| 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 | 87.1 | Confident | 95.6 | Very high | 139 Ų | 139 | 83.7 Ų | 83.7 | 69% | 0.685 | 43% | 0.432 | S | S | * | . | 0 | 163.8 | 0 | -65.9 | -172.2 | 81.6 | 0 | 0 | 106.8 | H52 V53 L55 | M1-H52 PolarHBondContact O-CE1 3.49Å; M1-H52 PolarHBondContact O-NE2 3.14Å; M1-V53 PolarHBondContact N-O 2.98Å; M1-L55 VanDerWaalsContact N-N 3.11Å | |||
| 2 | I | 92.9 | Very high | 95.7 | Very high | 122 Ų | 122 | 83.1 Ų | 83.1 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -53 | 148.8 | -176.2 | -56.1 | 171.5 | 0 | 0 | 0 | 111.5 | I56 | I2-I56 HydrophobicContact CG1-CB 4.18Å; I2-I56 HydrophobicContact CG1-CG1 4.1Å; I2-I56 HydrophobicContact CG1-CG2 4.35Å |
| 3 | I | 95.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 81.9 Ų | 81.9 | 7% | 0.067 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 141.1 | 178.2 | -171.5 | 167.6 | 0 | 0 | 0 | 112.3 | I5 I14 W18 L49 H52 | I3-I5 PolarHBondContact O-N 3.01Å; I3-I14 HydrophobicContact CD1-CG2 3.79Å; I3-I14 HydrophobicContact CG1-CG2 4.39Å; I3-W18 HydrophobicContact CB-CB 4.28Å; I3-W18 HydrophobicContact CB-CG 4.34Å; I3-W18 HydrophobicContact CD1-CB 3.81Å; I3-W18 HydrophobicContact CD1-CD2 4.26Å; I3-W18 HydrophobicContact CD1-CE3 3.95Å; I3-W18 HydrophobicContact CD1-CG 4.25Å; I3-W18 HydrophobicContact CG2-CB 3.75Å; I3-W18 HydrophobicContact CG2-CG 4.15Å; I3-L49 HydrophobicContact CD1-CD2 3.31Å; I3-L49 HydrophobicContact CD1-CG 4.37Å; I3-H52 VanDerWaalsContact CA-NE2 3.29Å; I3-H52 WeakPolarHBondContact CA-NE2 3.38Å; I3-H52 PolarHBondContact N-NE2 3.48Å; I3-H52 VanDerWaalsContact N-NE2 3.18Å |
| 4 | P | 96.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 76.1 Ų | 76.1 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 135.8 | 175.1 | -24.6 | 35.1 | 0 | 0 | 0 | 112.6 | R6 F8 G15 | P4-R6 VanDerWaalsContact C-N 3.26Å; P4-R6 PolarHBondContact O-N 3.33Å; P4-F8 HydrophobicContact CB-CE1 3.78Å; P4-F8 HydrophobicContact CB-CZ 3.73Å; P4-F8 HydrophobicContact CG-CE1 3.96Å; P4-F8 HydrophobicContact CG-CE2 4Å; P4-F8 HydrophobicContact CG-CZ 3.36Å; P4-G15 PolarHBondContact O-N 2.66Å |
| 5 | I | 96.6 | Very high | 95.8 | Very high | 130 Ų | 130 | 72.9 Ų | 72.9 | 67% | 0.667 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -59 | -40.5 | 179.3 | -59.5 | 170.5 | 0 | 0 | 0 | 110.9 | I3 I14 G15 | I3-I5 PolarHBondContact O-N 3.01Å; I5-I14 PolarHBondContact O-N 2.64Å; I5-G15 PolarHBondContact O-N 2.1Å; I5-G15 VanDerWaalsContact O-N 3.1Å |
| 6 | R | 97.4 | Very high | 95.8 | Very high | 161 Ų | 161 | 75.3 Ų | 75.3 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | B | Isolated β-bridge | trans | -126.8 | 151.7 | -179.7 | -64.3 | -173.9 | 177.1 | -161.9 | 2.9 | 111.2 | P4 F8 G11 K12 | P4-R6 VanDerWaalsContact C-N 3.26Å; P4-R6 PolarHBondContact O-N 3.33Å; R6-F8 PolarHBondContact O-N 3.07Å; R6-G11 WeakPolarHBondContact CD-O 3.39Å; R6-K12 CarbonylContact C-O 3.49Å; R6-K12 WeakPolarHBondContact CA-O 3.45Å |
| 7 | C | 97.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | trans | -65.2 | 130.9 | 170.9 | 171.6 | 0 | 0 | 0 | 0 | 111 | T9 C10 G11 K12 I14 C44 C45 M48 | C7-T9 PolarHBondContact O-N 3.44Å; C7-T9 PolarHBondContact SG-N 2.89Å; C7-T9 VanDerWaalsContact SG-N 3.45Å; C7-C10 WeakPolarHBondContact CB-SG 3.44Å; C7-C10 PolarHBondContact SG-N 2.75Å; C7-C10 PolarHBondContact SG-SG 3.11Å; C7-G11 WeakPolarHBondContact O-CA 3.33Å; C7-G11 PolarHBondContact O-N 3.48Å; C7-K12 PolarHBondContact N-O 3.19Å; C7-I14 HydrophobicContact CB-CG1 3.95Å; C7-C44 VanDerWaalsContact SG-C 3.59Å; C7-C44 PolarHBondContact SG-O 3.08Å; C7-C45 HydrophobicContact CB-CB 4.2Å; C7-M48 HydrophobicContact CB-CG 3.93Å; C7-M48 HydrophobicContact CB-SD 4.4Å | ||
| 8 | F | 97.2 | Very high | 95.9 | Very high | 156 Ų | 156 | 70.4 Ų | 70.4 | 68% | 0.684 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.6 | -178.3 | -57.8 | -41.1 | 0 | 0 | 0 | 115.3 | P4 R6 M48 | P4-F8 HydrophobicContact CB-CE1 3.78Å; P4-F8 HydrophobicContact CB-CZ 3.73Å; P4-F8 HydrophobicContact CG-CE1 3.96Å; P4-F8 HydrophobicContact CG-CE2 4Å; P4-F8 HydrophobicContact CG-CZ 3.36Å; R6-F8 PolarHBondContact O-N 3.07Å; F8-M48 HydrophobicContact CB-SD 4.3Å; F8-M48 HydrophobicContact CD2-CE 3.75Å; F8-M48 HydrophobicContact CD2-SD 3.57Å; F8-M48 VanDerWaalsContact CD2-SD 3.57Å; F8-M48 HydrophobicContact CE2-CE 4.32Å; F8-M48 HydrophobicContact CE2-SD 4.06Å; F8-M48 HydrophobicContact CG-SD 3.96Å |
| 9 | T | 97.7 | Very high | 95.9 | Very high | 88 Ų | 88 | 75.5 Ų | 75.5 | 54% | 0.54 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -51.4 | 179.7 | -55 | 0 | 0 | 0 | 0 | 112.3 | C7 C44 R47 | C7-T9 PolarHBondContact O-N 3.44Å; C7-T9 PolarHBondContact SG-N 2.89Å; C7-T9 VanDerWaalsContact SG-N 3.45Å; T9-C44 HydrophobicContact CG2-CB 4.12Å; T9-R47 PolarHBondContact OG1-NH2 3.48Å |
