52-F57 AromaticContact CD2-CE2 3.7Å; Y52-F57 HydrophobicContact CD2-CE2 3.7Å; Y52-F57 HydrophobicContact CD2-CZ 4.07Å; Y52-F57 HydrophobicContact CG-CE2 4.39Å; Y52-F57 HydrophobicContact CG-CZ 4.31Å; S55-F57 PolarHBondContact O-N 3.36Å; S55-F57 PolarHBondContact OG-N 3.08Å; F57-P59 VanDerWaalsContact O-CD 3.26Å; F57-P59 WeakPolarHBondContact O-CD 3.46Å; F57-W139 HydrophobicContact CE2-CZ3 4.4Å; F57-W139 HydrophobicContact CZ-CE3 4.23Å; F57-W139 AromaticContact CZ-CZ3 3.9Å; F57-W139 HydrophobicContact CZ-CZ3 3.9Å |
| 58 | N | 97.9 | Very high | 93.9 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | trans | -78.7 | 110.8 | 170.3 | -173.7 | -8.4 | 0 | 0 | 0 | 110.1 | V21 S55 K56 M60 A61 | V21-N58 HydrophobicContact CG2-CB 4.16Å; S55-N58 VanDerWaalsContact CB-O 3.32Å; S55-N58 WeakPolarHBondContact CB-O 3.29Å; S55-N58 VanDerWaalsContact O-CB 3.26Å; S55-N58 WeakPolarHBondContact O-CB 3.39Å; S55-N58 PolarHBondContact O-N 3.24Å; S55-N58 PolarHBondContact OG-N 3.01Å; S55-N58 VanDerWaalsContact OG-N 3.07Å; S55-N58 PolarHBondContact OG-O 3.14Å; K56-N58 VanDerWaalsContact C-N 3.25Å; K56-N58 PolarHBondContact O-N 3.11Å; N58-M60 PolarHBondContact O-N 3.47Å; N58-M60 PolarHBondContact OD1-N 2.84Å; N58-A61 HydrophobicContact CB-CB 3.91Å; N58-A61 PolarHBondContact OD1-N 3.4Å | ||
| 59 | P | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9.3 | 179.4 | 35.5 | -35.1 | 0 | 0 | 0 | 112.6 | A20 L22 F57 G74 P101 L103 | A20-P59 WeakPolarHBondContact O-CD 3.34Å; A20-P59 VanDerWaalsContact O-CG 3.25Å; A20-P59 WeakPolarHBondContact O-CG 3.35Å; L22-P59 HydrophobicContact CD1-CB 4.17Å; L22-P59 HydrophobicContact CD1-CG 4.03Å; L22-P59 HydrophobicContact CG-CG 3.97Å; F57-P59 VanDerWaalsContact O-CD 3.26Å; F57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-G74 WeakPolarHBondContact O-CA 3.08Å; P59-P101 HydrophobicContact CG-CB 4.05Å; P59-P101 HydrophobicContact CG-CG 4Å; P59-L103 HydrophobicContact CB-CD2 3.76Å |
| 60 | M | 97.1 | Very high | 92.9 | Very high | 93 Ų | 93 | 68.9 Ų | 68.9 | 46% | 0.458 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 13.3 | -178.5 | -59.8 | 178.2 | 73.5 | 0 | 0 | 112.3 | A20 N58 P101 | A20-M60 HydrophobicContact CB-CB 4.33Å; A20-M60 HydrophobicContact CB-CG 4.35Å; A20-M60 HydrophobicContact CB-SD 3.95Å; N58-M60 PolarHBondContact O-N 3.47Å; N58-M60 PolarHBondContact OD1-N 2.84Å; M60-P101 HydrophobicContact CG-CG 4.43Å; M60-P101 HydrophobicContact SD-CG 4.17Å |
| 61 | A | 96.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | trans | -65.3 | 136.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N58 Y63 G74 Q77 | N58-A61 HydrophobicContact CB-CB 3.91Å; N58-A61 PolarHBondContact OD1-N 3.4Å; A61-Y63 HydrophobicContact CB-CE2 4Å; A61-G74 PolarHBondContact O-N 3.29Å; A61-Q77 PolarHBondContact O-NE2 3.18Å | ||
| 62 | V | 96.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 71.1 Ų | 71.1 | 42% | 0.418 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 116.6 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | I71 G72 Y73 L99 | V62-I71 HydrophobicContact CG1-CG2 3.49Å; V62-I71 VanDerWaalsContact CG1-CG2 3.49Å; V62-G72 WeakPolarHBondContact CA-O 3.47Å; V62-Y73 HydrophobicContact CG1-CE1 4.34Å; V62-Y73 HydrophobicContact CG2-CD1 4.23Å; V62-L99 HydrophobicContact CG2-CD1 3.7Å; V62-L99 HydrophobicContact CG2-CD2 3.69Å; V62-L99 HydrophobicContact CG2-CG 4.36Å |
| 63 | Y | 94.4 | Very high | 92.5 | Very high | 119 Ų | 119 | 68.6 Ų | 68.6 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.8 | 177.8 | -58.4 | -44.3 | 0 | 0 | 0 | 110.7 | A61 G72 Q77 | A61-Y63 HydrophobicContact CB-CE2 4Å; Y63-G72 PolarHBondContact N-O 2.98Å; Y63-G72 VanDerWaalsContact N-O 3.15Å; Y63-G72 PolarHBondContact O-N 3.33Å; Y63-Q77 HydrophobicContact CD2-CG 4Å; Y63-Q77 HydrophobicContact CE2-CG 4.44Å |
| 64 | E | 90.9 | Very high | 92.5 | Very high | 152 Ų | 152 | 65.3 Ų | 65.3 | 71% | 0.71 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.4 | 172.8 | -175.1 | 175.1 | 178.6 | 0 | 0 | 109.8 | I71 | E64-I71 HydrophobicContact CB-CG1 4.39Å; E64-I71 HydrophobicContact CG-CG1 4.22Å |
| 65 | N | 81.2 | Confident | 92.5 | Very high | 57 Ų | 57 | 63.4 Ų | 63.4 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 96.5 | 174.8 | -169.7 | -43 | 0 | 0 | 0 | 110 | R67 S68 D69 F70 | N65-R67 PolarHBondContact O-N 2.96Å; N65-R67 WeakPolarHBondContact OD1-CB 3.4Å; N65-R67 PolarHBondContact OD1-N 2.95Å; N65-S68 PolarHBondContact O-N 3.4Å; N65-S68 VanDerWaalsContact O-N 3.15Å; N65-S68 PolarHBondContact OD1-N 3.45Å; N65-S68 VanDerWaalsContact OD1-N 3.14Å; N65-D69 PolarHBondContact O-N 3.04Å; N65-D69 VanDerWaalsContact O-N 3.09Å; N65-F70 HydrophobicContact CB-CD1 4.36Å; N65-F70 HydrophobicContact CB-CE1 4.09Å; N65-F70 HydrophobicContact CB-CE2 4.22Å; N65-F70 HydrophobicContact CB-CZ 4Å; N65-F70 PolarHBondContact N-O 3.34Å |
| 66 | S | 79.3 | Confident | 92.6 | Very high | 116 Ų | 116 | 63.3 Ų | 63.3 | 81% | 0.811 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.8 | -179.4 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 67 | R | 80.9 | Confident | 92.6 | Very high | 230 Ų | 230 | 59.3 Ų | 59.3 | 87% | 0.868 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -28 | -179.9 | -65.3 | -179.6 | 62.1 | -179 | -0.7 | 113.8 | N65 | N65-R67 PolarHBondContact O-N 2.96Å; N65-R67 WeakPolarHBondContact OD1-CB 3.4Å; N65-R67 PolarHBondContact OD1-N 2.95Å |
| 68 | S | 76.3 | Confident | 92.5 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 6.3 | -169.9 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | N65 F70 | N65-S68 PolarHBondContact O-N 3.4Å; N65-S68 VanDerWaalsContact O-N 3.15Å; N65-S68 PolarHBondContact OD1-N 3.45Å; N65-S68 VanDerWaalsContact OD1-N 3.14Å; S68-F70 VanDerWaalsContact CB-CD1 3.42Å; S68-F70 VanDerWaalsContact CB-CE1 3.43Å; S68-F70 PolarHBondContact O-N 3.46Å; S68-F70 VanDerWaalsContact O-N 3.13Å |
| 69 | D | 85.1 | Confident | 92.4 | Very high | 155 Ų | 155 | 60.3 Ų | 60.3 | 83% | 0.829 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.9 | 174.5 | -145.5 | 17.2 | 0 | 0 | 0 | 113.5 | N65 | N65-D69 PolarHBondContact O-N 3.04Å; N65-D69 VanDerWaalsContact O-N 3.09Å |
| 70 | F | 89.7 | Confident | 92.2 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.4 | 173.1 | 76.7 | -101.1 | 0 | 0 | 0 | 110.7 | N65 S68 R79 H81 | N65-F70 HydrophobicContact CB-CD1 4.36Å; N65-F70 HydrophobicContact CB-CE1 4.09Å; N65-F70 HydrophobicContact CB-CE2 4.22Å; N65-F70 HydrophobicContact CB-CZ 4Å; N65-F70 PolarHBondContact N-O 3.34Å; S68-F70 VanDerWaalsContact CB-CD1 3.42Å; S68-F70 VanDerWaalsContact CB-CE1 3.43Å; S68-F70 PolarHBondContact O-N 3.46Å; S68-F70 VanDerWaalsContact O-N 3.13Å; F70-R79 HydrophobicContact CD2-CB 3.8Å; F70-R79 HydrophobicContact CD2-CG 3.55Å; F70-R79 HydrophobicContact CE2-CB 4.31Å; F70-R79 HydrophobicContact CE2-CG 3.54Å; F70-R79 HydrophobicContact CG-CB 4.26Å; F70-R79 HydrophobicContact CG-CG 4.23Å; F70-R79 HydrophobicContact CZ-CG 4.18Å; F70-H81 WeakPolarHBondContact CB-ND1 3.34Å |
| 71 | I | 94.7 | Very high | 92 | Very high | 46 Ų | 46 | 60.9 Ų | 60.9 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.1 | 173.5 | -55.9 | 171.6 | 0 | 0 | 0 | 107.8 | V62 E64 Y73 R79 N80 | V62-I71 HydrophobicContact CG1-CG2 3.49Å; V62-I71 VanDerWaalsContact CG1-CG2 3.49Å; E64-I71 HydrophobicContact CB-CG1 4.39Å; E64-I71 HydrophobicContact CG-CG1 4.22Å; I71-Y73 HydrophobicContact CB-CE2 3.6Å; I71-Y73 HydrophobicContact CG2-CD2 4.18Å; I71-Y73 HydrophobicContact CG2-CE1 4.19Å; I71-Y73 HydrophobicContact CG2-CE2 3.48Å; I71-Y73 VanDerWaalsContact CG2-CE2 3.48Å; I71-Y73 VanDerWaalsContact CG2-CZ 3.5Å; I71-Y73 WeakPolarHBondContact O-CD2 3.3Å; I71-Y73 VanDerWaalsContact O-CE2 3.26Å; I71-Y73 WeakPolarHBondContact O-CE2 3.03Å; I71-R79 WeakPolarHBondContact O-CA 3.4Å; I71-N80 PolarHBondContact N-OD1 3.17Å; I71-N80 PolarHBondContact O-N 2.95Å; I71-N80 VanDerWaalsContact O-N 3.09Å; I71-N80 PolarHBondContact O-OD1 3.28Å |
