| 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 | 39.5 | Very low | 39 | Very low | 247 Ų | 247 | 159.5 Ų | 159.5 | 100% | 1.217 | 81% | 0.805 | S | S | * | * | 0 | 114.7 | 0 | -74 | 171.7 | 173.1 | 0 | 0 | 107.9 | N3 | M1-N3 PolarHBondContact O-N 2.97Š| |||
| 2 | A | 38.9 | Very low | 39.2 | Very low | 96 Ų | 96 | 154.8 Ų | 154.8 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -71.9 | 124.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V4 | A2-V4 PolarHBondContact O-N 2.93Š| ||
| 3 | N | 37.1 | Very low | 39.3 | Very low | 148 Ų | 148 | 155.2 Ų | 155.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -80.4 | 96.9 | 174.5 | -167.6 | -11.1 | 0 | 0 | 0 | 108.7 | M1 Q5 | M1-N3 PolarHBondContact O-N 2.97Å; N3-Q5 PolarHBondContact O-N 3.49Å | ||
| 4 | V | 40.6 | Very low | 39.5 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -80.9 | 95.6 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | A2 | A2-V4 PolarHBondContact O-N 2.93Š| ||
| 5 | Q | 38.2 | Very low | 39.3 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -49.7 | 129.7 | 163 | -71.5 | -77.4 | 3.3 | 0 | 0 | 109.5 | N3 K7 | N3-Q5 PolarHBondContact O-N 3.49Å; Q5-K7 PolarHBondContact O-N 2.99Å | ||
| 6 | P | 39.5 | Very low | 39.3 | Very low | 108 Ų | 108 | 148.8 Ų | 148.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -68.2 | 101.7 | 169.2 | 27.9 | -28.7 | 0 | 0 | 0 | 106.8 | I8 | P6-I8 PolarHBondContact O-N 3.18Š| ||
| 7 | K | 33.7 | Very low | 39.5 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -49.9 | 109 | 167.9 | -93.9 | -173.5 | 175.9 | 178.6 | 0 | 107.1 | Q5 K9 | Q5-K7 PolarHBondContact O-N 2.99Å; K7-K9 PolarHBondContact O-N 3.09Å | ||
| 8 | I | 44.6 | Very low | 39.6 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -60.5 | 93.5 | 168 | -65.8 | 166.5 | 0 | 0 | 0 | 105.5 | P6 H10 | P6-I8 PolarHBondContact O-N 3.18Å; I8-H10 VanDerWaalsContact C-N 3.31Å; I8-H10 PolarHBondContact O-N 3.23Å | ||
| 9 | K | 36.5 | Very low | 39.6 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | -69.4 | 97.3 | 176.1 | -168 | 165.1 | -176.3 | 172.5 | 0 | 105 | K7 R11 | K7-K9 PolarHBondContact O-N 3.09Å; K9-R11 HydrophobicContact CG-CG 4.32Å; K9-R11 WeakPolarHBondContact O-CG 3.2Å; K9-R11 PolarHBondContact O-N 2.94Å | ||
| 10 | H | 44 | Very low | 39.5 | Very low | 179 Ų | 179 | 141 Ų | 141 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | -52.9 | 92.2 | 164.1 | -104.4 | -60.5 | 0 | 0 | 0 | 107 | I8 P12 | I8-H10 VanDerWaalsContact C-N 3.31Å; I8-H10 PolarHBondContact O-N 3.23Å; H10-P12 WeakPolarHBondContact O-CD 3.48Å | ||
| 11 | R | 36.2 | Very low | 39.7 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | trans | -78.6 | 116.1 | 172.6 | -64.8 | -144.9 | -173.8 | -143.5 | 7.6 | 105.3 | K9 F13 | K9-R11 HydrophobicContact CG-CG 4.32Å; K9-R11 WeakPolarHBondContact O-CG 3.2Å; K9-R11 PolarHBondContact O-N 2.94Å; R11-F13 PolarHBondContact O-N 3.24Å | ||
| 12 | P | 42.1 | Very low | 39.8 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | trans | -56.5 | 135.2 | 176.1 | 22.4 | -29.8 | 0 | 0 | 0 | 107.6 | H10 C14 | H10-P12 WeakPolarHBondContact O-CD 3.48Å; P12-C14 PolarHBondContact O-N 2.94Å | ||
| 13 | F | 40.5 | Very low | 40 | Very low | 161 Ų | 161 | 133 Ų | 133 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 28 | 178.2 | -142.5 | -95.5 | 0 | 0 | 0 | 112 | R11 | R11-F13 PolarHBondContact O-N 3.24Š|
| 14 | C | 41 | Very low | 40.2 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 72% | 0.716 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -7.2 | 179.2 | -75.4 | 0 | 0 | 0 | 0 | 113.1 | P12 | P12-C14 PolarHBondContact O-N 2.94Š|
| 15 | F | 37.5 | Very low | 40.5 | Very low | 206 Ų | 206 | 130.8 Ų | 130.8 | 90% | 0.904 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -126.9 | 37.1 | 179.8 | -101.5 | -87.3 | 0 | 0 | 0 | 112.8 | ||
| 16 | S | 38.8 | Very low | 40.6 | Very low | 51 Ų | 51 | 128.8 Ų | 128.8 | 36% | 0.357 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -111.3 | 142.4 | 167.8 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | K18 G19 | S16-K18 PolarHBondContact O-N 2.84Å; S16-G19 PolarHBondContact O-N 3.05Å |
| 17 | V | 42.4 | Very low | 40.9 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.9 | -21.5 | -176.8 | -147 | 0 | 0 | 0 | 0 | 113.7 | G19 V21 | V17-G19 VanDerWaalsContact C-N 3.34Å; V17-G19 PolarHBondContact O-N 3.15Å; V17-V21 WeakPolarHBondContact O-CG2 3.24Å |
| 18 | K | 42.1 | Very low | 41.6 | Very low | 136 Ų | 136 | 122 Ų | 122 | 59% | 0.591 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.3 | -22 | 170.9 | -72.9 | 175.8 | 173.9 | 172.3 | 0 | 115.5 | S16 | S16-K18 PolarHBondContact O-N 2.84Å |
| 19 | G | 39.3 | Very low | 41.6 | Very low | 27 Ų | 27 | 117.7 Ų | 117.7 | 28% | 0.278 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -78.5 | -30.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S16 V17 K22 M23 | S16-G19 PolarHBondContact O-N 3.05Å; V17-G19 VanDerWaalsContact C-N 3.34Å; V17-G19 PolarHBondContact O-N 3.15Å; G19-K22 WeakPolarHBondContact O-CB 2.94Å; G19-K22 PolarHBondContact O-N 3.19Å; G19-M23 PolarHBondContact O-N 2.92Å |
| 20 | H | 37.2 | Very low | 42.2 | Very low | 149 Ų | 149 | 114.3 Ų | 114.3 | 69% | 0.69 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.4 | -37.2 | 177 | -80.8 | 62.7 | 0 | 0 | 0 | 111.7 | K22 M23 L24 | H20-K22 PolarHBondContact O-N 2.83Å; H20-M23 PolarHBondContact O-N 2.88Å; H20-L24 VanDerWaalsContact O-CB 3.29Å; H20-L24 WeakPolarHBondContact O-CB 3.44Å; H20-L24 PolarHBondContact O-N 2.75Å |
| 21 | V | 44.3 | Very low | 42.4 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 53% | 0.527 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.2 | -31.2 | 173.8 | -145.3 | 0 | 0 | 0 | 0 | 111.7 | V17 R25 | V17-V21 WeakPolarHBondContact O-CG2 3.24Å; V21-R25 WeakPolarHBondContact O-CB 3.48Å; V21-R25 PolarHBondContact O-N 2.72Å; V21-R25 VanDerWaalsContact O-N 3.15Å |
| 22 | K | 41.1 | Very low | 42.9 | Very low | 108 Ų | 108 | 102.9 Ų | 102.9 | 47% | 0.47 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.9 | -34.7 | 178.1 | -145.1 | 177.4 | -171 | -169.2 | 0 | 112.4 | G19 H20 L26 | G19-K22 WeakPolarHBondContact O-CB 2.94Å; G19-K22 PolarHBondContact O-N 3.19Å; H20-K22 PolarHBondContact O-N 2.83Å; K22-L26 PolarHBondContact O-N 3.07Å |
| 23 | M | 42.3 | Very low | 43.1 | Very low | 121 Ų | 121 | 101.8 Ų | 101.8 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -76.4 | -35.4 | 173.5 | -116.8 | -127 | 70.8 | 0 | 0 | 112.6 | G19 H20 R25 L26 A27 | G19-M23 PolarHBondContact O-N 2.92Å; H20-M23 PolarHBondContact O-N 2.88Å; M23-R25 VanDerWaalsContact C-N 3.33Å; M23-L26 WeakPolarHBondContact O-CB 3.34Å; M23-L26 PolarHBondContact O-N 2.88Å; M23-A27 WeakPolarHBondContact O-CB 3.35Å; M23-A27 PolarHBondContact O-N 2.74Å |
| 24 | L | 43 | Very low | 43.2 | Very low | 115 Ų | 115 | 97.8 Ų | 97.8 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -39.9 | 174.3 | -173.6 | 66.5 | 0 | 0 | 0 | 111.1 | H20 A27 L28 | H20-L24 VanDerWaalsContact O-CB 3.29Å; H20-L24 WeakPolarHBondContact O-CB 3.44Å; H20-L24 PolarHBondContact O-N 2.75Å; L24-A27 PolarHBondContact O-N 2.89Å; L24-L28 WeakPolarHBondContact O-CB 3.26Å; L24-L28 PolarHBondContact O-N 2.82Å |
| 25 | R | 45.1 | Very low | 43.4 | Very low | 112 Ų | 112 | 98.3 Ų | 98.3 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 172.4 | -171.1 | 177 | -68.8 | 172.5 | -7.1 | 111.7 | V21 M23 A27 L28 T29 D80 | V21-R25 WeakPolarHBondContact O-CB 3.48Å; V21-R25 PolarHBondContact O-N 2.72Å; V21-R25 VanDerWaalsContact O-N 3.15Å; M23-R25 VanDerWaalsContact C-N 3.33Å; R25-A27 PolarHBondContact O-N 3Å; R25-L28 PolarHBondContact O-N 3.13Å; R25-T29 PolarHBondContact O-N 3.15Å; R25-T29 PolarHBondContact O-OG1 3.32Å; R25-D80 IonicContact CZ-OD1 3.14Å; R25-D80 IonicContact CZ-OD2 3.26Å; R25-D80 VanDerWaalsContact CZ-OD2 3.26Å; R25-D80 IonicContact NH1-OD1 2.65Å; R25-D80 PolarHBondContact NH1-OD1 3Å; R25-D80 IonicContact NH1-OD2 2.89Å; R25-D80 PolarHBondContact NH1-OD2 3.37Å; R25-D80 IonicContact NH2-OD1 3.24Å; R25-D80 PolarHBondContact NH2-OD1 2.94Å; R25-D80 IonicContact NH2-OD2 2.75Å; R25-D80 PolarHBondContact NH2-OD2 3.24Å |
