| 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 | 87.4 | Confident | 95.4 | Very high | 128 Ų | 128 | 78.6 Ų | 78.6 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | 0 | 169.1 | 0 | -98.4 | 75 | 92.1 | 0 | 0 | 108.3 | H52 L59 | M1-H52 PolarHBondContact O-NE2 3.14Å; M1-L59 HydrophobicContact SD-CD1 3.97Å | |||
| 2 | I | 92.6 | Very high | 95.4 | Very high | 121 Ų | 121 | 79.7 Ų | 79.7 | 62% | 0.621 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 146.6 | 176.7 | -57.2 | 170.7 | 0 | 0 | 0 | 110.9 | I56 | I2-I56 HydrophobicContact CG1-CB 4.31Å; I2-I56 HydrophobicContact CG1-CG1 4.24Å; I2-I56 HydrophobicContact CG1-CG2 4.37Å |
| 3 | I | 95 | Very high | 95.4 | Very high | 12 Ų | 12 | 80 Ų | 80 | 6% | 0.062 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -55 | 141.6 | 178.2 | -165.7 | 171.4 | 0 | 0 | 0 | 111.3 | V5 V14 W18 L49 H52 | I3-V5 PolarHBondContact O-N 3.12Å; I3-V14 HydrophobicContact CD1-CG1 4.08Å; I3-W18 HydrophobicContact CB-CB 4.38Å; I3-W18 HydrophobicContact CB-CG 4.41Å; I3-W18 HydrophobicContact CD1-CB 3.8Å; I3-W18 HydrophobicContact CD1-CD2 4.14Å; I3-W18 HydrophobicContact CD1-CE3 3.78Å; I3-W18 HydrophobicContact CD1-CG 4.18Å; I3-W18 HydrophobicContact CG2-CB 3.88Å; I3-W18 HydrophobicContact CG2-CG 4.28Å; I3-L49 HydrophobicContact CD1-CD2 4.23Å; I3-L49 HydrophobicContact CD1-CG 4Å; I3-H52 VanDerWaalsContact CA-NE2 3.34Å; I3-H52 WeakPolarHBondContact CA-NE2 3.37Å; I3-H52 PolarHBondContact N-NE2 3.37Å; I3-H52 VanDerWaalsContact N-NE2 3.14Å |
| 4 | P | 96.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 74.3 Ų | 74.3 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 136.2 | 176.1 | 25.1 | -36.5 | 0 | 0 | 0 | 111.9 | R6 F8 G15 M48 | P4-R6 PolarHBondContact O-N 3.31Å; P4-F8 HydrophobicContact CB-CE1 3.69Å; P4-F8 HydrophobicContact CB-CZ 3.65Å; P4-F8 HydrophobicContact CG-CE1 4.3Å; P4-F8 HydrophobicContact CG-CE2 4.3Å; P4-F8 HydrophobicContact CG-CZ 3.86Å; P4-G15 PolarHBondContact O-N 3.22Å; P4-M48 HydrophobicContact CG-SD 4.1Å |
| 5 | V | 96 | Very high | 95.5 | Very high | 107 Ų | 107 | 70.9 Ų | 70.9 | 65% | 0.648 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -57.4 | -40.3 | 179 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | I3 V14 G15 | I3-V5 PolarHBondContact O-N 3.12Å; V5-V14 PolarHBondContact O-N 3.17Å; V5-G15 PolarHBondContact O-N 3.28Å |
| 6 | R | 96.8 | Very high | 95.5 | Very high | 146 Ų | 146 | 73.8 Ų | 73.8 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | B | Isolated β-bridge | trans | -127.4 | 151.3 | 178.8 | -67 | 178.6 | 179.1 | -103.4 | 4.9 | 110.8 | P4 F8 G11 K12 | P4-R6 PolarHBondContact O-N 3.31Å; R6-F8 PolarHBondContact O-N 3.38Å; R6-G11 WeakPolarHBondContact CD-O 3.39Å; R6-G11 PolarHBondContact NH1-O 2.94Å; R6-K12 CarbonylContact C-O 3.55Å; R6-K12 VanDerWaalsContact CA-O 3.28Å; R6-K12 WeakPolarHBondContact CA-O 3.38Å |
| 7 | C | 97.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 3% | 0.027 | 38% | 0.377 | C | S | . | . | trans | -64.4 | 132.1 | 171.6 | 171 | 0 | 0 | 0 | 0 | 111.2 | T9 C10 G11 K12 V14 C44 C45 M48 | C7-T9 PolarHBondContact O-N 3.46Å; C7-T9 VanDerWaalsContact O-N 3.1Å; C7-T9 PolarHBondContact SG-N 3.13Å; C7-T9 VanDerWaalsContact SG-N 3.39Å; C7-C10 WeakPolarHBondContact CB-SG 3.29Å; C7-C10 PolarHBondContact SG-N 3.18Å; C7-C10 PolarHBondContact SG-SG 3.21Å; C7-G11 WeakPolarHBondContact O-CA 3.45Å; C7-G11 PolarHBondContact O-N 3.06Å; C7-K12 PolarHBondContact N-O 3.21Å; C7-V14 HydrophobicContact CB-CG2 3.92Å; C7-C44 VanDerWaalsContact SG-C 3.54Å; C7-C44 PolarHBondContact SG-O 3.13Å; C7-C45 HydrophobicContact CB-CB 4.17Å; C7-M48 HydrophobicContact CB-CG 3.92Å | ||
| 8 | F | 97.2 | Very high | 95.6 | Very high | 156 Ų | 156 | 69.5 Ų | 69.5 | 68% | 0.684 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.6 | -179.1 | -57.5 | -42 | 0 | 0 | 0 | 115.1 | P4 R6 M48 | P4-F8 HydrophobicContact CB-CE1 3.69Å; P4-F8 HydrophobicContact CB-CZ 3.65Å; P4-F8 HydrophobicContact CG-CE1 4.3Å; P4-F8 HydrophobicContact CG-CE2 4.3Å; P4-F8 HydrophobicContact CG-CZ 3.86Å; R6-F8 PolarHBondContact O-N 3.38Å; F8-M48 HydrophobicContact CB-SD 4.39Å; F8-M48 HydrophobicContact CD2-CE 3.64Å; F8-M48 HydrophobicContact CD2-SD 3.47Å; F8-M48 WeakPolarHBondContact CD2-SD 3.46Å; F8-M48 HydrophobicContact CE2-CE 4.09Å; F8-M48 HydrophobicContact CE2-SD 3.84Å; F8-M48 HydrophobicContact CG-SD 3.95Å |
| 9 | T | 97.6 | Very high | 95.5 | Very high | 86 Ų | 86 | 74.6 Ų | 74.6 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -50.9 | -178.6 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | C7 C44 R47 | C7-T9 PolarHBondContact O-N 3.46Å; C7-T9 VanDerWaalsContact O-N 3.1Å; C7-T9 PolarHBondContact SG-N 3.13Å; C7-T9 VanDerWaalsContact SG-N 3.39Å; T9-C44 HydrophobicContact CG2-CB 4.04Å; T9-R47 PolarHBondContact OG1-NH2 3.07Å |
