| 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 | 71 | Confident | 78.8 | Confident | 94 Ų | 94 | 111.8 Ų | 111.8 | 46% | 0.463 | 61% | 0.606 | S | S | . | * | 0 | -66.5 | 0 | -75.2 | -160 | 96.2 | 0 | 0 | 110.9 | M10 V14 P15 F18 | M1-M10 HydrophobicContact CB-CE 3.85Å; M1-M10 HydrophobicContact CB-SD 3.75Å; M1-M10 HydrophobicContact CE-CE 3.99Å; M1-M10 HydrophobicContact CE-SD 3.85Å; M1-M10 HydrophobicContact CG-CE 4.44Å; M1-M10 HydrophobicContact CG-SD 4.45Å; M1-M10 WeakPolarHBondContact O-CE 3.3Å; M1-M10 HydrophobicContact SD-SD 4.36Å; M1-V14 HydrophobicContact CE-CG1 3.71Å; M1-P15 HydrophobicContact CB-CG 4.23Å; M1-P15 HydrophobicContact SD-CB 4.21Å; M1-P15 HydrophobicContact SD-CG 4.19Å; M1-F18 HydrophobicContact SD-CB 4.35Å | |||
| 2 | Q | 72.6 | Confident | 78.9 | Confident | 121 Ų | 121 | 111.7 Ų | 111.7 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | trans | -86.2 | -17 | 178.7 | -67.9 | -176.5 | -16.9 | 0 | 0 | 114.8 | M10 N12 P15 | Q2-M10 HydrophobicContact CG-CG 4.15Å; Q2-M10 HydrophobicContact CG-SD 4.24Å; Q2-N12 PolarHBondContact NE2-OD1 3.19Å; Q2-P15 HydrophobicContact CG-CG 4.25Å | ||
| 3 | S | 79.1 | Confident | 78.9 | Confident | 114 Ų | 114 | 107.2 Ų | 107.2 | 80% | 0.797 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -89.8 | -1.5 | 177.9 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 4 | D | 80.1 | Confident | 79.1 | Confident | 67 Ų | 67 | 103.1 Ų | 103.1 | 36% | 0.358 | 57% | 0.572 | S | S | . | * | trans | -96.3 | 111.5 | -175.7 | -169.9 | -28.6 | 0 | 0 | 0 | 107.5 | D6 I7 | D4-D6 PolarHBondContact O-N 3.2Å; D4-D6 PolarHBondContact OD1-N 3.03Å; D4-I7 HydrophobicContact CB-CB 4.13Å; D4-I7 HydrophobicContact CB-CD1 3.68Å; D4-I7 HydrophobicContact CB-CG1 3.82Å; D4-I7 PolarHBondContact O-N 2.75Å; D4-I7 VanDerWaalsContact OD2-CD1 3.23Å; D4-I7 WeakPolarHBondContact OD2-CD1 3.31Å | ||
| 5 | E | 80.6 | Confident | 79 | Confident | 198 Ų | 198 | 97.4 Ų | 97.4 | 93% | 0.925 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.1 | -172.9 | -62.9 | -171.1 | 171 | 0 | 0 | 112.5 | I7 | E5-I7 VanDerWaalsContact C-N 3.3Š|
| 6 | D | 81.4 | Confident | 78.8 | Confident | 158 Ų | 158 | 96.3 Ų | 96.3 | 85% | 0.845 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.7 | 177.5 | -66.6 | -35.5 | 0 | 0 | 0 | 112 | D4 G8 | D4-D6 PolarHBondContact O-N 3.2Å; D4-D6 PolarHBondContact OD1-N 3.03Å; D6-G8 PolarHBondContact O-N 3.21Å |
| 7 | I | 74.8 | Confident | 78.6 | Confident | 77 Ų | 77 | 94.5 Ų | 94.5 | 40% | 0.395 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -88.4 | 106.1 | 177.3 | -55.9 | 179.6 | 0 | 0 | 0 | 108 | D4 E5 M10 | D4-I7 HydrophobicContact CB-CB 4.13Å; D4-I7 HydrophobicContact CB-CD1 3.68Å; D4-I7 HydrophobicContact CB-CG1 3.82Å; D4-I7 PolarHBondContact O-N 2.75Å; D4-I7 VanDerWaalsContact OD2-CD1 3.23Å; D4-I7 WeakPolarHBondContact OD2-CD1 3.31Å; E5-I7 VanDerWaalsContact C-N 3.3Å; I7-M10 HydrophobicContact CB-CE 4.37Å; I7-M10 HydrophobicContact CG2-CE 3.3Å |
| 8 | G | 79.1 | Confident | 78.5 | Confident | 58 Ų | 58 | 95.2 Ų | 95.2 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | trans | -49.9 | 162.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D6 M10 | D6-G8 PolarHBondContact O-N 3.21Å; G8-M10 PolarHBondContact O-N 3.43Å | ||
| 9 | K | 82.2 | Confident | 77.8 | Confident | 223 Ų | 223 | 92.7 Ų | 92.7 | 97% | 0.97 | 52% | 0.521 | S | S | * | . | trans | -50.7 | 118.6 | -175 | -64.9 | -175.5 | -179.6 | 178.6 | 0 | 111.5 | ||||
| 10 | M | 81.6 | Confident | 76.8 | Confident | 42 Ų | 42 | 97.6 Ų | 97.6 | 21% | 0.207 | 53% | 0.532 | C | S | . | . | trans | -108.4 | 148.2 | 174.5 | 70.1 | -179.9 | 68.1 | 0 | 0 | 111.4 | M1 Q2 I7 G8 V14 P15 | M1-M10 HydrophobicContact CB-CE 3.85Å; M1-M10 HydrophobicContact CB-SD 3.75Å; M1-M10 HydrophobicContact CE-CE 3.99Å; M1-M10 HydrophobicContact CE-SD 3.85Å; M1-M10 HydrophobicContact CG-CE 4.44Å; M1-M10 HydrophobicContact CG-SD 4.45Å; M1-M10 WeakPolarHBondContact O-CE 3.3Å; M1-M10 HydrophobicContact SD-SD 4.36Å; Q2-M10 HydrophobicContact CG-CG 4.15Å; Q2-M10 HydrophobicContact CG-SD 4.24Å; I7-M10 HydrophobicContact CB-CE 4.37Å; I7-M10 HydrophobicContact CG2-CE 3.3Å; G8-M10 PolarHBondContact O-N 3.43Å; M10-V14 HydrophobicContact SD-CB 4.38Å; M10-V14 HydrophobicContact SD-CG1 4.31Å; M10-P15 HydrophobicContact SD-CG 3.72Å | ||
| 11 | S | 84.2 | Confident | 75.7 | Confident | 78 Ų | 78 | 94.9 Ų | 94.9 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | trans | -62.2 | 143.2 | 170.5 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | A13 V14 P15 | S11-A13 PolarHBondContact O-N 3.41Å; S11-A13 PolarHBondContact OG-N 2.79Å; S11-V14 WeakPolarHBondContact O-CB 3.04Å; S11-V14 PolarHBondContact O-N 3.32Å; S11-P15 WeakPolarHBondContact O-CD 3.38Å | ||
| 12 | N | 80.3 | Confident | 74.9 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.1 | 173.1 | -70.3 | -22.1 | 0 | 0 | 0 | 112.9 | Q2 V14 I16 | Q2-N12 PolarHBondContact NE2-OD1 3.19Å; N12-V14 VanDerWaalsContact C-N 3.28Å; N12-V14 PolarHBondContact O-N 2.99Å; N12-I16 VanDerWaalsContact O-CD1 3.3Å; N12-I16 WeakPolarHBondContact O-CD1 3.49Å; N12-I16 VanDerWaalsContact O-CG1 3.31Å; N12-I16 WeakPolarHBondContact O-CG1 2.92Å |
| 13 | A | 79.4 | Confident | 73.8 | Confident | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -29.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S11 I16 V17 | S11-A13 PolarHBondContact O-N 3.41Å; S11-A13 PolarHBondContact OG-N 2.79Å; A13-I16 PolarHBondContact O-N 3.02Å; A13-V17 WeakPolarHBondContact O-CG2 3.38Å; A13-V17 PolarHBondContact O-N 3.04Å |
| 14 | V | 81.2 | Confident | 72.4 | Confident | 51 Ų | 51 | 98.7 Ų | 98.7 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.5 | -55.2 | -173.1 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | M1 M10 S11 N12 I16 V17 F18 | M1-V14 HydrophobicContact CE-CG1 3.71Å; M10-V14 HydrophobicContact SD-CB 4.38Å; M10-V14 HydrophobicContact SD-CG1 4.31Å; S11-V14 WeakPolarHBondContact O-CB 3.04Å; S11-V14 PolarHBondContact O-N 3.32Å; N12-V14 VanDerWaalsContact C-N 3.28Å; N12-V14 PolarHBondContact O-N 2.99Å; V14-I16 PolarHBondContact O-N 2.63Å; V14-V17 PolarHBondContact O-N 3.26Å; V14-V17 VanDerWaalsContact O-N 3.12Å; V14-F18 HydrophobicContact CG1-CD2 3.78Å; V14-F18 HydrophobicContact CG1-CE2 4.07Å; V14-F18 WeakPolarHBondContact O-CD2 3.14Å; V14-F18 PolarHBondContact O-N 3.37Å |
| 15 | P | 77.9 | Confident | 71 | Confident | 17 Ų | 17 | 101.7 Ų | 101.7 | 11% | 0.11 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -59.2 | -33.4 | 175.7 | -23.7 | 34 | 0 | 0 | 0 | 113.4 | M1 Q2 M10 S11 F18 G19 Y20 | M1-P15 HydrophobicContact CB-CG 4.23Å; M1-P15 HydrophobicContact SD-CB 4.21Å; M1-P15 HydrophobicContact SD-CG 4.19Å; Q2-P15 HydrophobicContact CG-CG 4.25Å; M10-P15 HydrophobicContact SD-CG 3.72Å; S11-P15 WeakPolarHBondContact O-CD 3.38Å; P15-F18 PolarHBondContact O-N 2.81Å; P15-G19 PolarHBondContact O-N 3.27Å; P15-Y20 PolarHBondContact O-N 3.14Å; P15-Y20 VanDerWaalsContact O-N 3.14Å |
| 16 | I | 75.2 | Confident | 69.7 | Low | 80 Ų | 80 | 101.6 Ų | 101.6 | 41% | 0.41 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 177.5 | -66.1 | 171 | 0 | 0 | 0 | 111 | N12 A13 V14 K34 | N12-I16 VanDerWaalsContact O-CD1 3.3Å; N12-I16 WeakPolarHBondContact O-CD1 3.49Å; N12-I16 VanDerWaalsContact O-CG1 3.31Å; N12-I16 WeakPolarHBondContact O-CG1 2.92Å; A13-I16 PolarHBondContact O-N 3.02Å; V14-I16 PolarHBondContact O-N 2.63Å; I16-K34 HydrophobicContact CG2-CD 4.41Å; I16-K34 WeakPolarHBondContact O-CD 3.47Å |