| 26 | L | 41.8 | Very low | 43.7 | Very low | 105 Ų | 105 | 92.2 Ų | 92.2 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 175.2 | -172.4 | 74.5 | 0 | 0 | 0 | 112 | K22 M23 T29 V30 | K22-L26 PolarHBondContact O-N 3.07Å; M23-L26 WeakPolarHBondContact O-CB 3.34Å; M23-L26 PolarHBondContact O-N 2.88Å; L26-T29 PolarHBondContact O-N 3.15Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.37Å; L26-V30 PolarHBondContact O-N 3.48Å |
| 27 | A | 46.3 | Very low | 44 | Very low | 42 Ų | 42 | 96.1 Ų | 96.1 | 35% | 0.347 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | M23 L24 R25 T29 V30 T31 | M23-A27 WeakPolarHBondContact O-CB 3.35Å; M23-A27 PolarHBondContact O-N 2.74Å; L24-A27 PolarHBondContact O-N 2.89Å; R25-A27 PolarHBondContact O-N 3Å; A27-T29 PolarHBondContact O-N 2.89Å; A27-V30 PolarHBondContact O-N 3.02Å; A27-T31 WeakPolarHBondContact O-CB 3.4Å; A27-T31 PolarHBondContact O-N 2.94Å; A27-T31 PolarHBondContact O-OG1 2.83Å |
| 28 | L | 48.1 | Very low | 44 | Very low | 124 Ų | 124 | 96 Ų | 96 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 176.9 | -131 | 81.6 | 0 | 0 | 0 | 112.1 | L24 R25 S32 | L24-L28 WeakPolarHBondContact O-CB 3.26Å; L24-L28 PolarHBondContact O-N 2.82Å; R25-L28 PolarHBondContact O-N 3.13Å; L28-S32 PolarHBondContact O-N 3.25Å; L28-S32 VanDerWaalsContact O-N 3.1Å |
| 29 | T | 44.2 | Very low | 44.1 | Very low | 64 Ų | 64 | 93 Ų | 93 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.6 | -36.1 | 178.6 | -39.4 | 0 | 0 | 0 | 0 | 112.2 | R25 L26 A27 M33 | R25-T29 PolarHBondContact O-N 3.15Å; R25-T29 PolarHBondContact O-OG1 3.32Å; L26-T29 PolarHBondContact O-N 3.15Å; A27-T29 PolarHBondContact O-N 2.89Å; T29-M33 PolarHBondContact O-N 3.44Å |
| 30 | V | 49.4 | Very low | 44.9 | Very low | 85 Ų | 85 | 100.8 Ų | 100.8 | 52% | 0.515 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | L26 A27 S32 M33 T34 | L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.37Å; L26-V30 PolarHBondContact O-N 3.48Å; A27-V30 PolarHBondContact O-N 3.02Å; V30-S32 VanDerWaalsContact C-N 3.33Å; V30-S32 PolarHBondContact O-N 3.41Å; V30-M33 WeakPolarHBondContact O-CB 3.29Å; V30-M33 PolarHBondContact O-N 2.96Å; V30-T34 PolarHBondContact O-N 3.14Å; V30-T34 VanDerWaalsContact O-N 3.12Å; V30-T34 PolarHBondContact O-OG1 2.87Å; V30-T34 VanDerWaalsContact O-OG1 3.08Å |
| 31 | T | 47.8 | Very low | 45.2 | Very low | 87 Ų | 87 | 97.5 Ų | 97.5 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -35.7 | 176 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | A27 L35 | A27-T31 WeakPolarHBondContact O-CB 3.4Å; A27-T31 PolarHBondContact O-N 2.94Å; A27-T31 PolarHBondContact O-OG1 2.83Å; T31-L35 HydrophobicContact CG2-CD1 4.44Å; T31-L35 WeakPolarHBondContact O-CD1 3.46Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 3.16Å |
| 32 | S | 47.4 | Very low | 45.4 | Very low | 47 Ų | 47 | 97.2 Ų | 97.2 | 33% | 0.329 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.3 | -36.5 | 173.9 | -164.7 | 0 | 0 | 0 | 0 | 113 | L28 V30 L35 F36 | L28-S32 PolarHBondContact O-N 3.25Å; L28-S32 VanDerWaalsContact O-N 3.1Å; V30-S32 VanDerWaalsContact C-N 3.33Å; V30-S32 PolarHBondContact O-N 3.41Å; S32-L35 PolarHBondContact O-N 3.26Å; S32-F36 PolarHBondContact O-N 3.39Å |
| 33 | M | 44.8 | Very low | 45.9 | Very low | 79 Ų | 79 | 99.8 Ų | 99.8 | 39% | 0.389 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 174 | -98.7 | -104.4 | 140.2 | 0 | 0 | 112.5 | T29 V30 F36 I37 V53 | T29-M33 PolarHBondContact O-N 3.44Å; V30-M33 WeakPolarHBondContact O-CB 3.29Å; V30-M33 PolarHBondContact O-N 2.96Å; M33-F36 PolarHBondContact O-N 3.4Å; M33-I37 WeakPolarHBondContact O-CD1 3.39Å; M33-I37 WeakPolarHBondContact O-CG1 3.49Å; M33-I37 PolarHBondContact O-N 3.39Å; M33-V53 HydrophobicContact CE-CG2 4.09Å |
| 34 | T | 43.8 | Very low | 46.6 | Very low | 76 Ų | 76 | 98 Ų | 98 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.3 | -33.6 | 179.3 | -50.2 | 0 | 0 | 0 | 0 | 112.7 | V30 F36 I38 | V30-T34 PolarHBondContact O-N 3.14Å; V30-T34 VanDerWaalsContact O-N 3.12Å; V30-T34 PolarHBondContact O-OG1 2.87Å; V30-T34 VanDerWaalsContact O-OG1 3.08Å; T34-F36 VanDerWaalsContact C-N 3.34Å; T34-I38 WeakPolarHBondContact O-CD1 3.32Å; T34-I38 WeakPolarHBondContact O-CG1 3.48Å |
| 35 | L | 44.1 | Very low | 47 | Very low | 117 Ų | 117 | 96.7 Ų | 96.7 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.1 | -29.8 | 177 | -74.1 | 165.2 | 0 | 0 | 0 | 112.7 | T31 S32 | T31-L35 HydrophobicContact CG2-CD1 4.44Å; T31-L35 WeakPolarHBondContact O-CD1 3.46Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 3.16Å; S32-L35 PolarHBondContact O-N 3.26Å |
| 36 | F | 43.6 | Very low | 47.4 | Very low | 78 Ų | 78 | 96.9 Ų | 96.9 | 34% | 0.342 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -77 | -28.8 | 177.5 | -110.6 | -82.7 | 0 | 0 | 0 | 114.1 | S32 M33 T34 I38 T49 E52 | S32-F36 PolarHBondContact O-N 3.39Å; M33-F36 PolarHBondContact O-N 3.4Å; T34-F36 VanDerWaalsContact C-N 3.34Å; F36-I38 VanDerWaalsContact C-N 3.27Å; F36-I38 PolarHBondContact O-N 2.97Å; F36-T49 HydrophobicContact CD1-CG2 3.49Å; F36-T49 VanDerWaalsContact CD1-CG2 3.49Å; F36-T49 HydrophobicContact CE1-CG2 3.51Å; F36-E52 WeakPolarHBondContact CZ-OE2 3.32Å |
| 37 | I | 44.8 | Very low | 48.1 | Very low | 134 Ų | 134 | 97 Ų | 97 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.2 | -22.2 | 178.3 | -69.2 | 165.1 | 0 | 0 | 0 | 112 | M33 | M33-I37 WeakPolarHBondContact O-CD1 3.39Å; M33-I37 WeakPolarHBondContact O-CG1 3.49Å; M33-I37 PolarHBondContact O-N 3.39Å |
| 38 | I | 43.9 | Very low | 48.7 | Very low | 123 Ų | 123 | 97.1 Ų | 97.1 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.5 | -174.4 | -64.2 | 170.9 | 0 | 0 | 0 | 112.7 | T34 F36 E40 | T34-I38 WeakPolarHBondContact O-CD1 3.32Å; T34-I38 WeakPolarHBondContact O-CG1 3.48Å; F36-I38 VanDerWaalsContact C-N 3.27Å; F36-I38 PolarHBondContact O-N 2.97Å; I38-E40 PolarHBondContact O-N 3.22Å |
| 39 | A | 44.1 | Very low | 49 | Very low | 74 Ų | 74 | 93.2 Ų | 93.2 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | trans | -96.6 | 34.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 40 | E | 56.7 | Low | 49.8 | Very low | 189 Ų | 189 | 91.7 Ų | 91.7 | 88% | 0.883 | 52% | 0.519 | S | S | * | . | trans | -28.6 | 127.4 | -179.5 | -82.1 | 172.8 | 100.9 | 0 | 0 | 117.9 | I38 | I38-E40 PolarHBondContact O-N 3.22Š| ||
| 41 | A | 41.8 | Very low | 49.9 | Very low | 81 Ų | 81 | 93.6 Ų | 93.6 | 67% | 0.669 | 52% | 0.52 | S | S | * | . | trans | 100.2 | 160.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 42 | P | 49.9 | Very low | 50.3 | Low | 81 Ų | 81 | 90.4 Ų | 90.4 | 53% | 0.526 | 50% | 0.5 | S | S | . | . | cis | -112 | -169.4 | -35.3 | 21.9 | 0.7 | 0 | 0 | 0 | 114.1 | P44 Y45 | P42-P44 WeakPolarHBondContact O-CD 3.3Å; P42-P44 VanDerWaalsContact O-N 3.16Å; P42-Y45 VanDerWaalsContact CD-CD2 3.47Å; P42-Y45 WeakPolarHBondContact O-CB 3.31Å; P42-Y45 VanDerWaalsContact O-CD2 3.27Å; P42-Y45 WeakPolarHBondContact O-CD2 3.38Å; P42-Y45 PolarHBondContact O-N 3.47Å | ||
| 43 | E | 51.3 | Low | 50.4 | Low | 162 Ų | 162 | 91 Ų | 91 | 76% | 0.757 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -44.6 | -41.2 | -156.2 | -54.4 | -146 | 156.5 | 0 | 0 | 122.2 | Y45 I46 | E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 3.26Å; E43-I46 WeakPolarHBondContact O-CB 3.3Å; E43-I46 PolarHBondContact O-N 2.94Å |
| 44 | P | 56.5 | Low | 50.8 | Low | 83 Ų | 83 | 91.3 Ų | 91.3 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -25.5 | 177.3 | 24.5 | -31.3 | 0 | 0 | 0 | 112.9 | P42 I46 V47 I48 | P42-P44 WeakPolarHBondContact O-CD 3.3Å; P42-P44 VanDerWaalsContact O-N 3.16Å; P44-I46 VanDerWaalsContact C-N 3.27Å; P44-I46 PolarHBondContact O-N 3.46Å; P44-V47 PolarHBondContact O-N 3.04Å; P44-I48 WeakPolarHBondContact O-CD1 3.33Å; P44-I48 PolarHBondContact O-N 3.26Å |