| 72 | G | 96.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 140.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V62 Y63 Q77 | V62-G72 WeakPolarHBondContact CA-O 3.47Å; Y63-G72 PolarHBondContact N-O 2.98Å; Y63-G72 VanDerWaalsContact N-O 3.15Å; Y63-G72 PolarHBondContact O-N 3.33Å; G72-Q77 VanDerWaalsContact C-OE1 3.3Å; G72-Q77 PolarHBondContact O-OE1 3.13Å |
| 73 | Y | 97.5 | Very high | 91.9 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.7 | -176.4 | -62.9 | -101 | 0 | 0 | 0 | 112.8 | V62 I71 Q77 I78 N80 C95 L99 | V62-Y73 HydrophobicContact CG1-CE1 4.34Å; V62-Y73 HydrophobicContact CG2-CD1 4.23Å; I71-Y73 HydrophobicContact CB-CE2 3.6Å; I71-Y73 HydrophobicContact CG2-CD2 4.18Å; I71-Y73 HydrophobicContact CG2-CE1 4.19Å; I71-Y73 HydrophobicContact CG2-CE2 3.48Å; I71-Y73 VanDerWaalsContact CG2-CE2 3.48Å; I71-Y73 VanDerWaalsContact CG2-CZ 3.5Å; I71-Y73 WeakPolarHBondContact O-CD2 3.3Å; I71-Y73 VanDerWaalsContact O-CE2 3.26Å; I71-Y73 WeakPolarHBondContact O-CE2 3.03Å; Y73-Q77 WeakPolarHBondContact O-CA 3.36Å; Y73-Q77 PolarHBondContact O-N 3.11Å; Y73-I78 WeakPolarHBondContact CD2-O 3.21Å; Y73-I78 PolarHBondContact N-O 3.41Å; Y73-I78 PolarHBondContact O-N 2.91Å; Y73-N80 HydrophobicContact CE2-CB 3.79Å; Y73-C95 HydrophobicContact CD1-CB 3.65Å; Y73-C95 HydrophobicContact CD2-CB 3.78Å; Y73-C95 HydrophobicContact CE1-CB 3.65Å; Y73-C95 HydrophobicContact CE2-CB 3.81Å; Y73-C95 HydrophobicContact CG-CB 3.72Å; Y73-L99 HydrophobicContact CD1-CD1 4.2Å; Y73-L99 HydrophobicContact CD1-CD2 4.2Å; Y73-L99 HydrophobicContact CD1-CG 4.3Å |
| 74 | G | 98 | Very high | 92 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | -160.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P59 A61 F76 Q77 | P59-G74 WeakPolarHBondContact O-CA 3.08Å; A61-G74 PolarHBondContact O-N 3.29Å; G74-F76 VanDerWaalsContact C-N 3.25Å; G74-F76 PolarHBondContact O-N 3.13Å; G74-F76 VanDerWaalsContact O-N 3.16Å; G74-Q77 PolarHBondContact O-N 3.24Å; G74-Q77 VanDerWaalsContact O-N 3.12Å; G74-Q77 PolarHBondContact O-NE2 2.93Å |
| 75 | L | 98.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -37 | -171.5 | -170.4 | 71 | 0 | 0 | 0 | 114.3 | V27 L31 A51 S55 L103 T106 | V27-L75 HydrophobicContact CG1-CD2 4.06Å; V27-L75 HydrophobicContact CG2-CD1 4.39Å; L31-L75 HydrophobicContact CD2-CD2 4.15Å; A51-L75 HydrophobicContact CB-CD1 3.95Å; A51-L75 HydrophobicContact CB-CD2 3.93Å; A51-L75 HydrophobicContact CB-CG 3.72Å; S55-L75 PolarHBondContact OG-O 3.34Å; L75-L103 HydrophobicContact CB-CD2 3.87Å; L75-L103 HydrophobicContact CD2-CD1 3.71Å; L75-L103 HydrophobicContact CD2-CD2 3.81Å; L75-L103 HydrophobicContact CD2-CG 4.41Å; L75-L103 HydrophobicContact CG-CD2 4.34Å; L75-T106 HydrophobicContact CB-CG2 4.13Å |
| 76 | F | 98.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 13.3 | -177 | -61.2 | -50.6 | 0 | 0 | 0 | 113.1 | L31 W47 L50 A51 G74 I78 T106 A110 W123 | L31-F76 HydrophobicContact CD1-CZ 4.19Å; L31-F76 HydrophobicContact CD2-CE2 4.08Å; L31-F76 HydrophobicContact CD2-CZ 3.72Å; W47-F76 HydrophobicContact CE3-CE1 4.15Å; W47-F76 HydrophobicContact CE3-CE2 4.14Å; W47-F76 AromaticContact CE3-CZ 3.68Å; W47-F76 HydrophobicContact CE3-CZ 3.68Å; W47-F76 HydrophobicContact CZ3-CE2 4.24Å; W47-F76 HydrophobicContact CZ3-CZ 4.22Å; L50-F76 HydrophobicContact CB-CE1 4.46Å; L50-F76 HydrophobicContact CD2-CD1 3.75Å; L50-F76 HydrophobicContact CD2-CE1 4.03Å; L50-F76 HydrophobicContact CD2-CG 4.38Å; L50-F76 HydrophobicContact CG-CD1 3.81Å; L50-F76 HydrophobicContact CG-CE1 4.14Å; A51-F76 HydrophobicContact CB-CD1 4.18Å; A51-F76 HydrophobicContact CB-CE1 3.69Å; G74-F76 VanDerWaalsContact C-N 3.25Å; G74-F76 PolarHBondContact O-N 3.13Å; G74-F76 VanDerWaalsContact O-N 3.16Å; F76-I78 HydrophobicContact CB-CG1 4.12Å; F76-I78 PolarHBondContact O-N 3.43Å; F76-I78 VanDerWaalsContact O-N 3.13Å; F76-T106 HydrophobicContact CD2-CG2 3.78Å; F76-T106 HydrophobicContact CE2-CG2 4.33Å; F76-A110 HydrophobicContact CD2-CB 3.86Å; F76-A110 HydrophobicContact CE2-CB 3.94Å; F76-W123 HydrophobicContact CB-CZ2 4.18Å; F76-W123 PolarHBondContact O-NE1 3.38Å |
| 77 | Q | 97.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 47.6 | 179.7 | -66.3 | -61.8 | -63.7 | 0 | 0 | 113.3 | E54 A61 Y63 G72 Y73 G74 R79 | E54-Q77 HydrophobicContact CB-CB 4.24Å; E54-Q77 HydrophobicContact CB-CG 3.97Å; E54-Q77 VanDerWaalsContact O-CG 3.3Å; E54-Q77 WeakPolarHBondContact O-CG 3.48Å; E54-Q77 WeakPolarHBondContact OE2-CB 3.41Å; A61-Q77 PolarHBondContact O-NE2 3.18Å; Y63-Q77 HydrophobicContact CD2-CG 4Å; Y63-Q77 HydrophobicContact CE2-CG 4.44Å; G72-Q77 VanDerWaalsContact C-OE1 3.3Å; G72-Q77 PolarHBondContact O-OE1 3.13Å; Y73-Q77 WeakPolarHBondContact O-CA 3.36Å; Y73-Q77 PolarHBondContact O-N 3.11Å; G74-Q77 PolarHBondContact O-N 3.24Å; G74-Q77 VanDerWaalsContact O-N 3.12Å; G74-Q77 PolarHBondContact O-NE2 2.93Å; Q77-R79 PolarHBondContact O-N 2.03Å |
| 78 | I | 97.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 126.7 | -177.4 | -66 | 172.4 | 0 | 0 | 0 | 108.6 | Y73 F76 W83 L98 T106 C109 I113 W123 | Y73-I78 WeakPolarHBondContact CD2-O 3.21Å; Y73-I78 PolarHBondContact N-O 3.41Å; Y73-I78 PolarHBondContact O-N 2.91Å; F76-I78 HydrophobicContact CB-CG1 4.12Å; F76-I78 PolarHBondContact O-N 3.43Å; F76-I78 VanDerWaalsContact O-N 3.13Å; I78-W83 HydrophobicContact CG2-CB 3.42Å; I78-W83 VanDerWaalsContact CG2-CB 3.42Å; I78-W83 HydrophobicContact CG2-CG 3.87Å; I78-L98 HydrophobicContact CB-CD1 3.9Å; I78-L98 HydrophobicContact CD1-CD1 4.33Å; I78-L98 HydrophobicContact CD1-CD2 4.2Å; I78-L98 HydrophobicContact CG2-CD1 3.92Å; I78-T106 HydrophobicContact CD1-CG2 4.42Å; I78-C109 HydrophobicContact CD1-CB 3.97Å; I78-I113 HydrophobicContact CD1-CD1 4.08Å; I78-I113 HydrophobicContact CG1-CD1 3.93Å; I78-I113 HydrophobicContact CG2-CD1 4.09Å; I78-W123 HydrophobicContact CG1-CZ2 4.48Å |
| 79 | R | 95.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 47.6 Ų | 47.6 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131.3 | -170.7 | -47.7 | -177.9 | -57.8 | 179.9 | 5.9 | 111.5 | F70 I71 Q77 H81 D82 W83 | F70-R79 HydrophobicContact CD2-CB 3.8Å; F70-R79 HydrophobicContact CD2-CG 3.55Å; F70-R79 HydrophobicContact CE2-CB 4.31Å; F70-R79 HydrophobicContact CE2-CG 3.54Å; F70-R79 HydrophobicContact CG-CB 4.26Å; F70-R79 HydrophobicContact CG-CG 4.23Å; F70-R79 HydrophobicContact CZ-CG 4.18Å; I71-R79 WeakPolarHBondContact O-CA 3.4Å; Q77-R79 PolarHBondContact O-N 2.03Å; R79-H81 VanDerWaalsContact CZ-NE2 3.31Å; R79-H81 PolarHBondContact NE-CE1 3.16Å; R79-H81 PolarHBondContact NE-NE2 3.13Å; R79-H81 PolarHBondContact NH2-NE2 2.99Å; R79-H81 VanDerWaalsContact NH2-NE2 3.1Å; R79-H81 PolarHBondContact O-N 3.37Å; R79-D82 IonicContact CZ-OD2 3.12Å; R79-D82 IonicContact NH2-OD2 3.97Å; R79-D82 PolarHBondContact NH2-OD2 3.16Å; R79-W83 PolarHBondContact O-N 3.01Å |
| 80 | N | 94.5 | Very high | 94.3 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.6 | -53.8 | 178.9 | 55.5 | -10.5 | 0 | 0 | 0 | 114.2 | I71 Y73 D82 W83 C84 | I71-N80 PolarHBondContact N-OD1 3.17Å; I71-N80 PolarHBondContact O-N 2.95Å; I71-N80 VanDerWaalsContact O-N 3.09Å; I71-N80 PolarHBondContact O-OD1 3.28Å; Y73-N80 HydrophobicContact CE2-CB 3.79Å; N80-D82 PolarHBondContact O-N 3.31Å; N80-W83 PolarHBondContact O-N 2.04Å; N80-C84 PolarHBondContact O-N 2.94Å |
| 81 | H | 92.5 | Very high | 94.7 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -51.9 | -34.2 | -169.6 | 63.8 | -94.8 | 0 | 0 | 0 | 115.7 | F70 R79 R88 | F70-H81 WeakPolarHBondContact CB-ND1 3.34Å; R79-H81 VanDerWaalsContact CZ-NE2 3.31Å; R79-H81 PolarHBondContact NE-CE1 3.16Å; R79-H81 PolarHBondContact NE-NE2 3.13Å; R79-H81 PolarHBondContact NH2-NE2 2.99Å; R79-H81 VanDerWaalsContact NH2-NE2 3.1Å; R79-H81 PolarHBondContact O-N 3.37Å; H81-R88 PolarHBondContact O-N 3.03Å |