| 10 | C | 97.3 | Very high | 95.6 | Very high | 44 Ų | 44 | 73.4 Ų | 73.4 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -13.3 | -171.2 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | C7 K12 C45 | C7-C10 WeakPolarHBondContact CB-SG 3.29Å; C7-C10 PolarHBondContact SG-N 3.18Å; C7-C10 PolarHBondContact SG-SG 3.21Å; C10-K12 PolarHBondContact O-N 3.45Å; C10-K12 WeakPolarHBondContact SG-CB 3.45Å; C10-C45 WeakPolarHBondContact CB-SG 3.34Å; C10-C45 WeakPolarHBondContact SG-CB 3.14Å; C10-C45 CovalentContact SG-SG 2.1Å; C10-C45 PolarHBondContact SG-SG 2.8Å |
| 11 | G | 95.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | trans | 67.3 | -1.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R6 C7 | R6-G11 WeakPolarHBondContact CD-O 3.39Å; R6-G11 PolarHBondContact NH1-O 2.94Å; C7-G11 WeakPolarHBondContact O-CA 3.45Å; C7-G11 PolarHBondContact O-N 3.06Å | ||
| 12 | K | 95.9 | Very high | 96 | Very high | 91 Ų | 91 | 67.5 Ų | 67.5 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | trans | -60.6 | 142.3 | 175.2 | -169.4 | 177 | -178.5 | 175.9 | 0 | 109.6 | R6 C7 C10 V14 G39 | R6-K12 CarbonylContact C-O 3.55Å; R6-K12 VanDerWaalsContact CA-O 3.28Å; R6-K12 WeakPolarHBondContact CA-O 3.38Å; C7-K12 PolarHBondContact N-O 3.21Å; C10-K12 PolarHBondContact O-N 3.45Å; C10-K12 WeakPolarHBondContact SG-CB 3.45Å; K12-V14 PolarHBondContact O-N 2.92Å; K12-G39 PolarHBondContact NZ-O 3.33Å | ||
| 13 | I | 95.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 43% | 0.431 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 126.7 | 174.6 | -56 | 172.6 | 0 | 0 | 0 | 108.8 | N16 | I13-N16 VanDerWaalsContact CG2-OD1 3.32Å; I13-N16 WeakPolarHBondContact CG2-OD1 3.22Å |
| 14 | V | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -126 | -30.4 | -179.2 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | I3 V5 C7 K12 N16 K17 C45 M48 L49 | I3-V14 HydrophobicContact CD1-CG1 4.08Å; V5-V14 PolarHBondContact O-N 3.17Å; C7-V14 HydrophobicContact CB-CG2 3.92Å; K12-V14 PolarHBondContact O-N 2.92Å; V14-N16 PolarHBondContact O-N 2.7Å; V14-N16 VanDerWaalsContact O-N 3.11Å; V14-K17 WeakPolarHBondContact O-CB 3.39Å; V14-K17 PolarHBondContact O-N 3.27Å; V14-C45 HydrophobicContact CG2-CB 4.38Å; V14-M48 HydrophobicContact CG1-CB 3.98Å; V14-L49 HydrophobicContact CG1-CD1 3.61Å; V14-L49 HydrophobicContact CG1-CG 4.1Å | ||
| 15 | G | 95.4 | Very high | 96.3 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -60.9 | -26.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P4 V5 K17 | P4-G15 PolarHBondContact O-N 3.22Å; V5-G15 PolarHBondContact O-N 3.28Å; G15-K17 PolarHBondContact O-N 3.48Å |
| 16 | N | 95.9 | Very high | 96.3 | Very high | 116 Ų | 116 | 68.8 Ų | 68.8 | 62% | 0.62 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -77.3 | 2.5 | 177 | 72.4 | -48.3 | 0 | 0 | 0 | 114.5 | I13 V14 | I13-N16 VanDerWaalsContact CG2-OD1 3.32Å; I13-N16 WeakPolarHBondContact CG2-OD1 3.22Å; V14-N16 PolarHBondContact O-N 2.7Å; V14-N16 VanDerWaalsContact O-N 3.11Å |
| 17 | K | 95.8 | Very high | 96.3 | Very high | 32 Ų | 32 | 64.7 Ų | 64.7 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -111.5 | -5.8 | -174.5 | -58.4 | -172.1 | 176.1 | -163.2 | 0 | 114.1 | V14 G15 Y21 L38 L40 | V14-K17 WeakPolarHBondContact O-CB 3.39Å; V14-K17 PolarHBondContact O-N 3.27Å; G15-K17 PolarHBondContact O-N 3.48Å; K17-Y21 WeakPolarHBondContact O-CB 3.24Å; K17-Y21 PolarHBondContact O-N 3.46Å; K17-L38 HydrophobicContact CB-CD1 4.49Å; K17-L38 HydrophobicContact CD-CB 4.4Å; K17-L38 PolarHBondContact NZ-O 3.2Å; K17-L40 HydrophobicContact CD-CD1 4.41Å; K17-L40 HydrophobicContact CD-CD2 4.2Å; K17-L40 HydrophobicContact CD-CG 4.37Å |
| 18 | W | 95.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 73.4 Ų | 73.4 | 15% | 0.148 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.9 | -50.9 | -174.6 | 179.8 | -118.7 | 0 | 0 | 0 | 112.8 | I3 A20 Y21 L22 L49 H52 | I3-W18 HydrophobicContact CB-CB 4.38Å; I3-W18 HydrophobicContact CB-CG 4.41Å; I3-W18 HydrophobicContact CD1-CB 3.8Å; I3-W18 HydrophobicContact CD1-CD2 4.14Å; I3-W18 HydrophobicContact CD1-CE3 3.78Å; I3-W18 HydrophobicContact CD1-CG 4.18Å; I3-W18 HydrophobicContact CG2-CB 3.88Å; I3-W18 HydrophobicContact CG2-CG 4.28Å; W18-A20 VanDerWaalsContact C-N 3.33Å; W18-A20 PolarHBondContact O-N 3.44Å; W18-Y21 HydrophobicContact CE3-CD1 4.1Å; W18-Y21 AromaticContact CZ3-CD1 3.8Å; W18-Y21 HydrophobicContact CZ3-CD1 3.8Å; W18-Y21 HydrophobicContact CZ3-CE1 4.15Å; W18-Y21 WeakPolarHBondContact O-CB 3.36Å; W18-Y21 PolarHBondContact O-N 2.94Å; W18-Y21 