| 45 | Y | 52.2 | Low | 51.5 | Low | 88 Ų | 88 | 89.1 Ų | 89.1 | 35% | 0.345 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.4 | -31.1 | 176.1 | -64 | -95.9 | 0 | 0 | 0 | 110.9 | P42 E43 V47 I48 T49 | P42-Y45 VanDerWaalsContact CD-CD2 3.47Å; P42-Y45 WeakPolarHBondContact O-CB 3.31Å; P42-Y45 VanDerWaalsContact O-CD2 3.27Å; P42-Y45 WeakPolarHBondContact O-CD2 3.38Å; P42-Y45 PolarHBondContact O-N 3.47Å; E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 3.26Å; Y45-V47 VanDerWaalsContact C-N 3.33Å; Y45-V47 PolarHBondContact O-N 3.48Å; Y45-I48 PolarHBondContact O-N 2.82Å; Y45-T49 WeakPolarHBondContact O-CB 3.38Å; Y45-T49 PolarHBondContact O-N 2.78Å; Y45-T49 PolarHBondContact O-OG1 2.84Å |
| 46 | I | 53.4 | Low | 52.1 | Low | 116 Ų | 116 | 85.9 Ų | 85.9 | 60% | 0.595 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 179.2 | -60.9 | 175.9 | 0 | 0 | 0 | 111.2 | E43 P44 G50 | E43-I46 WeakPolarHBondContact O-CB 3.3Å; E43-I46 PolarHBondContact O-N 2.94Å; P44-I46 VanDerWaalsContact C-N 3.27Å; P44-I46 PolarHBondContact O-N 3.46Å; I46-G50 WeakPolarHBondContact O-CA 3.36Å; I46-G50 PolarHBondContact O-N 2.75Å |
| 47 | V | 55.2 | Low | 52.6 | Low | 106 Ų | 106 | 86.8 Ų | 86.8 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.9 | -42.5 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | P44 Y45 G50 F51 | P44-V47 PolarHBondContact O-N 3.04Å; Y45-V47 VanDerWaalsContact C-N 3.33Å; Y45-V47 PolarHBondContact O-N 3.48Å; V47-G50 PolarHBondContact O-N 3.28Å; V47-F51 WeakPolarHBondContact O-CB 3.39Å; V47-F51 PolarHBondContact O-N 2.81Å |
| 48 | I | 59.8 | Low | 52.9 | Low | 46 Ų | 46 | 86.4 Ų | 86.4 | 24% | 0.236 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 178.3 | -70.1 | 154.1 | 0 | 0 | 0 | 110.5 | P44 Y45 F51 E52 L97 | P44-I48 WeakPolarHBondContact O-CD1 3.33Å; P44-I48 PolarHBondContact O-N 3.26Å; Y45-I48 PolarHBondContact O-N 2.82Å; I48-F51 PolarHBondContact O-N 3.28Å; I48-E52 WeakPolarHBondContact O-CB 3.4Å; I48-E52 PolarHBondContact O-N 3.25Å; I48-L97 HydrophobicContact CD1-CD1 3.27Å; I48-L97 HydrophobicContact CG1-CD1 4.39Å |
| 49 | T | 55 | Low | 53.3 | Low | 41 Ų | 41 | 82.6 Ų | 82.6 | 25% | 0.252 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 177 | -45 | 0 | 0 | 0 | 0 | 111.2 | F36 Y45 E52 V53 | F36-T49 HydrophobicContact CD1-CG2 3.49Å; F36-T49 VanDerWaalsContact CD1-CG2 3.49Å; F36-T49 HydrophobicContact CE1-CG2 3.51Å; Y45-T49 WeakPolarHBondContact O-CB 3.38Å; Y45-T49 PolarHBondContact O-N 2.78Å; Y45-T49 PolarHBondContact O-OG1 2.84Å; T49-E52 PolarHBondContact O-N 3.25Å; T49-V53 VanDerWaalsContact O-CG2 3.26Å; T49-V53 WeakPolarHBondContact O-CG2 3.42Å; T49-V53 PolarHBondContact O-N 3.07Å |
| 50 | G | 59.2 | Low | 53.6 | Low | 33 Ų | 33 | 83.1 Ų | 83.1 | 34% | 0.34 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I46 V47 T54 | I46-G50 WeakPolarHBondContact O-CA 3.36Å; I46-G50 PolarHBondContact O-N 2.75Å; V47-G50 PolarHBondContact O-N 3.28Å; G50-T54 WeakPolarHBondContact O-CB 3.35Å; G50-T54 PolarHBondContact O-N 3.27Å; G50-T54 PolarHBondContact O-OG1 2.92Å |
| 51 | F | 52.9 | Low | 53.3 | Low | 124 Ų | 124 | 78.2 Ų | 78.2 | 54% | 0.544 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 174.3 | -173 | -116.3 | 0 | 0 | 0 | 111.5 | V47 I48 T54 V55 F90 | V47-F51 WeakPolarHBondContact O-CB 3.39Å; V47-F51 PolarHBondContact O-N 2.81Å; I48-F51 PolarHBondContact O-N 3.28Å; F51-T54 PolarHBondContact O-N 3.41Å; F51-V55 HydrophobicContact CE1-CG2 4.41Å; F51-V55 HydrophobicContact CE2-CG2 4.47Å; F51-V55 HydrophobicContact CZ-CG2 4.28Å; F51-V55 WeakPolarHBondContact O-CG2 3.32Å; F51-V55 PolarHBondContact O-N 3.35Å; F51-F90 AromaticContact CD1-CE1 3.55Å; F51-F90 HydrophobicContact CD1-CE1 3.55Å; F51-F90 AromaticContact CD1-CZ 3.4Å; F51-F90 HydrophobicContact CD1-CZ 3.4Å; F51-F90 HydrophobicContact CE1-CE1 4.01Å; F51-F90 AromaticContact CE1-CZ 3.51Å; F51-F90 HydrophobicContact CE1-CZ 3.51Å; F51-F90 HydrophobicContact CG-CZ 4.44Å |
| 52 | E | 54.9 | Low | 53.8 | Low | 20 Ų | 20 | 76.6 Ų | 76.6 | 9% | 0.093 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.3 | -175 | 169.1 | -154.9 | 0 | 0 | 112 | F36 I48 T49 T54 V55 I56 F90 | F36-E52 WeakPolarHBondContact CZ-OE2 3.32Å; I48-E52 WeakPolarHBondContact O-CB 3.4Å; I48-E52 PolarHBondContact O-N 3.25Å; T49-E52 PolarHBondContact O-N 3.25Å; E52-T54 VanDerWaalsContact C-N 3.34Å; E52-T54 PolarHBondContact O-N 2.81Å; E52-V55 PolarHBondContact O-N 3.5Å; E52-I56 HydrophobicContact CG-CD1 4.03Å; E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.25Å; E52-I56 PolarHBondContact O-N 3.49Å; E52-F90 HydrophobicContact CB-CD1 4.31Å; E52-F90 HydrophobicContact CB-CE1 4.21Å; E52-F90 HydrophobicContact CG-CG 4.49Å |
| 53 | V | 51.4 | Low | 53.6 | Low | 61 Ų | 61 | 79.5 Ų | 79.5 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | M33 T49 V55 I56 L57 | M33-V53 HydrophobicContact CE-CG2 4.09Å; T49-V53 VanDerWaalsContact O-CG2 3.26Å; T49-V53 WeakPolarHBondContact O-CG2 3.42Å; T49-V53 PolarHBondContact O-N 3.07Å; V53-V55 VanDerWaalsContact C-N 3.35Å; V53-V55 PolarHBondContact O-N 3.29Å; V53-I56 PolarHBondContact O-N 3.23Å; V53-L57 WeakPolarHBondContact O-CB 3.48Å; V53-L57 PolarHBondContact O-N 3.43Å |
| 54 | T | 53.3 | Low | 53.1 | Low | 85 Ų | 85 | 77.7 Ų | 77.7 | 52% | 0.521 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 177.8 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | G50 F51 E52 L57 F58 | G50-T54 WeakPolarHBondContact O-CB 3.35Å; G50-T54 PolarHBondContact O-N 3.27Å; G50-T54 PolarHBondContact O-OG1 2.92Å; F51-T54 PolarHBondContact O-N 3.41Å; E52-T54 VanDerWaalsContact C-N 3.34Å; E52-T54 PolarHBondContact O-N 2.81Å; T54-L57 PolarHBondContact O-N 3.46Å; T54-F58 WeakPolarHBondContact O-CB 3.16Å; T54-F58 PolarHBondContact O-N 2.86Å |
| 55 | V | 58.1 | Low | 52.8 | Low | 29 Ų | 29 | 78.6 Ų | 78.6 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.9 | -43 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | F51 E52 V53 F58 F59 V86 F90 | F51-V55 HydrophobicContact CE1-CG2 4.41Å; F51-V55 HydrophobicContact CE2-CG2 4.47Å; F51-V55 HydrophobicContact CZ-CG2 4.28Å; F51-V55 WeakPolarHBondContact O-CG2 3.32Å; F51-V55 PolarHBondContact O-N 3.35Å; E52-V55 PolarHBondContact O-N 3.5Å; V53-V55 VanDerWaalsContact C-N 3.35Å; V53-V55 PolarHBondContact O-N 3.29Å; V55-F58 PolarHBondContact O-N 2.84Å; V55-F59 HydrophobicContact CG1-CD2 4.27Å; V55-F59 HydrophobicContact CG1-CE2 4.5Å; V55-F59 WeakPolarHBondContact O-CD2 3.4Å; V55-F59 PolarHBondContact O-N 3.44Å; V55-V86 HydrophobicContact CG1-CG1 3.67Å; V55-F90 HydrophobicContact CB-CE2 4.39Å; V55-F90 HydrophobicContact CG1-CE2 4.37Å; V55-F90 HydrophobicContact CG2-CE2 4.26Å; V55-F90 HydrophobicContact CG2-CZ 4.19Å |
| 56 | I | 56.8 | Low | 52.6 | Low | 50 Ų | 50 | 81.4 Ų | 81.4 | 26% | 0.256 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.1 | -67.4 | 165.9 | 0 | 0 | 0 | 110.5 | E52 V53 F59 I60 | E52-I56 HydrophobicContact CG-CD1 4.03Å; E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.25Å; E52-I56 PolarHBondContact O-N 3.49Å; V53-I56 PolarHBondContact O-N 3.23Å; I56-F59 PolarHBondContact O-N 2.95Å; I56-I60 HydrophobicContact CG2-CD1 3.72Å; I56-I60 HydrophobicContact CG2-CG1 4.43Å; I56-I60 VanDerWaalsContact O-CG1 3.27Å; I56-I60 WeakPolarHBondContact O-CG1 3.27Å; I56-I60 PolarHBondContact O-N 3.11Å |
| 57 | L | 53.5 | Low | 52.4 | Low | 97 Ų | 97 | 77.8 Ų | 77.8 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 178.1 | -172.7 | 146.6 | 0 | 0 | 0 | 111.6 | V53 T54 F59 I60 L61 | V53-L57 WeakPolarHBondContact O-CB 3.48Å; V53-L57 PolarHBondContact O-N 3.43Å; T54-L57 PolarHBondContact O-N 3.46Å; L57-F59 VanDerWaalsContact C-N 3.34Å; L57-F59 PolarHBondContact O-N 3.02Å; L57-I60 CarbonylContact O-C 3.59Å; L57-I60 PolarHBondContact O-N 3.02Å; L57-L61 HydrophobicContact CD2-CD1 3.87Å; L57-L61 WeakPolarHBondContact O-CB 3.49Å; L57-L61 PolarHBondContact O-N 2.89Å |
| 58 | F | 51.7 | Low | 51.8 | Low | 126 Ų | 126 | 77 Ų | 77 | 55% | 0.553 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 174.2 | -176.3 | -104 | 0 | 0 | 0 | 111.6 | T54 V55 L61 L62 | T54-F58 WeakPolarHBondContact O-CB 3.16Å; T54-F58 PolarHBondContact O-N 2.86Å; V55-F58 PolarHBondContact O-N 2.84Å; F58-L61 PolarHBondContact O-N 3.24Å; F58-L62 HydrophobicContact CD1-CD1 3.87Å; F58-L62 HydrophobicContact CD1-CG 4.45Å; F58-L62 HydrophobicContact CE1-CD1 3.59Å; F58-L62 HydrophobicContact CE1-CG 4.26Å; F58-L62 HydrophobicContact CZ-CD1 4.21Å; F58-L62 HydrophobicContact CZ-CD2 4.47Å; F58-L62 HydrophobicContact CZ-CG 4.49Å; F58-L62 VanDerWaalsContact O-CG 3.3Å; F58-L62 WeakPolarHBondContact O-CG 3.48Å; F58-L62 PolarHBondContact O-N 3.41Å |