| 82 | D | 93.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -98.2 | -36 | -178.2 | -84.9 | -41.1 | 0 | 0 | 0 | 112.6 | R79 N80 R88 N89 R90 | R79-D82 IonicContact CZ-OD2 3.12Å; R79-D82 IonicContact NH2-OD2 3.97Å; R79-D82 PolarHBondContact NH2-OD2 3.16Å; N80-D82 PolarHBondContact O-N 3.31Å; D82-R88 WeakPolarHBondContact OD1-CD 3.49Å; D82-R88 IonicContact OD1-CZ 3.93Å; D82-R88 IonicContact OD1-NE 3.88Å; D82-R88 IonicContact OD1-NH1 2.86Å; D82-R88 PolarHBondContact OD1-NH1 3.17Å; D82-R88 VanDerWaalsContact OD1-NH1 3.12Å; D82-N89 PolarHBondContact O-N 3.12Å; D82-R90 WeakPolarHBondContact O-CB 3.06Å; D82-R90 VanDerWaalsContact O-CG 3.31Å; D82-R90 WeakPolarHBondContact O-CG 3.38Å; D82-R90 PolarHBondContact O-N 3.15Å |
| 83 | W | 97.2 | Very high | 94.9 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 11% | 0.114 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -116.7 | -30.4 | -155.4 | -58.6 | 110.9 | 0 | 0 | 0 | 115.1 | I78 R79 N80 N89 R90 C91 T112 I113 | I78-W83 HydrophobicContact CG2-CB 3.42Å; I78-W83 VanDerWaalsContact CG2-CB 3.42Å; I78-W83 HydrophobicContact CG2-CG 3.87Å; R79-W83 PolarHBondContact O-N 3.01Å; N80-W83 PolarHBondContact O-N 2.04Å; W83-N89 CarbonylContact O-C 3.58Å; W83-N89 PolarHBondContact O-OD1 3Å; W83-R90 HydrophobicContact CE3-CB 3.61Å; W83-R90 HydrophobicContact CE3-CG 4.44Å; W83-R90 HydrophobicContact CZ3-CB 3.77Å; W83-R90 HydrophobicContact CZ3-CG 4.41Å; W83-C91 WeakPolarHBondContact O-CB 3.48Å; W83-C91 PolarHBondContact O-N 3.3Å; W83-T112 HydrophobicContact CZ3-CG2 4.35Å; W83-I113 HydrophobicContact CD2-CD1 3.97Å; W83-I113 HydrophobicContact CD2-CG1 3.56Å; W83-I113 HydrophobicContact CE3-CD1 4.34Å; W83-I113 HydrophobicContact CE3-CG1 3.51Å; W83-I113 HydrophobicContact CG-CD1 4.16Å; W83-I113 HydrophobicContact CG-CG1 4.27Å; W83-I113 HydrophobicContact CH2-CB 4.08Å; W83-I113 HydrophobicContact CH2-CG1 3.75Å; W83-I113 HydrophobicContact CH2-CG2 4.12Å; W83-I113 HydrophobicContact CZ2-CB 4.21Å; W83-I113 HydrophobicContact CZ2-CG1 3.77Å; W83-I113 HydrophobicContact CZ2-CG2 3.87Å; W83-I113 HydrophobicContact CZ3-CB 4.29Å; W83-I113 HydrophobicContact CZ3-CG1 3.62Å |
| 84 | C | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -145.8 | 164 | -174.2 | 59.1 | 0 | 0 | 0 | 0 | 113.1 | N80 H86 N89 M93 C95 L98 | N80-C84 PolarHBondContact O-N 2.94Å; C84-H86 PolarHBondContact O-N 3.3Å; C84-N89 WeakPolarHBondContact CA-OD1 3.36Å; C84-M93 WeakPolarHBondContact CA-O 3.3Å; C84-M93 HydrophobicContact CB-CG 4.49Å; C84-M93 WeakPolarHBondContact CB-O 3.36Å; C84-C95 HydrophobicContact CB-CB 3.97Å; C84-C95 WeakPolarHBondContact CB-SG 3.08Å; C84-C95 WeakPolarHBondContact SG-CA 3.44Å; C84-C95 WeakPolarHBondContact SG-CB 3.49Å; C84-C95 CovalentContact SG-SG 2.04Å; C84-C95 PolarHBondContact SG-SG 3.35Å; C84-L98 HydrophobicContact CB-CD1 4.15Å |
| 85 | D | 93.4 | Very high | 94.9 | Very high | 60 Ų | 60 | 52 Ų | 52 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 56.7 | -86.8 | -175.5 | -73.3 | -23.6 | 0 | 0 | 0 | 114.6 | N89 M93 S94 C95 | D85-N89 PolarHBondContact O-ND2 3.38Å; D85-M93 PolarHBondContact N-O 3.06Å; D85-S94 WeakPolarHBondContact OD1-CA 3.36Å; D85-S94 VanDerWaalsContact OD1-CB 3.24Å; D85-S94 WeakPolarHBondContact OD1-CB 3.44Å; D85-C95 VanDerWaalsContact CG-N 3.26Å; D85-C95 PolarHBondContact OD1-N 3.38Å; D85-C95 WeakPolarHBondContact OD2-CB 3.42Å; D85-C95 PolarHBondContact OD2-N 3.26Å; D85-C95 PolarHBondContact OD2-SG 2.7Å |
| 86 | H | 82.1 | Confident | 94.9 | Very high | 157 Ų | 157 | 55.8 Ų | 55.8 | 73% | 0.727 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -124.3 | 164.2 | -166.2 | -58.1 | -54.5 | 0 | 0 | 0 | 111.7 | C84 | C84-H86 PolarHBondContact O-N 3.3Š|
| 87 | G | 80.2 | Confident | 94.8 | Very high | 77 Ų | 77 | 57.2 Ų | 57.2 | 79% | 0.794 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -121.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 88 | R | 92 | Very high | 94.8 | Very high | 158 Ų | 158 | 56.6 Ų | 56.6 | 60% | 0.596 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -25.9 | -175.3 | -66.3 | 173.4 | 170.1 | 178.8 | -1.8 | 113.8 | H81 D82 R90 | H81-R88 PolarHBondContact O-N 3.03Å; D82-R88 WeakPolarHBondContact OD1-CD 3.49Å; D82-R88 IonicContact OD1-CZ 3.93Å; D82-R88 IonicContact OD1-NE 3.88Å; D82-R88 IonicContact OD1-NH1 2.86Å; D82-R88 PolarHBondContact OD1-NH1 3.17Å; D82-R88 VanDerWaalsContact OD1-NH1 3.12Å; R88-R90 HydrophobicContact CB-CG 4.06Å; R88-R90 PolarHBondContact O-N 2.89Å; R88-R90 VanDerWaalsContact O-N 3.09Å |
| 89 | N | 96.1 | Very high | 94.8 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | trans | 38.2 | 52 | 178.8 | -169.2 | 4.3 | 0 | 0 | 0 | 113.5 | D82 W83 C84 D85 C91 H92 M93 | D82-N89 PolarHBondContact O-N 3.12Å; W83-N89 CarbonylContact O-C 3.58Å; W83-N89 PolarHBondContact O-OD1 3Å; C84-N89 WeakPolarHBondContact CA-OD1 3.36Å; D85-N89 PolarHBondContact O-ND2 3.38Å; N89-C91 PolarHBondContact O-N 2.89Å; N89-C91 VanDerWaalsContact O-N 3.16Å; N89-H92 PolarHBondContact O-N 3.21Å; N89-H92 WeakPolarHBondContact OD1-CA 3.26Å; N89-H92 PolarHBondContact OD1-N 3.09Å; N89-H92 VanDerWaalsContact OD1-N 3.17Å; N89-M93 PolarHBondContact OD1-N 3.17Å; N89-M93 PolarHBondContact OD1-O 3.04Å | ||
| 90 | R | 97.5 | Very high | 94.9 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 44% | 0.438 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.7 | -172.2 | -68.6 | 174.7 | -175.8 | -77.9 | 2.2 | 113.9 | D82 W83 R88 | D82-R90 WeakPolarHBondContact O-CB 3.06Å; D82-R90 VanDerWaalsContact O-CG 3.31Å; D82-R90 WeakPolarHBondContact O-CG 3.38Å; D82-R90 PolarHBondContact O-N 3.15Å; W83-R90 HydrophobicContact CE3-CB 3.61Å; W83-R90 HydrophobicContact CE3-CG 4.44Å; W83-R90 HydrophobicContact CZ3-CB 3.77Å; W83-R90 HydrophobicContact CZ3-CG 4.41Å; R88-R90 HydrophobicContact CB-CG 4.06Å; R88-R90 PolarHBondContact O-N 2.89Å; R88-R90 VanDerWaalsContact O-N 3.09Å |
| 91 | C | 98.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 8% | 0.081 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -2.3 | 173.9 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | W83 N89 M93 C109 | W83-C91 WeakPolarHBondContact O-CB 3.48Å; W83-C91 PolarHBondContact O-N 3.3Å; N89-C91 PolarHBondContact O-N 2.89Å; N89-C91 VanDerWaalsContact O-N 3.16Å; C91-M93 VanDerWaalsContact C-N 3.35Å; C91-M93 HydrophobicContact CB-CE 4.05Å; C91-M93 HydrophobicContact CB-CG 3.89Å; C91-M93 HydrophobicContact CB-SD 4.15Å; C91-M93 WeakPolarHBondContact O-CE 3.4Å; C91-M93 PolarHBondContact O-N 2.83Å; C91-C109 HydrophobicContact CB-CB 3.64Å; C91-C109 WeakPolarHBondContact CB-SG 3.47Å; C91-C109 WeakPolarHBondContact SG-CA 3.32Å; C91-C109 WeakPolarHBondContact SG-CB 3.34Å; C91-C109 CovalentContact SG-SG 2.03Å; C91-C109 PolarHBondContact SG-SG 2.81Å |
| 92 | H | 97.6 | Very high | 95.1 | Very high | 162 Ų | 162 | 60.6 Ų | 60.6 | 75% | 0.75 | 33% | 0.325 | S | S | * | . | trans | 53.3 | 46.3 | 178.3 | -55.5 | -66.8 | 0 | 0 | 0 | 113.5 | N89 | N89-H92 PolarHBondContact O-N 3.21Å; N89-H92 WeakPolarHBondContact OD1-CA 3.26Å; N89-H92 PolarHBondContact OD1-N 3.09Å; N89-H92 VanDerWaalsContact OD1-N 3.17Å | ||