| 10 | C | 97.6 | Very high | 95.9 | Very high | 37 Ų | 37 | 74.9 Ų | 74.9 | 25% | 0.25 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -10.5 | -169.9 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | C7 K12 C45 | C7-C10 WeakPolarHBondContact CB-SG 3.44Å; C7-C10 PolarHBondContact SG-N 2.75Å; C7-C10 PolarHBondContact SG-SG 3.11Å; C10-K12 PolarHBondContact O-N 3Å; C10-K12 WeakPolarHBondContact SG-CB 3.29Å; C10-C45 WeakPolarHBondContact CB-SG 3.39Å; C10-C45 WeakPolarHBondContact SG-CB 3.29Å; C10-C45 CovalentContact SG-SG 2.1Å; C10-C45 PolarHBondContact SG-SG 3.42Å |
| 11 | G | 96.5 | Very high | 96 | Very high | 36 Ų | 36 | 72 Ų | 72 | 37% | 0.371 | 38% | 0.377 | S | S | . | . | trans | 66.5 | -3.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R6 C7 | R6-G11 WeakPolarHBondContact CD-O 3.39Å; C7-G11 WeakPolarHBondContact O-CA 3.33Å; C7-G11 PolarHBondContact O-N 3.48Å | ||
| 12 | K | 96.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 68.3 Ų | 68.3 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | trans | -59.5 | 141.1 | 176.9 | -170.2 | 176.3 | -179.2 | 174.5 | 0 | 109.7 | R6 C7 C10 I14 G39 L40 | R6-K12 CarbonylContact C-O 3.49Å; R6-K12 WeakPolarHBondContact CA-O 3.45Å; C7-K12 PolarHBondContact N-O 3.19Å; C10-K12 PolarHBondContact O-N 3Å; C10-K12 WeakPolarHBondContact SG-CB 3.29Å; K12-I14 PolarHBondContact O-N 2.83Å; K12-G39 PolarHBondContact NZ-O 2.99Å; K12-G39 VanDerWaalsContact NZ-O 3.14Å; K12-L40 HydrophobicContact CD-CD2 4.48Å | ||
| 13 | V | 96.9 | Very high | 96.6 | Very high | 68 Ų | 68 | 64.1 Ų | 64.1 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 127.9 | 173.4 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | N16 | V13-N16 WeakPolarHBondContact CG1-OD1 3.32Å |
| 14 | I | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | trans | -125.9 | -29.6 | -178.2 | -64.1 | -62.8 | 0 | 0 | 0 | 112 | I3 I5 C7 K12 N16 K17 L40 C45 M48 L49 | I3-I14 HydrophobicContact CD1-CG2 3.79Å; I3-I14 HydrophobicContact CG1-CG2 4.39Å; I5-I14 PolarHBondContact O-N 2.64Å; C7-I14 HydrophobicContact CB-CG1 3.95Å; K12-I14 PolarHBondContact O-N 2.83Å; I14-N16 PolarHBondContact O-N 2.89Å; I14-K17 WeakPolarHBondContact O-CB 3.48Å; I14-K17 PolarHBondContact O-N 3.44Å; I14-L40 HydrophobicContact CD1-CD1 4.49Å; I14-L40 HydrophobicContact CD1-CD2 3.64Å; I14-C45 HydrophobicContact CD1-CB 3.93Å; I14-M48 HydrophobicContact CG2-CB 4.04Å; I14-L49 HydrophobicContact CG2-CD2 4.24Å; I14-L49 HydrophobicContact CG2-CG 4.23Å | ||
| 15 | G | 95.7 | Very high | 96.7 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -56.5 | -27.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P4 I5 K17 | P4-G15 PolarHBondContact O-N 2.66Å; I5-G15 PolarHBondContact O-N 2.1Å; I5-G15 VanDerWaalsContact O-N 3.1Å; G15-K17 VanDerWaalsContact C-N 3.25Å; G15-K17 PolarHBondContact O-N 3.29Å |
| 16 | N | 96.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 68 Ų | 68 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -79.5 | 3.4 | 178.2 | 74.5 | -56.3 | 0 | 0 | 0 | 114.9 | V13 I14 | V13-N16 WeakPolarHBondContact CG1-OD1 3.32Å; I14-N16 PolarHBondContact O-N 2.89Å |
| 17 | K | 96.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 63.1 Ų | 63.1 | 12% | 0.122 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -113.2 | -7.5 | -174.2 | -60.7 | -170.4 | 174.6 | -155.4 | 0 | 114.2 | I14 G15 Y21 L38 L40 L49 | I14-K17 WeakPolarHBondContact O-CB 3.48Å; I14-K17 PolarHBondContact O-N 3.44Å; G15-K17 VanDerWaalsContact C-N 3.25Å; G15-K17 PolarHBondContact O-N 3.29Å; K17-Y21 WeakPolarHBondContact O-CB 3.49Å; K17-Y21 PolarHBondContact O-N 3.29Å; K17-L38 HydrophobicContact CB-CD1 4.48Å; K17-L38 HydrophobicContact CD-CB 4.47Å; K17-L38 PolarHBondContact NZ-O 2.92Å; K17-L40 HydrophobicContact CD-CD1 4.38Å; K17-L40 HydrophobicContact CD-CD2 4.03Å; K17-L40 HydrophobicContact CD-CG 4.32Å; K17-L49 HydrophobicContact CB-CD1 4.44Å |
| 18 | W | 96.3 | Very high | 96.6 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 13% | 0.129 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.4 | -50.6 | -174.7 | -179.4 | -120.6 | 0 | 0 | 0 | 112.5 | I3 S20 Y21 L22 L49 H52 D54 | I3-W18 HydrophobicContact CB-CB 4.28Å; I3-W18 HydrophobicContact CB-CG 4.34Å; I3-W18 HydrophobicContact CD1-CB 3.81Å; I3-W18 HydrophobicContact CD1-CD2 4.26Å; I3-W18 HydrophobicContact CD1-CE3 3.95Å; I3-W18 HydrophobicContact CD1-CG 4.25Å; I3-W18 HydrophobicContact CG2-CB 3.75Å; I3-W18 HydrophobicContact CG2-CG 4.15Å; W18-S20 VanDerWaalsContact C-N 3.34Å; W18-S20 PolarHBondContact O-N 3.47Å; W18-Y21 HydrophobicContact CE3-CD1 4.01Å; W18-Y21 AromaticContact CZ3-CD1 3.75Å; W18-Y21 HydrophobicContact CZ3-CD1 3.75Å; W18-Y21 HydrophobicContact CZ3-CE1 4.08Å; W18-Y21 WeakPolarHBondContact O-CB 3.45Å; W18-Y21 PolarHBondContact O-N 3.47Å; W18-Y21 VanDerWaalsContact O-N 3.13Å; W18-L22 HydrophobicContact CD2-CD1 4.4Å; W18-L22 HydrophobicContact CD2-CG 4.4Å; W18-L22 HydrophobicContact CH2-CD2 4.17Å; W18-L22 HydrophobicContact CZ2-CD1 4.05Å; W18-L22 HydrophobicContact CZ2-CD2 3.99Å; W18-L22 HydrophobicContact CZ2-CG 4.2Å; W18-L22 PolarHBondContact O-N 3.45Å; W18-L49 HydrophobicContact CE3-CD2 3.68Å; W18-L49 HydrophobicContact CZ3-CD2 4.35Å; W18-H52 AromaticContact CD2-ND1 3.84Å; W18-H52 AromaticContact CE2-CE1 3.98Å; W18-H52 AromaticContact CE2-ND1 3.56Å; W18-H52 AromaticContact CE3-ND1 3.87Å; W18-H52 HydrophobicContact CH2-CB 4.2Å; W18-H52 AromaticContact CH2-ND1 3.38Å; W18-H52 WeakPolarHBondContact CH2-ND1 3.34Å; W18-H52 AromaticContact CZ2-ND1 3.34Å; W18-H52 VanDerWaalsContact CZ2-ND1 3.34Å; W18-H52 WeakPolarHBondContact CZ2-ND1 3.38Å; W18-H52 HydrophobicContact CZ3-CB 3.99Å; W18-H52 AromaticContact CZ3-ND1 3.65Å; W18-D54 HydrophobicContact CZ2-CB 4.19Å |