| 59 | F | 51.3 | Low | 51.1 | Low | 42 Ų | 42 | 82.1 Ų | 82.1 | 18% | 0.184 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 174.3 | -96.8 | -82.7 | 0 | 0 | 0 | 113.1 | V55 I56 L57 L61 L62 Y63 L79 N83 | V55-F59 HydrophobicContact CG1-CD2 4.27Å; V55-F59 HydrophobicContact CG1-CE2 4.5Å; V55-F59 WeakPolarHBondContact O-CD2 3.4Å; V55-F59 PolarHBondContact O-N 3.44Å; I56-F59 PolarHBondContact O-N 2.95Å; L57-F59 VanDerWaalsContact C-N 3.34Å; L57-F59 PolarHBondContact O-N 3.02Å; F59-L61 VanDerWaalsContact C-N 3.34Å; F59-L62 PolarHBondContact O-N 3.04Å; F59-Y63 WeakPolarHBondContact O-CB 3.19Å; F59-Y63 PolarHBondContact O-N 3.3Å; F59-L79 HydrophobicContact CE1-CD1 4.39Å; F59-L79 HydrophobicContact CE1-CD2 4.29Å; F59-L79 HydrophobicContact CE1-CG 4.01Å; F59-N83 HydrophobicContact CD1-CB 4.44Å; F59-N83 HydrophobicContact CE1-CB 3.71Å; F59-N83 HydrophobicContact CE2-CB 4.34Å; F59-N83 HydrophobicContact CZ-CB 3.65Å |
| 60 | I | 50.8 | Low | 50.6 | Low | 85 Ų | 85 | 86.6 Ų | 86.6 | 44% | 0.436 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 174.1 | -69 | 167.2 | 0 | 0 | 0 | 110.8 | I56 L57 Y63 I64 | I56-I60 HydrophobicContact CG2-CD1 3.72Å; I56-I60 HydrophobicContact CG2-CG1 4.43Å; I56-I60 VanDerWaalsContact O-CG1 3.27Å; I56-I60 WeakPolarHBondContact O-CG1 3.27Å; I56-I60 PolarHBondContact O-N 3.11Å; L57-I60 CarbonylContact O-C 3.59Å; L57-I60 PolarHBondContact O-N 3.02Å; I60-Y63 WeakPolarHBondContact O-CB 3.27Å; I60-Y63 PolarHBondContact O-N 3.49Å; I60-I64 HydrophobicContact CG2-CD1 3.74Å; I60-I64 HydrophobicContact CG2-CG1 4.27Å; I60-I64 WeakPolarHBondContact O-CG1 3.34Å; I60-I64 PolarHBondContact O-N 2.75Å |
| 61 | L | 50.7 | Low | 50.1 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 45% | 0.45 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 177 | -134.8 | 108.6 | 0 | 0 | 0 | 111.1 | L57 F58 F59 Y63 I64 L65 | L57-L61 HydrophobicContact CD2-CD1 3.87Å; L57-L61 WeakPolarHBondContact O-CB 3.49Å; L57-L61 PolarHBondContact O-N 2.89Å; F58-L61 PolarHBondContact O-N 3.24Å; F59-L61 VanDerWaalsContact C-N 3.34Å; L61-Y63 PolarHBondContact O-N 2.65Å; L61-I64 PolarHBondContact O-N 2.75Å; L61-L65 HydrophobicContact CD2-CD1 3.66Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 VanDerWaalsContact O-CB 3.3Å; L61-L65 WeakPolarHBondContact O-CB 3.34Å; L61-L65 WeakPolarHBondContact O-CD1 3.43Å; L61-L65 PolarHBondContact O-N 2.98Å |
| 62 | L | 52.1 | Low | 49.8 | Very low | 47 Ų | 47 | 92.4 Ų | 92.4 | 25% | 0.246 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.9 | -34.6 | 173.3 | -69 | 173.5 | 0 | 0 | 0 | 111.9 | F58 F59 L67 | F58-L62 HydrophobicContact CD1-CD1 3.87Å; F58-L62 HydrophobicContact CD1-CG 4.45Å; F58-L62 HydrophobicContact CE1-CD1 3.59Å; F58-L62 HydrophobicContact CE1-CG 4.26Å; F58-L62 HydrophobicContact CZ-CD1 4.21Å; F58-L62 HydrophobicContact CZ-CD2 4.47Å; F58-L62 HydrophobicContact CZ-CG 4.49Å; F58-L62 VanDerWaalsContact O-CG 3.3Å; F58-L62 WeakPolarHBondContact O-CG 3.48Å; F58-L62 PolarHBondContact O-N 3.41Å; F59-L62 PolarHBondContact O-N 3.04Å; L62-L67 HydrophobicContact CD2-CD2 3.52Å; L62-L67 WeakPolarHBondContact O-CB 3.39Å |
| 63 | Y | 46.1 | Very low | 49.2 | Very low | 143 Ų | 143 | 103.3 Ų | 103.3 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -72.8 | -46 | 176.2 | -178.8 | -100.6 | 0 | 0 | 0 | 112.9 | F59 I60 L61 | F59-Y63 WeakPolarHBondContact O-CB 3.19Å; F59-Y63 PolarHBondContact O-N 3.3Å; I60-Y63 WeakPolarHBondContact O-CB 3.27Å; I60-Y63 PolarHBondContact O-N 3.49Å; L61-Y63 PolarHBondContact O-N 2.65Å |
| 64 | I | 40.8 | Very low | 49 | Very low | 123 Ų | 123 | 104.1 Ų | 104.1 | 63% | 0.631 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -73.6 | -37.8 | -179 | -68.7 | 178.2 | 0 | 0 | 0 | 112.1 | I60 L61 R66 | I60-I64 HydrophobicContact CG2-CD1 3.74Å; I60-I64 HydrophobicContact CG2-CG1 4.27Å; I60-I64 WeakPolarHBondContact O-CG1 3.34Å; I60-I64 PolarHBondContact O-N 2.75Å; L61-I64 PolarHBondContact O-N 2.75Å; I64-R66 PolarHBondContact O-N 2.88Å |
| 65 | L | 49.4 | Very low | 49 | Very low | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 1.2 | 177.7 | -101.3 | 80.5 | 0 | 0 | 0 | 113.6 | L61 L67 | L61-L65 HydrophobicContact CD2-CD1 3.66Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 VanDerWaalsContact O-CB 3.3Å; L61-L65 WeakPolarHBondContact O-CB 3.34Å; L61-L65 WeakPolarHBondContact O-CD1 3.43Å; L61-L65 PolarHBondContact O-N 2.98Å; L65-L67 PolarHBondContact O-N 3.46Å; L65-L67 VanDerWaalsContact O-N 3.15Å |
| 66 | R | 48.5 | Very low | 48.6 | Very low | 148 Ų | 148 | 110.8 Ų | 110.8 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 34 | -178.6 | -122.8 | -167.3 | -174.1 | -176.4 | 6.8 | 111.1 | I64 D68 R69 | I64-R66 PolarHBondContact O-N 2.88Å; R66-D68 PolarHBondContact O-N 2.98Å; R66-R69 WeakPolarHBondContact O-CB 3.4Å; R66-R69 PolarHBondContact O-N 3.36Å |
| 67 | L | 48.3 | Very low | 48.2 | Very low | 40 Ų | 40 | 110.4 Ų | 110.4 | 21% | 0.209 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -61.5 | -18.7 | 177.7 | -141.5 | 76.6 | 0 | 0 | 0 | 111.5 | L62 L65 R69 L70 M71 | L62-L67 HydrophobicContact CD2-CD2 3.52Å; L62-L67 WeakPolarHBondContact O-CB 3.39Å; L65-L67 PolarHBondContact O-N 3.46Å; L65-L67 VanDerWaalsContact O-N 3.15Å; L67-R69 PolarHBondContact O-N 3.26Å; L67-L70 HydrophobicContact CD1-CB 4.11Å; L67-L70 HydrophobicContact CD1-CD1 3.86Å; L67-L70 HydrophobicContact CG-CB 4.33Å; L67-L70 PolarHBondContact O-N 3.44Å; L67-M71 HydrophobicContact CD2-CE 4Å; L67-M71 HydrophobicContact CD2-CG 4.32Å; L67-M71 HydrophobicContact CD2-SD 4.11Å; L67-M71 HydrophobicContact CG-CG 4.26Å; L67-M71 PolarHBondContact O-N 2.82Å |
| 68 | D | 44 | Very low | 48.1 | Very low | 88 Ų | 88 | 110.2 Ų | 110.2 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -44 | -37.5 | 161.3 | -177.6 | -100.2 | 0 | 0 | 0 | 114.4 | R66 W76 | R66-D68 PolarHBondContact O-N 2.98Å; D68-W76 VanDerWaalsContact CA-CZ2 3.45Å; D68-W76 HydrophobicContact CB-CH2 3.87Å; D68-W76 HydrophobicContact CB-CZ2 3.37Å; D68-W76 VanDerWaalsContact OD2-CE2 3.27Å; D68-W76 VanDerWaalsContact OD2-CH2 3.31Å; D68-W76 WeakPolarHBondContact OD2-CH2 3.2Å; D68-W76 WeakPolarHBondContact OD2-CZ2 3.23Å |
| 69 | R | 45.3 | Very low | 48.1 | Very low | 155 Ų | 155 | 106.6 Ų | 106.6 | 59% | 0.585 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -91.6 | -24.5 | -179.5 | -158.5 | 178.8 | -82.4 | -148.7 | -6.4 | 112.7 | R66 L67 | R66-R69 WeakPolarHBondContact O-CB 3.4Å; R66-R69 PolarHBondContact O-N 3.36Å; L67-R69 PolarHBondContact O-N 3.26Å |
| 70 | L | 43.8 | Very low | 48.4 | Very low | 135 Ų | 135 | 107.1 Ų | 107.1 | 71% | 0.707 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -84.6 | -37.9 | -179.2 | -90.1 | 156.5 | 0 | 0 | 0 | 112.6 | L67 | L67-L70 HydrophobicContact CD1-CB 4.11Å; L67-L70 HydrophobicContact CD1-CD1 3.86Å; L67-L70 HydrophobicContact CG-CB 4.33Å; L67-L70 PolarHBondContact O-N 3.44Å |
| 71 | M | 48.6 | Very low | 48.6 | Very low | 88 Ų | 88 | 104.5 Ų | 104.5 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | trans | -106.1 | 69.2 | -178 | -70.8 | -160.1 | 179.4 | 0 | 0 | 112.3 | L67 W73 L74 | L67-M71 HydrophobicContact CD2-CE 4Å; L67-M71 HydrophobicContact CD2-CG 4.32Å; L67-M71 HydrophobicContact CD2-SD 4.11Å; L67-M71 HydrophobicContact CG-CG 4.26Å; L67-M71 PolarHBondContact O-N 2.82Å; M71-W73 PolarHBondContact O-N 2.82Å; M71-W73 VanDerWaalsContact O-N 3.15Å; M71-L74 HydrophobicContact CB-CB 3.77Å; M71-L74 PolarHBondContact O-N 3.24Å; M71-L74 HydrophobicContact SD-CB 4.18Å; M71-L74 HydrophobicContact SD-CD1 4.18Å; M71-L74 HydrophobicContact SD-CD2 3.8Å; M71-L74 HydrophobicContact SD-CG 4.28Å | ||
| 72 | K | 47 | Very low | 49 | Very low | 190 Ų | 190 | 104.4 Ų | 104.4 | 83% | 0.826 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -12.8 | 171.4 | -70.9 | 172.7 | -176.8 | 160.4 | 0 | 113.7 | ||