VanDerWaalsContact O-N 3.13Å; W18-L22 HydrophobicContact CD2-CD1 4.45Å; W18-L22 HydrophobicContact CD2-CG 4.46Å; W18-L22 HydrophobicContact CH2-CD2 4.18Å; W18-L22 HydrophobicContact CZ2-CD1 4.05Å; W18-L22 HydrophobicContact CZ2-CD2 3.95Å; W18-L22 HydrophobicContact CZ2-CG 4.17Å; W18-L22 PolarHBondContact O-N 3.03Å; W18-L49 HydrophobicContact CE3-CD2 3.94Å; W18-H52 AromaticContact CD2-ND1 3.87Å; W18-H52 AromaticContact CE2-CE1 3.96Å; W18-H52 AromaticContact CE2-ND1 3.57Å; W18-H52 AromaticContact CE3-ND1 3.88Å; W18-H52 HydrophobicContact CH2-CB 4.25Å; W18-H52 AromaticContact CH2-ND1 3.38Å; W18-H52 WeakPolarHBondContact CH2-ND1 3.45Å; W18-H52 AromaticContact CZ2-CE1 3.99Å; W18-H52 AromaticContact CZ2-ND1 3.34Å; W18-H52 VanDerWaalsContact CZ2-ND1 3.34Å; W18-H52 WeakPolarHBondContact CZ2-ND1 3.48Å; W18-H52 HydrophobicContact CZ3-CB 4.03Å; W18-H52 AromaticContact CZ3-ND1 3.65Å |
| 19 | E | 95.3 | Very high | 96.1 | Very high | 166 Ų | 166 | 72 Ų | 72 | 78% | 0.776 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 179.8 | -65 | 175.4 | -178.8 | 0 | 0 | 111.9 | Y21 L22 G23 | E19-Y21 VanDerWaalsContact C-N 3.31Å; E19-Y21 PolarHBondContact O-N 3.28Å; E19-L22 PolarHBondContact O-N 3.42Å; E19-G23 PolarHBondContact O-N 2.97Å |
| 20 | A | 96.4 | Very high | 96 | Very high | 50 Ų | 50 | 71.3 Ų | 71.3 | 41% | 0.413 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W18 G23 L24 L38 | W18-A20 VanDerWaalsContact C-N 3.33Å; W18-A20 PolarHBondContact O-N 3.44Å; A20-G23 PolarHBondContact O-N 3.3Å; A20-L24 VanDerWaalsContact O-CG 3.29Å; A20-L24 WeakPolarHBondContact O-CG 3.38Å; A20-L24 PolarHBondContact O-N 3.07Å; A20-L38 HydrophobicContact CB-CD2 3.72Å |
| 21 | Y | 96.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 74.3 Ų | 74.3 | 4% | 0.043 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 173.8 | 178.1 | -112.1 | 0 | 0 | 0 | 111.8 | K17 W18 E19 G23 L24 L25 E31 A34 L35 L38 L49 | K17-Y21 WeakPolarHBondContact O-CB 3.24Å; K17-Y21 PolarHBondContact O-N 3.46Å; W18-Y21 HydrophobicContact CE3-CD1 4.1Å; W18-Y21 AromaticContact CZ3-CD1 3.8Å; W18-Y21 HydrophobicContact CZ3-CD1 3.8Å; W18-Y21 HydrophobicContact CZ3-CE1 4.15Å; W18-Y21 WeakPolarHBondContact O-CB 3.36Å; W18-Y21 PolarHBondContact O-N 2.94Å; W18-Y21 VanDerWaalsContact O-N 3.13Å; E19-Y21 VanDerWaalsContact C-N 3.31Å; E19-Y21 PolarHBondContact O-N 3.28Å; Y21-G23 VanDerWaalsContact C-N 3.33Å; Y21-G23 PolarHBondContact O-N 3.48Å; Y21-L24 PolarHBondContact O-N 3.31Å; Y21-L25 HydrophobicContact CD1-CD1 4.11Å; Y21-L25 HydrophobicContact CE1-CD1 3.53Å; Y21-L25 HydrophobicContact CE1-CG 4.29Å; Y21-L25 HydrophobicContact CE2-CD1 4.34Å; Y21-L25 HydrophobicContact CE2-CD2 4.28Å; Y21-L25 HydrophobicContact CE2-CG 4.3Å; Y21-L25 WeakPolarHBondContact O-CG 3.4Å; Y21-L25 PolarHBondContact O-N 3.01Å; Y21-E31 WeakPolarHBondContact OH-CG 3.43Å; Y21-A34 HydrophobicContact CD2-CB 3.89Å; Y21-A34 HydrophobicContact CE2-CB 3.89Å; Y21-L35 HydrophobicContact CD2-CD2 4.24Å; Y21-L35 HydrophobicContact CE2-CD2 4.04Å; Y21-L35 HydrophobicContact CE2-CG 4.05Å; Y21-L38 HydrophobicContact CD2-CD1 4Å; Y21-L38 HydrophobicContact CG-CD1 4.29Å; Y21-L49 HydrophobicContact CD1-CB 4.43Å; Y21-L49 HydrophobicContact CD1-CD2 3.93Å; Y21-L49 HydrophobicContact CD2-CD2 4.35Å; Y21-L49 HydrophobicContact CG-CD2 3.68Å |
| 22 | L | 95.6 | Very high | 95.9 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 175.9 | -68.1 | 176.3 | 0 | 0 | 0 | 112.1 | W18 E19 L24 L25 Q26 | W18-L22 HydrophobicContact CD2-CD1 4.45Å; W18-L22 HydrophobicContact CD2-CG 4.46Å; W18-L22 HydrophobicContact CH2-CD2 4.18Å; W18-L22 HydrophobicContact CZ2-CD1 4.05Å; W18-L22 HydrophobicContact CZ2-CD2 3.95Å; W18-L22 HydrophobicContact CZ2-CG 4.17Å; W18-L22 PolarHBondContact O-N 3.03Å; E19-L22 PolarHBondContact O-N 3.42Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 2.85Å; L22-L25 PolarHBondContact O-N 3.13Å; L22-Q26 WeakPolarHBondContact O-CG 3.1Å; L22-Q26 PolarHBondContact O-N 2.92Å |
| 23 | G | 97.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 74.1 Ų | 74.1 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E19 A20 Y21 Q26 A27 | E19-G23 PolarHBondContact O-N 2.97Å; A20-G23 PolarHBondContact O-N 3.3Å; Y21-G23 VanDerWaalsContact C-N 3.33Å; Y21-G23 PolarHBondContact O-N 3.48Å; G23-Q26 PolarHBondContact O-N 3.15Å; G23-A27 PolarHBondContact O-N 3.49Å; G23-A27 VanDerWaalsContact O-N 3.13Å |