| 19 | E | 95.5 | Very high | 96.5 | Very high | 167 Ų | 167 | 70.2 Ų | 70.2 | 78% | 0.78 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 179.1 | -65.4 | 175.5 | -178.5 | 0 | 0 | 111.8 | Y21 L22 G23 | E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 2.71Å; E19-L22 PolarHBondContact O-N 3.05Å; E19-G23 PolarHBondContact O-N 3.47Å |
| 20 | S | 96.7 | Very high | 96.4 | Very high | 64 Ų | 64 | 69.5 Ų | 69.5 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 175.7 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | W18 G23 L24 | W18-S20 VanDerWaalsContact C-N 3.34Å; W18-S20 PolarHBondContact O-N 3.47Å; S20-G23 PolarHBondContact O-N 3.07Å; S20-L24 VanDerWaalsContact O-CG 3.28Å; S20-L24 WeakPolarHBondContact O-CG 3.43Å; S20-L24 PolarHBondContact O-N 2.84Å |
| 21 | Y | 97.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 73.1 Ų | 73.1 | 5% | 0.051 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 174.3 | 177.4 | -113.5 | 0 | 0 | 0 | 111.2 | K17 W18 E19 G23 L24 L25 A34 L35 L38 L49 | K17-Y21 WeakPolarHBondContact O-CB 3.49Å; K17-Y21 PolarHBondContact O-N 3.29Å; W18-Y21 HydrophobicContact CE3-CD1 4.01Å; W18-Y21 AromaticContact CZ3-CD1 3.75Å; W18-Y21 HydrophobicContact CZ3-CD1 3.75Å; W18-Y21 HydrophobicContact CZ3-CE1 4.08Å; W18-Y21 WeakPolarHBondContact O-CB 3.45Å; W18-Y21 PolarHBondContact O-N 3.47Å; W18-Y21 VanDerWaalsContact O-N 3.13Å; E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 2.71Å; Y21-G23 VanDerWaalsContact C-N 3.34Å; Y21-G23 PolarHBondContact O-N 3.11Å; Y21-L24 PolarHBondContact O-N 3.09Å; Y21-L25 HydrophobicContact CD1-CD1 4.17Å; Y21-L25 HydrophobicContact CE1-CD1 3.58Å; Y21-L25 HydrophobicContact CE1-CG 4.36Å; Y21-L25 HydrophobicContact CE2-CD1 4.29Å; Y21-L25 HydrophobicContact CE2-CD2 4.24Å; Y21-L25 HydrophobicContact CE2-CG 4.27Å; Y21-L25 WeakPolarHBondContact O-CG 3.27Å; Y21-L25 PolarHBondContact O-N 3.3Å; Y21-A34 HydrophobicContact CD2-CB 3.91Å; Y21-A34 HydrophobicContact CE2-CB 3.93Å; Y21-L35 HydrophobicContact CD2-CD2 4.27Å; Y21-L35 HydrophobicContact CE2-CD2 4.08Å; Y21-L35 HydrophobicContact CE2-CG 4.15Å; Y21-L38 HydrophobicContact CD2-CD1 4.04Å; Y21-L38 HydrophobicContact CG-CD1 4.33Å; Y21-L49 HydrophobicContact CD1-CB 4.41Å; Y21-L49 HydrophobicContact CD2-CD1 4.45Å; Y21-L49 HydrophobicContact CE1-CB 4.5Å; Y21-L49 HydrophobicContact CG-CD1 4.33Å; Y21-L49 HydrophobicContact CG-CD2 4.49Å |
| 22 | L | 95.9 | Very high | 96.3 | Very high | 62 Ų | 62 | 72.9 Ų | 72.9 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 176 | -68 | 177.7 | 0 | 0 | 0 | 112.1 | W18 E19 L24 L25 Q26 | W18-L22 HydrophobicContact CD2-CD1 4.4Å; W18-L22 HydrophobicContact CD2-CG 4.4Å; W18-L22 HydrophobicContact CH2-CD2 4.17Å; W18-L22 HydrophobicContact CZ2-CD1 4.05Å; W18-L22 HydrophobicContact CZ2-CD2 3.99Å; W18-L22 HydrophobicContact CZ2-CG 4.2Å; W18-L22 PolarHBondContact O-N 3.45Å; E19-L22 PolarHBondContact O-N 3.05Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.18Å; L22-L25 PolarHBondContact O-N 3.1Å; L22-Q26 WeakPolarHBondContact O-CG 3.47Å; L22-Q26 PolarHBondContact O-N 3.47Å |
| 23 | G | 97.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 73.5 Ų | 73.5 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -36.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E19 S20 Y21 Q26 A27 | E19-G23 PolarHBondContact O-N 3.47Å; S20-G23 PolarHBondContact O-N 3.07Å; Y21-G23 VanDerWaalsContact C-N 3.34Å; Y21-G23 PolarHBondContact O-N 3.11Å; G23-Q26 PolarHBondContact O-N 3.31Å; G23-A27 PolarHBondContact O-N 2.88Å; G23-A27 VanDerWaalsContact O-N 3.12Å |
| 24 | L | 97.3 | Very high | 96.3 | Very high | 36 Ų | 36 | 70.2 Ų | 70.2 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 174.5 | -71.9 | 165 | 0 | 0 | 0 | 111.9 | S20 Y21 L22 Q26 A27 E28 Y29 A34 A37 L38 | S20-L24 VanDerWaalsContact O-CG 3.28Å; S20-L24 WeakPolarHBondContact O-CG 3.43Å; S20-L24 PolarHBondContact O-N 2.84Å; Y21-L24 PolarHBondContact O-N 3.09Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.18Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-Q26 PolarHBondContact O-N 3.32Å; L24-A27 CarbonylContact O-C 3.57Å; L24-A27 PolarHBondContact O-N 2.95Å; L24-A27 VanDerWaalsContact O-N 3.14Å; L24-E28 PolarHBondContact O-N 3.13Å; L24-Y29 HydrophobicContact CD2-CD1 4.4Å; L24-Y29 HydrophobicContact CD2-CD2 4.26Å; L24-Y29 HydrophobicContact CD2-CE1 4.48Å; L24-Y29 HydrophobicContact CD2-CE2 4.36Å; L24-Y29 HydrophobicContact CD2-CG 4.3Å; L24-Y29 WeakPolarHBondContact O-CB 3.09Å; L24-Y29 PolarHBondContact O-N 3.31Å; L24-Y29 VanDerWaalsContact O-N 3.16Å; L24-A34 HydrophobicContact CB-CB 3.76Å; L24-A34 HydrophobicContact CD1-CB 4.1Å; L24-A37 HydrophobicContact CD1-CB 4.04Å; L24-L38 HydrophobicContact CD1-CD1 4.4Å; L24-L38 HydrophobicContact CD1-CD2 4.16Å; L24-L38 HydrophobicContact CD1-CG 3.93Å |