| 73 | W | 42.7 | Very low | 49.5 | Very low | 249 Ų | 249 | 104.4 Ų | 104.4 | 94% | 0.943 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -5.5 | -179 | -134 | 71.4 | 0 | 0 | 0 | 113.3 | M71 | M71-W73 PolarHBondContact O-N 2.82Å; M71-W73 VanDerWaalsContact O-N 3.15Å |
| 74 | L | 46.2 | Very low | 50.2 | Low | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.414 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -96.7 | 126.2 | -174.8 | -162.6 | 81.4 | 0 | 0 | 0 | 110.5 | M71 W76 L79 | M71-L74 HydrophobicContact CB-CB 3.77Å; M71-L74 PolarHBondContact O-N 3.24Å; M71-L74 HydrophobicContact SD-CB 4.18Å; M71-L74 HydrophobicContact SD-CD1 4.18Å; M71-L74 HydrophobicContact SD-CD2 3.8Å; M71-L74 HydrophobicContact SD-CG 4.28Å; L74-W76 PolarHBondContact O-N 2.77Å; L74-L79 HydrophobicContact CD2-CD1 4.24Å |
| 75 | F | 53.3 | Low | 51 | Low | 144 Ų | 144 | 98.1 Ų | 98.1 | 63% | 0.632 | 46% | 0.456 | S | S | * | . | trans | -69.6 | 100.1 | 177.5 | -97.2 | -99.9 | 0 | 0 | 0 | 110.8 | P77 L78 L79 | F75-P77 VanDerWaalsContact C-N 3.33Å; F75-L78 HydrophobicContact CB-CB 3.71Å; F75-L78 WeakPolarHBondContact O-CA 3.22Å; F75-L78 VanDerWaalsContact O-CB 3.24Å; F75-L78 WeakPolarHBondContact O-CB 3.33Å; F75-L78 PolarHBondContact O-N 3.5Å; F75-L79 PolarHBondContact O-N 2.89Å; F75-L79 VanDerWaalsContact O-N 3.13Å | ||
| 76 | W | 49.6 | Very low | 51.6 | Low | 109 Ų | 109 | 95.2 Ų | 95.2 | 41% | 0.413 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -48.5 | -41.1 | 171.7 | -85.2 | 72.4 | 0 | 0 | 0 | 115.3 | D68 L74 L78 L79 D80 | D68-W76 VanDerWaalsContact CA-CZ2 3.45Å; D68-W76 HydrophobicContact CB-CH2 3.87Å; D68-W76 HydrophobicContact CB-CZ2 3.37Å; D68-W76 VanDerWaalsContact OD2-CE2 3.27Å; D68-W76 VanDerWaalsContact OD2-CH2 3.31Å; D68-W76 WeakPolarHBondContact OD2-CH2 3.2Å; D68-W76 WeakPolarHBondContact OD2-CZ2 3.23Å; L74-W76 PolarHBondContact O-N 2.77Å; W76-L78 VanDerWaalsContact C-N 3.29Å; W76-L78 PolarHBondContact O-N 2.81Å; W76-L79 PolarHBondContact O-N 3.46Å; W76-D80 PolarHBondContact O-N 3.34Å |
| 77 | P | 49.8 | Very low | 52.1 | Low | 43 Ų | 43 | 90.6 Ų | 90.6 | 28% | 0.279 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.9 | -31.4 | 175.1 | -18.9 | 31.6 | 0 | 0 | 0 | 113.3 | F75 D80 I81 L132 | F75-P77 VanDerWaalsContact C-N 3.33Å; P77-D80 WeakPolarHBondContact O-CB 3.35Å; P77-D80 PolarHBondContact O-N 3.32Å; P77-I81 WeakPolarHBondContact O-CD1 3.11Å; P77-I81 VanDerWaalsContact O-CG1 3.32Å; P77-I81 WeakPolarHBondContact O-CG1 3.45Å; P77-I81 PolarHBondContact O-N 2.84Å; P77-I81 VanDerWaalsContact O-N 3.16Å; P77-L132 HydrophobicContact CB-CD1 4.04Å; P77-L132 HydrophobicContact CB-CD2 3.52Å; P77-L132 HydrophobicContact CB-CG 4.45Å; P77-L132 HydrophobicContact CG-CD1 4.27Å; P77-L132 HydrophobicContact CG-CD2 3.92Å |
| 78 | L | 49.8 | Very low | 52.8 | Low | 93 Ų | 93 | 89.3 Ų | 89.3 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.5 | -40.5 | -179.8 | -147.9 | 82.5 | 0 | 0 | 0 | 110.6 | F75 W76 D80 I81 I82 | F75-L78 HydrophobicContact CB-CB 3.71Å; F75-L78 WeakPolarHBondContact O-CA 3.22Å; F75-L78 VanDerWaalsContact O-CB 3.24Å; F75-L78 WeakPolarHBondContact O-CB 3.33Å; F75-L78 PolarHBondContact O-N 3.5Å; W76-L78 VanDerWaalsContact C-N 3.29Å; W76-L78 PolarHBondContact O-N 2.81Å; L78-D80 PolarHBondContact O-N 3.18Å; L78-I81 PolarHBondContact O-N 2.94Å; L78-I82 VanDerWaalsContact O-CG1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.3Å |
| 79 | L | 53.2 | Low | 53.7 | Low | 50 Ų | 50 | 89 Ų | 89 | 26% | 0.262 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 173.1 | -165.4 | 83.7 | 0 | 0 | 0 | 111.5 | F59 L74 F75 W76 I82 N83 | F59-L79 HydrophobicContact CE1-CD1 4.39Å; F59-L79 HydrophobicContact CE1-CD2 4.29Å; F59-L79 HydrophobicContact CE1-CG 4.01Å; L74-L79 HydrophobicContact CD2-CD1 4.24Å; F75-L79 PolarHBondContact O-N 2.89Å; F75-L79 VanDerWaalsContact O-N 3.13Å; W76-L79 PolarHBondContact O-N 3.46Å; L79-I82 PolarHBondContact O-N 2.96Å; L79-N83 WeakPolarHBondContact O-CB 3.49Å; L79-N83 PolarHBondContact O-N 3.36Å |
| 80 | D | 55.8 | Low | 54.3 | Low | 53 Ų | 53 | 82.5 Ų | 82.5 | 28% | 0.283 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 178.3 | -140.9 | 8.1 | 0 | 0 | 0 | 112.4 | R25 W76 P77 L78 S84 | R25-D80 IonicContact CZ-OD1 3.14Å; R25-D80 IonicContact CZ-OD2 3.26Å; R25-D80 VanDerWaalsContact CZ-OD2 3.26Å; R25-D80 IonicContact NH1-OD1 2.65Å; R25-D80 PolarHBondContact NH1-OD1 3Å; R25-D80 IonicContact NH1-OD2 2.89Å; R25-D80 PolarHBondContact NH1-OD2 3.37Å; R25-D80 IonicContact NH2-OD1 3.24Å; R25-D80 PolarHBondContact NH2-OD1 2.94Å; R25-D80 IonicContact NH2-OD2 2.75Å; R25-D80 PolarHBondContact NH2-OD2 3.24Å; W76-D80 PolarHBondContact O-N 3.34Å; P77-D80 WeakPolarHBondContact O-CB 3.35Å; P77-D80 PolarHBondContact O-N 3.32Å; L78-D80 PolarHBondContact O-N 3.18Å; D80-S84 PolarHBondContact O-N 3.47Å |
| 81 | I | 56.8 | Low | 55.3 | Low | 29 Ų | 29 | 77.8 Ų | 77.8 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.4 | -43.4 | 174.2 | -68.1 | 159.7 | 0 | 0 | 0 | 110.7 | P77 L78 N83 S84 M85 Y129 | P77-I81 WeakPolarHBondContact O-CD1 3.11Å; P77-I81 VanDerWaalsContact O-CG1 3.32Å; P77-I81 WeakPolarHBondContact O-CG1 3.45Å; P77-I81 PolarHBondContact O-N 2.84Å; P77-I81 VanDerWaalsContact O-N 3.16Å; L78-I81 PolarHBondContact O-N 2.94Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 2.95Å; I81-S84 PolarHBondContact O-N 3.41Å; I81-M85 HydrophobicContact CG2-CG 4.37Å; I81-M85 HydrophobicContact CG2-SD 4.33Å; I81-M85 WeakPolarHBondContact O-CB 3.26Å; I81-M85 WeakPolarHBondContact O-CG 3.28Å; I81-M85 PolarHBondContact O-N 2.93Å; I81-Y129 HydrophobicContact CD1-CD2 3.54Å; I81-Y129 HydrophobicContact CD1-CG 4.17Å |
| 82 | I | 58.5 | Low | 56.1 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 43% | 0.431 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 176.6 | -68.2 | 165.5 | 0 | 0 | 0 | 110.1 | L78 L79 S84 M85 V86 | L78-I82 VanDerWaalsContact O-CG1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.3Å; L79-I82 PolarHBondContact O-N 2.96Å; I82-S84 PolarHBondContact O-N 2.92Å; I82-M85 PolarHBondContact O-N 2.95Å; I82-V86 HydrophobicContact CG2-CG2 4.34Å; I82-V86 WeakPolarHBondContact O-CB 3.4Å; I82-V86 WeakPolarHBondContact O-CG2 3.5Å; I82-V86 PolarHBondContact O-N 2.91Å |
| 83 | N | 63.1 | Low | 56.9 | Low | 47 Ų | 47 | 71.9 Ų | 71.9 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -44 | 176 | -172.9 | 57.4 | 0 | 0 | 0 | 112.2 | F59 L79 I81 M85 V86 T87 | F59-N83 HydrophobicContact CD1-CB 4.44Å; F59-N83 HydrophobicContact CE1-CB 3.71Å; F59-N83 HydrophobicContact CE2-CB 4.34Å; F59-N83 HydrophobicContact CZ-CB 3.65Å; L79-N83 WeakPolarHBondContact O-CB 3.49Å; L79-N83 PolarHBondContact O-N 3.36Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 2.95Å; N83-M85 PolarHBondContact O-N 3.47Å; N83-V86 PolarHBondContact O-N 3.37Å; N83-T87 PolarHBondContact O-N 3.4Å; N83-T87 PolarHBondContact O-OG1 3.07Å; N83-T87 VanDerWaalsContact O-OG1 3.11Å |
| 84 | S | 59.8 | Low | 57.8 | Low | 27 Ų | 27 | 62.2 Ų | 62.2 | 19% | 0.189 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | D80 I81 I82 V86 T87 T88 C121 | D80-S84 PolarHBondContact O-N 3.47Å; I81-S84 PolarHBondContact O-N 3.41Å; I82-S84 PolarHBondContact O-N 2.92Å; S84-V86 VanDerWaalsContact C-N 3.34Å; S84-T87 PolarHBondContact O-N 3.33Å; S84-T88 PolarHBondContact O-N 3.46Å; S84-T88 PolarHBondContact O-OG1 3.43Å; S84-T88 VanDerWaalsContact O-OG1 3.07Å; S84-C121 PolarHBondContact OG-O 3.41Å |
| 85 | M | 58.6 | Low | 58.8 | Low | 107 Ų | 107 | 58.8 Ų | 58.8 | 53% | 0.527 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.3 | -76.3 | -171.5 | 65.4 | 0 | 0 | 111.7 | I81 I82 N83 T88 V89 | I81-M85 HydrophobicContact CG2-CG 4.37Å; I81-M85 HydrophobicContact CG2-SD 4.33Å; I81-M85 WeakPolarHBondContact O-CB 3.26Å; I81-M85 WeakPolarHBondContact O-CG 3.28Å; I81-M85 PolarHBondContact O-N 2.93Å; I82-M85 PolarHBondContact O-N 2.95Å; N83-M85 PolarHBondContact O-N 3.47Å; M85-T88 PolarHBondContact O-N 3.43Å; M85-V89 WeakPolarHBondContact O-CG2 3.45Å; M85-V89 PolarHBondContact O-N 2.92Å |