| 24 | L | 96.7 | Very high | 95.9 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68 | -40.6 | 174.8 | -71.2 | 166.7 | 0 | 0 | 0 | 111.9 | A20 Y21 L22 Q26 A27 Y29 A34 A37 L38 | A20-L24 VanDerWaalsContact O-CG 3.29Å; A20-L24 WeakPolarHBondContact O-CG 3.38Å; A20-L24 PolarHBondContact O-N 3.07Å; Y21-L24 PolarHBondContact O-N 3.31Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 2.85Å; L24-Q26 VanDerWaalsContact C-N 3.34Å; L24-A27 CarbonylContact O-C 3.52Å; L24-A27 PolarHBondContact O-N 3.41Å; L24-A27 VanDerWaalsContact O-N 3.13Å; L24-Y29 HydrophobicContact CD2-CD2 4.37Å; L24-Y29 HydrophobicContact CD2-CE2 4.46Å; L24-Y29 HydrophobicContact CD2-CG 4.41Å; L24-Y29 WeakPolarHBondContact O-CB 3.34Å; L24-Y29 PolarHBondContact O-N 3.43Å; L24-A34 HydrophobicContact CB-CB 3.83Å; L24-A34 HydrophobicContact CD1-CB 4.08Å; L24-A37 HydrophobicContact CD1-CB 4.15Å; L24-L38 HydrophobicContact CD1-CD1 4.32Å; L24-L38 HydrophobicContact CD1-CD2 4.18Å; L24-L38 HydrophobicContact CD1-CG 3.93Å |
| 25 | L | 95.8 | Very high | 95.9 | Very high | 58 Ų | 58 | 70.2 Ų | 70.2 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 175.3 | -66.4 | -177.6 | 0 | 0 | 0 | 112.2 | Y21 L22 A27 E28 E31 A34 | Y21-L25 HydrophobicContact CD1-CD1 4.11Å; Y21-L25 HydrophobicContact CE1-CD1 3.53Å; Y21-L25 HydrophobicContact CE1-CG 4.29Å; Y21-L25 HydrophobicContact CE2-CD1 4.34Å; Y21-L25 HydrophobicContact CE2-CD2 4.28Å; Y21-L25 HydrophobicContact CE2-CG 4.3Å; Y21-L25 WeakPolarHBondContact O-CG 3.4Å; Y21-L25 PolarHBondContact O-N 3.01Å; L22-L25 PolarHBondContact O-N 3.13Å; L25-A27 PolarHBondContact O-N 3.01Å; L25-E28 PolarHBondContact O-N 3Å; L25-E28 VanDerWaalsContact O-N 3.12Å; L25-E31 HydrophobicContact CD2-CG 4.03Å; L25-A34 HydrophobicContact CD2-CB 4.5Å |
| 26 | Q | 96.4 | Very high | 96 | Very high | 164 Ų | 164 | 73.1 Ų | 73.1 | 77% | 0.766 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.8 | -27.6 | 173.2 | -73.7 | 176 | 3.9 | 0 | 0 | 112.6 | L22 G23 L24 E28 | L22-Q26 WeakPolarHBondContact O-CG 3.1Å; L22-Q26 PolarHBondContact O-N 2.92Å; G23-Q26 PolarHBondContact O-N 3.15Å; L24-Q26 VanDerWaalsContact C-N 3.34Å; Q26-E28 PolarHBondContact O-N 3.2Å |
| 27 | A | 95.9 | Very high | 96 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 16.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G23 L24 L25 Y29 | G23-A27 PolarHBondContact O-N 3.49Å; G23-A27 VanDerWaalsContact O-N 3.13Å; L24-A27 CarbonylContact O-C 3.52Å; L24-A27 PolarHBondContact O-N 3.41Å; L24-A27 VanDerWaalsContact O-N 3.13Å; L25-A27 PolarHBondContact O-N 3.01Å; A27-Y29 VanDerWaalsContact C-N 3.28Å; A27-Y29 HydrophobicContact CB-CD2 3.99Å; A27-Y29 HydrophobicContact CB-CE2 4.2Å; A27-Y29 PolarHBondContact O-N 2.63Å |
| 28 | E | 94.8 | Very high | 95.9 | Very high | 187 Ų | 187 | 70.8 Ų | 70.8 | 87% | 0.874 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 26.3 | 178.9 | -55.9 | -164.2 | 139.6 | 0 | 0 | 115.4 | L25 Q26 | L25-E28 PolarHBondContact O-N 3Å; L25-E28 VanDerWaalsContact O-N 3.12Å; Q26-E28 PolarHBondContact O-N 3.2Å |
| 29 | Y | 95.3 | Very high | 95.9 | Very high | 125 Ų | 125 | 70.4 Ų | 70.4 | 49% | 0.49 | 40% | 0.397 | S | S | . | . | trans | -72.9 | 146.2 | 168.2 | -78.4 | -113.6 | 0 | 0 | 0 | 110.8 | L24 A27 D33 | L24-Y29 HydrophobicContact CD2-CD2 4.37Å; L24-Y29 HydrophobicContact CD2-CE2 4.46Å; L24-Y29 HydrophobicContact CD2-CG 4.41Å; L24-Y29 WeakPolarHBondContact O-CB 3.34Å; L24-Y29 PolarHBondContact O-N 3.43Å; A27-Y29 VanDerWaalsContact C-N 3.28Å; A27-Y29 HydrophobicContact CB-CD2 3.99Å; A27-Y29 HydrophobicContact CB-CE2 4.2Å; A27-Y29 PolarHBondContact O-N 2.63Å; Y29-D33 HydrophobicContact CD1-CB 4.17Å | ||
| 30 | T | 96.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 62.5 Ų | 62.5 | 44% | 0.442 | 36% | 0.36 | S | S | . | . | trans | -66.5 | 152.5 | 168 | 74.9 | 0 | 0 | 0 | 0 | 110.3 | G32 D33 A34 | T30-G32 PolarHBondContact O-N 2.82Å; T30-D33 PolarHBondContact O-N 3.07Å; T30-D33 WeakPolarHBondContact OG1-CB 3.29Å; T30-D33 PolarHBondContact OG1-N 3.4Å; T30-D33 PolarHBondContact OG1-OD2 3.4Å; T30-A34 WeakPolarHBondContact O-CB 3.42Å; T30-A34 PolarHBondContact O-N 3.04Å | ||
| 31 | E | 94.8 | Very high | 95.8 | Very high | 107 Ų | 107 | 68.9 Ų | 68.9 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.4 | -35 | 179.4 | -58.9 | 88.8 | 160.1 | 0 | 0 | 111.4 | Y21 L25 L35 L50 | Y21-E31 WeakPolarHBondContact OH-CG 3.43Å; L25-E31 HydrophobicContact CD2-CG 4.03Å; E31-L35 VanDerWaalsContact O-CD1 3.24Å; E31-L35 WeakPolarHBondContact O-CD1 3.32Å; E31-L35 WeakPolarHBondContact O-CG 3.46Å; E31-L35 PolarHBondContact O-N 3.21Å; E31-L35 VanDerWaalsContact O-N 3.15Å; E31-L50 HydrophobicContact CB-CD2 3.91Å; E31-L50 HydrophobicContact CG-CD2 4.47Å |
| 32 | G | 95.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 76.8 Ų | 76.8 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -55.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | T30 A34 L35 D36 | T30-G32 PolarHBondContact O-N 2.82Å; G32-A34 VanDerWaalsContact C-N 3.32Å; G32-A34 PolarHBondContact O-N 2.7Å; G32-L35 PolarHBondContact O-N 3.28Å; G32-D36 PolarHBondContact O-N 3.11Å; G32-D36 VanDerWaalsContact O-OD2 3.11Å |