| 17 | V | 75.4 | Confident | 68.5 | Low | 65 Ų | 65 | 101 Ų | 101 | 39% | 0.394 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73 | -40.9 | 177 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | A13 V14 K34 L35 | A13-V17 WeakPolarHBondContact O-CG2 3.38Å; A13-V17 PolarHBondContact O-N 3.04Å; V14-V17 PolarHBondContact O-N 3.26Å; V14-V17 VanDerWaalsContact O-N 3.12Å; V17-K34 CarbonylContact O-C 3.6Å; V17-K34 WeakPolarHBondContact O-CB 3.04Å; V17-L35 PolarHBondContact O-N 2.94Å |
| 18 | F | 76.7 | Confident | 67.6 | Low | 107 Ų | 107 | 103 Ų | 103 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.3 | -53.5 | -176.2 | -91.9 | -89.8 | 0 | 0 | 0 | 113.5 | M1 V14 P15 L35 L36 | M1-F18 HydrophobicContact SD-CB 4.35Å; V14-F18 HydrophobicContact CG1-CD2 3.78Å; V14-F18 HydrophobicContact CG1-CE2 4.07Å; V14-F18 WeakPolarHBondContact O-CD2 3.14Å; V14-F18 PolarHBondContact O-N 3.37Å; P15-F18 PolarHBondContact O-N 2.81Å; F18-L35 HydrophobicContact CD1-CD2 4.15Å; F18-L35 HydrophobicContact CE1-CD2 3.87Å; F18-L35 HydrophobicContact CZ-CD2 4.11Å; F18-L36 WeakPolarHBondContact O-CB 3.14Å; F18-L36 PolarHBondContact O-N 2.69Å |
| 19 | G | 65.2 | Low | 66.6 | Low | 49 Ų | 49 | 110.1 Ų | 110.1 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | -5.8 | -159.2 | 0 | 0 | 0 | 0 | 0 | 117 | P15 R21 | P15-G19 PolarHBondContact O-N 3.27Å; G19-R21 PolarHBondContact O-N 2.69Å |
| 20 | Y | 58.7 | Low | 65.5 | Low | 190 Ų | 190 | 108.9 Ų | 108.9 | 75% | 0.745 | 54% | 0.54 | S | S | * | . | trans | -92.2 | 91.2 | -174.8 | -115.3 | -89.4 | 0 | 0 | 0 | 112.9 | P15 | P15-Y20 PolarHBondContact O-N 3.14Å; P15-Y20 VanDerWaalsContact O-N 3.14Å | ||
| 21 | R | 54.1 | Low | 64.2 | Low | 41 Ų | 41 | 109 Ų | 109 | 16% | 0.155 | 54% | 0.541 | C | S | . | . | trans | -153.7 | 63.9 | 167.2 | -159.2 | -157.5 | -174.5 | -156 | 1.4 | 113.6 | G19 Y25 I31 P33 E37 | G19-R21 PolarHBondContact O-N 2.69Å; R21-Y25 VanDerWaalsContact CZ-CD2 3.48Å; R21-I31 PolarHBondContact NE-O 2.89Å; R21-I31 PolarHBondContact NH2-O 3.44Å; R21-P33 VanDerWaalsContact CZ-N 3.26Å; R21-P33 VanDerWaalsContact NH1-CD 3.28Å; R21-E37 WeakPolarHBondContact CB-OE1 3.5Å; R21-E37 WeakPolarHBondContact CD-OE2 3.36Å; R21-E37 IonicContact CZ-OE2 3.76Å; R21-E37 IonicContact NE-OE2 3.08Å; R21-E37 IonicContact NH1-OE2 2.84Å; R21-E37 PolarHBondContact NH1-OE2 3.44Å | ||
| 22 | I | 52.5 | Low | 62.9 | Low | 144 Ų | 144 | 112.2 Ų | 112.2 | 74% | 0.738 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -113.5 | -31.9 | 166.2 | -71 | 170 | 0 | 0 | 0 | 112.9 | ||
| 23 | Q | 50.7 | Low | 61.7 | Low | 159 Ų | 159 | 108.7 Ų | 108.7 | 74% | 0.743 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -92.1 | -36.1 | -178 | -129 | 76.5 | 12.1 | 0 | 0 | 115 | ||
| 24 | L | 49.7 | Very low | 61.2 | Low | 106 Ų | 106 | 111.4 Ų | 111.4 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -83.7 | -18.1 | -169.9 | -70.7 | 175.3 | 0 | 0 | 0 | 114.9 | K26 L27 Q28 I31 | L24-K26 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 3.12Å; L24-Q28 PolarHBondContact O-N 2.99Å; L24-I31 HydrophobicContact CB-CD1 4.31Å |
| 25 | Y | 49.7 | Very low | 61.3 | Low | 130 Ų | 130 | 112.8 Ų | 112.8 | 51% | 0.51 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -63.6 | -25.6 | 178.8 | -165.7 | -119.6 | 0 | 0 | 0 | 112.6 | R21 | R21-Y25 VanDerWaalsContact CZ-CD2 3.48Š|
| 26 | K | 53.2 | Low | 61.6 | Low | 195 Ų | 195 | 116.1 Ų | 116.1 | 85% | 0.848 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -72.4 | -26.1 | 173.8 | -70.9 | -174 | 177.3 | 179.7 | 0 | 113.7 | L24 | L24-K26 PolarHBondContact O-N 2.92Š|
| 27 | L | 56.2 | Low | 61.9 | Low | 147 Ų | 147 | 115.4 Ų | 115.4 | 77% | 0.77 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -26.2 | -175.6 | -111.5 | 79.2 | 0 | 0 | 0 | 114.1 | L24 | L24-L27 PolarHBondContact O-N 3.12Š|
| 28 | Q | 56.4 | Low | 62.3 | Low | 118 Ų | 118 | 116 Ų | 116 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | trans | -138.7 | 102.7 | -178.1 | -74 | -178.7 | -17.9 | 0 | 0 | 110.5 | L24 K30 I31 | L24-Q28 PolarHBondContact O-N 2.99Å; Q28-K30 PolarHBondContact O-N 3.36Å; Q28-I31 HydrophobicContact CB-CD1 4.29Å; Q28-I31 HydrophobicContact CB-CG1 4.37Å; Q28-I31 PolarHBondContact O-N 3.22Å | ||
| 29 | K | 58.7 | Low | 63 | Low | 207 Ų | 207 | 114 Ų | 114 | 90% | 0.9 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 14 | 176.3 | -66.5 | -172.4 | 176.7 | -178 | 0 | 115.4 | ||
| 30 | K | 58.4 | Low | 64.2 | Low | 197 Ų | 197 | 115.6 Ų | 115.6 | 86% | 0.857 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | -7.2 | -174.2 | -76.2 | -172.1 | 176.1 | -179.6 | 0 | 115.3 | Q28 K32 | Q28-K30 PolarHBondContact O-N 3.36Å; K30-K32 PolarHBondContact O-N 2.94Å |
| 31 | I | 54.5 | Low | 65.6 | Low | 44 Ų | 44 | 111 Ų | 111 | 23% | 0.226 | 52% | 0.518 | C | S | . | . | trans | -84.9 | 112 | 179 | -60.2 | 176.2 | 0 | 0 | 0 | 107.9 | R21 L24 Q28 | R21-I31 PolarHBondContact NE-O 2.89Å; R21-I31 PolarHBondContact NH2-O 3.44Å; L24-I31 HydrophobicContact CB-CD1 4.31Å; Q28-I31 HydrophobicContact CB-CD1 4.29Å; Q28-I31 HydrophobicContact CB-CG1 4.37Å; Q28-I31 PolarHBondContact O-N 3.22Å | ||
| 32 | K | 56.5 | Low | 67.4 | Low | 147 Ų | 147 | 111.4 Ų | 111.4 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | trans | -69.8 | 154.8 | 174.2 | -76.2 | -173.6 | 178.9 | -175.8 | 0 | 111.8 | K30 K34 | K30-K32 PolarHBondContact O-N 2.94Å; K32-K34 PolarHBondContact O-N 3.36Å | ||
| 33 | P | 55 | Low | 69.4 | Low | 35 Ų | 35 | 105.1 Ų | 105.1 | 23% | 0.227 | 49% | 0.49 | C | S | . | . | trans | -52.3 | 122.1 | 167.7 | 22.2 | -32.3 | 0 | 0 | 0 | 109.7 | R21 E37 H38 | R21-P33 VanDerWaalsContact CZ-N 3.26Å; R21-P33 VanDerWaalsContact NH1-CD 3.28Å; P33-E37 WeakPolarHBondContact CA-OE2 3.48Å; P33-E37 HydrophobicContact CB-CB 3.26Å; P33-E37 HydrophobicContact CB-CG 4.25Å; P33-E37 WeakPolarHBondContact CB-OE2 3.4Å; P33-H38 HydrophobicContact CG-CB 4.48Å | ||
| 34 | K | 69.7 | Low | 71.4 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 48% | 0.478 | 48% | 0.475 | S | S | . | . | trans | -81.1 | -36.5 | -165.9 | -78.3 | -170.9 | 176.5 | 179.4 | 0 | 115 | I16 V17 K32 | I16-K34 HydrophobicContact CG2-CD 4.41Å; I16-K34 WeakPolarHBondContact O-CD 3.47Å; V17-K34 CarbonylContact O-C 3.6Å; V17-K34 WeakPolarHBondContact O-CB 3.04Å; K32-K34 PolarHBondContact O-N 3.36Å | ||
| 35 | L | 82 | Confident | 73.5 | Confident | 80 Ų | 80 | 100.3 Ų | 100.3 | 42% | 0.419 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -158 | -56.4 | 169.8 | -171 | 60.6 | 0 | 0 | 0 | 112.4 | V17 F18 E37 H38 F39 | V17-L35 PolarHBondContact O-N 2.94Å; F18-L35 HydrophobicContact CD1-CD2 4.15Å; F18-L35 HydrophobicContact CE1-CD2 3.87Å; F18-L35 HydrophobicContact CZ-CD2 4.11Å; L35-E37 PolarHBondContact O-N 3.25Å; L35-H38 PolarHBondContact O-N 3.3Å; L35-F39 WeakPolarHBondContact O-CB 3.44Å; L35-F39 PolarHBondContact O-N 2.86Å |
| 36 | L | 85.2 | Confident | 75.6 | Confident | 87 Ų | 87 | 94.9 Ų | 94.9 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | -175.5 | 179.7 | 62 | 0 | 0 | 0 | 112.4 | F18 H38 F39 I40 | F18-L36 WeakPolarHBondContact O-CB 3.14Å; F18-L36 PolarHBondContact O-N 2.69Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.45Å; L36-F39 HydrophobicContact CD1-CD1 4.39Å; L36-F39 WeakPolarHBondContact O-CB 3.06Å; L36-F39 PolarHBondContact O-N 3.47Å; L36-I40 HydrophobicContact CD1-CD1 4.14Å; L36-I40 HydrophobicContact CD1-CG1 4.36Å; L36-I40 HydrophobicContact CG-CD1 3.93Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 3.07Å |