| 25 | L | 96.2 | Very high | 96.3 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 175 | -65.1 | -177.5 | 0 | 0 | 0 | 112 | Y21 L22 A27 E28 E31 A34 | Y21-L25 HydrophobicContact CD1-CD1 4.17Å; Y21-L25 HydrophobicContact CE1-CD1 3.58Å; Y21-L25 HydrophobicContact CE1-CG 4.36Å; Y21-L25 HydrophobicContact CE2-CD1 4.29Å; Y21-L25 HydrophobicContact CE2-CD2 4.24Å; Y21-L25 HydrophobicContact CE2-CG 4.27Å; Y21-L25 WeakPolarHBondContact O-CG 3.27Å; Y21-L25 PolarHBondContact O-N 3.3Å; L22-L25 PolarHBondContact O-N 3.1Å; L25-A27 PolarHBondContact O-N 3.44Å; L25-E28 PolarHBondContact O-N 3.02Å; L25-E28 VanDerWaalsContact O-N 3.14Å; L25-E31 HydrophobicContact CD2-CG 4.04Å; L25-A34 HydrophobicContact CD2-CB 4.36Å |
| 26 | Q | 96.6 | Very high | 96.3 | Very high | 163 Ų | 163 | 73.4 Ų | 73.4 | 76% | 0.762 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.5 | -28 | 173.5 | -73.1 | 175.1 | 6.7 | 0 | 0 | 112.7 | L22 G23 L24 E28 | L22-Q26 WeakPolarHBondContact O-CG 3.47Å; L22-Q26 PolarHBondContact O-N 3.47Å; G23-Q26 PolarHBondContact O-N 3.31Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-Q26 PolarHBondContact O-N 3.32Å; Q26-E28 PolarHBondContact O-N 3.38Å |
| 27 | A | 96.6 | Very high | 96.3 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 18.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G23 L24 L25 Y29 | G23-A27 PolarHBondContact O-N 2.88Å; G23-A27 VanDerWaalsContact O-N 3.12Å; L24-A27 CarbonylContact O-C 3.57Å; L24-A27 PolarHBondContact O-N 2.95Å; L24-A27 VanDerWaalsContact O-N 3.14Å; L25-A27 PolarHBondContact O-N 3.44Å; A27-Y29 VanDerWaalsContact C-N 3.28Å; A27-Y29 HydrophobicContact CB-CD2 4.07Å; A27-Y29 HydrophobicContact CB-CE2 4.27Å; A27-Y29 PolarHBondContact O-N 2.94Å |
| 28 | E | 95 | Very high | 96.3 | Very high | 187 Ų | 187 | 71.2 Ų | 71.2 | 87% | 0.874 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 23.7 | 176.8 | -54 | -171.4 | 128.3 | 0 | 0 | 115.3 | L24 L25 Q26 | L24-E28 PolarHBondContact O-N 3.13Å; L25-E28 PolarHBondContact O-N 3.02Å; L25-E28 VanDerWaalsContact O-N 3.14Å; Q26-E28 PolarHBondContact O-N 3.38Å |
| 29 | Y | 95.5 | Very high | 96.3 | Very high | 122 Ų | 122 | 71.4 Ų | 71.4 | 48% | 0.478 | 40% | 0.401 | S | S | . | . | trans | -71.3 | 145 | 168.1 | -77.7 | -114.6 | 0 | 0 | 0 | 110.3 | L24 A27 D33 | L24-Y29 HydrophobicContact CD2-CD1 4.4Å; L24-Y29 HydrophobicContact CD2-CD2 4.26Å; L24-Y29 HydrophobicContact CD2-CE1 4.48Å; L24-Y29 HydrophobicContact CD2-CE2 4.36Å; L24-Y29 HydrophobicContact CD2-CG 4.3Å; L24-Y29 WeakPolarHBondContact O-CB 3.09Å; L24-Y29 PolarHBondContact O-N 3.31Å; L24-Y29 VanDerWaalsContact O-N 3.16Å; A27-Y29 VanDerWaalsContact C-N 3.28Å; A27-Y29 HydrophobicContact CB-CD2 4.07Å; A27-Y29 HydrophobicContact CB-CE2 4.27Å; A27-Y29 PolarHBondContact O-N 2.94Å; Y29-D33 HydrophobicContact CD1-CB 3.97Å | ||
| 30 | T | 96.2 | Very high | 96.3 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | trans | -65.5 | 154.9 | 168 | 73.7 | 0 | 0 | 0 | 0 | 110.1 | G32 D33 A34 | T30-G32 PolarHBondContact O-N 3.02Å; T30-D33 PolarHBondContact O-N 2.94Å; T30-D33 VanDerWaalsContact O-N 3.16Å; T30-D33 WeakPolarHBondContact OG1-CB 3.45Å; T30-D33 PolarHBondContact OG1-N 3.19Å; T30-D33 VanDerWaalsContact OG1-N 3.12Å; T30-D33 PolarHBondContact OG1-OD2 3.46Å; T30-A34 WeakPolarHBondContact O-CB 3.22Å; T30-A34 PolarHBondContact O-N 3.16Å | ||
| 31 | E | 95.5 | Very high | 96.2 | Very high | 112 Ų | 112 | 69.6 Ų | 69.6 | 52% | 0.523 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.7 | -34.2 | 178.5 | -58.5 | 89.7 | 157 | 0 | 0 | 111.3 | L25 L35 L50 | L25-E31 HydrophobicContact CD2-CG 4.04Å; E31-L35 VanDerWaalsContact O-CD1 3.27Å; E31-L35 WeakPolarHBondContact O-CD1 3.37Å; E31-L35 WeakPolarHBondContact O-CG 3.41Å; E31-L35 PolarHBondContact O-N 3.03Å; E31-L50 HydrophobicContact CB-CD2 3.83Å; E31-L50 HydrophobicContact CG-CD2 4.42Å |
| 32 | G | 95.7 | Very high | 96.1 | Very high | 32 Ų | 32 | 75 Ų | 75 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.5 | -56.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T30 A34 L35 D36 R46 | T30-G32 PolarHBondContact O-N 3.02Å; G32-A34 VanDerWaalsContact C-N 3.31Å; G32-A34 PolarHBondContact O-N 3.27Å; G32-L35 PolarHBondContact O-N 3.39Å; G32-L35 VanDerWaalsContact O-N 3.16Å; G32-D36 PolarHBondContact O-N 3.16Å; G32-R46 PolarHBondContact O-NH1 3.28Å |