| 86 | V | 60.4 | Low | 59.4 | Low | 41 Ų | 41 | 55.6 Ų | 55.6 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 177.2 | 167.9 | 0 | 0 | 0 | 0 | 110.3 | V55 I82 N83 S84 T88 V89 F90 | V55-V86 HydrophobicContact CG1-CG1 3.67Å; I82-V86 HydrophobicContact CG2-CG2 4.34Å; I82-V86 WeakPolarHBondContact O-CB 3.4Å; I82-V86 WeakPolarHBondContact O-CG2 3.5Å; I82-V86 PolarHBondContact O-N 2.91Å; N83-V86 PolarHBondContact O-N 3.37Å; S84-V86 VanDerWaalsContact C-N 3.34Å; V86-T88 VanDerWaalsContact C-N 3.35Å; V86-T88 PolarHBondContact O-N 2.93Å; V86-V89 PolarHBondContact O-N 3.36Å; V86-F90 HydrophobicContact CG1-CD2 3.68Å; V86-F90 HydrophobicContact CG1-CE2 3.5Å; V86-F90 WeakPolarHBondContact O-CD2 3.45Å; V86-F90 PolarHBondContact O-N 3.47Å |
| 87 | T | 60.3 | Low | 59.9 | Low | 51 Ų | 51 | 52.9 Ų | 52.9 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 175 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | N83 S84 F90 M91 | N83-T87 PolarHBondContact O-N 3.4Å; N83-T87 PolarHBondContact O-OG1 3.07Å; N83-T87 VanDerWaalsContact O-OG1 3.11Å; S84-T87 PolarHBondContact O-N 3.33Å; T87-F90 PolarHBondContact O-N 3.04Å; T87-M91 WeakPolarHBondContact O-CB 3.49Å; T87-M91 PolarHBondContact O-N 3Å |
| 88 | T | 62.8 | Low | 60.5 | Low | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | S84 M85 V86 F90 M91 L92 A118 L122 | S84-T88 PolarHBondContact O-N 3.46Å; S84-T88 PolarHBondContact O-OG1 3.43Å; S84-T88 VanDerWaalsContact O-OG1 3.07Å; M85-T88 PolarHBondContact O-N 3.43Å; V86-T88 VanDerWaalsContact C-N 3.35Å; V86-T88 PolarHBondContact O-N 2.93Å; T88-F90 VanDerWaalsContact C-N 3.34Å; T88-M91 PolarHBondContact O-N 3.15Å; T88-L92 VanDerWaalsContact O-CB 3.27Å; T88-L92 WeakPolarHBondContact O-CB 3.27Å; T88-L92 PolarHBondContact O-N 3.2Å; T88-A118 HydrophobicContact CG2-CB 4.12Å; T88-A118 PolarHBondContact OG1-O 2.82Å; T88-L122 HydrophobicContact CG2-CB 4.17Å; T88-L122 HydrophobicContact CG2-CD1 4.06Å |
| 89 | V | 61.8 | Low | 61.1 | Low | 82 Ų | 82 | 51.8 Ų | 51.8 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | M85 V86 L92 I93 | M85-V89 WeakPolarHBondContact O-CG2 3.45Å; M85-V89 PolarHBondContact O-N 2.92Å; V86-V89 PolarHBondContact O-N 3.36Å; V89-L92 PolarHBondContact O-N 2.78Å; V89-I93 HydrophobicContact CG1-CD1 3.82Å; V89-I93 WeakPolarHBondContact O-CD1 3.32Å; V89-I93 VanDerWaalsContact O-CG1 3.22Å; V89-I93 WeakPolarHBondContact O-CG1 3.15Å; V89-I93 PolarHBondContact O-N 3.29Å |
| 90 | F | 58.8 | Low | 61.7 | Low | 18 Ų | 18 | 55.1 Ų | 55.1 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 176.2 | -81.5 | -65.8 | 0 | 0 | 0 | 113.2 | F51 E52 V55 V86 T87 T88 L92 I93 V94 | F51-F90 AromaticContact CD1-CE1 3.55Å; F51-F90 HydrophobicContact CD1-CE1 3.55Å; F51-F90 AromaticContact CD1-CZ 3.4Å; F51-F90 HydrophobicContact CD1-CZ 3.4Å; F51-F90 HydrophobicContact CE1-CE1 4.01Å; F51-F90 AromaticContact CE1-CZ 3.51Å; F51-F90 HydrophobicContact CE1-CZ 3.51Å; F51-F90 HydrophobicContact CG-CZ 4.44Å; E52-F90 HydrophobicContact CB-CD1 4.31Å; E52-F90 HydrophobicContact CB-CE1 4.21Å; E52-F90 HydrophobicContact CG-CG 4.49Å; V55-F90 HydrophobicContact CB-CE2 4.39Å; V55-F90 HydrophobicContact CG1-CE2 4.37Å; V55-F90 HydrophobicContact CG2-CE2 4.26Å; V55-F90 HydrophobicContact CG2-CZ 4.19Å; V86-F90 HydrophobicContact CG1-CD2 3.68Å; V86-F90 HydrophobicContact CG1-CE2 3.5Å; V86-F90 WeakPolarHBondContact O-CD2 3.45Å; V86-F90 PolarHBondContact O-N 3.47Å; T87-F90 PolarHBondContact O-N 3.04Å; T88-F90 VanDerWaalsContact C-N 3.34Å; F90-L92 PolarHBondContact O-N 3.47Å; F90-I93 WeakPolarHBondContact O-CB 3.43Å; F90-I93 PolarHBondContact O-N 2.85Å; F90-I93 VanDerWaalsContact O-N 3.14Å; F90-V94 WeakPolarHBondContact O-CG2 3.32Å; F90-V94 PolarHBondContact O-N 2.95Å |
| 91 | M | 63.8 | Low | 61.8 | Low | 36 Ų | 36 | 54.6 Ų | 54.6 | 18% | 0.177 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 175.9 | -78 | -78.9 | 172.6 | 0 | 0 | 112.5 | T87 T88 S95 A114 A118 | T87-M91 WeakPolarHBondContact O-CB 3.49Å; T87-M91 PolarHBondContact O-N 3Å; T88-M91 PolarHBondContact O-N 3.15Å; M91-S95 VanDerWaalsContact O-CB 3.28Å; M91-S95 WeakPolarHBondContact O-CB 3.49Å; M91-S95 PolarHBondContact O-N 3.35Å; M91-A114 HydrophobicContact SD-CB 3.81Å; M91-A118 HydrophobicContact CB-CB 3.74Å |
| 92 | L | 66.5 | Low | 61.8 | Low | 88 Ų | 88 | 63.2 Ų | 63.2 | 46% | 0.461 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 174.2 | -170.5 | 148.3 | 0 | 0 | 0 | 111.3 | T88 V89 F90 S95 V96 | T88-L92 VanDerWaalsContact O-CB 3.27Å; T88-L92 WeakPolarHBondContact O-CB 3.27Å; T88-L92 PolarHBondContact O-N 3.2Å; V89-L92 PolarHBondContact O-N 2.78Å; F90-L92 PolarHBondContact O-N 3.47Å; L92-S95 WeakPolarHBondContact O-CB 3.4Å; L92-S95 PolarHBondContact O-N 3.22Å; L92-V96 HydrophobicContact CD2-CG2 4.25Å; L92-V96 WeakPolarHBondContact O-CG2 3.45Å; L92-V96 PolarHBondContact O-N 3.3Å |
| 93 | I | 62.8 | Low | 61.7 | Low | 66 Ų | 66 | 62.3 Ų | 62.3 | 34% | 0.338 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 174.1 | -69.1 | 162.6 | 0 | 0 | 0 | 110.3 | V89 F90 S95 V96 L97 | V89-I93 HydrophobicContact CG1-CD1 3.82Å; V89-I93 WeakPolarHBondContact O-CD1 3.32Å; V89-I93 VanDerWaalsContact O-CG1 3.22Å; V89-I93 WeakPolarHBondContact O-CG1 3.15Å; V89-I93 PolarHBondContact O-N 3.29Å; F90-I93 WeakPolarHBondContact O-CB 3.43Å; F90-I93 PolarHBondContact O-N 2.85Å; F90-I93 VanDerWaalsContact O-N 3.14Å; I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 3.29Å; I93-V96 PolarHBondContact O-N 3.32Å; I93-L97 HydrophobicContact CG2-CD1 3.55Å; I93-L97 HydrophobicContact CG2-CG 4.25Å; I93-L97 WeakPolarHBondContact O-CB 3.48Å; I93-L97 WeakPolarHBondContact O-CD1 3.2Å; I93-L97 WeakPolarHBondContact O-CG 3.48Å; I93-L97 PolarHBondContact O-N 2.99Å |
| 94 | V | 62.2 | Low | 61.7 | Low | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.279 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | F90 L97 A98 A114 | F90-V94 WeakPolarHBondContact O-CG2 3.32Å; F90-V94 PolarHBondContact O-N 2.95Å; V94-L97 PolarHBondContact O-N 3.41Å; V94-A98 VanDerWaalsContact O-CB 3.23Å; V94-A98 WeakPolarHBondContact O-CB 3.5Å; V94-A98 PolarHBondContact O-N 2.87Å; V94-A114 HydrophobicContact CG1-CB 4.49Å |
| 95 | S | 67.4 | Low | 62 | Low | 7 Ų | 7 | 68.7 Ų | 68.7 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -48.9 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | M91 L92 I93 L97 A98 L99 G111 L115 | M91-S95 VanDerWaalsContact O-CB 3.28Å; M91-S95 WeakPolarHBondContact O-CB 3.49Å; M91-S95 PolarHBondContact O-N 3.35Å; L92-S95 WeakPolarHBondContact O-CB 3.4Å; L92-S95 PolarHBondContact O-N 3.22Å; I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 3.29Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 3.32Å; S95-A98 PolarHBondContact O-N 3Å; S95-L99 VanDerWaalsContact O-CD1 3.26Å; S95-L99 WeakPolarHBondContact O-CD1 3.39Å; S95-L99 PolarHBondContact O-N 3.37Å; S95-G111 VanDerWaalsContact CB-O 3.28Å; S95-G111 WeakPolarHBondContact CB-O 3.28Å; S95-G111 PolarHBondContact OG-O 3.35Å; S95-L115 WeakPolarHBondContact OG-CB 3.4Å; S95-L115 VanDerWaalsContact OG-CD1 3.25Å; S95-L115 WeakPolarHBondContact OG-CD1 3.48Å |
| 96 | V | 64.9 | Low | 62 | Low | 76 Ų | 76 | 70.9 Ų | 70.9 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L92 I93 A98 L99 I100 | L92-V96 HydrophobicContact CD2-CG2 4.25Å; L92-V96 WeakPolarHBondContact O-CG2 3.45Å; L92-V96 PolarHBondContact O-N 3.3Å; I93-V96 PolarHBondContact O-N 3.32Å; V96-A98 VanDerWaalsContact C-N 3.34Å; V96-A98 PolarHBondContact O-N 3.47Å; V96-L99 PolarHBondContact O-N 3.04Å; V96-L99 VanDerWaalsContact O-N 3.16Å; V96-I100 HydrophobicContact CG1-CD1 3.77Å; V96-I100 HydrophobicContact CG1-CG1 4.48Å; V96-I100 WeakPolarHBondContact O-CD1 3.29Å; V96-I100 VanDerWaalsContact O-CG1 3.27Å; V96-I100 WeakPolarHBondContact O-CG1 3.47Å; V96-I100 PolarHBondContact O-N 2.89Å |