| 37 | E | 81.9 | Confident | 77.6 | Confident | 66 Ų | 66 | 85.7 Ų | 85.7 | 31% | 0.308 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.9 | -73.2 | 177.8 | 172.5 | 0 | 0 | 112.4 | R21 P33 L35 I40 E41 | R21-E37 WeakPolarHBondContact CB-OE1 3.5Å; R21-E37 WeakPolarHBondContact CD-OE2 3.36Å; R21-E37 IonicContact CZ-OE2 3.76Å; R21-E37 IonicContact NE-OE2 3.08Å; R21-E37 IonicContact NH1-OE2 2.84Å; R21-E37 PolarHBondContact NH1-OE2 3.44Å; P33-E37 WeakPolarHBondContact CA-OE2 3.48Å; P33-E37 HydrophobicContact CB-CB 3.26Å; P33-E37 HydrophobicContact CB-CG 4.25Å; P33-E37 WeakPolarHBondContact CB-OE2 3.4Å; L35-E37 PolarHBondContact O-N 3.25Å; E37-I40 PolarHBondContact O-N 2.95Å; E37-E41 WeakPolarHBondContact O-CB 3.4Å; E37-E41 PolarHBondContact O-N 3.41Å |
| 38 | H | 84.2 | Confident | 79.4 | Confident | 76 Ų | 76 | 82 Ų | 82 | 35% | 0.352 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 176.2 | -178.3 | 57 | 0 | 0 | 0 | 111 | P33 L35 L36 E41 Q42 | P33-H38 HydrophobicContact CG-CB 4.48Å; L35-H38 PolarHBondContact O-N 3.3Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.45Å; H38-E41 IonicContact ND1-OE2 4Å; H38-E41 PolarHBondContact ND1-OE2 2.88Å; H38-E41 WeakPolarHBondContact O-CB 3.23Å; H38-E41 PolarHBondContact O-N 2.93Å; H38-Q42 PolarHBondContact CE1-NE2 3.21Å; H38-Q42 WeakPolarHBondContact O-CG 3.3Å; H38-Q42 PolarHBondContact O-N 3.3Å |
| 39 | F | 89.7 | Confident | 81.1 | Confident | 67 Ų | 67 | 79.8 Ų | 79.8 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 174.1 | 170.4 | -107.5 | 0 | 0 | 0 | 111.8 | L35 L36 E41 Q42 V43 L74 F76 L77 | L35-F39 WeakPolarHBondContact O-CB 3.44Å; L35-F39 PolarHBondContact O-N 2.86Å; L36-F39 HydrophobicContact CD1-CD1 4.39Å; L36-F39 WeakPolarHBondContact O-CB 3.06Å; L36-F39 PolarHBondContact O-N 3.47Å; F39-E41 VanDerWaalsContact C-N 3.32Å; F39-E41 PolarHBondContact O-N 2.72Å; F39-Q42 PolarHBondContact O-N 3.21Å; F39-V43 HydrophobicContact CD2-CG2 4.28Å; F39-V43 HydrophobicContact CE1-CG2 4.12Å; F39-V43 HydrophobicContact CE2-CG2 3.68Å; F39-V43 HydrophobicContact CZ-CG2 3.6Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.41Å; F39-L74 HydrophobicContact CE2-CD2 3.96Å; F39-F76 HydrophobicContact CD2-CZ 4.49Å; F39-F76 HydrophobicContact CE1-CZ 4.5Å; F39-F76 AromaticContact CE2-CE1 3.91Å; F39-F76 HydrophobicContact CE2-CE1 3.91Å; F39-F76 AromaticContact CE2-CZ 3.45Å; F39-F76 HydrophobicContact CE2-CZ 3.45Å; F39-F76 VanDerWaalsContact CE2-CZ 3.45Å; F39-F76 HydrophobicContact CZ-CE1 4.27Å; F39-F76 HydrophobicContact CZ-CE2 4.24Å; F39-F76 AromaticContact CZ-CZ 3.45Å; F39-F76 HydrophobicContact CZ-CZ 3.45Å; F39-F76 VanDerWaalsContact CZ-CZ 3.45Å; F39-L77 HydrophobicContact CZ-CD1 4.05Å; F39-L77 HydrophobicContact CZ-CD2 4.13Å; F39-L77 HydrophobicContact CZ-CG 4.48Å |
| 40 | I | 90.6 | Very high | 82.7 | Confident | 81 Ų | 81 | 70 Ų | 70 | 42% | 0.415 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 175.7 | -68.9 | 165.9 | 0 | 0 | 0 | 110.6 | L36 E37 Q42 V43 L44 | L36-I40 HydrophobicContact CD1-CD1 4.14Å; L36-I40 HydrophobicContact CD1-CG1 4.36Å; L36-I40 HydrophobicContact CG-CD1 3.93Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 3.07Å; E37-I40 PolarHBondContact O-N 2.95Å; I40-Q42 PolarHBondContact O-N 2.87Å; I40-V43 PolarHBondContact O-N 3.36Å; I40-L44 HydrophobicContact CG2-CD1 3.89Å; I40-L44 HydrophobicContact CG2-CG 4.3Å; I40-L44 WeakPolarHBondContact O-CB 3.32Å; I40-L44 VanDerWaalsContact O-CG 3.32Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 3.26Å |
| 41 | E | 89.8 | Confident | 84.3 | Confident | 95 Ų | 95 | 60.6 Ų | 60.6 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 175.5 | 177.8 | -179.1 | -146.3 | 0 | 0 | 111.7 | E37 H38 F39 V43 L44 L45 | E37-E41 WeakPolarHBondContact O-CB 3.4Å; E37-E41 PolarHBondContact O-N 3.41Å; H38-E41 IonicContact ND1-OE2 4Å; H38-E41 PolarHBondContact ND1-OE2 2.88Å; H38-E41 WeakPolarHBondContact O-CB 3.23Å; H38-E41 PolarHBondContact O-N 2.93Å; F39-E41 VanDerWaalsContact C-N 3.32Å; F39-E41 PolarHBondContact O-N 2.72Å; E41-V43 PolarHBondContact O-N 3.4Å; E41-L44 PolarHBondContact O-N 3.39Å; E41-L45 HydrophobicContact CG-CD1 4.05Å; E41-L45 HydrophobicContact CG-CG 4.47Å; E41-L45 VanDerWaalsContact O-CG 3.3Å; E41-L45 WeakPolarHBondContact O-CG 3.32Å; E41-L45 PolarHBondContact O-N 3.31Å |
| 42 | Q | 90.8 | Very high | 86 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.4 | -67.4 | -53.1 | -59.8 | 0 | 0 | 112.1 | H38 F39 I40 L44 L45 R46 | H38-Q42 PolarHBondContact CE1-NE2 3.21Å; H38-Q42 WeakPolarHBondContact O-CG 3.3Å; H38-Q42 PolarHBondContact O-N 3.3Å; F39-Q42 PolarHBondContact O-N 3.21Å; I40-Q42 PolarHBondContact O-N 2.87Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.43Å; Q42-L45 PolarHBondContact O-N 3.49Å; Q42-R46 WeakPolarHBondContact O-CG 3.26Å; Q42-R46 PolarHBondContact O-N 3.09Å; Q42-R46 VanDerWaalsContact O-N 3.12Å |
| 43 | V | 93.7 | Very high | 87.6 | Confident | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 176.6 | 173 | 0 | 0 | 0 | 0 | 111 | F39 I40 E41 T47 M64 L74 L77 | F39-V43 HydrophobicContact CD2-CG2 4.28Å; F39-V43 HydrophobicContact CE1-CG2 4.12Å; F39-V43 HydrophobicContact CE2-CG2 3.68Å; F39-V43 HydrophobicContact CZ-CG2 3.6Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.41Å; I40-V43 PolarHBondContact O-N 3.36Å; E41-V43 PolarHBondContact O-N 3.4Å; V43-T47 VanDerWaalsContact O-CB 3.32Å; V43-T47 WeakPolarHBondContact O-CB 3.4Å; V43-T47 PolarHBondContact O-N 3.39Å; V43-T47 PolarHBondContact O-OG1 2.89Å; V43-M64 HydrophobicContact CG1-CE 3.71Å; V43-L74 HydrophobicContact CG2-CD1 4.31Å; V43-L74 HydrophobicContact CG2-CD2 3.74Å; V43-L77 HydrophobicContact CG2-CD1 4.09Å |
| 44 | L | 94.3 | Very high | 89.2 | Confident | 83 Ų | 83 | 57 Ų | 57 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 179.9 | -71.9 | 176.2 | 0 | 0 | 0 | 112.2 | I40 E41 Q42 R46 T47 D48 L59 | I40-L44 HydrophobicContact CG2-CD1 3.89Å; I40-L44 HydrophobicContact CG2-CG 4.3Å; I40-L44 WeakPolarHBondContact O-CB 3.32Å; I40-L44 VanDerWaalsContact O-CG 3.32Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 3.26Å; E41-L44 PolarHBondContact O-N 3.39Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.43Å; L44-R46 PolarHBondContact O-N 3.47Å; L44-T47 PolarHBondContact O-N 3.25Å; L44-D48 VanDerWaalsContact O-CB 3.32Å; L44-D48 WeakPolarHBondContact O-CB 3.37Å; L44-D48 PolarHBondContact O-N 2.92Å; L44-L59 HydrophobicContact CD2-CD1 4.13Å |
| 45 | L | 93.8 | Very high | 90.2 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 42% | 0.424 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 176.4 | -73.3 | 170.5 | 0 | 0 | 0 | 111.5 | E41 Q42 T47 D48 E49 | E41-L45 HydrophobicContact CG-CD1 4.05Å; E41-L45 HydrophobicContact CG-CG 4.47Å; E41-L45 VanDerWaalsContact O-CG 3.3Å; E41-L45 WeakPolarHBondContact O-CG 3.32Å; E41-L45 PolarHBondContact O-N 3.31Å; Q42-L45 PolarHBondContact O-N 3.49Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-T47 PolarHBondContact O-N 2.99Å; L45-D48 PolarHBondContact O-N 3.24Å; L45-E49 WeakPolarHBondContact O-CG 3.39Å; L45-E49 PolarHBondContact O-N 2.83Å |
| 46 | R | 94.1 | Very high | 90.6 | Very high | 16 Ų | 16 | 55.8 Ų | 55.8 | 6% | 0.06 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 176.8 | -64 | -52.4 | -164.7 | -152.7 | 0.7 | 113.1 | Q42 L44 D48 E49 V50 A67 E71 L74 T101 | Q42-R46 WeakPolarHBondContact O-CG 3.26Å; Q42-R46 PolarHBondContact O-N 3.09Å; Q42-R46 VanDerWaalsContact O-N 3.12Å; L44-R46 PolarHBondContact O-N 3.47Å; R46-D48 VanDerWaalsContact C-N 3.32Å; R46-E49 VanDerWaalsContact CD-OE2 3.22Å; R46-E49 WeakPolarHBondContact CD-OE2 3.32Å; R46-E49 IonicContact CZ-OE2 3.7Å; R46-E49 IonicContact NE-OE2 3.22Å; R46-E49 IonicContact NH1-OE1 2.78Å; R46-E49 PolarHBondContact NH1-OE1 3.25Å; R46-E49 VanDerWaalsContact NH1-OE1 3.13Å; R46-E49 IonicContact NH1-OE2 2.69Å; R46-E49 PolarHBondContact NH1-OE2 3.12Å; R46-V50 WeakPolarHBondContact O-CG2 3.4Å; R46-V50 PolarHBondContact O-N 2.82Å; R46-A67 HydrophobicContact CB-CB 4.01Å; R46-E71 HydrophobicContact CG-CB 4.45Å; R46-E71 HydrophobicContact CG-CG 4.25Å; R46-E71 IonicContact CZ-OE2 3.57Å; R46-E71 IonicContact NE-OE2 2.66Å; R46-E71 PolarHBondContact NE-OE2 3.04Å; R46-E71 IonicContact NH2-OE2 3.41Å; R46-E71 PolarHBondContact NH2-OE2 2.98Å; R46-L74 HydrophobicContact CB-CD1 4.09Å; R46-L74 HydrophobicContact CG-CD1 4.07Å; R46-T101 PolarHBondContact NH1-OG1 3.46Å; R46-T101 VanDerWaalsContact NH1-OG1 3.12Å; R46-T101 PolarHBondContact NH2-OG1 3.27Å |