| 33 | D | 95.9 | Very high | 95.8 | Very high | 90 Ų | 90 | 82.7 Ų | 82.7 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | -177.8 | -62.7 | -37.4 | 0 | 0 | 0 | 111.8 | Y29 T30 L35 D36 A37 | Y29-D33 HydrophobicContact CD1-CB 4.17Å; T30-D33 PolarHBondContact O-N 3.07Å; T30-D33 WeakPolarHBondContact OG1-CB 3.29Å; T30-D33 PolarHBondContact OG1-N 3.4Å; T30-D33 PolarHBondContact OG1-OD2 3.4Å; D33-L35 PolarHBondContact O-N 2.96Å; D33-D36 PolarHBondContact O-N 3.45Å; D33-A37 WeakPolarHBondContact O-CB 3.38Å; D33-A37 PolarHBondContact O-N 2.98Å |
| 34 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y21 L24 L25 T30 G32 D36 A37 L38 | Y21-A34 HydrophobicContact CD2-CB 3.89Å; Y21-A34 HydrophobicContact CE2-CB 3.89Å; L24-A34 HydrophobicContact CB-CB 3.83Å; L24-A34 HydrophobicContact CD1-CB 4.08Å; L25-A34 HydrophobicContact CD2-CB 4.5Å; T30-A34 WeakPolarHBondContact O-CB 3.42Å; T30-A34 PolarHBondContact O-N 3.04Å; G32-A34 VanDerWaalsContact C-N 3.32Å; G32-A34 PolarHBondContact O-N 2.7Å; A34-D36 VanDerWaalsContact C-N 3.33Å; A34-D36 PolarHBondContact O-N 3.48Å; A34-A37 PolarHBondContact O-N 3.03Å; A34-L38 VanDerWaalsContact O-CG 3.22Å; A34-L38 WeakPolarHBondContact O-CG 3.31Å; A34-L38 PolarHBondContact O-N 3.44Å; A34-L38 VanDerWaalsContact O-N 3.07Å |
| 35 | L | 96.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -34 | 177.2 | -67 | 164.8 | 0 | 0 | 0 | 112.5 | Y21 E31 G32 D33 L38 G39 L40 R46 L49 L50 | Y21-L35 HydrophobicContact CD2-CD2 4.24Å; Y21-L35 HydrophobicContact CE2-CD2 4.04Å; Y21-L35 HydrophobicContact CE2-CG 4.05Å; E31-L35 VanDerWaalsContact O-CD1 3.24Å; E31-L35 WeakPolarHBondContact O-CD1 3.32Å; E31-L35 WeakPolarHBondContact O-CG 3.46Å; E31-L35 PolarHBondContact O-N 3.21Å; E31-L35 VanDerWaalsContact O-N 3.15Å; G32-L35 PolarHBondContact O-N 3.28Å; D33-L35 PolarHBondContact O-N 2.96Å; L35-L38 PolarHBondContact O-N 2.9Å; L35-G39 PolarHBondContact O-N 3.05Å; L35-L40 HydrophobicContact CD2-CD1 3.82Å; L35-L40 WeakPolarHBondContact O-CB 3.06Å; L35-L40 PolarHBondContact O-N 2.73Å; L35-R46 HydrophobicContact CB-CG 4.29Å; L35-R46 HydrophobicContact CD1-CB 4.16Å; L35-R46 HydrophobicContact CD1-CG 4.15Å; L35-L49 HydrophobicContact CD2-CB 3.94Å; L35-L49 HydrophobicContact CD2-CD1 4.02Å; L35-L49 HydrophobicContact CD2-CG 4.5Å; L35-L50 HydrophobicContact CD1-CD1 3.7Å; L35-L50 HydrophobicContact CD1-CD2 3.85Å; L35-L50 HydrophobicContact CD1-CG 3.64Å |
| 36 | D | 95.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 79.1 Ų | 79.1 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 174.3 | -84.3 | -59.5 | 0 | 0 | 0 | 111.9 | G32 D33 A34 L38 G39 R46 | G32-D36 PolarHBondContact O-N 3.11Å; G32-D36 VanDerWaalsContact O-OD2 3.11Å; D33-D36 PolarHBondContact O-N 3.45Å; A34-D36 VanDerWaalsContact C-N 3.33Å; A34-D36 PolarHBondContact O-N 3.48Å; D36-L38 PolarHBondContact O-N 3.06Å; D36-G39 PolarHBondContact O-N 3.11Å; D36-R46 IonicContact OD1-CZ 3.68Å; D36-R46 IonicContact OD1-NH1 3.89Å; D36-R46 IonicContact OD1-NH2 2.63Å; D36-R46 PolarHBondContact OD1-NH2 3.17Å; D36-R46 IonicContact OD2-CZ 3.36Å; D36-R46 IonicContact OD2-NH1 2.82Å; D36-R46 PolarHBondContact OD2-NH1 3.25Å; D36-R46 IonicContact OD2-NH2 3.01Å; D36-R46 PolarHBondContact OD2-NH2 3.12Å |
| 37 | A | 95.9 | Very high | 95.9 | Very high | 69 Ų | 69 | 76.9 Ų | 76.9 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.6 | -35.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L24 D33 A34 G39 | L24-A37 HydrophobicContact CD1-CB 4.15Å; D33-A37 WeakPolarHBondContact O-CB 3.38Å; D33-A37 PolarHBondContact O-N 2.98Å; A34-A37 PolarHBondContact O-N 3.03Å; A37-G39 PolarHBondContact O-N 3.03Å |
| 38 | L | 95 | Very high | 95.9 | Very high | 29 Ų | 29 | 74.7 Ų | 74.7 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 0 | 175.3 | -66.7 | 171 | 0 | 0 | 0 | 113.9 | K17 A20 Y21 L24 A34 L35 D36 L40 | K17-L38 HydrophobicContact CB-CD1 4.49Å; K17-L38 HydrophobicContact CD-CB 4.4Å; K17-L38 PolarHBondContact NZ-O 3.2Å; A20-L38 HydrophobicContact CB-CD2 3.72Å; Y21-L38 HydrophobicContact CD2-CD1 4Å; Y21-L38 HydrophobicContact CG-CD1 4.29Å; L24-L38 HydrophobicContact CD1-CD1 4.32Å; L24-L38 HydrophobicContact CD1-CD2 4.18Å; L24-L38 HydrophobicContact CD1-CG 3.93Å; A34-L38 VanDerWaalsContact O-CG 3.22Å; A34-L38 WeakPolarHBondContact O-CG 3.31Å; A34-L38 PolarHBondContact O-N 3.44Å; A34-L38 VanDerWaalsContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 2.9Å; D36-L38 PolarHBondContact O-N 3.06Å; L38-L40 HydrophobicContact CB-CD1 4.35Å; L38-L40 HydrophobicContact CB-CG 4.43Å; L38-L40 PolarHBondContact O-N 3.15Å |