| 33 | D | 96.2 | Very high | 96.2 | Very high | 88 Ų | 88 | 81.2 Ų | 81.2 | 47% | 0.471 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | -177.1 | -61.8 | -38.1 | 0 | 0 | 0 | 111.8 | Y29 T30 L35 D36 A37 | Y29-D33 HydrophobicContact CD1-CB 3.97Å; T30-D33 PolarHBondContact O-N 2.94Å; T30-D33 VanDerWaalsContact O-N 3.16Å; T30-D33 WeakPolarHBondContact OG1-CB 3.45Å; T30-D33 PolarHBondContact OG1-N 3.19Å; T30-D33 VanDerWaalsContact OG1-N 3.12Å; T30-D33 PolarHBondContact OG1-OD2 3.46Å; D33-L35 VanDerWaalsContact C-N 3.35Å; D33-L35 PolarHBondContact O-N 2.89Å; D33-D36 PolarHBondContact O-N 3.12Å; D33-A37 WeakPolarHBondContact O-CB 3.33Å; D33-A37 PolarHBondContact O-N 3.44Å |
| 34 | A | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y21 L24 L25 T30 G32 D36 A37 L38 | Y21-A34 HydrophobicContact CD2-CB 3.91Å; Y21-A34 HydrophobicContact CE2-CB 3.93Å; L24-A34 HydrophobicContact CB-CB 3.76Å; L24-A34 HydrophobicContact CD1-CB 4.1Å; L25-A34 HydrophobicContact CD2-CB 4.36Å; T30-A34 WeakPolarHBondContact O-CB 3.22Å; T30-A34 PolarHBondContact O-N 3.16Å; G32-A34 VanDerWaalsContact C-N 3.31Å; G32-A34 PolarHBondContact O-N 3.27Å; A34-D36 VanDerWaalsContact C-N 3.35Å; A34-A37 PolarHBondContact O-N 3.13Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 3.41Å; A34-L38 VanDerWaalsContact O-N 3.07Å |
| 35 | L | 97 | Very high | 96.1 | Very high | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.016 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.3 | -34.7 | 177.4 | -67.4 | 167.5 | 0 | 0 | 0 | 112.7 | Y21 E31 G32 D33 L38 G39 L40 R46 L49 L50 | Y21-L35 HydrophobicContact CD2-CD2 4.27Å; Y21-L35 HydrophobicContact CE2-CD2 4.08Å; Y21-L35 HydrophobicContact CE2-CG 4.15Å; E31-L35 VanDerWaalsContact O-CD1 3.27Å; E31-L35 WeakPolarHBondContact O-CD1 3.37Å; E31-L35 WeakPolarHBondContact O-CG 3.41Å; E31-L35 PolarHBondContact O-N 3.03Å; G32-L35 PolarHBondContact O-N 3.39Å; G32-L35 VanDerWaalsContact O-N 3.16Å; D33-L35 VanDerWaalsContact C-N 3.35Å; D33-L35 PolarHBondContact O-N 2.89Å; L35-L38 PolarHBondContact O-N 3.06Å; L35-G39 PolarHBondContact O-N 3Å; L35-L40 HydrophobicContact CD2-CD1 3.89Å; L35-L40 WeakPolarHBondContact O-CB 3.28Å; L35-L40 PolarHBondContact O-N 3.34Å; L35-L40 VanDerWaalsContact O-N 3.11Å; L35-R46 HydrophobicContact CB-CG 4.31Å; L35-R46 HydrophobicContact CD1-CB 4.13Å; L35-R46 HydrophobicContact CD1-CG 4.08Å; L35-R46 HydrophobicContact CD2-CG 4.47Å; L35-L49 HydrophobicContact CD2-CB 3.93Å; L35-L49 HydrophobicContact CD2-CD1 3.62Å; L35-L49 HydrophobicContact CD2-CG 4.39Å; L35-L50 HydrophobicContact CD1-CD1 3.74Å; L35-L50 HydrophobicContact CD1-CD2 3.75Å; L35-L50 HydrophobicContact CD1-CG 3.66Å |
| 36 | D | 96.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 77.6 Ų | 77.6 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 174.5 | -82.5 | -62.3 | 0 | 0 | 0 | 111.8 | G32 D33 A34 L38 G39 R46 | G32-D36 PolarHBondContact O-N 3.16Å; D33-D36 PolarHBondContact O-N 3.12Å; A34-D36 VanDerWaalsContact C-N 3.35Å; D36-L38 PolarHBondContact O-N 3.49Å; D36-G39 PolarHBondContact O-N 3.29Å; D36-R46 IonicContact OD1-CZ 3.71Å; D36-R46 IonicContact OD1-NH1 3.92Å; D36-R46 IonicContact OD1-NH2 2.64Å; D36-R46 PolarHBondContact OD1-NH2 3.49Å; D36-R46 IonicContact OD2-CZ 3.37Å; D36-R46 IonicContact OD2-NH1 2.83Å; D36-R46 PolarHBondContact OD2-NH1 2.66Å; D36-R46 IonicContact OD2-NH2 2.99Å; D36-R46 PolarHBondContact OD2-NH2 3.14Å |
| 37 | A | 96.3 | Very high | 96.2 | Very high | 67 Ų | 67 | 75.2 Ų | 75.2 | 55% | 0.554 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.1 | -35.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L24 D33 A34 G39 | L24-A37 HydrophobicContact CD1-CB 4.04Å; D33-A37 WeakPolarHBondContact O-CB 3.33Å; D33-A37 PolarHBondContact O-N 3.44Å; A34-A37 PolarHBondContact O-N 3.13Å; A37-G39 PolarHBondContact O-N 3.48Å |
| 38 | L | 95.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 73.1 Ų | 73.1 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -0.9 | 174.7 | -67.4 | 171.5 | 0 | 0 | 0 | 114 | K17 Y21 L24 A34 L35 D36 L40 L49 | K17-L38 HydrophobicContact CB-CD1 4.48Å; K17-L38 HydrophobicContact CD-CB 4.47Å; K17-L38 PolarHBondContact NZ-O 2.92Å; Y21-L38 HydrophobicContact CD2-CD1 4.04Å; Y21-L38 HydrophobicContact CG-CD1 4.33Å; L24-L38 HydrophobicContact CD1-CD1 4.4Å; L24-L38 HydrophobicContact CD1-CD2 4.16Å; L24-L38 HydrophobicContact CD1-CG 3.93Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 3.41Å; A34-L38 VanDerWaalsContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 3.06Å; D36-L38 PolarHBondContact O-N 3.49Å; L38-L40 HydrophobicContact CB-CD1 4.45Å; L38-L40 HydrophobicContact CB-CG 4.32Å; L38-L40 PolarHBondContact O-N 3.18Å; L38-L49 HydrophobicContact CD1-CD1 3.95Å |
| 39 | G | 95.5 | Very high | 96.3 | Very high | 37 Ų | 37 | 64.3 Ų | 64.3 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 33.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K12 L35 D36 A37 K41 | K12-G39 PolarHBondContact NZ-O 2.99Å; K12-G39 VanDerWaalsContact NZ-O 3.14Å; L35-G39 PolarHBondContact O-N 3Å; D36-G39 PolarHBondContact O-N 3.29Å; A37-G39 PolarHBondContact O-N 3.48Å; G39-K41 PolarHBondContact O-N 2.92Å |