| 47 | T | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 176.4 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | V43 L44 L45 V50 A51 L59 H63 M64 | V43-T47 VanDerWaalsContact O-CB 3.32Å; V43-T47 WeakPolarHBondContact O-CB 3.4Å; V43-T47 PolarHBondContact O-N 3.39Å; V43-T47 PolarHBondContact O-OG1 2.89Å; L44-T47 PolarHBondContact O-N 3.25Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-T47 PolarHBondContact O-N 2.99Å; T47-V50 PolarHBondContact O-N 3.46Å; T47-A51 PolarHBondContact O-N 2.83Å; T47-L59 HydrophobicContact CG2-CB 4.37Å; T47-L59 HydrophobicContact CG2-CD1 4.25Å; T47-L59 HydrophobicContact CG2-CD2 4.05Å; T47-L59 HydrophobicContact CG2-CG 4.45Å; T47-H63 HydrophobicContact CG2-CB 3.81Å; T47-M64 HydrophobicContact CG2-CB 4.25Å; T47-M64 HydrophobicContact CG2-CG 3.43Å; T47-M64 VanDerWaalsContact CG2-CG 3.43Å; T47-M64 WeakPolarHBondContact OG1-CG 3.4Å |
| 48 | D | 94.2 | Very high | 91.1 | Very high | 71 Ų | 71 | 65.1 Ų | 65.1 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 177.1 | -168.1 | 63 | 0 | 0 | 0 | 111.9 | L44 L45 R46 V50 A51 N52 L59 | L44-D48 VanDerWaalsContact O-CB 3.32Å; L44-D48 WeakPolarHBondContact O-CB 3.37Å; L44-D48 PolarHBondContact O-N 2.92Å; L45-D48 PolarHBondContact O-N 3.24Å; R46-D48 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.13Å; D48-A51 PolarHBondContact O-N 3.02Å; D48-A51 VanDerWaalsContact O-N 3.14Å; D48-N52 VanDerWaalsContact O-CB 3.28Å; D48-N52 WeakPolarHBondContact O-CB 3.47Å; D48-N52 VanDerWaalsContact O-CG 3.26Å; D48-N52 PolarHBondContact O-N 3.4Å; D48-N52 PolarHBondContact O-ND2 2.82Å; D48-N52 VanDerWaalsContact O-ND2 3.09Å; D48-N52 PolarHBondContact OD2-ND2 3.14Å; D48-L59 HydrophobicContact CB-CD2 4.49Å |
| 49 | E | 93.2 | Very high | 91.4 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -52.9 | -43.9 | 171.4 | -72.8 | 168.7 | -179.4 | 0 | 0 | 111.4 | L45 R46 S53 L98 | L45-E49 WeakPolarHBondContact O-CG 3.39Å; L45-E49 PolarHBondContact O-N 2.83Å; R46-E49 VanDerWaalsContact CD-OE2 3.22Å; R46-E49 WeakPolarHBondContact CD-OE2 3.32Å; R46-E49 IonicContact CZ-OE2 3.7Å; R46-E49 IonicContact NE-OE2 3.22Å; R46-E49 IonicContact NH1-OE1 2.78Å; R46-E49 PolarHBondContact NH1-OE1 3.25Å; R46-E49 VanDerWaalsContact NH1-OE1 3.13Å; R46-E49 IonicContact NH1-OE2 2.69Å; R46-E49 PolarHBondContact NH1-OE2 3.12Å; E49-S53 PolarHBondContact O-N 2.92Å; E49-L98 HydrophobicContact CB-CD1 4.44Å; E49-L98 HydrophobicContact CB-CD2 4.41Å; E49-L98 WeakPolarHBondContact OE2-CD1 3.31Å; E49-L98 WeakPolarHBondContact OE2-CD2 3.28Å |
| 50 | V | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.2 | -48.4 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 112 | R46 T47 D48 N52 S53 F54 H63 L66 A67 | R46-V50 WeakPolarHBondContact O-CG2 3.4Å; R46-V50 PolarHBondContact O-N 2.82Å; T47-V50 PolarHBondContact O-N 3.46Å; D48-V50 PolarHBondContact O-N 3.13Å; V50-N52 VanDerWaalsContact C-N 3.33Å; V50-N52 PolarHBondContact O-N 2.69Å; V50-S53 WeakPolarHBondContact O-CB 3.44Å; V50-S53 PolarHBondContact O-N 3.23Å; V50-S53 VanDerWaalsContact O-N 3.16Å; V50-S53 PolarHBondContact O-OG 3.12Å; V50-F54 HydrophobicContact CG1-CD2 4.1Å; V50-F54 HydrophobicContact CG1-CE2 3.56Å; V50-F54 WeakPolarHBondContact O-CD2 3.33Å; V50-F54 PolarHBondContact O-N 2.85Å; V50-H63 HydrophobicContact CG1-CB 4.09Å; V50-L66 HydrophobicContact CG1-CB 4.07Å; V50-L66 HydrophobicContact CG1-CD2 3.66Å; V50-L66 HydrophobicContact CG1-CG 3.99Å; V50-L66 HydrophobicContact CG2-CG 4.46Å; V50-A67 HydrophobicContact CG2-CB 3.91Å |
| 51 | A | 90.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T47 D48 S53 F54 S55 V56 L59 | T47-A51 PolarHBondContact O-N 2.83Å; D48-A51 PolarHBondContact O-N 3.02Å; D48-A51 VanDerWaalsContact O-N 3.14Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 3.13Å; A51-F54 CarbonylContact O-C 3.52Å; A51-F54 WeakPolarHBondContact O-CA 3.37Å; A51-F54 PolarHBondContact O-N 3.3Å; A51-S55 PolarHBondContact O-N 3.37Å; A51-V56 CarbonylContact C-O 3.41Å; A51-V56 PolarHBondContact O-N 2.98Å; A51-L59 HydrophobicContact CB-CD2 3.42Å; A51-L59 VanDerWaalsContact CB-CD2 3.42Å |
| 52 | N | 91.4 | Very high | 91.6 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 174.8 | -73.3 | -37 | 0 | 0 | 0 | 111.7 | D48 V50 F54 S55 | D48-N52 VanDerWaalsContact O-CB 3.28Å; D48-N52 WeakPolarHBondContact O-CB 3.47Å; D48-N52 VanDerWaalsContact O-CG 3.26Å; D48-N52 PolarHBondContact O-N 3.4Å; D48-N52 PolarHBondContact O-ND2 2.82Å; D48-N52 VanDerWaalsContact O-ND2 3.09Å; D48-N52 PolarHBondContact OD2-ND2 3.14Å; V50-N52 VanDerWaalsContact C-N 3.33Å; V50-N52 PolarHBondContact O-N 2.69Å; N52-F54 PolarHBondContact O-N 3.43Å; N52-S55 PolarHBondContact O-N 3.22Å |
| 53 | S | 90.5 | Very high | 91.7 | Very high | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62 | -22.9 | 174 | 79.8 | 0 | 0 | 0 | 0 | 113.4 | E49 V50 A51 I95 | E49-S53 PolarHBondContact O-N 2.92Å; V50-S53 WeakPolarHBondContact O-CB 3.44Å; V50-S53 PolarHBondContact O-N 3.23Å; V50-S53 VanDerWaalsContact O-N 3.16Å; V50-S53 PolarHBondContact O-OG 3.12Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 3.13Å; S53-I95 VanDerWaalsContact OG-CD1 3.27Å; S53-I95 WeakPolarHBondContact OG-CD1 3.33Å |
| 54 | F | 88.4 | Confident | 91.7 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 5% | 0.053 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.1 | 173.1 | -61 | -58.1 | 0 | 0 | 0 | 113.8 | V50 A51 N52 V56 H63 L66 R91 I95 | V50-F54 HydrophobicContact CG1-CD2 4.1Å; V50-F54 HydrophobicContact CG1-CE2 3.56Å; V50-F54 WeakPolarHBondContact O-CD2 3.33Å; V50-F54 PolarHBondContact O-N 2.85Å; A51-F54 CarbonylContact O-C 3.52Å; A51-F54 WeakPolarHBondContact O-CA 3.37Å; A51-F54 PolarHBondContact O-N 3.3Å; N52-F54 PolarHBondContact O-N 3.43Å; F54-V56 HydrophobicContact CB-CG2 3.86Å; F54-V56 WeakPolarHBondContact O-CG2 3.43Å; F54-V56 PolarHBondContact O-N 3.27Å; F54-H63 AromaticContact CD2-CD2 3.76Å; F54-H63 AromaticContact CD2-NE2 3.79Å; F54-H63 AromaticContact CE2-CD2 3.93Å; F54-L66 HydrophobicContact CE2-CD2 3.64Å; F54-L66 HydrophobicContact CZ-CD2 3.47Å; F54-L66 VanDerWaalsContact CZ-CD2 3.47Å; F54-R91 HydrophobicContact CD1-CB 3.79Å; F54-R91 VanDerWaalsContact CD1-CD 3.44Å; F54-R91 HydrophobicContact CD1-CG 4.29Å; F54-R91 HydrophobicContact CE1-CB 3.37Å; F54-R91 HydrophobicContact CE1-CG 4.32Å; F54-R91 PolarHBondContact O-NH1 3.27Å; F54-I95 HydrophobicContact CD1-CD1 4.09Å; F54-I95 HydrophobicContact CE1-CD1 3.34Å; F54-I95 HydrophobicContact CE2-CD1 4.22Å; F54-I95 HydrophobicContact CZ-CD1 3.44Å; F54-I95 VanDerWaalsContact CZ-CD1 3.44Å |
| 55 | S | 90.5 | Very high | 91.7 | Very high | 116 Ų | 116 | 57.4 Ų | 57.4 | 81% | 0.811 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 33 | -172.5 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | A51 N52 | A51-S55 PolarHBondContact O-N 3.37Å; N52-S55 PolarHBondContact O-N 3.22Å |
| 56 | V | 89.4 | Confident | 91.6 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 30% | 0.297 | 29% | 0.29 | S | S | . | . | trans | -104.9 | 131.8 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | A51 F54 T58 | A51-V56 CarbonylContact C-O 3.41Å; A51-V56 PolarHBondContact O-N 2.98Å; F54-V56 HydrophobicContact CB-CG2 3.86Å; F54-V56 WeakPolarHBondContact O-CG2 3.43Å; F54-V56 PolarHBondContact O-N 3.27Å; V56-T58 WeakPolarHBondContact CG1-O 3.22Å | ||