| 39 | G | 95.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 30.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K12 L35 D36 A37 K41 | K12-G39 PolarHBondContact NZ-O 3.33Å; L35-G39 PolarHBondContact O-N 3.05Å; D36-G39 PolarHBondContact O-N 3.11Å; A37-G39 PolarHBondContact O-N 3.03Å; G39-K41 PolarHBondContact O-N 2.95Å |
| 40 | L | 95.1 | Very high | 96 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -94.2 | 85.7 | 177.1 | -65.2 | 170.1 | 0 | 0 | 0 | 110.5 | K17 L35 L38 C45 R46 L49 | K17-L40 HydrophobicContact CD-CD1 4.41Å; K17-L40 HydrophobicContact CD-CD2 4.2Å; K17-L40 HydrophobicContact CD-CG 4.37Å; L35-L40 HydrophobicContact CD2-CD1 3.82Å; L35-L40 WeakPolarHBondContact O-CB 3.06Å; L35-L40 PolarHBondContact O-N 2.73Å; L38-L40 HydrophobicContact CB-CD1 4.35Å; L38-L40 HydrophobicContact CB-CG 4.43Å; L38-L40 PolarHBondContact O-N 3.15Å; L40-C45 HydrophobicContact CD2-CB 4.12Å; L40-R46 HydrophobicContact CB-CG 4.01Å; L40-R46 WeakPolarHBondContact O-CG 3.37Å; L40-R46 VanDerWaalsContact O-CZ 3.23Å; L40-R46 PolarHBondContact O-NE 3.41Å; L40-R46 PolarHBondContact O-NH2 2.1Å; L40-L49 HydrophobicContact CD1-CD1 3.13Å | ||
| 41 | K | 93.5 | Very high | 95.9 | Very high | 183 Ų | 183 | 65.1 Ų | 65.1 | 80% | 0.796 | 33% | 0.328 | S | S | * | . | trans | -77.3 | -34.8 | -177.8 | -59.1 | -171.9 | 178.4 | -173 | 0 | 114.4 | G39 | G39-K41 PolarHBondContact O-N 2.95Š| ||
| 42 | R | 96.1 | Very high | 95.9 | Very high | 177 Ų | 177 | 61.5 Ų | 61.5 | 67% | 0.668 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -86.5 | 132.7 | -176 | -62.4 | -175.2 | -178.8 | -141.8 | 0.9 | 111.1 | C44 C45 R46 | R42-C44 PolarHBondContact O-N 3.32Å; R42-C44 VanDerWaalsContact O-N 3.15Å; R42-C45 PolarHBondContact O-N 3.34Å; R42-C45 VanDerWaalsContact O-N 3.07Å; R42-R46 PolarHBondContact O-N 3.36Å; R42-R46 VanDerWaalsContact O-N 3.12Å |
| 43 | Y | 96.8 | Very high | 95.8 | Very high | 191 Ų | 191 | 64.8 Ų | 64.8 | 75% | 0.749 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.3 | -37.1 | 178 | 67.9 | -95.9 | 0 | 0 | 0 | 112.8 | C45 R46 R47 | Y43-C45 VanDerWaalsContact C-N 3.3Å; Y43-C45 PolarHBondContact O-N 2.97Å; Y43-R46 PolarHBondContact O-N 3.03Å; Y43-R46 VanDerWaalsContact O-N 3.17Å; Y43-R47 PolarHBondContact O-N 3.36Å |
| 44 | C | 97.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.6 | -31.7 | -177.5 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | C7 T9 R42 R47 | C7-C44 VanDerWaalsContact SG-C 3.54Å; C7-C44 PolarHBondContact SG-O 3.13Å; T9-C44 HydrophobicContact CG2-CB 4.04Å; R42-C44 PolarHBondContact O-N 3.32Å; R42-C44 VanDerWaalsContact O-N 3.15Å; C44-R47 WeakPolarHBondContact O-CG 3.28Å |
| 45 | C | 96.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -85.5 | -27.1 | 175.7 | -30.2 | 0 | 0 | 0 | 0 | 110.5 | C7 C10 V14 L40 R42 Y43 | C7-C45 HydrophobicContact CB-CB 4.17Å; C10-C45 WeakPolarHBondContact CB-SG 3.34Å; C10-C45 WeakPolarHBondContact SG-CB 3.14Å; C10-C45 CovalentContact SG-SG 2.1Å; C10-C45 PolarHBondContact SG-SG 2.8Å; V14-C45 HydrophobicContact CG2-CB 4.38Å; L40-C45 HydrophobicContact CD2-CB 4.12Å; R42-C45 PolarHBondContact O-N 3.34Å; R42-C45 VanDerWaalsContact O-N 3.07Å; Y43-C45 VanDerWaalsContact C-N 3.3Å; Y43-C45 PolarHBondContact O-N 2.97Å |
| 46 | R | 97 | Very high | 95.3 | Very high | 48 Ų | 48 | 68.6 Ų | 68.6 | 18% | 0.181 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 172.2 | -72.1 | -169.5 | -173.3 | -135.5 | -1.8 | 113.4 | L35 D36 L40 R42 Y43 M48 L49 L50 | L35-R46 HydrophobicContact CB-CG 4.29Å; L35-R46 HydrophobicContact CD1-CB 4.16Å; L35-R46 HydrophobicContact CD1-CG 4.15Å; D36-R46 IonicContact OD1-CZ 3.68Å; D36-R46 IonicContact OD1-NH1 3.89Å; D36-R46 IonicContact OD1-NH2 2.63Å; D36-R46 PolarHBondContact OD1-NH2 3.17Å; D36-R46 IonicContact OD2-CZ 3.36Å; D36-R46 IonicContact OD2-NH1 2.82Å; D36-R46 PolarHBondContact OD2-NH1 3.25Å; D36-R46 IonicContact OD2-NH2 3.01Å; D36-R46 PolarHBondContact OD2-NH2 3.12Å; L40-R46 HydrophobicContact CB-CG 4.01Å; L40-R46 WeakPolarHBondContact O-CG 3.37Å; L40-R46 VanDerWaalsContact O-CZ 3.23Å; L40-R46 PolarHBondContact O-NE 3.41Å; L40-R46 PolarHBondContact O-NH2 2.1Å; R42-R46 PolarHBondContact O-N 3.36Å; R42-R46 VanDerWaalsContact O-N 3.12Å; Y43-R46 PolarHBondContact O-N 3.03Å; Y43-R46 VanDerWaalsContact O-N 3.17Å; R46-M48 PolarHBondContact O-N 2.93Å; R46-L49 PolarHBondContact O-N 3.06Å; R46-L50 HydrophobicContact CB-CD1 4.29Å; R46-L50 PolarHBondContact O-N 3.38Å; R46-L50 VanDerWaalsContact O-N 3.11Å |