| 97 | L | 61.3 | Low | 62.2 | Low | 52 Ų | 52 | 71 Ų | 71 | 27% | 0.272 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.7 | -28.6 | 178.6 | -68.4 | 171 | 0 | 0 | 0 | 113.6 | I48 I93 V94 S95 L99 I100 P101 | I48-L97 HydrophobicContact CD1-CD1 3.27Å; I48-L97 HydrophobicContact CG1-CD1 4.39Å; I93-L97 HydrophobicContact CG2-CD1 3.55Å; I93-L97 HydrophobicContact CG2-CG 4.25Å; I93-L97 WeakPolarHBondContact O-CB 3.48Å; I93-L97 WeakPolarHBondContact O-CD1 3.2Å; I93-L97 WeakPolarHBondContact O-CG 3.48Å; I93-L97 PolarHBondContact O-N 2.99Å; V94-L97 PolarHBondContact O-N 3.41Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 3.32Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-I100 HydrophobicContact CD2-CD1 4.09Å; L97-P101 WeakPolarHBondContact O-CD 3.14Å |
| 98 | A | 60.9 | Low | 62.5 | Low | 8 Ų | 8 | 71.5 Ų | 71.5 | 7% | 0.066 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -72.4 | -20.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V94 S95 V96 T107 | V94-A98 VanDerWaalsContact O-CB 3.23Å; V94-A98 WeakPolarHBondContact O-CB 3.5Å; V94-A98 PolarHBondContact O-N 2.87Å; S95-A98 PolarHBondContact O-N 3Å; V96-A98 VanDerWaalsContact C-N 3.34Å; V96-A98 PolarHBondContact O-N 3.47Å; A98-T107 HydrophobicContact CB-CG2 4Å |
| 99 | L | 63.9 | Low | 62.8 | Low | 106 Ų | 106 | 72.9 Ų | 72.9 | 56% | 0.555 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -91 | -17.6 | 176.8 | -95.5 | 77.5 | 0 | 0 | 0 | 113.9 | S95 V96 L97 | S95-L99 VanDerWaalsContact O-CD1 3.26Å; S95-L99 WeakPolarHBondContact O-CD1 3.39Å; S95-L99 PolarHBondContact O-N 3.37Å; V96-L99 PolarHBondContact O-N 3.04Å; V96-L99 VanDerWaalsContact O-N 3.16Å; L97-L99 VanDerWaalsContact C-N 3.27Å |
| 100 | I | 64.7 | Low | 63.1 | Low | 120 Ų | 120 | 70.9 Ų | 70.9 | 62% | 0.615 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -75.4 | -44.6 | -175 | -75.5 | 162 | 0 | 0 | 0 | 114.3 | V96 L97 | V96-I100 HydrophobicContact CG1-CD1 3.77Å; V96-I100 HydrophobicContact CG1-CG1 4.48Å; V96-I100 WeakPolarHBondContact O-CD1 3.29Å; V96-I100 VanDerWaalsContact O-CG1 3.27Å; V96-I100 WeakPolarHBondContact O-CG1 3.47Å; V96-I100 PolarHBondContact O-N 2.89Å; L97-I100 HydrophobicContact CD2-CD1 4.09Å |
| 101 | P | 57.7 | Low | 63.5 | Low | 41 Ų | 41 | 70 Ų | 70 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -81.3 | 141.1 | -179.2 | 29.8 | -31.3 | 0 | 0 | 0 | 110.8 | L97 T103 | L97-P101 WeakPolarHBondContact O-CD 3.14Å; P101-T103 HydrophobicContact CB-CG2 3.78Å; P101-T103 HydrophobicContact CG-CG2 4.23Å; P101-T103 WeakPolarHBondContact CG-OG1 3.44Å; P101-T103 PolarHBondContact O-N 3.14Å; P101-T103 PolarHBondContact O-OG1 3.33Å |
| 102 | E | 57 | Low | 64 | Low | 211 Ų | 211 | 72.1 Ų | 72.1 | 99% | 0.986 | 42% | 0.421 | S | S | * | . | trans | -66.7 | 66.5 | 166.3 | -66.6 | -144 | -175 | 0 | 0 | 110.7 | ||||
| 103 | T | 57.1 | Low | 64 | Low | 65 Ų | 65 | 75.1 Ų | 75.1 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | trans | -121 | 163.2 | -176 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | P101 | P101-T103 HydrophobicContact CB-CG2 3.78Å; P101-T103 HydrophobicContact CG-CG2 4.23Å; P101-T103 WeakPolarHBondContact CG-OG1 3.44Å; P101-T103 PolarHBondContact O-N 3.14Å; P101-T103 PolarHBondContact O-OG1 3.33Å | ||
| 104 | T | 63.1 | Low | 64.1 | Low | 91 Ų | 91 | 72.4 Ų | 72.4 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | trans | -37.6 | 145 | -173.4 | 37.8 | 0 | 0 | 0 | 0 | 114.2 | L106 T107 | T104-L106 PolarHBondContact O-N 2.96Å; T104-T107 PolarHBondContact O-N 2.89Å | ||
| 105 | P | 65.8 | Low | 64.5 | Low | 117 Ų | 117 | 74 Ų | 74 | 76% | 0.76 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.1 | -18.8 | -178.9 | 23.4 | -35 | 0 | 0 | 0 | 113.8 | G109 | P105-G109 PolarHBondContact O-N 2.92Å |
| 106 | L | 59.5 | Low | 64.8 | Low | 152 Ų | 152 | 77.5 Ų | 77.5 | 80% | 0.796 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 174.4 | -155 | 82.7 | 0 | 0 | 0 | 112.7 | T104 G109 G110 | T104-L106 PolarHBondContact O-N 2.96Å; L106-G109 PolarHBondContact O-N 3.44Å; L106-G110 PolarHBondContact O-N 2.88Å |
| 107 | T | 63.1 | Low | 65 | Low | 45 Ų | 45 | 76.1 Ų | 76.1 | 28% | 0.276 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.3 | -44.3 | 179 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | A98 T104 G109 G110 G111 | A98-T107 HydrophobicContact CB-CG2 4Å; T104-T107 PolarHBondContact O-N 2.89Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 3.48Å; T107-G110 PolarHBondContact O-N 3.03Å; T107-G110 VanDerWaalsContact O-N 3.11Å; T107-G111 PolarHBondContact O-N 3.44Å |
| 108 | V | 67.7 | Low | 65.1 | Low | 61 Ų | 61 | 73.9 Ų | 73.9 | 37% | 0.37 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 174.7 | -180 | 0 | 0 | 0 | 0 | 110.6 | G110 G111 V112 | V108-G110 PolarHBondContact O-N 3.42Å; V108-G111 PolarHBondContact O-N 3.45Å; V108-V112 WeakPolarHBondContact O-CG2 3.25Å; V108-V112 PolarHBondContact O-N 3.48Å |
| 109 | G | 69.2 | Low | 65.8 | Low | 42 Ų | 42 | 77.9 Ų | 77.9 | 43% | 0.433 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P105 L106 T107 V112 F113 | P105-G109 PolarHBondContact O-N 2.92Å; L106-G109 PolarHBondContact O-N 3.44Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 3.48Å; G109-V112 PolarHBondContact O-N 3.4Å; G109-F113 WeakPolarHBondContact O-CB 3.46Å; G109-F113 PolarHBondContact O-N 3.31Å |
| 110 | G | 67.2 | Low | 65.9 | Low | 40 Ų | 40 | 76 Ų | 76 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L106 T107 V108 F113 A114 | L106-G110 PolarHBondContact O-N 2.88Å; T107-G110 PolarHBondContact O-N 3.03Å; T107-G110 VanDerWaalsContact O-N 3.11Å; V108-G110 PolarHBondContact O-N 3.42Å; G110-F113 PolarHBondContact O-N 2.57Å; G110-A114 WeakPolarHBondContact O-CB 3.43Å; G110-A114 PolarHBondContact O-N 3.5Å |
| 111 | G | 67.7 | Low | 65.8 | Low | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S95 T107 V108 A114 L115 | S95-G111 VanDerWaalsContact CB-O 3.28Å; S95-G111 WeakPolarHBondContact CB-O 3.28Å; S95-G111 PolarHBondContact OG-O 3.35Å; T107-G111 PolarHBondContact O-N 3.44Å; V108-G111 PolarHBondContact O-N 3.45Å; G111-A114 PolarHBondContact O-N 3.1Å; G111-L115 PolarHBondContact O-N 3.28Å |
| 112 | V | 74.8 | Confident | 66.4 | Low | 81 Ų | 81 | 74.8 Ų | 74.8 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | V108 G109 A114 L115 V116 | V108-V112 WeakPolarHBondContact O-CG2 3.25Å; V108-V112 PolarHBondContact O-N 3.48Å; G109-V112 PolarHBondContact O-N 3.4Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-A114 PolarHBondContact O-N 2.95Å; V112-L115 WeakPolarHBondContact O-CB 3.27Å; V112-L115 PolarHBondContact O-N 3.06Å; V112-V116 WeakPolarHBondContact O-CG2 3.46Å; V112-V116 PolarHBondContact O-N 3.08Å |
| 113 | F | 65.6 | Low | 67 | Low | 151 Ų | 151 | 67 Ų | 67 | 66% | 0.662 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.2 | -37.3 | 177.9 | -165.6 | -98.3 | 0 | 0 | 0 | 112.3 | G109 G110 V116 T117 | G109-F113 WeakPolarHBondContact O-CB 3.46Å; G109-F113 PolarHBondContact O-N 3.31Å; G110-F113 PolarHBondContact O-N 2.57Å; F113-V116 PolarHBondContact O-N 3.04Å; F113-T117 WeakPolarHBondContact O-CB 3.46Å; F113-T117 PolarHBondContact O-N 2.91Å; F113-T117 PolarHBondContact O-OG1 3.4Å |
| 114 | A | 65.5 | Low | 67.1 | Low | 8 Ų | 8 | 68.6 Ų | 68.6 | 7% | 0.066 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M91 V94 G110 G111 V112 T117 A118 | M91-A114 HydrophobicContact SD-CB 3.81Å; V94-A114 HydrophobicContact CG1-CB 4.49Å; G110-A114 WeakPolarHBondContact O-CB 3.43Å; G110-A114 PolarHBondContact O-N 3.5Å; G111-A114 PolarHBondContact O-N 3.1Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-A114 PolarHBondContact O-N 2.95Å; A114-T117 PolarHBondContact O-N 3.41Å; A114-A118 WeakPolarHBondContact O-CB 3.26Å; A114-A118 PolarHBondContact O-N 2.89Å |
| 115 | L | 70.7 | Confident | 67 | Low | 79 Ų | 79 | 64.8 Ų | 64.8 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176.7 | -158.6 | 90.3 | 0 | 0 | 0 | 112.1 | S95 G111 V112 T117 A118 V119 | S95-L115 WeakPolarHBondContact OG-CB 3.4Å; S95-L115 VanDerWaalsContact OG-CD1 3.25Å; S95-L115 WeakPolarHBondContact OG-CD1 3.48Å; G111-L115 PolarHBondContact O-N 3.28Å; V112-L115 WeakPolarHBondContact O-CB 3.27Å; V112-L115 PolarHBondContact O-N 3.06Å; L115-T117 VanDerWaalsContact C-N 3.3Å; L115-T117 PolarHBondContact O-N 2.97Å; L115-A118 WeakPolarHBondContact O-CB 3.25Å; L115-A118 PolarHBondContact O-N 3.12Å; L115-V119 WeakPolarHBondContact O-CG2 3.42Å; L115-V119 PolarHBondContact O-N 3.22Å |