| 57 | R | 88.4 | Confident | 91.6 | Very high | 245 Ų | 245 | 53.2 Ų | 53.2 | 93% | 0.925 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -86 | -15 | 178.3 | -62.8 | -174.9 | 179.8 | -167 | -0.5 | 113.9 | ||
| 58 | T | 89.7 | Confident | 91.6 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 64% | 0.644 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -101.2 | 120.3 | -178.4 | -53.3 | 0 | 0 | 0 | 0 | 109.9 | V56 H63 | V56-T58 WeakPolarHBondContact CG1-O 3.22Å; T58-H63 PolarHBondContact O-CE1 3.06Å; T58-H63 VanDerWaalsContact O-CE1 3.3Å; T58-H63 PolarHBondContact O-ND1 2.87Å |
| 59 | L | 91 | Very high | 91.5 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 37% | 0.366 | 28% | 0.284 | S | S | . | . | trans | -70.2 | 138.6 | 171.5 | -57.9 | -174.1 | 0 | 0 | 0 | 110 | L44 T47 D48 A51 | L44-L59 HydrophobicContact CD2-CD1 4.13Å; T47-L59 HydrophobicContact CG2-CB 4.37Å; T47-L59 HydrophobicContact CG2-CD1 4.25Å; T47-L59 HydrophobicContact CG2-CD2 4.05Å; T47-L59 HydrophobicContact CG2-CG 4.45Å; D48-L59 HydrophobicContact CB-CD2 4.49Å; A51-L59 HydrophobicContact CB-CD2 3.42Å; A51-L59 VanDerWaalsContact CB-CD2 3.42Å | ||
| 60 | S | 91 | Very high | 91.4 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | trans | -126 | 159.1 | 175.3 | 72.6 | 0 | 0 | 0 | 0 | 109.4 | A62 H63 M64 | S60-A62 PolarHBondContact O-N 2.69Å; S60-A62 PolarHBondContact OG-N 3.18Å; S60-H63 PolarHBondContact N-ND1 3.31Å; S60-H63 VanDerWaalsContact N-ND1 3.2Å; S60-H63 WeakPolarHBondContact O-CB 3.17Å; S60-H63 PolarHBondContact O-N 3.36Å; S60-H63 PolarHBondContact OG-N 2.84Å; S60-H63 PolarHBondContact OG-ND1 3.2Å; S60-M64 PolarHBondContact O-N 3.21Å | ||
| 61 | T | 91.6 | Very high | 91.5 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -29.1 | 174.5 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | M64 K65 | T61-M64 WeakPolarHBondContact O-CB 3.25Å; T61-M64 PolarHBondContact O-N 3.48Å; T61-K65 PolarHBondContact O-N 3Å |
| 62 | A | 91.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.9 | -27.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S60 L66 I84 V87 | S60-A62 PolarHBondContact O-N 2.69Å; S60-A62 PolarHBondContact OG-N 3.18Å; A62-L66 PolarHBondContact O-N 3.07Å; A62-L66 VanDerWaalsContact O-N 3.14Å; A62-I84 HydrophobicContact CB-CG2 3.88Å; A62-V87 HydrophobicContact CB-CB 4.47Å; A62-V87 HydrophobicContact CB-CG2 3.14Å |
| 63 | H | 92.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 166.3 | -58.2 | 148.8 | 0 | 0 | 0 | 111.4 | T47 V50 F54 T58 S60 L66 A67 | T47-H63 HydrophobicContact CG2-CB 3.81Å; V50-H63 HydrophobicContact CG1-CB 4.09Å; F54-H63 AromaticContact CD2-CD2 3.76Å; F54-H63 AromaticContact CD2-NE2 3.79Å; F54-H63 AromaticContact CE2-CD2 3.93Å; T58-H63 PolarHBondContact O-CE1 3.06Å; T58-H63 VanDerWaalsContact O-CE1 3.3Å; T58-H63 PolarHBondContact O-ND1 2.87Å; S60-H63 PolarHBondContact N-ND1 3.31Å; S60-H63 VanDerWaalsContact N-ND1 3.2Å; S60-H63 WeakPolarHBondContact O-CB 3.17Å; S60-H63 PolarHBondContact O-N 3.36Å; S60-H63 PolarHBondContact OG-N 2.84Å; S60-H63 PolarHBondContact OG-ND1 3.2Å; H63-L66 PolarHBondContact O-N 3.18Å; H63-A67 WeakPolarHBondContact O-CB 3.3Å; H63-A67 PolarHBondContact O-N 3.5Å |
| 64 | M | 93.5 | Very high | 91.8 | Very high | 57 Ų | 57 | 54 Ų | 54 | 28% | 0.281 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 177.1 | -63.9 | 178.2 | 72.5 | 0 | 0 | 111.5 | V43 T47 S60 T61 L66 A67 A68 F81 | V43-M64 HydrophobicContact CG1-CE 3.71Å; T47-M64 HydrophobicContact CG2-CB 4.25Å; T47-M64 HydrophobicContact CG2-CG 3.43Å; T47-M64 VanDerWaalsContact CG2-CG 3.43Å; T47-M64 WeakPolarHBondContact OG1-CG 3.4Å; S60-M64 PolarHBondContact O-N 3.21Å; T61-M64 WeakPolarHBondContact O-CB 3.25Å; T61-M64 PolarHBondContact O-N 3.48Å; M64-L66 PolarHBondContact O-N 2.93Å; M64-A67 PolarHBondContact O-N 3.29Å; M64-A68 WeakPolarHBondContact O-CB 3.46Å; M64-A68 PolarHBondContact O-N 3.17Å; M64-F81 HydrophobicContact CB-CE1 4.3Å; M64-F81 HydrophobicContact CB-CZ 3.98Å; M64-F81 HydrophobicContact CE-CZ 4.46Å |
| 65 | K | 93.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.1 | -50 | 174.1 | -177 | -176.1 | -176.3 | -172.9 | 0 | 110.9 | T61 A67 A68 E69 F81 I84 | T61-K65 PolarHBondContact O-N 3Å; K65-A67 VanDerWaalsContact C-N 3.33Å; K65-A67 PolarHBondContact O-N 3.03Å; K65-A68 PolarHBondContact O-N 3.3Å; K65-E69 VanDerWaalsContact CE-OE1 3.31Å; K65-E69 WeakPolarHBondContact CE-OE1 3.4Å; K65-E69 WeakPolarHBondContact O-CG 3.48Å; K65-E69 PolarHBondContact O-N 3.23Å; K65-F81 HydrophobicContact CB-CB 4.06Å; K65-F81 HydrophobicContact CB-CD2 4.22Å; K65-F81 HydrophobicContact CB-CG 4.12Å; K65-F81 HydrophobicContact CD-CB 4.21Å; K65-F81 HydrophobicContact CG-CB 3.82Å; K65-F81 HydrophobicContact CG-CD2 4.41Å; K65-F81 HydrophobicContact CG-CG 4.33Å; K65-I84 HydrophobicContact CD-CB 4.25Å; K65-I84 HydrophobicContact CD-CG2 4.37Å; K65-I84 PolarHBondContact NZ-O 3.04Å |
| 66 | L | 92.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -33.9 | 179.4 | -178.8 | 60.1 | 0 | 0 | 0 | 112.6 | V50 F54 A62 H63 M64 E69 R70 R92 | V50-L66 HydrophobicContact CG1-CB 4.07Å; V50-L66 HydrophobicContact CG1-CD2 3.66Å; V50-L66 HydrophobicContact CG1-CG 3.99Å; V50-L66 HydrophobicContact CG2-CG 4.46Å; F54-L66 HydrophobicContact CE2-CD2 3.64Å; F54-L66 HydrophobicContact CZ-CD2 3.47Å; F54-L66 VanDerWaalsContact CZ-CD2 3.47Å; A62-L66 PolarHBondContact O-N 3.07Å; A62-L66 VanDerWaalsContact O-N 3.14Å; H63-L66 PolarHBondContact O-N 3.18Å; M64-L66 PolarHBondContact O-N 2.93Å; L66-E69 PolarHBondContact O-N 2.88Å; L66-R70 WeakPolarHBondContact O-CG 3.46Å; L66-R70 PolarHBondContact O-N 3.28Å; L66-R92 HydrophobicContact CD1-CG 4.31Å; L66-R92 HydrophobicContact CD2-CG 4.43Å |
| 67 | A | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -44 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R46 V50 H63 M64 K65 E69 R70 E71 | R46-A67 HydrophobicContact CB-CB 4.01Å; V50-A67 HydrophobicContact CG2-CB 3.91Å; H63-A67 WeakPolarHBondContact O-CB 3.3Å; H63-A67 PolarHBondContact O-N 3.5Å; M64-A67 PolarHBondContact O-N 3.29Å; K65-A67 VanDerWaalsContact C-N 3.33Å; K65-A67 PolarHBondContact O-N 3.03Å; A67-E69 VanDerWaalsContact C-N 3.33Å; A67-E69 PolarHBondContact O-N 2.9Å; A67-R70 PolarHBondContact O-N 3.12Å; A67-E71 WeakPolarHBondContact O-CB 3.4Å; A67-E71 PolarHBondContact O-N 2.93Å |
| 68 | A | 93.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -33 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M64 K65 R70 L74 N75 L77 L78 F81 | M64-A68 WeakPolarHBondContact O-CB 3.46Å; M64-A68 PolarHBondContact O-N 3.17Å; K65-A68 PolarHBondContact O-N 3.3Å; A68-R70 VanDerWaalsContact C-N 3.3Å; A68-L74 HydrophobicContact CB-CB 4.13Å; A68-N75 PolarHBondContact O-OD1 3.03Å; A68-L77 HydrophobicContact CB-CB 4.47Å; A68-L78 HydrophobicContact CB-CD2 3.93Å; A68-F81 HydrophobicContact CB-CD2 4.12Å; A68-F81 HydrophobicContact CB-CE2 3.72Å |
| 69 | E | 93.1 | Very high | 93 | Very high | 65 Ų | 65 | 46.8 Ų | 46.8 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.1 | -26.3 | 174.2 | -71.6 | 168.6 | -172.5 | 0 | 0 | 113 | K65 L66 A67 L78 R92 | K65-E69 VanDerWaalsContact CE-OE1 3.31Å; K65-E69 WeakPolarHBondContact CE-OE1 3.4Å; K65-E69 WeakPolarHBondContact O-CG 3.48Å; K65-E69 PolarHBondContact O-N 3.23Å; L66-E69 PolarHBondContact O-N 2.88Å; A67-E69 VanDerWaalsContact C-N 3.33Å; A67-E69 PolarHBondContact O-N 2.9Å; E69-L78 HydrophobicContact CB-CD2 4.45Å; E69-L78 HydrophobicContact CG-CD2 3.59Å; E69-R92 IonicContact OE1-CZ 3.2Å; E69-R92 IonicContact OE1-NH1 3.76Å; E69-R92 IonicContact OE1-NH2 2.85Å; E69-R92 PolarHBondContact OE1-NH2 3.14Å; E69-R92 IonicContact OE2-CZ 3.23Å; E69-R92 IonicContact OE2-NH1 3.75Å; E69-R92 PolarHBondContact OE2-NH1 3.31Å; E69-R92 IonicContact OE2-NH2 3.98Å; E69-R92 PolarHBondContact OE2-NH2 2.78Å |