| 40 | L | 95.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | trans | -94.9 | 85.1 | 177.7 | -65.6 | 178.2 | 0 | 0 | 0 | 111.6 | K12 I14 K17 L35 L38 C45 R46 L49 | K12-L40 HydrophobicContact CD-CD2 4.48Å; I14-L40 HydrophobicContact CD1-CD1 4.49Å; I14-L40 HydrophobicContact CD1-CD2 3.64Å; K17-L40 HydrophobicContact CD-CD1 4.38Å; K17-L40 HydrophobicContact CD-CD2 4.03Å; K17-L40 HydrophobicContact CD-CG 4.32Å; L35-L40 HydrophobicContact CD2-CD1 3.89Å; L35-L40 WeakPolarHBondContact O-CB 3.28Å; L35-L40 PolarHBondContact O-N 3.34Å; L35-L40 VanDerWaalsContact O-N 3.11Å; L38-L40 HydrophobicContact CB-CD1 4.45Å; L38-L40 HydrophobicContact CB-CG 4.32Å; L38-L40 PolarHBondContact O-N 3.18Å; L40-C45 HydrophobicContact CD2-CB 4.36Å; L40-R46 HydrophobicContact CB-CG 4Å; L40-R46 WeakPolarHBondContact O-CG 3.49Å; L40-R46 VanDerWaalsContact O-CZ 3.23Å; L40-R46 PolarHBondContact O-NE 3.23Å; L40-R46 PolarHBondContact O-NH2 3.21Å; L40-L49 HydrophobicContact CD1-CD1 3.32Å; L40-L49 HydrophobicContact CD1-CG 4.36Å | ||
| 41 | K | 93.9 | Very high | 96.3 | Very high | 191 Ų | 191 | 63.7 Ų | 63.7 | 83% | 0.83 | 33% | 0.326 | S | S | * | . | trans | -72.1 | -36.6 | -178.4 | -59.8 | -172.5 | 177.7 | -173.6 | 0 | 114.6 | G39 | G39-K41 PolarHBondContact O-N 2.92Š| ||
| 42 | R | 96.2 | Very high | 96.3 | Very high | 128 Ų | 128 | 59.8 Ų | 59.8 | 48% | 0.483 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -88.8 | 132.7 | -174.2 | -63.7 | -174 | -66.6 | -110.8 | 3.3 | 111.8 | C44 C45 R46 | R42-C44 PolarHBondContact O-N 3.44Å; R42-C45 PolarHBondContact NE-SG 3.26Å; R42-C45 PolarHBondContact O-N 3.33Å; R42-R46 PolarHBondContact O-N 2.97Å; R42-R46 VanDerWaalsContact O-N 3.08Å |
| 43 | Y | 97 | Very high | 96.2 | Very high | 191 Ų | 191 | 63 Ų | 63 | 75% | 0.749 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -54.6 | -36.6 | 176.9 | 65.6 | -92.1 | 0 | 0 | 0 | 112.9 | C45 R46 R47 | Y43-C45 VanDerWaalsContact C-N 3.27Å; Y43-C45 PolarHBondContact O-N 3.05Å; Y43-R46 PolarHBondContact O-N 3.21Å; Y43-R47 PolarHBondContact O-N 3.39Å |
| 44 | C | 97.6 | Very high | 96 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 5% | 0.054 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -31.3 | -179 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | C7 T9 R42 R47 | C7-C44 VanDerWaalsContact SG-C 3.59Å; C7-C44 PolarHBondContact SG-O 3.08Å; T9-C44 HydrophobicContact CG2-CB 4.12Å; R42-C44 PolarHBondContact O-N 3.44Å; C44-R47 WeakPolarHBondContact O-CG 3.45Å; C44-R47 PolarHBondContact O-NE 3.12Å |
| 45 | C | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -88.9 | -27.1 | 176.6 | -28.5 | 0 | 0 | 0 | 0 | 110.5 | C7 C10 I14 L40 R42 Y43 M48 | C7-C45 HydrophobicContact CB-CB 4.2Å; C10-C45 WeakPolarHBondContact CB-SG 3.39Å; C10-C45 WeakPolarHBondContact SG-CB 3.29Å; C10-C45 CovalentContact SG-SG 2.1Å; C10-C45 PolarHBondContact SG-SG 3.42Å; I14-C45 HydrophobicContact CD1-CB 3.93Å; L40-C45 HydrophobicContact CD2-CB 4.36Å; R42-C45 PolarHBondContact NE-SG 3.26Å; R42-C45 PolarHBondContact O-N 3.33Å; Y43-C45 VanDerWaalsContact C-N 3.27Å; Y43-C45 PolarHBondContact O-N 3.05Å; C45-M48 WeakPolarHBondContact O-CB 3.35Å |
| 46 | R | 97.2 | Very high | 95.5 | Very high | 45 Ų | 45 | 66.8 Ų | 66.8 | 17% | 0.17 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 171.8 | -74 | -170.4 | -176.9 | -124.6 | -1.6 | 113.5 | G32 L35 D36 L40 R42 Y43 M48 L49 L50 | G32-R46 PolarHBondContact O-NH1 3.28Å; L35-R46 HydrophobicContact CB-CG 4.31Å; L35-R46 HydrophobicContact CD1-CB 4.13Å; L35-R46 HydrophobicContact CD1-CG 4.08Å; L35-R46 HydrophobicContact CD2-CG 4.47Å; D36-R46 IonicContact OD1-CZ 3.71Å; D36-R46 IonicContact OD1-NH1 3.92Å; D36-R46 IonicContact OD1-NH2 2.64Å; D36-R46 PolarHBondContact OD1-NH2 3.49Å; D36-R46 IonicContact OD2-CZ 3.37Å; D36-R46 IonicContact OD2-NH1 2.83Å; D36-R46 PolarHBondContact OD2-NH1 2.66Å; D36-R46 IonicContact OD2-NH2 2.99Å; D36-R46 PolarHBondContact OD2-NH2 3.14Å; L40-R46 HydrophobicContact CB-CG 4Å; L40-R46 WeakPolarHBondContact O-CG 3.49Å; L40-R46 VanDerWaalsContact O-CZ 3.23Å; L40-R46 PolarHBondContact O-NE 3.23Å; L40-R46 PolarHBondContact O-NH2 3.21Å; R42-R46 PolarHBondContact O-N 2.97Å; R42-R46 VanDerWaalsContact O-N 3.08Å; Y43-R46 PolarHBondContact O-N 3.21Å; R46-M48 PolarHBondContact O-N 2.78Å; R46-M48 VanDerWaalsContact O-N 3.09Å; R46-L49 PolarHBondContact O-N 2.92Å; R46-L50 HydrophobicContact CB-CD1 4.48Å; R46-L50 PolarHBondContact O-N 3.16Å; R46-L50 VanDerWaalsContact O-N 3.13Å |
| 47 | R | 97.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 68.7 Ų | 68.7 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.7 | -28.6 | -179.6 | 82.2 | -171.2 | 168.9 | 168.8 | 2.9 | 112.5 | T9 Y43 C44 L49 L50 S51 | T9-R47 PolarHBondContact OG1-NH2 3.48Å; Y43-R47 PolarHBondContact O-N 3.39Å; C44-R47 WeakPolarHBondContact O-CG 3.45Å; C44-R47 PolarHBondContact O-NE 3.12Å; R47-L49 PolarHBondContact O-N 3.14Å; R47-L50 PolarHBondContact O-N 3.49Å; R47-S51 WeakPolarHBondContact O-CB 3.37Å; R47-S51 PolarHBondContact O-N 3.32Å; R47-S51 PolarHBondContact O-OG 3.11Å |