| 47 | R | 96.9 | Very high | 95 | Very high | 116 Ų | 116 | 71.1 Ų | 71.1 | 44% | 0.438 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.6 | -27.8 | 179.6 | 65.1 | 164 | -174.9 | 173.7 | 7.1 | 113 | T9 Y43 C44 L49 S51 | T9-R47 PolarHBondContact OG1-NH2 3.07Å; Y43-R47 PolarHBondContact O-N 3.36Å; C44-R47 WeakPolarHBondContact O-CG 3.28Å; R47-L49 VanDerWaalsContact C-N 3.26Å; R47-L49 PolarHBondContact O-N 3.06Å; R47-S51 PolarHBondContact O-N 3.01Å; R47-S51 PolarHBondContact O-OG 3.1Å |
| 48 | M | 96.6 | Very high | 94.8 | Very high | 14 Ų | 14 | 74.8 Ų | 74.8 | 7% | 0.069 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.5 | -27.1 | 179.5 | -60.3 | -71.3 | 89.2 | 0 | 0 | 113.3 | P4 C7 F8 V14 R46 H52 | P4-M48 HydrophobicContact CG-SD 4.1Å; C7-M48 HydrophobicContact CB-CG 3.92Å; F8-M48 HydrophobicContact CB-SD 4.39Å; F8-M48 HydrophobicContact CD2-CE 3.64Å; F8-M48 HydrophobicContact CD2-SD 3.47Å; F8-M48 WeakPolarHBondContact CD2-SD 3.46Å; F8-M48 HydrophobicContact CE2-CE 4.09Å; F8-M48 HydrophobicContact CE2-SD 3.84Å; F8-M48 HydrophobicContact CG-SD 3.95Å; V14-M48 HydrophobicContact CG1-CB 3.98Å; R46-M48 PolarHBondContact O-N 2.93Å; M48-H52 WeakPolarHBondContact O-CB 3.4Å |
| 49 | L | 95.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -93.3 | -45.2 | 172.4 | -74.3 | 116.3 | 0 | 0 | 0 | 111.4 | I3 V14 W18 Y21 L35 L40 R46 R47 S51 H52 | I3-L49 HydrophobicContact CD1-CD2 4.23Å; I3-L49 HydrophobicContact CD1-CG 4Å; V14-L49 HydrophobicContact CG1-CD1 3.61Å; V14-L49 HydrophobicContact CG1-CG 4.1Å; W18-L49 HydrophobicContact CE3-CD2 3.94Å; Y21-L49 HydrophobicContact CD1-CB 4.43Å; Y21-L49 HydrophobicContact CD1-CD2 3.93Å; Y21-L49 HydrophobicContact CD2-CD2 4.35Å; Y21-L49 HydrophobicContact CG-CD2 3.68Å; L35-L49 HydrophobicContact CD2-CB 3.94Å; L35-L49 HydrophobicContact CD2-CD1 4.02Å; L35-L49 HydrophobicContact CD2-CG 4.5Å; L40-L49 HydrophobicContact CD1-CD1 3.13Å; R46-L49 PolarHBondContact O-N 3.06Å; R47-L49 VanDerWaalsContact C-N 3.26Å; R47-L49 PolarHBondContact O-N 3.06Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 2.96Å; L49-H52 PolarHBondContact O-N 3.15Å |
| 50 | L | 95.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 82.3 Ų | 82.3 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.4 | -39.1 | -176.7 | -77 | 165.8 | 0 | 0 | 0 | 113.5 | E31 L35 R46 | E31-L50 HydrophobicContact CB-CD2 3.91Å; E31-L50 HydrophobicContact CG-CD2 4.47Å; L35-L50 HydrophobicContact CD1-CD1 3.7Å; L35-L50 HydrophobicContact CD1-CD2 3.85Å; L35-L50 HydrophobicContact CD1-CG 3.64Å; R46-L50 HydrophobicContact CB-CD1 4.29Å; R46-L50 PolarHBondContact O-N 3.38Å; R46-L50 VanDerWaalsContact O-N 3.11Å |
| 51 | S | 94.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 88.5 Ų | 88.5 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 12.7 | -178.1 | 77.9 | 0 | 0 | 0 | 0 | 113.2 | R47 L49 | R47-S51 PolarHBondContact O-N 3.01Å; R47-S51 PolarHBondContact O-OG 3.1Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 2.96Å |
| 52 | H | 94.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 88.3 Ų | 88.3 | 14% | 0.139 | 42% | 0.417 | C | S | . | . | trans | -76.8 | 135.2 | 176.7 | 178.3 | -105.5 | 0 | 0 | 0 | 109.8 | M1 I3 W18 M48 L49 | M1-H52 PolarHBondContact O-NE2 3.14Å; I3-H52 VanDerWaalsContact CA-NE2 3.34Å; I3-H52 WeakPolarHBondContact CA-NE2 3.37Å; I3-H52 PolarHBondContact N-NE2 3.37Å; I3-H52 VanDerWaalsContact N-NE2 3.14Å; W18-H52 AromaticContact CD2-ND1 3.87Å; W18-H52 AromaticContact CE2-CE1 3.96Å; W18-H52 AromaticContact CE2-ND1 3.57Å; W18-H52 AromaticContact CE3-ND1 3.88Å; W18-H52 HydrophobicContact CH2-CB 4.25Å; W18-H52 AromaticContact CH2-ND1 3.38Å; W18-H52 WeakPolarHBondContact CH2-ND1 3.45Å; W18-H52 AromaticContact CZ2-CE1 3.99Å; W18-H52 AromaticContact CZ2-ND1 3.34Å; W18-H52 VanDerWaalsContact CZ2-ND1 3.34Å; W18-H52 WeakPolarHBondContact CZ2-ND1 3.48Å; W18-H52 HydrophobicContact CZ3-CB 4.03Å; W18-H52 AromaticContact CZ3-ND1 3.65Å; M48-H52 WeakPolarHBondContact O-CB 3.4Å; L49-H52 PolarHBondContact O-N 3.15Å | ||
| 53 | V | 93.6 | Very high | 94 | Very high | 99 Ų | 99 | 84.1 Ų | 84.1 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | trans | -124.6 | 115.2 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | L55 | V53-L55 HydrophobicContact CG1-CD2 3.85Å; V53-L55 HydrophobicContact CG1-CG 4.21Å; V53-L55 PolarHBondContact O-N 3.27Å | ||
| 54 | D | 91.9 | Very high | 93.7 | Very high | 44 Ų | 44 | 80.7 Ų | 80.7 | 24% | 0.235 | 42% | 0.422 | C | S | . | . | trans | -81.3 | 82.9 | -177.6 | -157.4 | -2.7 | 0 | 0 | 0 | 112.8 | I56 | D54-I56 PolarHBondContact O-N 2.87Å; D54-I56 WeakPolarHBondContact OD1-CB 3.47Å; D54-I56 WeakPolarHBondContact OD1-CG2 3.39Å; D54-I56 PolarHBondContact OD1-N 3.41Å; D54-I56 VanDerWaalsContact OD1-N 3.15Å | ||