| 93 | M | 98 | Very high | 95.3 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -149.9 | 163.3 | -177.2 | 62.1 | -179.5 | 63.4 | 0 | 0 | 112.4 | C84 D85 N89 C91 L98 K105 E108 C109 | C84-M93 WeakPolarHBondContact CA-O 3.3Å; C84-M93 HydrophobicContact CB-CG 4.49Å; C84-M93 WeakPolarHBondContact CB-O 3.36Å; D85-M93 PolarHBondContact N-O 3.06Å; N89-M93 PolarHBondContact OD1-N 3.17Å; N89-M93 PolarHBondContact OD1-O 3.04Å; C91-M93 VanDerWaalsContact C-N 3.35Å; C91-M93 HydrophobicContact CB-CE 4.05Å; C91-M93 HydrophobicContact CB-CG 3.89Å; C91-M93 HydrophobicContact CB-SD 4.15Å; C91-M93 WeakPolarHBondContact O-CE 3.4Å; C91-M93 PolarHBondContact O-N 2.83Å; M93-L98 HydrophobicContact SD-CD2 3.59Å; M93-L98 VanDerWaalsContact SD-CD2 3.59Å; M93-L98 HydrophobicContact SD-CG 4.36Å; M93-K105 HydrophobicContact CE-CB 4.49Å; M93-K105 HydrophobicContact CE-CD 3.94Å; M93-K105 HydrophobicContact SD-CB 4.23Å; M93-K105 HydrophobicContact SD-CD 4.4Å; M93-E108 HydrophobicContact CE-CB 4.34Å; M93-C109 HydrophobicContact CE-CB 4.13Å; M93-C109 HydrophobicContact SD-CB 3.94Å |
| 94 | S | 97.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | trans | -74.9 | 149.8 | 171.8 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | D85 S96 A97 | D85-S94 WeakPolarHBondContact OD1-CA 3.36Å; D85-S94 VanDerWaalsContact OD1-CB 3.24Å; D85-S94 WeakPolarHBondContact OD1-CB 3.44Å; S94-S96 WeakPolarHBondContact CB-OG 3.36Å; S94-S96 PolarHBondContact O-N 3.16Å; S94-S96 PolarHBondContact OG-OG 3.04Å; S94-A97 WeakPolarHBondContact O-CB 3.26Å; S94-A97 PolarHBondContact O-N 3.03Å; S94-A97 VanDerWaalsContact O-N 3.13Å; S94-A97 PolarHBondContact OG-N 3.16Å | ||
| 95 | C | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -67.6 | -27.4 | 175.1 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | Y73 C84 D85 A97 L98 | Y73-C95 HydrophobicContact CD1-CB 3.65Å; Y73-C95 HydrophobicContact CD2-CB 3.78Å; Y73-C95 HydrophobicContact CE1-CB 3.65Å; Y73-C95 HydrophobicContact CE2-CB 3.81Å; Y73-C95 HydrophobicContact CG-CB 3.72Å; C84-C95 HydrophobicContact CB-CB 3.97Å; C84-C95 WeakPolarHBondContact CB-SG 3.08Å; C84-C95 WeakPolarHBondContact SG-CA 3.44Å; C84-C95 WeakPolarHBondContact SG-CB 3.49Å; C84-C95 CovalentContact SG-SG 2.04Å; C84-C95 PolarHBondContact SG-SG 3.35Å; D85-C95 VanDerWaalsContact CG-N 3.26Å; D85-C95 PolarHBondContact OD1-N 3.38Å; D85-C95 WeakPolarHBondContact OD2-CB 3.42Å; D85-C95 PolarHBondContact OD2-N 3.26Å; D85-C95 PolarHBondContact OD2-SG 2.7Å; C95-A97 PolarHBondContact O-N 2.85Å; C95-L98 WeakPolarHBondContact O-CB 3.25Å; C95-L98 PolarHBondContact O-N 3.44Å; C95-L98 VanDerWaalsContact O-N 3.1Å |
| 96 | S | 97.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 66 Ų | 66 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -61.1 | -29 | 171.8 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | S94 L98 L99 | S94-S96 WeakPolarHBondContact CB-OG 3.36Å; S94-S96 PolarHBondContact O-N 3.16Å; S94-S96 PolarHBondContact OG-OG 3.04Å; S96-L98 PolarHBondContact O-N 2.76Å; S96-L99 PolarHBondContact O-N 3.49Å; S96-L99 VanDerWaalsContact O-N 3.17Å |
| 97 | A | 97.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 59 Ų | 59 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -67.1 | -18.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S94 C95 K105 | S94-A97 WeakPolarHBondContact O-CB 3.26Å; S94-A97 PolarHBondContact O-N 3.03Å; S94-A97 VanDerWaalsContact O-N 3.13Å; S94-A97 PolarHBondContact OG-N 3.16Å; C95-A97 PolarHBondContact O-N 2.85Å; A97-K105 HydrophobicContact CB-CB 4.29Å; A97-K105 HydrophobicContact CB-CG 4.22Å; A97-K105 WeakPolarHBondContact O-CB 3.29Å |
| 98 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -83.8 | -13.3 | 177.9 | -55.4 | 174 | 0 | 0 | 0 | 112.9 | I78 C84 M93 C95 S96 N100 T106 C109 | I78-L98 HydrophobicContact CB-CD1 3.9Å; I78-L98 HydrophobicContact CD1-CD1 4.33Å; I78-L98 HydrophobicContact CD1-CD2 4.2Å; I78-L98 HydrophobicContact CG2-CD1 3.92Å; C84-L98 HydrophobicContact CB-CD1 4.15Å; M93-L98 HydrophobicContact SD-CD2 3.59Å; M93-L98 VanDerWaalsContact SD-CD2 3.59Å; M93-L98 HydrophobicContact SD-CG 4.36Å; C95-L98 WeakPolarHBondContact O-CB 3.25Å; C95-L98 PolarHBondContact O-N 3.44Å; C95-L98 VanDerWaalsContact O-N 3.1Å; S96-L98 PolarHBondContact O-N 2.76Å; L98-N100 VanDerWaalsContact C-N 3.28Å; L98-N100 PolarHBondContact O-N 3.39Å; L98-T106 PolarHBondContact O-OG1 3.5Å; L98-T106 VanDerWaalsContact O-OG1 3.14Å; L98-C109 HydrophobicContact CD2-CB 4.13Å |
| 99 | L | 97.5 | Very high | 97.7 | Very high | 46 Ų | 46 | 51.1 Ų | 51.1 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -92.1 | 53.6 | -179.4 | -55.2 | -179.8 | 0 | 0 | 0 | 111 | V62 Y73 S96 | V62-L99 HydrophobicContact CG2-CD1 3.7Å; V62-L99 HydrophobicContact CG2-CD2 3.69Å; V62-L99 HydrophobicContact CG2-CG 4.36Å; Y73-L99 HydrophobicContact CD1-CD1 4.2Å; Y73-L99 HydrophobicContact CD1-CD2 4.2Å; Y73-L99 HydrophobicContact CD1-CG 4.3Å; S96-L99 PolarHBondContact O-N 3.49Å; S96-L99 VanDerWaalsContact O-N 3.17Å |
| 100 | N | 95.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 43% | 0.428 | 25% | 0.253 | S | S | . | . | trans | -134.2 | 122.8 | -175 | -170.3 | -26.3 | 0 | 0 | 0 | 111.4 | L98 D102 L103 | L98-N100 VanDerWaalsContact C-N 3.28Å; L98-N100 PolarHBondContact O-N 3.39Å; N100-D102 PolarHBondContact O-N 3.01Å; N100-D102 VanDerWaalsContact O-N 3.08Å; N100-D102 WeakPolarHBondContact OD1-CB 3.35Å; N100-D102 PolarHBondContact OD1-N 2.96Å; N100-L103 PolarHBondContact O-N 3.31Å | ||
| 101 | P | 96.2 | Very high | 97.9 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -16.6 | 175.4 | -24.4 | 34 | 0 | 0 | 0 | 115.7 | L22 K30 P59 M60 L103 | L22-P101 HydrophobicContact CD2-CB 4.47Å; K30-P101 VanDerWaalsContact CE-O 3.25Å; K30-P101 WeakPolarHBondContact CE-O 3.46Å; P59-P101 HydrophobicContact CG-CB 4.05Å; P59-P101 HydrophobicContact CG-CG 4Å; M60-P101 HydrophobicContact CG-CG 4.43Å; M60-P101 HydrophobicContact SD-CG 4.17Å; P101-L103 PolarHBondContact O-N 2.82Å |
| 102 | D | 96.1 | Very high | 97.9 | Very high | 87 Ų | 87 | 48.6 Ų | 48.6 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.6 | 172.2 | -175.8 | -122 | 0 | 0 | 0 | 112.9 | N100 K104 | N100-D102 PolarHBondContact O-N 3.01Å; N100-D102 VanDerWaalsContact O-N 3.08Å; N100-D102 WeakPolarHBondContact OD1-CB 3.35Å; N100-D102 PolarHBondContact OD1-N 2.96Å; D102-K104 PolarHBondContact O-N 3.4Å; D102-K104 WeakPolarHBondContact OD1-CB 3.22Å |
| 103 | L | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | 62.1 | -4.3 | 178.9 | -57.8 | 178.3 | 0 | 0 | 0 | 116.7 | L22 K30 L31 P59 L75 N100 P101 K105 T106 I107 | L22-L103 HydrophobicContact CD1-CD1 4.08Å; L22-L103 HydrophobicContact CD1-CG 4.39Å; K30-L103 HydrophobicContact CB-CD1 3.92Å; K30-L103 HydrophobicContact CD-CD1 3.89Å; K30-L103 HydrophobicContact CD-CG 4.29Å; L31-L103 HydrophobicContact CD2-CD1 4.49Å; P59-L103 HydrophobicContact CB-CD2 3.76Å; L75-L103 HydrophobicContact CB-CD2 3.87Å; L75-L103 HydrophobicContact CD2-CD1 3.71Å; L75-L103 HydrophobicContact CD2-CD2 3.81Å; L75-L103 HydrophobicContact CD2-CG 4.41Å; L75-L103 HydrophobicContact CG-CD2 4.34Å; N100-L103 PolarHBondContact O-N 3.31Å; P101-L103 PolarHBondContact O-N 2.82Å; L103-K105 PolarHBondContact O-N 3.48Å; L103-T106 CarbonylContact O-C 3.6Å; L103-T106 WeakPolarHBondContact O-CB 3.5Å; L103-T106 PolarHBondContact O-N 3.38Å; L103-T106 VanDerWaalsContact O-N 3.13Å; L103-I107 HydrophobicContact CB-CD1 4Å; L103-I107 HydrophobicContact CB-CG1 4.31Å; L103-I107 WeakPolarHBondContact O-CB 3.39Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 3.17Å | ||
| 104 | K | 98.5 | Very high | 98 | Very high | 129 Ų | 129 | 40.2 Ų | 40.2 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -52.8 | -53.6 | -177.1 | -178.9 | 176.9 | -179.4 | 178.3 | 0 | 113.7 | D102 T106 I107 E108 | D102-K104 PolarHBondContact O-N 3.4Å; D102-K104 WeakPolarHBondContact OD1-CB 3.22Å; K104-T106 VanDerWaalsContact C-N 3.33Å; K104-T106 PolarHBondContact O-N 2.74Å; K104-I107 PolarHBondContact O-N 3.14Å; K104-E108 WeakPolarHBondContact CE-OE1 3.37Å; K104-E108 WeakPolarHBondContact O-CG 3.49Å; K104-E108 PolarHBondContact O-N 3.13Å |