| 70 | R | 91 | Very high | 93.1 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -91.8 | -30.3 | -178.7 | -74.8 | -179 | 179.4 | 166.8 | 5.8 | 114.2 | L66 A67 A68 P72 | L66-R70 WeakPolarHBondContact O-CG 3.46Å; L66-R70 PolarHBondContact O-N 3.28Å; A67-R70 PolarHBondContact O-N 3.12Å; A68-R70 VanDerWaalsContact C-N 3.3Å; R70-P72 WeakPolarHBondContact O-CD 3.48Å |
| 71 | E | 92.9 | Very high | 93.1 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | trans | -104 | 107.3 | -174.9 | 175.4 | 60.4 | -124.1 | 0 | 0 | 109.3 | R46 A67 S73 L74 N75 | R46-E71 HydrophobicContact CG-CB 4.45Å; R46-E71 HydrophobicContact CG-CG 4.25Å; R46-E71 IonicContact CZ-OE2 3.57Å; R46-E71 IonicContact NE-OE2 2.66Å; R46-E71 PolarHBondContact NE-OE2 3.04Å; R46-E71 IonicContact NH2-OE2 3.41Å; R46-E71 PolarHBondContact NH2-OE2 2.98Å; A67-E71 WeakPolarHBondContact O-CB 3.4Å; A67-E71 PolarHBondContact O-N 2.93Å; E71-S73 VanDerWaalsContact CD-OG 3.26Å; E71-S73 WeakPolarHBondContact CG-OG 3.49Å; E71-S73 PolarHBondContact O-N 3.44Å; E71-S73 VanDerWaalsContact O-N 3.07Å; E71-S73 PolarHBondContact OE1-OG 2.61Å; E71-L74 HydrophobicContact CB-CB 4.33Å; E71-L74 HydrophobicContact CB-CD1 4.14Å; E71-L74 HydrophobicContact CB-CG 4.17Å; E71-L74 HydrophobicContact CG-CB 4.28Å; E71-L74 HydrophobicContact CG-CD1 4.01Å; E71-L74 HydrophobicContact CG-CG 3.74Å; E71-L74 PolarHBondContact O-N 3.39Å; E71-N75 PolarHBondContact O-N 3.44Å | ||
| 72 | P | 93 | Very high | 92.9 | Very high | 91 Ų | 91 | 49 Ų | 49 | 59% | 0.591 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -57.4 | -30.2 | -175.4 | -26.9 | 35.4 | 0 | 0 | 0 | 113.9 | R70 L74 N75 | R70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-L74 PolarHBondContact O-N 3.16Å; P72-N75 WeakPolarHBondContact O-CB 3.44Å; P72-N75 PolarHBondContact O-N 3.18Å |
| 73 | S | 92.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -67.5 | -16.4 | 177 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | E71 F76 | E71-S73 VanDerWaalsContact CD-OG 3.26Å; E71-S73 WeakPolarHBondContact CG-OG 3.49Å; E71-S73 PolarHBondContact O-N 3.44Å; E71-S73 VanDerWaalsContact O-N 3.07Å; E71-S73 PolarHBondContact OE1-OG 2.61Å; S73-F76 WeakPolarHBondContact O-CD1 3.13Å; S73-F76 WeakPolarHBondContact O-CE1 3.38Å |
| 74 | L | 93.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -105.3 | -2.4 | 179.3 | -61.1 | -174.5 | 0 | 0 | 0 | 113.6 | F39 V43 R46 A68 E71 P72 F76 L77 | F39-L74 HydrophobicContact CE2-CD2 3.96Å; V43-L74 HydrophobicContact CG2-CD1 4.31Å; V43-L74 HydrophobicContact CG2-CD2 3.74Å; R46-L74 HydrophobicContact CB-CD1 4.09Å; R46-L74 HydrophobicContact CG-CD1 4.07Å; A68-L74 HydrophobicContact CB-CB 4.13Å; E71-L74 HydrophobicContact CB-CB 4.33Å; E71-L74 HydrophobicContact CB-CD1 4.14Å; E71-L74 HydrophobicContact CB-CG 4.17Å; E71-L74 HydrophobicContact CG-CB 4.28Å; E71-L74 HydrophobicContact CG-CD1 4.01Å; E71-L74 HydrophobicContact CG-CG 3.74Å; E71-L74 PolarHBondContact O-N 3.39Å; P72-L74 PolarHBondContact O-N 3.16Å; L74-F76 PolarHBondContact O-N 2.86Å; L74-L77 HydrophobicContact CB-CD1 4.36Å; L74-L77 HydrophobicContact CD2-CD1 4.3Å; L74-L77 VanDerWaalsContact O-CB 3.3Å; L74-L77 WeakPolarHBondContact O-CB 3.35Å; L74-L77 PolarHBondContact O-N 3.44Å |
| 75 | N | 94.1 | Very high | 91.5 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -55 | -28.8 | -178.1 | -83.9 | -15.7 | 0 | 0 | 0 | 113.9 | A68 E71 P72 L77 L78 | A68-N75 PolarHBondContact O-OD1 3.03Å; E71-N75 PolarHBondContact O-N 3.44Å; P72-N75 WeakPolarHBondContact O-CB 3.44Å; P72-N75 PolarHBondContact O-N 3.18Å; N75-L77 PolarHBondContact O-N 3.32Å; N75-L77 VanDerWaalsContact O-N 3.12Å; N75-L78 HydrophobicContact CB-CD1 4.23Å; N75-L78 VanDerWaalsContact O-CB 3.31Å; N75-L78 WeakPolarHBondContact O-CB 3.23Å; N75-L78 VanDerWaalsContact O-CG 3.23Å; N75-L78 WeakPolarHBondContact O-CG 3.4Å; N75-L78 PolarHBondContact O-N 3.47Å |
| 76 | F | 94.8 | Very high | 90.3 | Very high | 130 Ų | 130 | 60.3 Ų | 60.3 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -63.7 | -15.6 | 177.6 | 76.8 | -86.9 | 0 | 0 | 0 | 113.4 | F39 S73 L74 P79 | F39-F76 HydrophobicContact CD2-CZ 4.49Å; F39-F76 HydrophobicContact CE1-CZ 4.5Å; F39-F76 AromaticContact CE2-CE1 3.91Å; F39-F76 HydrophobicContact CE2-CE1 3.91Å; F39-F76 AromaticContact CE2-CZ 3.45Å; F39-F76 HydrophobicContact CE2-CZ 3.45Å; F39-F76 VanDerWaalsContact CE2-CZ 3.45Å; F39-F76 HydrophobicContact CZ-CE1 4.27Å; F39-F76 HydrophobicContact CZ-CE2 4.24Å; F39-F76 AromaticContact CZ-CZ 3.45Å; F39-F76 HydrophobicContact CZ-CZ 3.45Å; F39-F76 VanDerWaalsContact CZ-CZ 3.45Å; S73-F76 WeakPolarHBondContact O-CD1 3.13Å; S73-F76 WeakPolarHBondContact O-CE1 3.38Å; L74-F76 PolarHBondContact O-N 2.86Å; F76-P79 WeakPolarHBondContact O-CD 3.34Å |
| 77 | L | 94 | Very high | 88.8 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -83.4 | -16.7 | 174.9 | -59.4 | 175.4 | 0 | 0 | 0 | 113.1 | F39 V43 A68 L74 N75 P79 L80 F81 | F39-L77 HydrophobicContact CZ-CD1 4.05Å; F39-L77 HydrophobicContact CZ-CD2 4.13Å; F39-L77 HydrophobicContact CZ-CG 4.48Å; V43-L77 HydrophobicContact CG2-CD1 4.09Å; A68-L77 HydrophobicContact CB-CB 4.47Å; L74-L77 HydrophobicContact CB-CD1 4.36Å; L74-L77 HydrophobicContact CD2-CD1 4.3Å; L74-L77 VanDerWaalsContact O-CB 3.3Å; L74-L77 WeakPolarHBondContact O-CB 3.35Å; L74-L77 PolarHBondContact O-N 3.44Å; N75-L77 PolarHBondContact O-N 3.32Å; N75-L77 VanDerWaalsContact O-N 3.12Å; L77-P79 VanDerWaalsContact C-N 3.32Å; L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 WeakPolarHBondContact O-CA 3.46Å; L77-L80 VanDerWaalsContact O-CB 3.25Å; L77-L80 WeakPolarHBondContact O-CB 3.27Å; L77-L80 PolarHBondContact O-N 2.93Å; L77-F81 HydrophobicContact CB-CD2 4.31Å; L77-F81 HydrophobicContact CB-CE2 3.64Å; L77-F81 HydrophobicContact CB-CZ 4.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å |
| 78 | L | 93.4 | Very high | 87 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -53.9 | -39.2 | -177 | -65.5 | 174.1 | 0 | 0 | 0 | 114.1 | A68 E69 N75 L80 F81 A82 | A68-L78 HydrophobicContact CB-CD2 3.93Å; E69-L78 HydrophobicContact CB-CD2 4.45Å; E69-L78 HydrophobicContact CG-CD2 3.59Å; N75-L78 HydrophobicContact CB-CD1 4.23Å; N75-L78 VanDerWaalsContact O-CB 3.31Å; N75-L78 WeakPolarHBondContact O-CB 3.23Å; N75-L78 VanDerWaalsContact O-CG 3.23Å; N75-L78 WeakPolarHBondContact O-CG 3.4Å; N75-L78 PolarHBondContact O-N 3.47Å; L78-L80 PolarHBondContact O-N 2.9Å; L78-F81 PolarHBondContact O-N 3.2Å; L78-A82 PolarHBondContact O-N 3.33Å |
| 79 | P | 94.5 | Very high | 85.1 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -58.3 | -31.5 | 174 | -25.7 | 36.4 | 0 | 0 | 0 | 113.6 | F76 L77 F81 | F76-P79 WeakPolarHBondContact O-CD 3.34Å; L77-P79 VanDerWaalsContact C-N 3.32Å; P79-F81 PolarHBondContact O-N 2.97Å |
| 80 | L | 93.1 | Very high | 83.2 | Confident | 135 Ų | 135 | 75 Ų | 75 | 71% | 0.707 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -72.2 | -18.6 | 177.3 | -54.9 | 175.9 | 0 | 0 | 0 | 112.4 | L77 L78 | L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 WeakPolarHBondContact O-CA 3.46Å; L77-L80 VanDerWaalsContact O-CB 3.25Å; L77-L80 WeakPolarHBondContact O-CB 3.27Å; L77-L80 PolarHBondContact O-N 2.93Å; L78-L80 PolarHBondContact O-N 2.9Å |