| 48 | M | 96.8 | Very high | 95 | Very high | 16 Ų | 16 | 72.2 Ų | 72.2 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -30 | 178.8 | -57 | -72.1 | 87.2 | 0 | 0 | 112.9 | C7 F8 I14 C45 R46 H52 | C7-M48 HydrophobicContact CB-CG 3.93Å; C7-M48 HydrophobicContact CB-SD 4.4Å; F8-M48 HydrophobicContact CB-SD 4.3Å; F8-M48 HydrophobicContact CD2-CE 3.75Å; F8-M48 HydrophobicContact CD2-SD 3.57Å; F8-M48 VanDerWaalsContact CD2-SD 3.57Å; F8-M48 HydrophobicContact CE2-CE 4.32Å; F8-M48 HydrophobicContact CE2-SD 4.06Å; F8-M48 HydrophobicContact CG-SD 3.96Å; I14-M48 HydrophobicContact CG2-CB 4.04Å; C45-M48 WeakPolarHBondContact O-CB 3.35Å; R46-M48 PolarHBondContact O-N 2.78Å; R46-M48 VanDerWaalsContact O-N 3.09Å; M48-H52 WeakPolarHBondContact O-CB 3.39Å |
| 49 | L | 96 | Very high | 94.8 | Very high | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -89.4 | -46.7 | 174.4 | -71.2 | 172.4 | 0 | 0 | 0 | 110.9 | I3 I14 K17 W18 Y21 L35 L38 L40 R46 R47 S51 H52 | I3-L49 HydrophobicContact CD1-CD2 3.31Å; I3-L49 HydrophobicContact CD1-CG 4.37Å; I14-L49 HydrophobicContact CG2-CD2 4.24Å; I14-L49 HydrophobicContact CG2-CG 4.23Å; K17-L49 HydrophobicContact CB-CD1 4.44Å; W18-L49 HydrophobicContact CE3-CD2 3.68Å; W18-L49 HydrophobicContact CZ3-CD2 4.35Å; Y21-L49 HydrophobicContact CD1-CB 4.41Å; Y21-L49 HydrophobicContact CD2-CD1 4.45Å; Y21-L49 HydrophobicContact CE1-CB 4.5Å; Y21-L49 HydrophobicContact CG-CD1 4.33Å; Y21-L49 HydrophobicContact CG-CD2 4.49Å; L35-L49 HydrophobicContact CD2-CB 3.93Å; L35-L49 HydrophobicContact CD2-CD1 3.62Å; L35-L49 HydrophobicContact CD2-CG 4.39Å; L38-L49 HydrophobicContact CD1-CD1 3.95Å; L40-L49 HydrophobicContact CD1-CD1 3.32Å; L40-L49 HydrophobicContact CD1-CG 4.36Å; R46-L49 PolarHBondContact O-N 2.92Å; R47-L49 PolarHBondContact O-N 3.14Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 2.98Å; L49-H52 PolarHBondContact O-N 3.48Å |
| 50 | L | 96 | Very high | 94.6 | Very high | 94 Ų | 94 | 79.9 Ų | 79.9 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | -176.6 | -73.1 | 171.5 | 0 | 0 | 0 | 113.7 | E31 L35 R46 R47 | E31-L50 HydrophobicContact CB-CD2 3.83Å; E31-L50 HydrophobicContact CG-CD2 4.42Å; L35-L50 HydrophobicContact CD1-CD1 3.74Å; L35-L50 HydrophobicContact CD1-CD2 3.75Å; L35-L50 HydrophobicContact CD1-CG 3.66Å; R46-L50 HydrophobicContact CB-CD1 4.48Å; R46-L50 PolarHBondContact O-N 3.16Å; R46-L50 VanDerWaalsContact O-N 3.13Å; R47-L50 PolarHBondContact O-N 3.49Å |
| 51 | S | 95.5 | Very high | 94.3 | Very high | 89 Ų | 89 | 86 Ų | 86 | 62% | 0.622 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 11 | -177.4 | 78.6 | 0 | 0 | 0 | 0 | 113.4 | R47 L49 | R47-S51 WeakPolarHBondContact O-CB 3.37Å; R47-S51 PolarHBondContact O-N 3.32Å; R47-S51 PolarHBondContact O-OG 3.11Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 2.98Å |
| 52 | H | 95.2 | Very high | 94.1 | Very high | 30 Ų | 30 | 85.4 Ų | 85.4 | 14% | 0.139 | 41% | 0.406 | C | S | . | . | trans | -79 | 135.8 | 178.7 | -179.5 | -106.5 | 0 | 0 | 0 | 110.3 | M1 I3 W18 M48 L49 | M1-H52 PolarHBondContact O-CE1 3.49Å; M1-H52 PolarHBondContact O-NE2 3.14Å; I3-H52 VanDerWaalsContact CA-NE2 3.29Å; I3-H52 WeakPolarHBondContact CA-NE2 3.38Å; I3-H52 PolarHBondContact N-NE2 3.48Å; I3-H52 VanDerWaalsContact N-NE2 3.18Å; W18-H52 AromaticContact CD2-ND1 3.84Å; W18-H52 AromaticContact CE2-CE1 3.98Å; W18-H52 AromaticContact CE2-ND1 3.56Å; W18-H52 AromaticContact CE3-ND1 3.87Å; W18-H52 HydrophobicContact CH2-CB 4.2Å; W18-H52 AromaticContact CH2-ND1 3.38Å; W18-H52 WeakPolarHBondContact CH2-ND1 3.34Å; W18-H52 AromaticContact CZ2-ND1 3.34Å; W18-H52 VanDerWaalsContact CZ2-ND1 3.34Å; W18-H52 WeakPolarHBondContact CZ2-ND1 3.38Å; W18-H52 HydrophobicContact CZ3-CB 3.99Å; W18-H52 AromaticContact CZ3-ND1 3.65Å; M48-H52 WeakPolarHBondContact O-CB 3.39Å; L49-H52 PolarHBondContact O-N 3.48Å | ||
| 53 | V | 93.9 | Very high | 93.8 | Very high | 99 Ų | 99 | 85.1 Ų | 85.1 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | trans | -122.7 | 113.4 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | M1 L55 | M1-V53 PolarHBondContact N-O 2.98Å; V53-L55 HydrophobicContact CG1-CD2 3.76Å; V53-L55 HydrophobicContact CG1-CG 4.15Å; V53-L55 PolarHBondContact O-N 3.48Å | ||
| 54 | D | 92 | Very high | 93.3 | Very high | 39 Ų | 39 | 84.8 Ų | 84.8 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | trans | -82.2 | 82.7 | -178 | -158.4 | -0.9 | 0 | 0 | 0 | 113 | W18 I56 | W18-D54 HydrophobicContact CZ2-CB 4.19Å; D54-I56 PolarHBondContact O-N 3.25Å; D54-I56 WeakPolarHBondContact OD1-CB 3.07Å; D54-I56 WeakPolarHBondContact OD1-CG2 3.43Å; D54-I56 PolarHBondContact OD1-N 3.41Å; D54-I56 VanDerWaalsContact OD1-N 3.11Å | ||
| 55 | L | 92.8 | Very high | 92.4 | Very high | 80 Ų | 80 | 88 Ų | 88 | 42% | 0.419 | 45% | 0.448 | S | S | . | . | trans | -73.1 | -6.7 | 174.2 | -52.7 | 172.4 | 0 | 0 | 0 | 114.3 | M1 V53 E57 K58 L59 | M1-L55 VanDerWaalsContact N-N 3.11Å; V53-L55 HydrophobicContact CG1-CD2 3.76Å; V53-L55 HydrophobicContact CG1-CG 4.15Å; V53-L55 PolarHBondContact O-N 3.48Å; L55-E57 VanDerWaalsContact C-N 3.31Å; L55-E57 PolarHBondContact O-N 3.41Å; L55-K58 PolarHBondContact O-N 3.08Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 2.94Å | ||