| 105 | K | 98.5 | Very high | 98 | Very high | 91 Ų | 91 | 44.6 Ų | 44.6 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -36.9 | 178.6 | -71.6 | -74.7 | 162.9 | -155.1 | 0 | 112.4 | M93 A97 L103 E108 C109 | M93-K105 HydrophobicContact CE-CB 4.49Å; M93-K105 HydrophobicContact CE-CD 3.94Å; M93-K105 HydrophobicContact SD-CB 4.23Å; M93-K105 HydrophobicContact SD-CD 4.4Å; A97-K105 HydrophobicContact CB-CB 4.29Å; A97-K105 HydrophobicContact CB-CG 4.22Å; A97-K105 WeakPolarHBondContact O-CB 3.29Å; L103-K105 PolarHBondContact O-N 3.48Å; K105-E108 WeakPolarHBondContact CD-OE2 3.32Å; K105-E108 WeakPolarHBondContact CE-OE2 3.26Å; K105-E108 IonicContact NZ-OE1 3.81Å; K105-E108 IonicContact NZ-OE2 2.74Å; K105-E108 PolarHBondContact NZ-OE2 3.07Å; K105-E108 PolarHBondContact O-N 3.36Å; K105-C109 PolarHBondContact O-N 3.25Å |
| 106 | T | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.8 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | L75 F76 I78 L98 L103 K104 C109 A110 | L75-T106 HydrophobicContact CB-CG2 4.13Å; F76-T106 HydrophobicContact CD2-CG2 3.78Å; F76-T106 HydrophobicContact CE2-CG2 4.33Å; I78-T106 HydrophobicContact CD1-CG2 4.42Å; L98-T106 PolarHBondContact O-OG1 3.5Å; L98-T106 VanDerWaalsContact O-OG1 3.14Å; L103-T106 CarbonylContact O-C 3.6Å; L103-T106 WeakPolarHBondContact O-CB 3.5Å; L103-T106 PolarHBondContact O-N 3.38Å; L103-T106 VanDerWaalsContact O-N 3.13Å; K104-T106 VanDerWaalsContact C-N 3.33Å; K104-T106 PolarHBondContact O-N 2.74Å; T106-C109 PolarHBondContact O-N 3.48Å; T106-A110 VanDerWaalsContact O-CB 3.29Å; T106-A110 WeakPolarHBondContact O-CB 3.24Å; T106-A110 PolarHBondContact O-N 3.35Å |
| 107 | I | 98.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -44.1 | 177.1 | -67.6 | 167.3 | 0 | 0 | 0 | 110.9 | K30 L31 L36 L103 K104 C109 A110 K111 | K30-I107 WeakPolarHBondContact O-CD1 3.42Å; L31-I107 HydrophobicContact CD2-CD1 4.05Å; L31-I107 HydrophobicContact CD2-CG1 3.92Å; L36-I107 HydrophobicContact CD1-CB 4.47Å; L36-I107 HydrophobicContact CD1-CG1 4.02Å; L36-I107 HydrophobicContact CD1-CG2 3.98Å; L36-I107 HydrophobicContact CD2-CG2 4.16Å; L36-I107 HydrophobicContact CG-CG2 3.9Å; L103-I107 HydrophobicContact CB-CD1 4Å; L103-I107 HydrophobicContact CB-CG1 4.31Å; L103-I107 WeakPolarHBondContact O-CB 3.39Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 3.17Å; K104-I107 PolarHBondContact O-N 3.14Å; I107-C109 VanDerWaalsContact C-N 3.32Å; I107-C109 PolarHBondContact O-N 3.17Å; I107-A110 PolarHBondContact O-N 3.24Å; I107-K111 HydrophobicContact CG2-CD 4.49Å; I107-K111 WeakPolarHBondContact O-CG 3.04Å; I107-K111 PolarHBondContact O-N 2.78Å |
| 108 | E | 98.7 | Very high | 97.8 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 33% | 0.327 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.4 | -47.8 | 174.6 | -75.2 | 171.5 | -165.8 | 0 | 0 | 111.4 | M93 K104 K105 T112 | M93-E108 HydrophobicContact CE-CB 4.34Å; K104-E108 WeakPolarHBondContact CE-OE1 3.37Å; K104-E108 WeakPolarHBondContact O-CG 3.49Å; K104-E108 PolarHBondContact O-N 3.13Å; K105-E108 WeakPolarHBondContact CD-OE2 3.32Å; K105-E108 WeakPolarHBondContact CE-OE2 3.26Å; K105-E108 IonicContact NZ-OE1 3.81Å; K105-E108 IonicContact NZ-OE2 2.74Å; K105-E108 PolarHBondContact NZ-OE2 3.07Å; K105-E108 PolarHBondContact O-N 3.36Å; E108-T112 PolarHBondContact O-N 3.1Å; E108-T112 PolarHBondContact O-OG1 3Å |
| 109 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70 | -41 | 179 | -173.1 | 0 | 0 | 0 | 0 | 112.5 | I78 C91 M93 L98 K105 T106 I107 K111 T112 I113 | I78-C109 HydrophobicContact CD1-CB 3.97Å; C91-C109 HydrophobicContact CB-CB 3.64Å; C91-C109 WeakPolarHBondContact CB-SG 3.47Å; C91-C109 WeakPolarHBondContact SG-CA 3.32Å; C91-C109 WeakPolarHBondContact SG-CB 3.34Å; C91-C109 CovalentContact SG-SG 2.03Å; C91-C109 PolarHBondContact SG-SG 2.81Å; M93-C109 HydrophobicContact CE-CB 4.13Å; M93-C109 HydrophobicContact SD-CB 3.94Å; L98-C109 HydrophobicContact CD2-CB 4.13Å; K105-C109 PolarHBondContact O-N 3.25Å; T106-C109 PolarHBondContact O-N 3.48Å; I107-C109 VanDerWaalsContact C-N 3.32Å; I107-C109 PolarHBondContact O-N 3.17Å; C109-K111 VanDerWaalsContact C-N 3.29Å; C109-K111 PolarHBondContact O-N 2.8Å; C109-T112 WeakPolarHBondContact O-CA 3.18Å; C109-T112 WeakPolarHBondContact O-CB 3.33Å; C109-T112 PolarHBondContact O-N 3.24Å; C109-I113 WeakPolarHBondContact O-CG1 3.33Å; C109-I113 PolarHBondContact O-N 3.28Å |
| 110 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W47 F76 T106 I107 T112 I113 V114 W123 | W47-A110 HydrophobicContact CH2-CB 4.06Å; W47-A110 HydrophobicContact CZ3-CB 3.82Å; F76-A110 HydrophobicContact CD2-CB 3.86Å; F76-A110 HydrophobicContact CE2-CB 3.94Å; T106-A110 VanDerWaalsContact O-CB 3.29Å; T106-A110 WeakPolarHBondContact O-CB 3.24Å; T106-A110 PolarHBondContact O-N 3.35Å; I107-A110 PolarHBondContact O-N 3.24Å; A110-T112 VanDerWaalsContact C-N 3.33Å; A110-T112 PolarHBondContact O-N 3.31Å; A110-I113 PolarHBondContact O-N 2.82Å; A110-V114 PolarHBondContact O-N 3.13Å; A110-W123 HydrophobicContact CB-CH2 4.48Å |
| 111 | K | 98.8 | Very high | 98 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 172.9 | -72.8 | -175.1 | 177.8 | -177.3 | 0 | 112.2 | G34 G35 L36 F39 I107 C109 I113 K115 | G34-K111 VanDerWaalsContact O-CE 3.25Å; G34-K111 WeakPolarHBondContact O-CE 3.38Å; G34-K111 PolarHBondContact O-NZ 3.15Å; G35-K111 VanDerWaalsContact O-CE 3.26Å; G35-K111 WeakPolarHBondContact O-CE 3.02Å; G35-K111 PolarHBondContact O-NZ 3.12Å; G35-K111 VanDerWaalsContact O-NZ 3.16Å; L36-K111 HydrophobicContact CD2-CD 4.31Å; L36-K111 HydrophobicContact CD2-CG 3.65Å; F39-K111 HydrophobicContact CD1-CG 4.01Å; F39-K111 HydrophobicContact CD2-CD 4.16Å; F39-K111 HydrophobicContact CD2-CG 4.29Å; F39-K111 HydrophobicContact CE1-CB 3.67Å; F39-K111 HydrophobicContact CE1-CD 4.37Å; F39-K111 HydrophobicContact CE1-CG 3.6Å; F39-K111 HydrophobicContact CE2-CB 4.32Å; F39-K111 HydrophobicContact CE2-CD 3.75Å; F39-K111 HydrophobicContact CE2-CG 3.92Å; F39-K111 HydrophobicContact CG-CG 4.33Å; F39-K111 HydrophobicContact CZ-CB 3.54Å; F39-K111 HydrophobicContact CZ-CD 3.86Å; F39-K111 HydrophobicContact CZ-CG 3.54Å; I107-K111 HydrophobicContact CG2-CD 4.49Å; I107-K111 WeakPolarHBondContact O-CG 3.04Å; I107-K111 PolarHBondContact O-N 2.78Å; C109-K111 VanDerWaalsContact C-N 3.29Å; C109-K111 PolarHBondContact O-N 2.8Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-K115 WeakPolarHBondContact O-CG 3.34Å; K111-K115 PolarHBondContact O-N 3.29Å |
| 112 | T | 98.5 | Very high | 98 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 37% | 0.368 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.3 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | W83 E108 C109 A110 | W83-T112 HydrophobicContact CZ3-CG2 4.35Å; E108-T112 PolarHBondContact O-N 3.1Å; E108-T112 PolarHBondContact O-OG1 3Å; C109-T112 WeakPolarHBondContact O-CA 3.18Å; C109-T112 WeakPolarHBondContact O-CB 3.33Å; C109-T112 PolarHBondContact O-N 3.24Å; A110-T112 VanDerWaalsContact C-N 3.33Å; A110-T112 PolarHBondContact O-N 3.31Å |