| 55 | L | 93.3 | Very high | 93.1 | Very high | 81 Ų | 81 | 88.3 Ų | 88.3 | 42% | 0.424 | 46% | 0.461 | S | S | . | . | trans | -72.6 | -7.8 | 175.6 | -56.5 | 173.2 | 0 | 0 | 0 | 113.9 | V53 E57 K58 L59 | V53-L55 HydrophobicContact CG1-CD2 3.85Å; V53-L55 HydrophobicContact CG1-CG 4.21Å; V53-L55 PolarHBondContact O-N 3.27Å; L55-E57 VanDerWaalsContact C-N 3.32Å; L55-E57 PolarHBondContact O-N 2.96Å; L55-K58 PolarHBondContact O-N 3.32Å; L55-L59 PolarHBondContact O-N 3.49Å | ||
| 56 | I | 92.8 | Very high | 92.3 | Very high | 49 Ų | 49 | 97 Ų | 97 | 25% | 0.251 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | -174.3 | -159.8 | 60.1 | 0 | 0 | 0 | 111.5 | I2 D54 K58 L59 L60 | I2-I56 HydrophobicContact CG1-CB 4.31Å; I2-I56 HydrophobicContact CG1-CG1 4.24Å; I2-I56 HydrophobicContact CG1-CG2 4.37Å; D54-I56 PolarHBondContact O-N 2.87Å; D54-I56 WeakPolarHBondContact OD1-CB 3.47Å; D54-I56 WeakPolarHBondContact OD1-CG2 3.39Å; D54-I56 PolarHBondContact OD1-N 3.41Å; D54-I56 VanDerWaalsContact OD1-N 3.15Å; I56-K58 PolarHBondContact O-N 3.01Å; I56-L59 PolarHBondContact O-N 3.25Å; I56-L60 HydrophobicContact CG1-CD1 4.25Å; I56-L60 HydrophobicContact CG1-CG 4.22Å; I56-L60 VanDerWaalsContact O-CG 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.25Å; I56-L60 PolarHBondContact O-N 3.46Å |
| 57 | E | 90.9 | Very high | 90.7 | Very high | 137 Ų | 137 | 107.9 Ų | 107.9 | 64% | 0.64 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -57.9 | -36.2 | 179.5 | -62.4 | -173.7 | 167.2 | 0 | 0 | 112.1 | L55 N61 | L55-E57 VanDerWaalsContact C-N 3.32Å; L55-E57 PolarHBondContact O-N 2.96Å; E57-N61 PolarHBondContact O-ND2 3.09Å |
| 58 | K | 91.4 | Very high | 90.4 | Very high | 147 Ų | 147 | 107.5 Ų | 107.5 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.7 | -40.1 | 177.6 | -64.6 | -174.2 | -179.3 | -178.1 | 0 | 111.8 | L55 I56 N61 | L55-K58 PolarHBondContact O-N 3.32Å; I56-K58 PolarHBondContact O-N 3.01Å; K58-N61 PolarHBondContact O-ND2 3.1Å |
| 59 | L | 91.4 | Very high | 90.1 | Very high | 89 Ų | 89 | 112.4 Ų | 112.4 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.4 | -31.7 | -178.4 | -70.5 | 173.6 | 0 | 0 | 0 | 112.9 | M1 L55 I56 N61 Y62 | M1-L59 HydrophobicContact SD-CD1 3.97Å; L55-L59 PolarHBondContact O-N 3.49Å; I56-L59 PolarHBondContact O-N 3.25Å; L59-N61 PolarHBondContact O-N 3.39Å; L59-N61 VanDerWaalsContact O-N 3.1Å; L59-Y62 PolarHBondContact O-N 2.89Å |
| 60 | L | 92 | Very high | 89.7 | Confident | 130 Ų | 130 | 118.5 Ų | 118.5 | 68% | 0.681 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -19 | 177.8 | -75.9 | 168.1 | 0 | 0 | 0 | 113.6 | I56 Y62 | I56-L60 HydrophobicContact CG1-CD1 4.25Å; I56-L60 HydrophobicContact CG1-CG 4.22Å; I56-L60 VanDerWaalsContact O-CG 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.25Å; I56-L60 PolarHBondContact O-N 3.46Å; L60-Y62 PolarHBondContact O-N 2.97Å |
| 61 | N | 92.3 | Very high | 89.4 | Confident | 130 Ų | 130 | 119.8 Ų | 119.8 | 70% | 0.695 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -11.3 | 175.7 | -57.2 | -57.9 | 0 | 0 | 0 | 113.5 | E57 K58 L59 | E57-N61 PolarHBondContact O-ND2 3.09Å; K58-N61 PolarHBondContact O-ND2 3.1Å; L59-N61 PolarHBondContact O-N 3.39Å; L59-N61 VanDerWaalsContact O-N 3.1Å |
| 62 | Y | 93.1 | Very high | 89.1 | Confident | 178 Ų | 178 | 121.9 Ų | 121.9 | 70% | 0.698 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -107.3 | 125.7 | -178.8 | -60.9 | -81.4 | 0 | 0 | 0 | 110.4 | L59 L60 | L59-Y62 PolarHBondContact O-N 2.89Å; L60-Y62 PolarHBondContact O-N 2.97Å |
| 63 | A | 90 | Very high | 88.7 | Confident | 90 Ų | 90 | 128.1 Ų | 128.1 | 74% | 0.744 | 65% | 0.652 | S | S | * | * | trans | -75.5 | 144.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 64 | P | 88.8 | Confident | 88.3 | Confident | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | trans | -61.7 | 139 | 169.5 | 24.9 | -30.1 | 0 | 0 | 0 | 109.8 | E66 | P64-E66 PolarHBondContact O-N 3.17Š| ||
| 65 | L | 86.1 | Confident | 88 | Confident | 167 Ų | 167 | 136.8 Ų | 136.8 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | trans | -69.8 | 112 | 171.8 | -130.9 | 119.4 | 0 | 0 | 0 | 107.7 | K67 | L65-K67 PolarHBondContact O-N 3.45Š| ||
| 66 | E | 80.3 | Confident | 87.6 | Confident | 184 Ų | 184 | 141.4 Ų | 141.4 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | trans | -64.8 | 130.1 | 170.6 | -65.5 | -174.6 | 161 | 0 | 0 | 108.6 | P64 | P64-E66 PolarHBondContact O-N 3.17Š| ||
| 67 | K | 62.5 | Low | 87.1 | Confident | 277 Ų | 277 | 149.8 Ų | 149.8 | 100% | 1.204 | 75% | 0.752 | S | S | * | * | trans | -96.9 | 0 | 172.9 | -87.5 | -170.8 | 177.6 | -178 | 0 | 110.2 | L65 | L65-K67 PolarHBondContact O-N 3.45Š|
Retrieved 67 of 67 residues in 137.9 ms
(Link to these results)