| 81 | F | 91.4 | Very high | 81.6 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 10% | 0.096 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -102.9 | 6.5 | -177.5 | -57.4 | -45.3 | 0 | 0 | 0 | 114 | M64 K65 A68 L77 L78 P79 G83 I84 | M64-F81 HydrophobicContact CB-CE1 4.3Å; M64-F81 HydrophobicContact CB-CZ 3.98Å; M64-F81 HydrophobicContact CE-CZ 4.46Å; K65-F81 HydrophobicContact CB-CB 4.06Å; K65-F81 HydrophobicContact CB-CD2 4.22Å; K65-F81 HydrophobicContact CB-CG 4.12Å; K65-F81 HydrophobicContact CD-CB 4.21Å; K65-F81 HydrophobicContact CG-CB 3.82Å; K65-F81 HydrophobicContact CG-CD2 4.41Å; K65-F81 HydrophobicContact CG-CG 4.33Å; A68-F81 HydrophobicContact CB-CD2 4.12Å; A68-F81 HydrophobicContact CB-CE2 3.72Å; L77-F81 HydrophobicContact CB-CD2 4.31Å; L77-F81 HydrophobicContact CB-CE2 3.64Å; L77-F81 HydrophobicContact CB-CZ 4.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L78-F81 PolarHBondContact O-N 3.2Å; P79-F81 PolarHBondContact O-N 2.97Å; F81-G83 PolarHBondContact O-N 3.2Å; F81-G83 VanDerWaalsContact O-N 3.09Å; F81-I84 HydrophobicContact CB-CD1 3.91Å; F81-I84 HydrophobicContact CD1-CD1 3.42Å; F81-I84 VanDerWaalsContact CD1-CD1 3.42Å; F81-I84 HydrophobicContact CE1-CD1 4.32Å; F81-I84 HydrophobicContact CG-CD1 4.05Å; F81-I84 PolarHBondContact O-N 3.5Å |
| 82 | A | 88 | Confident | 79.8 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 72% | 0.719 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L78 | L78-A82 PolarHBondContact O-N 3.33Š|
| 83 | G | 86.5 | Confident | 78.1 | Confident | 77 Ų | 77 | 87 Ų | 87 | 79% | 0.794 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -2.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | F81 | F81-G83 PolarHBondContact O-N 3.2Å; F81-G83 VanDerWaalsContact O-N 3.09Å |
| 84 | I | 85.6 | Confident | 76.5 | Confident | 36 Ų | 36 | 88.9 Ų | 88.9 | 19% | 0.185 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 121.6 | -176.4 | -63.6 | 161.8 | 0 | 0 | 0 | 109.8 | A62 K65 F81 | A62-I84 HydrophobicContact CB-CG2 3.88Å; K65-I84 HydrophobicContact CD-CB 4.25Å; K65-I84 HydrophobicContact CD-CG2 4.37Å; K65-I84 PolarHBondContact NZ-O 3.04Å; F81-I84 HydrophobicContact CB-CD1 3.91Å; F81-I84 HydrophobicContact CD1-CD1 3.42Å; F81-I84 VanDerWaalsContact CD1-CD1 3.42Å; F81-I84 HydrophobicContact CE1-CD1 4.32Å; F81-I84 HydrophobicContact CG-CD1 4.05Å; F81-I84 PolarHBondContact O-N 3.5Å |
| 85 | T | 76.2 | Confident | 75.1 | Confident | 126 Ų | 126 | 89.9 Ų | 89.9 | 77% | 0.773 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 140 | 171.8 | 42.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 86 | E | 67 | Low | 73.6 | Confident | 103 Ų | 103 | 91.6 Ų | 91.6 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 140.4 | -175.6 | -63.1 | -177.4 | -177.3 | 0 | 0 | 111.9 | N88 R92 | E86-N88 PolarHBondContact O-N 3.44Å; E86-R92 IonicContact OE2-CZ 3.13Å; E86-R92 IonicContact OE2-NE 3.99Å |
| 87 | V | 61.4 | Low | 72 | Confident | 36 Ų | 36 | 94.1 Ų | 94.1 | 22% | 0.218 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -66.7 | 119.4 | 165.5 | -167.6 | 0 | 0 | 0 | 0 | 108 | A62 S89 | A62-V87 HydrophobicContact CB-CB 4.47Å; A62-V87 HydrophobicContact CB-CG2 3.14Å; V87-S89 PolarHBondContact O-N 3.44Å |
| 88 | N | 57.1 | Low | 70.3 | Confident | 107 Ų | 107 | 95.4 Ų | 95.4 | 57% | 0.572 | 52% | 0.52 | S | S | * | . | trans | 13 | 95 | 167.9 | -73.4 | -8.7 | 0 | 0 | 0 | 114.8 | E86 E90 R91 | E86-N88 PolarHBondContact O-N 3.44Å; N88-E90 PolarHBondContact O-N 3.09Å; N88-R91 PolarHBondContact O-N 3.01Å | ||
| 89 | S | 53.5 | Low | 68.3 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -53 | -21.6 | -178.2 | 16.1 | 0 | 0 | 0 | 0 | 114.3 | V87 R92 | V87-S89 PolarHBondContact O-N 3.44Å; S89-R92 PolarHBondContact O-N 3.23Å |
| 90 | E | 52 | Low | 66.4 | Low | 165 Ų | 165 | 97.4 Ų | 97.4 | 77% | 0.771 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -35.6 | 174.7 | -73.8 | 171.2 | 174.2 | 0 | 0 | 113.5 | N88 | N88-E90 PolarHBondContact O-N 3.09Å |
| 91 | R | 57.6 | Low | 64.3 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -83.4 | -15 | 179.5 | -64.1 | -170.8 | -166.2 | 176.6 | 0.2 | 113.6 | F54 N88 R93 T94 I95 | F54-R91 HydrophobicContact CD1-CB 3.79Å; F54-R91 VanDerWaalsContact CD1-CD 3.44Å; F54-R91 HydrophobicContact CD1-CG 4.29Å; F54-R91 HydrophobicContact CE1-CB 3.37Å; F54-R91 HydrophobicContact CE1-CG 4.32Å; F54-R91 PolarHBondContact O-NH1 3.27Å; N88-R91 PolarHBondContact O-N 3.01Å; R91-R93 PolarHBondContact O-N 3.38Å; R91-T94 PolarHBondContact O-OG1 2.97Å; R91-I95 WeakPolarHBondContact O-CD1 3.31Å |
| 92 | R | 56.4 | Low | 62.4 | Low | 59 Ų | 59 | 102.2 Ų | 102.2 | 22% | 0.223 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -62 | -30.4 | 179.1 | -80.4 | -177.7 | 172.3 | -131.8 | -8.9 | 112.5 | L66 E69 E86 S89 T94 | L66-R92 HydrophobicContact CD1-CG 4.31Å; L66-R92 HydrophobicContact CD2-CG 4.43Å; E69-R92 IonicContact OE1-CZ 3.2Å; E69-R92 IonicContact OE1-NH1 3.76Å; E69-R92 IonicContact OE1-NH2 2.85Å; E69-R92 PolarHBondContact OE1-NH2 3.14Å; E69-R92 IonicContact OE2-CZ 3.23Å; E69-R92 IonicContact OE2-NH1 3.75Å; E69-R92 PolarHBondContact OE2-NH1 3.31Å; E69-R92 IonicContact OE2-NH2 3.98Å; E69-R92 PolarHBondContact OE2-NH2 2.78Å; E86-R92 IonicContact OE2-CZ 3.13Å; E86-R92 IonicContact OE2-NE 3.99Å; S89-R92 PolarHBondContact O-N 3.23Å; R92-T94 PolarHBondContact O-N 2.88Å |
| 93 | R | 57.2 | Low | 60.5 | Low | 224 Ų | 224 | 102.2 Ų | 102.2 | 85% | 0.845 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -16.3 | -172.5 | -64.3 | -175.6 | -177 | 144.4 | 1.2 | 114.8 | R91 | R91-R93 PolarHBondContact O-N 3.38Š|
| 94 | T | 59.3 | Low | 58.2 | Low | 115 Ų | 115 | 103.3 Ų | 103.3 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 3.4 | -173.2 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | R91 R92 | R91-T94 PolarHBondContact O-OG1 2.97Å; R92-T94 PolarHBondContact O-N 2.88Å |
| 95 | I | 63.8 | Low | 56.4 | Low | 29 Ų | 29 | 110 Ų | 110 | 15% | 0.149 | 58% | 0.578 | C | S | . | * | S | Bend | trans | -101.3 | 124.5 | -170.8 | -54.1 | 166.8 | 0 | 0 | 0 | 110 | S53 F54 R91 | S53-I95 VanDerWaalsContact OG-CD1 3.27Å; S53-I95 WeakPolarHBondContact OG-CD1 3.33Å; F54-I95 HydrophobicContact CD1-CD1 4.09Å; F54-I95 HydrophobicContact CE1-CD1 3.34Å; F54-I95 HydrophobicContact CE2-CD1 4.22Å; F54-I95 HydrophobicContact CZ-CD1 3.44Å; F54-I95 VanDerWaalsContact CZ-CD1 3.44Å; R91-I95 WeakPolarHBondContact O-CD1 3.31Å |
| 96 | P | 62.4 | Low | 54.7 | Low | 106 Ų | 106 | 107.5 Ų | 107.5 | 69% | 0.688 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 142.9 | 176.9 | -24.2 | 33.6 | 0 | 0 | 0 | 112.5 | L98 | P96-L98 PolarHBondContact O-N 3.22Š|
| 97 | E | 61.7 | Low | 53.3 | Low | 182 Ų | 182 | 107.4 Ų | 107.4 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 126.1 | 172.7 | -169.3 | 173.6 | 175.6 | 0 | 0 | 109.7 | S99 | E97-S99 PolarHBondContact O-N 2.66Š|
| 98 | L | 58.3 | Low | 52.4 | Low | 44 Ų | 44 | 112.5 Ų | 112.5 | 23% | 0.23 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -73.3 | 120.8 | 178.2 | -68.8 | 168.6 | 0 | 0 | 0 | 108.2 | E49 P96 | E49-L98 HydrophobicContact CB-CD1 4.44Å; E49-L98 HydrophobicContact CB-CD2 4.41Å; E49-L98 WeakPolarHBondContact OE2-CD1 3.31Å; E49-L98 WeakPolarHBondContact OE2-CD2 3.28Å; P96-L98 PolarHBondContact O-N 3.22Å |
| 99 | S | 52.3 | Low | 51.6 | Low | 95 Ų | 95 | 118 Ų | 118 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 139.5 | 173.9 | -38.7 | 0 | 0 | 0 | 0 | 109.3 | E97 T101 | E97-S99 PolarHBondContact O-N 2.66Å; S99-T101 PolarHBondContact O-N 3.28Å |
| 100 | P | 52.9 | Low | 50.9 | Low | 104 Ų | 104 | 122.7 Ų | 122.7 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 118.2 | 175.3 | 22.5 | -30.7 | 0 | 0 | 0 | 108.5 | E102 | P100-E102 PolarHBondContact O-N 3.45Å; P100-E102 VanDerWaalsContact O-N 3.13Å |