| 113 | I | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -48.5 | 179.3 | -62.9 | 167.3 | 0 | 0 | 0 | 111.2 | I78 W83 C109 A110 K111 K115 G116 A122 W123 | I78-I113 HydrophobicContact CD1-CD1 4.08Å; I78-I113 HydrophobicContact CG1-CD1 3.93Å; I78-I113 HydrophobicContact CG2-CD1 4.09Å; W83-I113 HydrophobicContact CD2-CD1 3.97Å; W83-I113 HydrophobicContact CD2-CG1 3.56Å; W83-I113 HydrophobicContact CE3-CD1 4.34Å; W83-I113 HydrophobicContact CE3-CG1 3.51Å; W83-I113 HydrophobicContact CG-CD1 4.16Å; W83-I113 HydrophobicContact CG-CG1 4.27Å; W83-I113 HydrophobicContact CH2-CB 4.08Å; W83-I113 HydrophobicContact CH2-CG1 3.75Å; W83-I113 HydrophobicContact CH2-CG2 4.12Å; W83-I113 HydrophobicContact CZ2-CB 4.21Å; W83-I113 HydrophobicContact CZ2-CG1 3.77Å; W83-I113 HydrophobicContact CZ2-CG2 3.87Å; W83-I113 HydrophobicContact CZ3-CB 4.29Å; W83-I113 HydrophobicContact CZ3-CG1 3.62Å; C109-I113 WeakPolarHBondContact O-CG1 3.33Å; C109-I113 PolarHBondContact O-N 3.28Å; A110-I113 PolarHBondContact O-N 2.82Å; K111-I113 VanDerWaalsContact C-N 3.34Å; I113-K115 VanDerWaalsContact C-N 3.33Å; I113-K115 PolarHBondContact O-N 3.38Å; I113-G116 WeakPolarHBondContact O-CA 3.36Å; I113-G116 PolarHBondContact O-N 2.9Å; I113-A122 HydrophobicContact CG2-CB 3.41Å; I113-A122 VanDerWaalsContact CG2-CB 3.41Å; I113-W123 HydrophobicContact CB-CH2 3.62Å; I113-W123 HydrophobicContact CB-CZ2 4.34Å; I113-W123 HydrophobicContact CB-CZ3 4.17Å; I113-W123 HydrophobicContact CD1-CH2 3.77Å; I113-W123 HydrophobicContact CD1-CZ2 3.6Å; I113-W123 HydrophobicContact CG1-CH2 4.28Å; I113-W123 HydrophobicContact CG2-CE3 4.32Å; I113-W123 HydrophobicContact CG2-CH2 3.37Å; I113-W123 HydrophobicContact CG2-CZ2 4.04Å; I113-W123 HydrophobicContact CG2-CZ3 3.53Å |
| 114 | V | 98.3 | Very high | 98 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.6 | -25.9 | -174.2 | 174 | 0 | 0 | 0 | 0 | 113.2 | E40 Y42 W47 A110 G116 G119 M120 W123 | E40-V114 HydrophobicContact CB-CG1 3.75Å; E40-V114 HydrophobicContact CG-CG1 4.02Å; Y42-V114 HydrophobicContact CD2-CG1 3.62Å; Y42-V114 HydrophobicContact CE2-CG1 3.41Å; Y42-V114 VanDerWaalsContact CE2-CG1 3.41Å; W47-V114 HydrophobicContact CH2-CB 4.21Å; W47-V114 HydrophobicContact CH2-CG2 3.34Å; W47-V114 HydrophobicContact CZ2-CB 4.42Å; W47-V114 HydrophobicContact CZ2-CG2 3.85Å; W47-V114 HydrophobicContact CZ3-CG2 4.22Å; A110-V114 PolarHBondContact O-N 3.13Å; V114-G116 PolarHBondContact O-N 3.37Å; V114-G119 WeakPolarHBondContact O-CA 3.04Å; V114-M120 HydrophobicContact CG1-CG 4.4Å; V114-M120 HydrophobicContact CG2-CG 3.8Å; V114-W123 HydrophobicContact CG2-CH2 4.19Å; V114-W123 HydrophobicContact CG2-CZ3 3.65Å |
| 115 | K | 98.3 | Very high | 97.9 | Very high | 139 Ų | 139 | 47.8 Ų | 47.8 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.4 | 168.4 | -72.8 | -178.8 | -174.7 | -166.7 | 0 | 113.6 | F39 E40 K111 I113 | F39-K115 HydrophobicContact CZ-CG 4.38Å; E40-K115 HydrophobicContact CG-CG 4.28Å; E40-K115 WeakPolarHBondContact OE1-CG 3.41Å; K111-K115 WeakPolarHBondContact O-CG 3.34Å; K111-K115 PolarHBondContact O-N 3.29Å; I113-K115 VanDerWaalsContact C-N 3.33Å; I113-K115 PolarHBondContact O-N 3.38Å |
| 116 | G | 96.6 | Very high | 97.9 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -69.7 | 160.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I113 V114 R118 G119 | I113-G116 WeakPolarHBondContact O-CA 3.36Å; I113-G116 PolarHBondContact O-N 2.9Å; V114-G116 PolarHBondContact O-N 3.37Å; G116-R118 PolarHBondContact O-N 3.18Å; G116-G119 PolarHBondContact O-N 2.72Å |
| 117 | K | 95.3 | Very high | 97.9 | Very high | 225 Ų | 225 | 47.3 Ų | 47.3 | 98% | 0.978 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -23.5 | -176.1 | -64.9 | -174.5 | 177.2 | -175.3 | 0 | 115.7 | ||
| 118 | R | 97.1 | Very high | 97.8 | Very high | 133 Ų | 133 | 53.5 Ų | 53.5 | 50% | 0.502 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -10.3 | -179.5 | -67.4 | -165.2 | -68.6 | 138.5 | -1.5 | 113.8 | G116 G121 A122 | G116-R118 PolarHBondContact O-N 3.18Å; R118-G121 PolarHBondContact NH1-O 2.93Å; R118-G121 VanDerWaalsContact O-CA 3.23Å; R118-G121 WeakPolarHBondContact O-CA 3.29Å; R118-G121 PolarHBondContact O-N 3.13Å; R118-A122 VanDerWaalsContact NH1-CA 3.34Å; R118-A122 PolarHBondContact NH1-O 3.3Å; R118-A122 VanDerWaalsContact NH1-O 3.16Å |
| 119 | G | 98 | Very high | 97.8 | Very high | 7 Ų | 7 | 53 Ų | 53 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | 55.3 | -140.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y42 V114 G116 G121 A122 | Y42-G119 WeakPolarHBondContact OH-CA 3.31Å; V114-G119 WeakPolarHBondContact O-CA 3.04Å; G116-G119 PolarHBondContact O-N 2.72Å; G119-G121 PolarHBondContact O-N 2.95Å; G119-A122 VanDerWaalsContact O-CB 3.27Å; G119-A122 WeakPolarHBondContact O-CB 3.09Å; G119-A122 PolarHBondContact O-N 3Å; G119-A122 VanDerWaalsContact O-N 3.08Å |
| 120 | M | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -68 | -14.7 | 171.6 | -68.2 | -170 | 81.8 | 0 | 0 | 113.3 | Y42 N46 W47 L50 V114 A122 W123 W126 | Y42-M120 HydrophobicContact CD1-CB 4.12Å; Y42-M120 HydrophobicContact CD1-CG 3.65Å; Y42-M120 HydrophobicContact CD1-SD 3.34Å; Y42-M120 WeakPolarHBondContact CD1-SD 3.32Å; Y42-M120 HydrophobicContact CD2-CG 3.87Å; Y42-M120 HydrophobicContact CD2-SD 4.14Å; Y42-M120 HydrophobicContact CE1-CB 3.73Å; Y42-M120 HydrophobicContact CE1-CG 3.7Å; Y42-M120 HydrophobicContact CE1-SD 3.98Å; Y42-M120 HydrophobicContact CE2-CG 3.95Å; Y42-M120 HydrophobicContact CG-CG 3.72Å; Y42-M120 HydrophobicContact CG-SD 3.42Å; Y42-M120 PolarHBondContact OH-N 3.4Å; N46-M120 HydrophobicContact CB-CE 4.19Å; N46-M120 HydrophobicContact CB-SD 3.79Å; W47-M120 HydrophobicContact CD2-CE 3.85Å; W47-M120 HydrophobicContact CD2-SD 4.31Å; W47-M120 HydrophobicContact CE3-CE 3.75Å; W47-M120 HydrophobicContact CG-CE 4.32Å; W47-M120 HydrophobicContact CZ2-SD 4.5Å; W47-M120 HydrophobicContact CZ3-CE 4.18Å; L50-M120 HydrophobicContact CB-CE 3.88Å; L50-M120 HydrophobicContact CD2-CE 3.54Å; L50-M120 HydrophobicContact CG-CE 4.32Å; V114-M120 HydrophobicContact CG1-CG 4.4Å; V114-M120 HydrophobicContact CG2-CG 3.8Å; M120-A122 PolarHBondContact O-N 3.18Å; M120-W123 PolarHBondContact O-N 2.05Å; M120-W126 HydrophobicContact CB-CD2 3.47Å; M120-W126 VanDerWaalsContact CB-CD2 3.47Å; M120-W126 HydrophobicContact CB-CE3 3.63Å; M120-W126 HydrophobicContact CB-CG 3.97Å; M120-W126 HydrophobicContact CB-CH2 4.13Å; M120-W126 HydrophobicContact CB-CZ2 3.99Å; M120-W126 HydrophobicContact CB-CZ3 3.96Å; M120-W126 HydrophobicContact CE-CG 4.21Å |
| 121 | G | 98 | Very high | 97.7 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -64.4 | -1.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R118 G119 W123 | R118-G121 PolarHBondContact NH1-O 2.93Å; R118-G121 VanDerWaalsContact O-CA 3.23Å; R118-G121 WeakPolarHBondContact O-CA 3.29Å; R118-G121 PolarHBondContact O-N 3.13Å; G119-G121 PolarHBondContact O-N 2.95Å; G121-W123 PolarHBondContact O-N 3.2Å |
| 122 | A | 97.3 | Very high | 97.5 | Very high | 15 Ų | 15 | 61.5 Ų | 61.5 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -57.6 | -31.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I113 R118 G119 M120 | I113-A122 HydrophobicContact CG2-CB 3.41Å; I113-A122 VanDerWaalsContact CG2-CB 3.41Å; R118-A122 VanDerWaalsContact NH1-CA 3.34Å; R118-A122 PolarHBondContact NH1-O 3.3Å; R118-A122 VanDerWaalsContact NH1-O 3.16Å; G119-A122 VanDerWaalsContact O-CB 3.27Å; G119-A122 WeakPolarHBondContact O-CB 3.09Å; G119-A122 PolarHBondContact O-N 3Å; G119-A122 VanDerWaalsContact O-N 3.08Å; M120-A122 PolarHBondContact O-N 3.18Å |
| 123 | W | 97.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -102.6 | 108.7 | 176.5 | -66.8 | -92.1 | 0 | 0 | 0 | 111 | L50 E54 F76 I78 A110 I113 V114 M120 G121 S125 W126 T127 | L50-W123 HydrophobicContact CD1-CB 3.52Å; L50-W123 HydrophobicContact CD1-CD2 4.16Å; L50-W123 HydrophobicContact CD1-CG 3.57Å; L50-W123 HydrophobicContact CD2-CD2 3.77Å; L50-W123 HydrophobicContact CD2-CE3 3.93Å; L50-W123 HydrophobicContact CD2-CG 4.09Å; L50-W123 HydrophobicContact CD2-CZ2 4.46Å; L50-W123 HydrophobicContact CD2-CZ3 4.35Å; L50-W123 HydrophobicContact CG-CG 4.46Å; E54-W123 VanDerWaalsContact OE1-CD1 3.3Å; F76-W123 HydrophobicContact CB-CZ2 4.18Å; F76-W123 PolarHBondContact O-NE1 3.38Å; I78-W123 HydrophobicContact CG1-CZ2 4.48Å; A110-W123 HydrophobicContact CB-CH2 4.48Å; I113-W123 HydrophobicContact CB-CH2 3.62Å; I113-W123 HydrophobicContact CB-CZ2 4.34Å; I113-W123 HydrophobicContact CB-CZ3 4.17Å; I113-W123 HydrophobicContact CD1-CH2 3.77Å; I113-W123 HydrophobicContact CD1-CZ2 3.6Å; I113-W123 HydrophobicContact CG1-CH2 4.28Å; I113-W123 HydrophobicContact CG2-CE3 4.32Å; I113-W123 HydrophobicContact CG2-CH2 3.37Å; I113-W123 HydrophobicContact CG2-CZ2 4.04Å; I113-W123 HydrophobicContact CG2-CZ3 3.53Å; V114-W123 HydrophobicContact CG2-CH2 4.19Å; V114-W123 HydrophobicContact CG2-CZ3 3.65Å; M120-W123 PolarHBondContact O-N 2.05Å; G121-W123 PolarHBondContact O-N 3.2Å; W123-S125 PolarHBondContact O-N 3.4Å; W123-S125 VanDerWaalsContact O-N 3.16Å; W123-W126 HydrophobicContact CB-CB 4.27Å; W123-W126 PolarHBondContact O-N 2.89Å; W123-W126 VanDerWaalsContact O-N 3.11Å; W123-T127 PolarHBondContact O-N 2.95Å |