| 56 | I | 92.6 | Very high | 91.2 | Very high | 51 Ų | 51 | 95.2 Ų | 95.2 | 26% | 0.262 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | -174.5 | -162.9 | 58.1 | 0 | 0 | 0 | 111.3 | I2 D54 K58 L59 L60 | I2-I56 HydrophobicContact CG1-CB 4.18Å; I2-I56 HydrophobicContact CG1-CG1 4.1Å; I2-I56 HydrophobicContact CG1-CG2 4.35Å; D54-I56 PolarHBondContact O-N 3.25Å; D54-I56 WeakPolarHBondContact OD1-CB 3.07Å; D54-I56 WeakPolarHBondContact OD1-CG2 3.43Å; D54-I56 PolarHBondContact OD1-N 3.41Å; D54-I56 VanDerWaalsContact OD1-N 3.11Å; I56-K58 PolarHBondContact O-N 3.38Å; I56-L59 PolarHBondContact O-N 3.3Å; I56-L59 VanDerWaalsContact O-N 3.08Å; I56-L60 HydrophobicContact CG1-CD1 4.2Å; I56-L60 HydrophobicContact CG1-CG 4.23Å; I56-L60 VanDerWaalsContact O-CG 3.27Å; I56-L60 WeakPolarHBondContact O-CG 3.48Å; I56-L60 PolarHBondContact O-N 3.44Å |
| 57 | E | 90.5 | Very high | 89.3 | Confident | 132 Ų | 132 | 106.4 Ų | 106.4 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.7 | -38.1 | 179.7 | -62.4 | -175 | 168.8 | 0 | 0 | 112.1 | L55 N61 | L55-E57 VanDerWaalsContact C-N 3.31Å; L55-E57 PolarHBondContact O-N 3.41Å; E57-N61 PolarHBondContact O-ND2 3.17Å; E57-N61 VanDerWaalsContact O-ND2 3.12Å |
| 58 | K | 90.7 | Very high | 88.9 | Confident | 141 Ų | 141 | 106.2 Ų | 106.2 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.2 | -40 | 177.6 | -65.5 | -174 | 179.6 | -177.5 | 0 | 111.8 | L55 I56 N61 Y62 | L55-K58 PolarHBondContact O-N 3.08Å; I56-K58 PolarHBondContact O-N 3.38Å; K58-N61 PolarHBondContact O-ND2 3.21Å; K58-Y62 WeakPolarHBondContact O-CE2 3.27Å |
| 59 | L | 91.1 | Very high | 88.4 | Confident | 95 Ų | 95 | 110.9 Ų | 110.9 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.5 | -31.5 | -178.7 | -68 | 174.8 | 0 | 0 | 0 | 112.6 | L55 I56 N61 Y62 | L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 2.94Å; I56-L59 PolarHBondContact O-N 3.3Å; I56-L59 VanDerWaalsContact O-N 3.08Å; L59-N61 PolarHBondContact O-N 3.17Å; L59-N61 VanDerWaalsContact O-N 3.17Å; L59-Y62 PolarHBondContact O-N 3.42Å |
| 60 | L | 90.9 | Very high | 88 | Confident | 130 Ų | 130 | 116.9 Ų | 116.9 | 68% | 0.681 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -18.6 | 178.6 | -74.2 | 170.1 | 0 | 0 | 0 | 113.7 | I56 Y62 | I56-L60 HydrophobicContact CG1-CD1 4.2Å; I56-L60 HydrophobicContact CG1-CG 4.23Å; I56-L60 VanDerWaalsContact O-CG 3.27Å; I56-L60 WeakPolarHBondContact O-CG 3.48Å; I56-L60 PolarHBondContact O-N 3.44Å; L60-Y62 VanDerWaalsContact C-N 3.26Å; L60-Y62 PolarHBondContact O-N 3.12Å |
| 61 | N | 89.3 | Confident | 87.6 | Confident | 130 Ų | 130 | 118.3 Ų | 118.3 | 70% | 0.695 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -11.8 | 177.8 | -61.8 | -48.1 | 0 | 0 | 0 | 113.8 | E57 K58 L59 | E57-N61 PolarHBondContact O-ND2 3.17Å; E57-N61 VanDerWaalsContact O-ND2 3.12Å; K58-N61 PolarHBondContact O-ND2 3.21Å; L59-N61 PolarHBondContact O-N 3.17Å; L59-N61 VanDerWaalsContact O-N 3.17Å |
| 62 | Y | 91.6 | Very high | 87.1 | Confident | 180 Ų | 180 | 120.1 Ų | 120.1 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -100.3 | 130.3 | -178.4 | -63.3 | -80.4 | 0 | 0 | 0 | 110.9 | K58 L59 L60 | K58-Y62 WeakPolarHBondContact O-CE2 3.27Å; L59-Y62 PolarHBondContact O-N 3.42Å; L60-Y62 VanDerWaalsContact C-N 3.26Å; L60-Y62 PolarHBondContact O-N 3.12Å |
| 63 | H | 88.8 | Confident | 86.5 | Confident | 122 Ų | 122 | 126.1 Ų | 126.1 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | trans | -83.4 | 132.9 | 171 | -169.3 | 55.9 | 0 | 0 | 0 | 110.3 | A65 E66 | H63-A65 PolarHBondContact O-N 3.48Å; H63-A65 VanDerWaalsContact O-N 3.08Å; H63-E66 HydrophobicContact CB-CG 4.24Å; H63-E66 PolarHBondContact O-N 3.28Å | ||
| 64 | L | 86.6 | Confident | 86 | Confident | 183 Ų | 183 | 128.1 Ų | 128.1 | 96% | 0.958 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -18.9 | -176.7 | -67.9 | 171.9 | 0 | 0 | 0 | 114.1 | ||
| 65 | A | 79.1 | Confident | 85.5 | Confident | 76 Ų | 76 | 134.9 Ų | 134.9 | 63% | 0.628 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -2.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H63 K67 | H63-A65 PolarHBondContact O-N 3.48Å; H63-A65 VanDerWaalsContact O-N 3.08Å; A65-K67 PolarHBondContact O-N 3.08Å |
| 66 | E | 70.8 | Confident | 84.9 | Confident | 153 Ų | 153 | 139.5 Ų | 139.5 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | trans | -84.5 | 112.3 | 172.7 | -71.6 | 179.2 | 166.6 | 0 | 0 | 109 | H63 | H63-E66 HydrophobicContact CB-CG 4.24Å; H63-E66 PolarHBondContact O-N 3.28Å | ||
| 67 | K | 57.3 | Low | 84.2 | Confident | 281 Ų | 281 | 147.5 Ų | 147.5 | 100% | 1.222 | 72% | 0.718 | S | S | * | * | trans | -92.5 | 0 | 168.8 | -76 | -171.9 | 179.3 | -179.2 | 0 | 110.5 | A65 | A65-K67 PolarHBondContact O-N 3.08Š|
Retrieved 67 of 67 residues in 21.1 ms
(Link to these results)