| 101 | T | 50.4 | Low | 50.6 | Low | 79 Ų | 79 | 126.2 Ų | 126.2 | 49% | 0.485 | 64% | 0.635 | S | S | . | * | trans | -73.2 | 109.3 | 172.6 | -58 | 0 | 0 | 0 | 0 | 106.3 | R46 S99 T103 | R46-T101 PolarHBondContact NH1-OG1 3.46Å; R46-T101 VanDerWaalsContact NH1-OG1 3.12Å; R46-T101 PolarHBondContact NH2-OG1 3.27Å; S99-T101 PolarHBondContact O-N 3.28Å; T101-T103 PolarHBondContact O-N 3.29Å | ||
| 102 | E | 50.5 | Low | 50.1 | Low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | trans | -55.7 | 104.9 | 165.4 | -65.4 | -173.5 | 164.6 | 0 | 0 | 107.3 | P100 S104 | P100-E102 PolarHBondContact O-N 3.45Å; P100-E102 VanDerWaalsContact O-N 3.13Å; E102-S104 PolarHBondContact O-N 3.28Å | ||
| 103 | T | 47.7 | Very low | 49.6 | Very low | 87 Ų | 87 | 139 Ų | 139 | 53% | 0.534 | 69% | 0.689 | S | S | . | * | trans | -64.8 | 81.5 | 165.4 | 36.9 | 0 | 0 | 0 | 0 | 107.5 | T101 F105 | T101-T103 PolarHBondContact O-N 3.29Å; T103-F105 VanDerWaalsContact C-N 3.3Å; T103-F105 PolarHBondContact O-N 2.91Å | ||
| 104 | S | 39.2 | Very low | 48.9 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | -59.8 | 97 | 161.8 | 166.5 | 0 | 0 | 0 | 0 | 106.5 | E102 P106 | E102-S104 PolarHBondContact O-N 3.28Å; S104-P106 WeakPolarHBondContact O-CD 3.47Å | ||
| 105 | F | 46.8 | Very low | 48.5 | Very low | 175 Ų | 175 | 142 Ų | 142 | 77% | 0.768 | 69% | 0.688 | S | S | * | * | trans | -53.4 | 126.3 | 156.2 | -70.1 | -84.2 | 0 | 0 | 0 | 105.7 | T103 A107 | T103-F105 VanDerWaalsContact C-N 3.3Å; T103-F105 PolarHBondContact O-N 2.91Å; F105-A107 PolarHBondContact O-N 2.96Å | ||
| 106 | P | 41.3 | Very low | 47.7 | Very low | 75 Ų | 75 | 150.2 Ų | 150.2 | 49% | 0.487 | 72% | 0.722 | S | S | . | * | trans | -64 | 95.4 | 170.3 | 25.4 | -30 | 0 | 0 | 0 | 106.5 | S104 E108 | S104-P106 WeakPolarHBondContact O-CD 3.47Å; P106-E108 HydrophobicContact CB-CB 4.06Å; P106-E108 PolarHBondContact O-N 3.32Å | ||
| 107 | A | 37.6 | Very low | 46.8 | Very low | 101 Ų | 101 | 153.7 Ų | 153.7 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -69.6 | 56.5 | 158 | 0 | 0 | 0 | 0 | 0 | 107.3 | F105 R109 | F105-A107 PolarHBondContact O-N 2.96Å; A107-R109 VanDerWaalsContact C-N 3.33Å; A107-R109 PolarHBondContact O-N 3.43Å | ||
| 108 | E | 41.8 | Very low | 46.1 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | trans | -83.5 | 88.6 | -175.4 | -159.2 | 137.9 | -147.8 | 0 | 0 | 107.5 | P106 H110 | P106-E108 HydrophobicContact CB-CB 4.06Å; P106-E108 PolarHBondContact O-N 3.32Å; E108-H110 PolarHBondContact O-N 2.99Å | ||
| 109 | R | 40.1 | Very low | 45.6 | Very low | 221 Ų | 221 | 156.9 Ų | 156.9 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | 48.9 | 61.7 | 131.3 | -66.3 | 177.9 | 169.4 | 177.2 | -1.9 | 115.7 | A107 | A107-R109 VanDerWaalsContact C-N 3.33Å; A107-R109 PolarHBondContact O-N 3.43Å | ||
| 110 | H | 40.2 | Very low | 45.4 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -113.8 | 57.3 | 149.3 | -90.8 | -66.4 | 0 | 0 | 0 | 111.3 | E108 | E108-H110 PolarHBondContact O-N 2.99Š| ||
| 111 | R | 45.8 | Very low | 45 | Very low | 239 Ų | 239 | 163.4 Ų | 163.4 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -102.5 | 16.2 | 170.2 | -134.9 | 175.6 | -172.8 | 167.4 | 1.4 | 113.7 | ||||
| 112 | K | 47.4 | Very low | 44.9 | Very low | 206 Ų | 206 | 164.3 Ų | 164.3 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -128.5 | 18.8 | -177.5 | -95.4 | -174.8 | 179.6 | -177.9 | 0 | 117.2 | ||||
| 113 | R | 44.2 | Very low | 44.7 | Very low | 239 Ų | 239 | 160.3 Ų | 160.3 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -104.6 | 50.8 | 157.7 | -85.2 | -175.6 | 159.8 | -175.9 | -6.2 | 110.5 | ||||
| 114 | R | 44.1 | Very low | 44.6 | Very low | 198 Ų | 198 | 161.1 Ų | 161.1 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -85 | 123.1 | 165.5 | -127.7 | 170 | 81.8 | 157 | 2.5 | 106.3 | ||||
| 115 | R | 49.8 | Very low | 45 | Very low | 205 Ų | 205 | 163.6 Ų | 163.6 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 66.3 | 57.7 | 154.6 | -56.8 | 171.6 | 93.5 | 133.1 | -2.5 | 118.2 | ||
| 116 | K | 46.9 | Very low | 44.9 | Very low | 201 Ų | 201 | 163.4 Ų | 163.4 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -144.6 | 22.5 | 156.1 | -144.2 | -175 | 179.2 | -173 | 0 | 115.3 | ||
| 117 | L | 43.6 | Very low | 44.9 | Very low | 178 Ų | 178 | 163.9 Ų | 163.9 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -129.9 | 60.4 | 165 | -90.4 | 153.9 | 0 | 0 | 0 | 106.8 | ||
| 118 | L | 46.3 | Very low | 45 | Very low | 139 Ų | 139 | 162.4 Ų | 162.4 | 73% | 0.728 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -148.3 | 120.6 | 167.8 | -95.8 | 168.3 | 0 | 0 | 0 | 101.5 | ||
| 119 | L | 49.1 | Very low | 45.1 | Very low | 155 Ų | 155 | 164.5 Ų | 164.5 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | S | Bend | trans | 79.3 | 89.3 | -162.1 | -66.7 | 75.2 | 0 | 0 | 0 | 112.8 | ||
| 120 | D | 47.5 | Very low | 45.5 | Very low | 156 Ų | 156 | 158.3 Ų | 158.3 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -167 | -8.4 | 141.5 | -91.9 | -17.5 | 0 | 0 | 0 | 112.7 | ||
| 121 | D | 44.4 | Very low | 45.9 | Very low | 179 Ų | 179 | 159.3 Ų | 159.3 | 96% | 0.957 | 84% | 0.837 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 23.9 | 172.3 | -76.9 | -31.4 | 0 | 0 | 0 | 114.7 | ||
| 122 | A | 48 | Very low | 46.3 | Very low | 99 Ų | 99 | 153.7 Ų | 153.7 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 14.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 123 | A | 46.2 | Very low | 46.4 | Very low | 95 Ų | 95 | 153.2 Ų | 153.2 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -139.2 | 63.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 124 | A | 46.9 | Very low | 46.8 | Very low | 103 Ų | 103 | 154.8 Ų | 154.8 | 85% | 0.851 | 85% | 0.853 | S | S | * | * | trans | -141.2 | 48.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 125 | N | 46.9 | Very low | 46.9 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -160.5 | 73.2 | 166.5 | -150.2 | 18.9 | 0 | 0 | 0 | 111.8 | ||
| 126 | N | 45.3 | Very low | 46.8 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 91% | 0.914 | 86% | 0.863 | S | S | * | * | trans | 171.5 | 115 | 149 | -103.6 | -13.8 | 0 | 0 | 0 | 110.1 | ||||
| 127 | G | 41.4 | Very low | 46.8 | Very low | 85 Ų | 85 | 147.1 Ų | 147.1 | 88% | 0.876 | 86% | 0.862 | S | S | * | * | trans | 157.6 | 104.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 128 | G | 39 | Very low | 46.9 | Very low | 71 Ų | 71 | 145.2 Ų | 145.2 | 73% | 0.732 | 86% | 0.858 | S | S | * | * | trans | 108.7 | 77.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 129 | H | 43.1 | Very low | 47 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 86% | 0.861 | 87% | 0.866 | S | S | * | * | trans | -139.6 | 92.5 | 138.8 | -118.4 | -43.7 | 0 | 0 | 0 | 104.6 | ||||
| 130 | S | 49.8 | Very low | 46.8 | Very low | 92 Ų | 92 | 145 Ų | 145 | 64% | 0.643 | 87% | 0.87 | S | S | * | * | 52.4 | 83.3 | 81.7 | -44.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 131 | E | 47.9 | Very low | 46.8 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 91% | 0.911 | 87% | 0.872 | S | S | * | * | 67.7 | 103.7 | 100.1 | -78.4 | -176.1 | 172 | 0 | 0 | 113.6 | |||||
| 132 | S | 54.1 | Low | 47 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 87% | 0.865 | S | S | * | * | trans | -155.2 | 101.4 | 146 | 53.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 133 | E | 49.5 | Very low | 46.9 | Very low | 195 Ų | 195 | 145.1 Ų | 145.1 | 91% | 0.911 | 87% | 0.869 | S | S | * | * | trans | -73.6 | 124 | 166.3 | -68.8 | -179.8 | 136.9 | 0 | 0 | 109.5 | ||||
| 134 | E | 52.7 | Low | 46.9 | Very low | 273 Ų | 273 | 149.6 Ų | 149.6 | 100% | 1.276 | 88% | 0.877 | S | S | * | * | trans | 173.1 | 0 | 131.5 | -99.2 | -172.6 | 160.8 | 0 | 0 | 109.7 |
Retrieved 134 of 134 residues in 171.6 ms
(Link to these results)