| 124 | P | 96.2 | Very high | 97.3 | Very high | 98 Ų | 98 | 68.1 Ų | 68.1 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.7 | -29.5 | 177.5 | -26.3 | 35.8 | 0 | 0 | 0 | 113.7 | W126 T127 L128 | P124-W126 VanDerWaalsContact C-N 3.34Å; P124-W126 PolarHBondContact O-N 2.85Å; P124-T127 PolarHBondContact O-N 3.5Å; P124-L128 WeakPolarHBondContact O-CB 3.47Å; P124-L128 PolarHBondContact O-N 2.93Å |
| 125 | S | 96.7 | Very high | 97.2 | Very high | 22 Ų | 22 | 70.3 Ų | 70.3 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 177.7 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | E54 W123 L128 N129 | E54-S125 WeakPolarHBondContact OE1-CB 3.39Å; E54-S125 PolarHBondContact OE1-OG 3.28Å; W123-S125 PolarHBondContact O-N 3.4Å; W123-S125 VanDerWaalsContact O-N 3.16Å; S125-L128 PolarHBondContact O-N 3.2Å; S125-N129 WeakPolarHBondContact O-CB 3.47Å; S125-N129 PolarHBondContact O-N 2.92Å; S125-N129 PolarHBondContact O-ND2 3.19Å |
| 126 | W | 98.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 64.9 Ų | 64.9 | 6% | 0.057 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69 | -46.1 | 177.6 | 171 | 87.7 | 0 | 0 | 0 | 111.1 | Y42 N46 L50 M120 W123 P124 L128 N129 C130 Q131 | Y42-W126 HydrophobicContact CD1-CH2 4.43Å; Y42-W126 AromaticContact CD1-CZ2 3.89Å; Y42-W126 HydrophobicContact CD1-CZ2 3.89Å; Y42-W126 AromaticContact CE1-CH2 3.65Å; Y42-W126 HydrophobicContact CE1-CH2 3.65Å; Y42-W126 AromaticContact CE1-CZ2 3.56Å; Y42-W126 HydrophobicContact CE1-CZ2 3.56Å; N46-W126 PolarHBondContact OD1-NE1 3.04Å; L50-W126 HydrophobicContact CB-CB 4.49Å; L50-W126 HydrophobicContact CD1-CB 3.85Å; M120-W126 HydrophobicContact CB-CD2 3.47Å; M120-W126 VanDerWaalsContact CB-CD2 3.47Å; M120-W126 HydrophobicContact CB-CE3 3.63Å; M120-W126 HydrophobicContact CB-CG 3.97Å; M120-W126 HydrophobicContact CB-CH2 4.13Å; M120-W126 HydrophobicContact CB-CZ2 3.99Å; M120-W126 HydrophobicContact CB-CZ3 3.96Å; M120-W126 HydrophobicContact CE-CG 4.21Å; W123-W126 HydrophobicContact CB-CB 4.27Å; W123-W126 PolarHBondContact O-N 2.89Å; W123-W126 VanDerWaalsContact O-N 3.11Å; P124-W126 VanDerWaalsContact C-N 3.34Å; P124-W126 PolarHBondContact O-N 2.85Å; W126-L128 PolarHBondContact O-N 2.91Å; W126-N129 PolarHBondContact O-N 2.88Å; W126-C130 HydrophobicContact CB-CB 4.47Å; W126-C130 HydrophobicContact CG-CB 3.96Å; W126-C130 WeakPolarHBondContact O-CA 3.33Å; W126-C130 WeakPolarHBondContact O-CB 3.36Å; W126-C130 PolarHBondContact O-N 3.34Å; W126-Q131 HydrophobicContact CD2-CB 4.34Å; W126-Q131 HydrophobicContact CE3-CB 4.2Å; W126-Q131 HydrophobicContact CH2-CB 3.87Å; W126-Q131 HydrophobicContact CH2-CG 3.58Å; W126-Q131 HydrophobicContact CZ2-CB 4.01Å; W126-Q131 HydrophobicContact CZ2-CG 4.05Å; W126-Q131 HydrophobicContact CZ3-CB 3.97Å; W126-Q131 HydrophobicContact CZ3-CG 3.9Å; W126-Q131 PolarHBondContact O-N 3.02Å |
| 127 | T | 98 | Very high | 97.2 | Very high | 67 Ų | 67 | 66.4 Ų | 66.4 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.9 | -39.4 | 174.9 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | W123 P124 Q131 | W123-T127 PolarHBondContact O-N 2.95Å; P124-T127 PolarHBondContact O-N 3.5Å; T127-Q131 PolarHBondContact OG1-OE1 3.36Å |
| 128 | L | 98 | Very high | 97.3 | Very high | 140 Ų | 140 | 62.4 Ų | 62.4 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -75.9 | -37.5 | -178 | -178.1 | 62.9 | 0 | 0 | 0 | 113.7 | P124 S125 W126 | P124-L128 WeakPolarHBondContact O-CB 3.47Å; P124-L128 PolarHBondContact O-N 2.93Å; S125-L128 PolarHBondContact O-N 3.2Å; W126-L128 PolarHBondContact O-N 2.91Å |
| 129 | N | 98.2 | Very high | 97.4 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -116.4 | -22.3 | -165.8 | -60 | -82 | 0 | 0 | 0 | 114.9 | F53 S125 W126 | F53-N129 HydrophobicContact CD1-CB 4Å; F53-N129 HydrophobicContact CD2-CB 3.63Å; F53-N129 HydrophobicContact CE1-CB 3.83Å; F53-N129 WeakPolarHBondContact CE1-OD1 3.5Å; F53-N129 HydrophobicContact CE2-CB 3.45Å; F53-N129 VanDerWaalsContact CE2-CB 3.45Å; F53-N129 HydrophobicContact CG-CB 3.92Å; F53-N129 HydrophobicContact CZ-CB 3.56Å; S125-N129 WeakPolarHBondContact O-CB 3.47Å; S125-N129 PolarHBondContact O-N 2.92Å; S125-N129 PolarHBondContact O-ND2 3.19Å; W126-N129 PolarHBondContact O-N 2.88Å |
| 130 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -39 | -169 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | C49 W126 H132 S133 L136 | C49-C130 VanDerWaalsContact C-SG 3.51Å; C49-C130 HydrophobicContact CB-CB 3.78Å; C49-C130 WeakPolarHBondContact CB-SG 3.5Å; C49-C130 VanDerWaalsContact SG-CA 3.51Å; C49-C130 WeakPolarHBondContact SG-CB 3.41Å; C49-C130 CovalentContact SG-SG 2.03Å; C49-C130 PolarHBondContact SG-SG 3.01Å; W126-C130 HydrophobicContact CB-CB 4.47Å; W126-C130 HydrophobicContact CG-CB 3.96Å; W126-C130 WeakPolarHBondContact O-CA 3.33Å; W126-C130 WeakPolarHBondContact O-CB 3.36Å; W126-C130 PolarHBondContact O-N 3.34Å; C130-H132 PolarHBondContact O-N 2.98Å; C130-S133 WeakPolarHBondContact O-CB 3.19Å; C130-S133 PolarHBondContact O-N 3.08Å; C130-S133 VanDerWaalsContact O-N 3.09Å; C130-L136 HydrophobicContact CB-CD1 4.36Å |
| 131 | Q | 97.6 | Very high | 97.4 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 123.2 | -178.8 | -169.9 | 179.6 | -0.6 | 0 | 0 | 110.1 | W126 T127 S133 | W126-Q131 HydrophobicContact CD2-CB 4.34Å; W126-Q131 HydrophobicContact CE3-CB 4.2Å; W126-Q131 HydrophobicContact CH2-CB 3.87Å; W126-Q131 HydrophobicContact CH2-CG 3.58Å; W126-Q131 HydrophobicContact CZ2-CB 4.01Å; W126-Q131 HydrophobicContact CZ2-CG 4.05Å; W126-Q131 HydrophobicContact CZ3-CB 3.97Å; W126-Q131 HydrophobicContact CZ3-CG 3.9Å; W126-Q131 PolarHBondContact O-N 3.02Å; T127-Q131 PolarHBondContact OG1-OE1 3.36Å; Q131-S133 PolarHBondContact O-N 2.98Å |
| 132 | H | 95.1 | Very high | 97.4 | Very high | 165 Ų | 165 | 66.7 Ų | 66.7 | 76% | 0.764 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 23.1 | -177.1 | -47.5 | -56.8 | 0 | 0 | 0 | 115.1 | C130 D134 | C130-H132 PolarHBondContact O-N 2.98Å; H132-D134 PolarHBondContact O-N 3.44Å |
| 133 | S | 96 | Very high | 97.4 | Very high | 35 Ų | 35 | 67.1 Ų | 67.1 | 25% | 0.245 | 38% | 0.38 | C | S | . | . | trans | -69.2 | 121.9 | 173.3 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | C130 Q131 T135 L136 | C130-S133 WeakPolarHBondContact O-CB 3.19Å; C130-S133 PolarHBondContact O-N 3.08Å; C130-S133 VanDerWaalsContact O-N 3.09Å; Q131-S133 PolarHBondContact O-N 2.98Å; S133-T135 PolarHBondContact O-N 3.33Å; S133-T135 PolarHBondContact OG-N 2.79Å; S133-T135 PolarHBondContact OG-OG1 3.17Å; S133-L136 WeakPolarHBondContact O-CB 3.4Å; S133-L136 PolarHBondContact O-N 2.91Å | ||
| 134 | D | 96.1 | Very high | 97.4 | Very high | 169 Ų | 169 | 75.6 Ų | 75.6 | 90% | 0.904 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -8.2 | 173.1 | -63.6 | -32.5 | 0 | 0 | 0 | 113.4 | H132 | H132-D134 PolarHBondContact O-N 3.44Š|
| 135 | T | 96 | Very high | 97.2 | Very high | 51 Ų | 51 | 75.1 Ų | 75.1 | 31% | 0.313 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 8.7 | -174.3 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | S133 A137 R138 | S133-T135 PolarHBondContact O-N 3.33Å; S133-T135 PolarHBondContact OG-N 2.79Å; S133-T135 PolarHBondContact OG-OG1 3.17Å; T135-A137 VanDerWaalsContact C-N 3.25Å; T135-A137 PolarHBondContact O-N 2.94Å; T135-R138 VanDerWaalsContact CB-NH2 3.33Å; T135-R138 WeakPolarHBondContact O-CB 3.49Å; T135-R138 WeakPolarHBondContact O-CG 3.15Å; T135-R138 PolarHBondContact O-N 2.91Å; T135-R138 VanDerWaalsContact O-N 3.08Å; T135-R138 PolarHBondContact OG1-NH1 2.91Å |
| 136 | L | 96.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 77.8 Ų | 77.8 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -58.5 | -36.7 | -171.7 | -156.1 | 74 | 0 | 0 | 0 | 112.6 | E45 N46 C49 C130 S133 R138 W139 | E45-L136 HydrophobicContact CB-CB 4.4Å; E45-L136 HydrophobicContact CB-CD1 4.45Å; E45-L136 HydrophobicContact CB-CD2 3.84Å; E45-L136 HydrophobicContact CB-CG 3.54Å; E45-L136 WeakPolarHBondContact CB-O 3.26Å; E45-L136 HydrophobicContact CG-CG 4.5Å; E45-L136 WeakPolarHBondContact CG-O 2.82Å; N46-L136 HydrophobicContact CB-CD2 4.46Å; N46-L136 VanDerWaalsContact ND2-CD2 3.3Å; N46-L136 WeakPolarHBondContact ND2-CD2 2.86Å; C49-L136 HydrophobicContact CB-CD1 3.95Å; C130-L136 HydrophobicContact CB-CD1 4.36Å; S133-L136 WeakPolarHBondContact O-CB 3.4Å; S133-L136 PolarHBondContact O-N 2.91Å; L136-R138 PolarHBondContact O-N 2.87Å; L136-W139 WeakPolarHBondContact O-CB 3.25Å; L136-W139 PolarHBondContact O-N 2.84Å; L136-W139 VanDerWaalsContact O-N 3.07Å |
| 137 | A | 97.6 | Very high | 97.2 | Very high | 68 Ų | 68 | 81.1 Ų | 81.1 | 56% | 0.562 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -51.8 | -32.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T135 W139 L140 | T135-A137 VanDerWaalsContact C-N 3.25Å; T135-A137 PolarHBondContact O-N 2.94Å; A137-W139 PolarHBondContact O-N 2.81Å; A137-L140 PolarHBondContact O-N 2.94Å; A137-L140 VanDerWaalsContact O-N 3.09Å |
| 138 | R | 97.7 | Very high | 97.1 | Very high | 141 Ų | 141 | 81.9 Ų | 81.9 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -60.1 | -23.2 | -178.3 | 84.7 | 178.4 | 42.7 | 154.2 | -9.2 | 113.4 | T135 L136 L140 D141 | T135-R138 VanDerWaalsContact CB-NH2 3.33Å; T135-R138 WeakPolarHBondContact O-CB 3.49Å; T135-R138 WeakPolarHBondContact O-CG 3.15Å; T135-R138 PolarHBondContact O-N 2.91Å; T135-R138 VanDerWaalsContact O-N 3.08Å; T135-R138 PolarHBondContact OG1-NH1 2.91Å; L136-R138 PolarHBondContact O-N 2.87Å; R138-L140 PolarHBondContact O-N 3.02Å; R138-L140 VanDerWaalsContact O-N 3.16Å; R138-D141 WeakPolarHBondContact CA-OD2 3.35Å; R138-D141 PolarHBondContact O-N 2.95Å |
| 139 | W | 98.3 | Very high | 97.1 | Very high | 35 Ų | 35 | 78.5 Ų | 78.5 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -63.9 | -18.2 | -179.8 | -73 | 114.2 | 0 | 0 | 0 | 112.9 | R24 E45 V48 C49 Y52 F53 F57 L136 A137 | R24-W139 WeakPolarHBondContact CD-O 3.3Å; R24-W139 HydrophobicContact CG-CE3 4.44Å; R24-W139 VanDerWaalsContact NH1-C 3.28Å; R24-W139 PolarHBondContact NH1-O 2.9Å; E45-W139 HydrophobicContact CB-CB 4.18Å; V48-W139 HydrophobicContact CB-CB 4.09Å; V48-W139 HydrophobicContact CG1-CB 3.94Å; V48-W139 HydrophobicContact CG1-CD2 4.27Å; V48-W139 HydrophobicContact CG1-CE3 3.83Å; V48-W139 HydrophobicContact CG1-CG 4.34Å; C49-W139 HydrophobicContact CB-CD2 4.31Å; C49-W139 HydrophobicContact CB-CG 4.28Å; C49-W139 HydrophobicContact CB-CZ2 4.31Å; C49-W139 VanDerWaalsContact CB-NE1 3.3Å; C49-W139 PolarHBondContact SG-NE1 3.17Å; Y52-W139 AromaticContact CD1-CH2 3.46Å; Y52-W139 HydrophobicContact CD1-CH2 3.46Å; Y52-W139 VanDerWaalsContact CD1-CH2 3.46Å; Y52-W139 HydrophobicContact CD1-CZ2 4.23Å; Y52-W139 HydrophobicContact CD1-CZ3 4.31Å; Y52-W139 HydrophobicContact CD2-CH2 4.11Å; Y52-W139 HydrophobicContact CD2-CZ3 4.18Å; Y52-W139 HydrophobicContact CE1-CH2 4.15Å; Y52-W139 AromaticContact CG-CH2 3.41Å; Y52-W139 HydrophobicContact CG-CH2 3.41Å; Y52-W139 VanDerWaalsContact CG-CH2 3.41Å; Y52-W139 HydrophobicContact CG-CZ2 4.44Å; Y52-W139 AromaticContact CG-CZ3 3.81Å; Y52-W139 HydrophobicContact CG-CZ3 3.81Å; F53-W139 HydrophobicContact CE2-CZ2 4.13Å; F57-W139 HydrophobicContact CE2-CZ3 4.4Å; F57-W139 HydrophobicContact CZ-CE3 4.23Å; F57-W139 AromaticContact CZ-CZ3 3.9Å; F57-W139 HydrophobicContact CZ-CZ3 3.9Å; L136-W139 WeakPolarHBondContact O-CB 3.25Å; L136-W139 PolarHBondContact O-N 2.84Å; L136-W139 VanDerWaalsContact O-N 3.07Å; A137-W139 PolarHBondContact O-N 2.81Å |
| 140 | L | 98.6 | Very high | 97 | Very high | 31 Ų | 31 | 79.6 Ų | 79.6 | 16% | 0.162 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -112.4 | 2.3 | 176.5 | -62.2 | -178.6 | 0 | 0 | 0 | 114.3 | A28 L44 E45 V48 A137 R138 G142 C143 L145 | A28-L140 HydrophobicContact CB-CD2 3.46Å; A28-L140 VanDerWaalsContact CB-CD2 3.46Å; L44-L140 HydrophobicContact CB-CD1 4.2Å; L44-L140 HydrophobicContact CD2-CD1 3.94Å; L44-L140 HydrophobicContact CD2-CD2 3.86Å; L44-L140 HydrophobicContact CG-CD1 4.28Å; L44-L140 HydrophobicContact CG-CD2 4.19Å; E45-L140 HydrophobicContact CG-CD1 3.81Å; E45-L140 HydrophobicContact CG-CG 3.88Å; E45-L140 WeakPolarHBondContact OE1-CD1 3.44Å; V48-L140 HydrophobicContact CG2-CD2 4.22Å; A137-L140 PolarHBondContact O-N 2.94Å; A137-L140 VanDerWaalsContact O-N 3.09Å; R138-L140 PolarHBondContact O-N 3.02Å; R138-L140 VanDerWaalsContact O-N 3.16Å; L140-G142 PolarHBondContact O-N 3.21Å; L140-C143 WeakPolarHBondContact O-CB 3.33Å; L140-C143 PolarHBondContact O-N 3.23Å; L140-L145 HydrophobicContact CD1-CD1 4.4Å; L140-L145 HydrophobicContact CD2-CD2 4.45Å |
| 141 | D | 98.1 | Very high | 96.9 | Very high | 101 Ų | 101 | 84.9 Ų | 84.9 | 54% | 0.54 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 125.7 | 178.5 | -75.9 | -11.3 | 0 | 0 | 0 | 111 | R24 R138 C143 | R24-D141 PolarHBondContact NH1-O 3.12Å; R24-D141 PolarHBondContact NH2-O 3.01Å; R138-D141 WeakPolarHBondContact CA-OD2 3.35Å; R138-D141 PolarHBondContact O-N 2.95Å; D141-C143 PolarHBondContact O-N 3.19Å |
| 142 | G | 98.1 | Very high | 96.9 | Very high | 82 Ų | 82 | 86.1 Ų | 86.1 | 85% | 0.845 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 5.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L140 | L140-G142 PolarHBondContact O-N 3.21Š|
| 143 | C | 98.3 | Very high | 97 | Very high | 24 Ų | 24 | 80.1 Ų | 80.1 | 16% | 0.162 | 45% | 0.448 | C | S | . | . | trans | -80.6 | 139.6 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | R24 C25 L140 D141 L145 | R24-C143 PolarHBondContact NH1-SG 3.24Å; C25-C143 WeakPolarHBondContact CA-SG 3.33Å; C25-C143 HydrophobicContact CB-CB 3.71Å; C25-C143 WeakPolarHBondContact CB-SG 3.33Å; C25-C143 WeakPolarHBondContact SG-CA 3.45Å; C25-C143 WeakPolarHBondContact SG-CB 3.25Å; C25-C143 CovalentContact SG-SG 2.05Å; C25-C143 PolarHBondContact SG-SG 3.3Å; L140-C143 WeakPolarHBondContact O-CB 3.33Å; L140-C143 PolarHBondContact O-N 3.23Å; D141-C143 PolarHBondContact O-N 3.19Å; C143-L145 HydrophobicContact CB-CD2 4.38Å | ||
| 144 | K | 96.5 | Very high | 97.1 | Very high | 191 Ų | 191 | 83.8 Ų | 83.8 | 83% | 0.83 | 47% | 0.465 | S | S | * | . | trans | -104.9 | 112.2 | 166.4 | -61.5 | -177.7 | -177.9 | -178.2 | 0 | 107.4 | ||||
| 145 | L | 93.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 76.1 Ų | 76.1 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | trans | -85.9 | 0 | 179.6 | -56.5 | 178.9 | 0 | 0 | 0 | 109.7 | A28 K29 H32 L44 L140 C143 | A28-L145 HydrophobicContact CB-CD2 3.85Å; K29-L145 HydrophobicContact CB-CD2 4.48Å; H32-L145 HydrophobicContact CB-CD2 4.41Å; L44-L145 HydrophobicContact CD2-CD1 3.46Å; L44-L145 VanDerWaalsContact CD2-CD1 3.46Å; L44-L145 HydrophobicContact CD2-CD2 3.97Å; L44-L145 HydrophobicContact CD2-CG 4.37Å; L140-L145 HydrophobicContact CD1-CD1 4.4Å; L140-L145 HydrophobicContact CD2-CD2 4.45Å; C143-L145 HydrophobicContact CB-CD2 4.38Å |
Retrieved 145 of 145 residues in 182.2 ms
(Link to these results)