| 116 | V | 74.4 | Confident | 67 | Low | 81 Ų | 81 | 61.5 Ų | 61.5 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.9 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | V112 F113 A118 V119 C120 | V112-V116 WeakPolarHBondContact O-CG2 3.46Å; V112-V116 PolarHBondContact O-N 3.08Å; F113-V116 PolarHBondContact O-N 3.04Å; V116-A118 VanDerWaalsContact C-N 3.33Å; V116-A118 PolarHBondContact O-N 2.89Å; V116-V119 PolarHBondContact O-N 3.16Å; V116-C120 PolarHBondContact O-N 2.71Å; V116-C120 PolarHBondContact O-SG 3.42Å; V116-C120 VanDerWaalsContact O-SG 3.33Å |
| 117 | T | 67.9 | Low | 67.3 | Low | 48 Ų | 48 | 59.6 Ų | 59.6 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 176 | -56 | 0 | 0 | 0 | 0 | 111.6 | F113 A114 L115 V119 C120 C121 | F113-T117 WeakPolarHBondContact O-CB 3.46Å; F113-T117 PolarHBondContact O-N 2.91Å; F113-T117 PolarHBondContact O-OG1 3.4Å; A114-T117 PolarHBondContact O-N 3.41Å; L115-T117 VanDerWaalsContact C-N 3.3Å; L115-T117 PolarHBondContact O-N 2.97Å; T117-V119 PolarHBondContact O-N 3.47Å; T117-C120 PolarHBondContact O-N 3.25Å; T117-C121 WeakPolarHBondContact O-CB 2.93Å; T117-C121 PolarHBondContact O-N 3.29Å |
| 118 | A | 64.6 | Low | 67.3 | Low | 5 Ų | 5 | 61.7 Ų | 61.7 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T88 M91 A114 L115 V116 C121 L122 | T88-A118 HydrophobicContact CG2-CB 4.12Å; T88-A118 PolarHBondContact OG1-O 2.82Å; M91-A118 HydrophobicContact CB-CB 3.74Å; A114-A118 WeakPolarHBondContact O-CB 3.26Å; A114-A118 PolarHBondContact O-N 2.89Å; L115-A118 WeakPolarHBondContact O-CB 3.25Å; L115-A118 PolarHBondContact O-N 3.12Å; V116-A118 VanDerWaalsContact C-N 3.33Å; V116-A118 PolarHBondContact O-N 2.89Å; A118-C121 PolarHBondContact O-N 3.47Å; A118-L122 WeakPolarHBondContact O-CB 3.28Å; A118-L122 PolarHBondContact O-N 3.45Å |
| 119 | V | 74.9 | Confident | 66.9 | Low | 91 Ų | 91 | 64 Ų | 64 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L115 V116 T117 L122 A123 | L115-V119 WeakPolarHBondContact O-CG2 3.42Å; L115-V119 PolarHBondContact O-N 3.22Å; V116-V119 PolarHBondContact O-N 3.16Å; T117-V119 PolarHBondContact O-N 3.47Å; V119-L122 PolarHBondContact O-N 3.31Å; V119-A123 WeakPolarHBondContact O-CB 3.4Å; V119-A123 PolarHBondContact O-N 3.48Å |
| 120 | C | 65.6 | Low | 66.7 | Low | 66 Ų | 66 | 69.7 Ų | 69.7 | 45% | 0.446 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.9 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | V116 T117 L122 A123 D124 | V116-C120 PolarHBondContact O-N 2.71Å; V116-C120 PolarHBondContact O-SG 3.42Å; V116-C120 VanDerWaalsContact O-SG 3.33Å; T117-C120 PolarHBondContact O-N 3.25Å; C120-L122 VanDerWaalsContact C-N 3.33Å; C120-L122 PolarHBondContact O-N 3.21Å; C120-A123 PolarHBondContact O-N 2.87Å; C120-D124 PolarHBondContact O-N 3Å |
| 121 | C | 62 | Low | 66.4 | Low | 44 Ų | 44 | 75.8 Ų | 75.8 | 30% | 0.297 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 176.3 | -77.6 | 0 | 0 | 0 | 0 | 112.7 | S84 T117 A118 A123 D124 G125 | S84-C121 PolarHBondContact OG-O 3.41Å; T117-C121 WeakPolarHBondContact O-CB 2.93Å; T117-C121 PolarHBondContact O-N 3.29Å; A118-C121 PolarHBondContact O-N 3.47Å; C121-A123 VanDerWaalsContact C-N 3.34Å; C121-D124 PolarHBondContact O-N 3.23Å; C121-G125 PolarHBondContact O-N 3.36Å |
| 122 | L | 70.8 | Confident | 66 | Low | 93 Ų | 93 | 79.5 Ų | 79.5 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.6 | -168.7 | 81.6 | 0 | 0 | 0 | 111.1 | T88 A118 V119 C120 G125 A126 | T88-L122 HydrophobicContact CG2-CB 4.17Å; T88-L122 HydrophobicContact CG2-CD1 4.06Å; A118-L122 WeakPolarHBondContact O-CB 3.28Å; A118-L122 PolarHBondContact O-N 3.45Å; V119-L122 PolarHBondContact O-N 3.31Å; C120-L122 VanDerWaalsContact C-N 3.33Å; C120-L122 PolarHBondContact O-N 3.21Å; L122-G125 PolarHBondContact O-N 3.07Å; L122-A126 WeakPolarHBondContact O-CB 3.42Å; L122-A126 PolarHBondContact O-N 3.49Å |
| 123 | A | 70.8 | Confident | 65.3 | Low | 48 Ų | 48 | 80.6 Ų | 80.6 | 40% | 0.397 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V119 C120 C121 A126 L127 | V119-A123 WeakPolarHBondContact O-CB 3.4Å; V119-A123 PolarHBondContact O-N 3.48Å; C120-A123 PolarHBondContact O-N 2.87Å; C121-A123 VanDerWaalsContact C-N 3.34Å; A123-A126 PolarHBondContact O-N 2.91Å; A123-L127 WeakPolarHBondContact O-CB 3.23Å; A123-L127 VanDerWaalsContact O-CG 3.23Å; A123-L127 WeakPolarHBondContact O-CG 3.33Å; A123-L127 PolarHBondContact O-N 3.46Å |
| 124 | D | 59.3 | Low | 64.9 | Low | 97 Ų | 97 | 80.8 Ų | 80.8 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.5 | -80.8 | -49 | 0 | 0 | 0 | 112 | C120 C121 A126 L127 I128 | C120-D124 PolarHBondContact O-N 3Å; C121-D124 PolarHBondContact O-N 3.23Å; D124-A126 PolarHBondContact O-N 2.78Å; D124-L127 PolarHBondContact O-N 3.03Å; D124-I128 WeakPolarHBondContact O-CB 3.27Å; D124-I128 VanDerWaalsContact O-CG1 3.27Å; D124-I128 WeakPolarHBondContact O-CG1 3.32Å; D124-I128 PolarHBondContact O-N 3.33Å |
| 125 | G | 61 | Low | 64.1 | Low | 12 Ų | 12 | 84.6 Ų | 84.6 | 12% | 0.124 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | C121 L122 I128 Y129 | C121-G125 PolarHBondContact O-N 3.36Å; L122-G125 PolarHBondContact O-N 3.07Å; G125-I128 PolarHBondContact O-N 3.44Å; G125-Y129 VanDerWaalsContact O-CB 3.32Å; G125-Y129 WeakPolarHBondContact O-CB 3.5Å; G125-Y129 PolarHBondContact O-N 3.45Å |
| 126 | A | 64.1 | Low | 63.1 | Low | 48 Ų | 48 | 86.3 Ų | 86.3 | 40% | 0.397 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L122 A123 D124 Y129 R130 | L122-A126 WeakPolarHBondContact O-CB 3.42Å; L122-A126 PolarHBondContact O-N 3.49Å; A123-A126 PolarHBondContact O-N 2.91Å; D124-A126 PolarHBondContact O-N 2.78Å; A126-Y129 PolarHBondContact O-N 3.27Å; A126-R130 WeakPolarHBondContact O-CB 3.34Å; A126-R130 WeakPolarHBondContact O-CG 3.46Å; A126-R130 PolarHBondContact O-N 3.44Å |
| 127 | L | 67.1 | Low | 61.7 | Low | 111 Ų | 111 | 86.6 Ų | 86.6 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.7 | -43 | 175.4 | -76.3 | 173.9 | 0 | 0 | 0 | 111.1 | A123 D124 R130 K131 | A123-L127 WeakPolarHBondContact O-CB 3.23Å; A123-L127 VanDerWaalsContact O-CG 3.23Å; A123-L127 WeakPolarHBondContact O-CG 3.33Å; A123-L127 PolarHBondContact O-N 3.46Å; D124-L127 PolarHBondContact O-N 3.03Å; L127-R130 PolarHBondContact O-N 3.39Å; L127-K131 VanDerWaalsContact O-CB 3.32Å; L127-K131 WeakPolarHBondContact O-CB 3.37Å; L127-K131 PolarHBondContact O-N 3.46Å |
| 128 | I | 63.5 | Low | 60.8 | Low | 89 Ų | 89 | 86 Ų | 86 | 46% | 0.456 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.5 | -68.2 | 166.2 | 0 | 0 | 0 | 110.2 | D124 G125 K131 L132 | D124-I128 WeakPolarHBondContact O-CB 3.27Å; D124-I128 VanDerWaalsContact O-CG1 3.27Å; D124-I128 WeakPolarHBondContact O-CG1 3.32Å; D124-I128 PolarHBondContact O-N 3.33Å; G125-I128 PolarHBondContact O-N 3.44Å; I128-K131 PolarHBondContact O-N 3.32Å; I128-L132 WeakPolarHBondContact O-CB 3.44Å; I128-L132 PolarHBondContact O-N 3.45Å |
| 129 | Y | 59.2 | Low | 59.8 | Low | 109 Ų | 109 | 91.6 Ų | 91.6 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 175.5 | 178.3 | -109.9 | 0 | 0 | 0 | 111.7 | I81 G125 A126 K131 L132 L133 | I81-Y129 HydrophobicContact CD1-CD2 3.54Å; I81-Y129 HydrophobicContact CD1-CG 4.17Å; G125-Y129 VanDerWaalsContact O-CB 3.32Å; G125-Y129 WeakPolarHBondContact O-CB 3.5Å; G125-Y129 PolarHBondContact O-N 3.45Å; A126-Y129 PolarHBondContact O-N 3.27Å; Y129-K131 PolarHBondContact O-N 3.46Å; Y129-L132 WeakPolarHBondContact O-CB 3.4Å; Y129-L132 PolarHBondContact O-N 2.72Å; Y129-L132 VanDerWaalsContact O-N 3.15Å; Y129-L133 HydrophobicContact CE1-CD2 4.18Å; Y129-L133 WeakPolarHBondContact O-CB 3.4Å; Y129-L133 PolarHBondContact O-N 2.94Å |
| 130 | R | 64.6 | Low | 58.3 | Low | 163 Ų | 163 | 97.7 Ų | 97.7 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 175.4 | -79.7 | -159.6 | 178.9 | -159.8 | 3.6 | 111.7 | A126 L127 L132 L133 F134 | A126-R130 WeakPolarHBondContact O-CB 3.34Å; A126-R130 WeakPolarHBondContact O-CG 3.46Å; A126-R130 PolarHBondContact O-N 3.44Å; L127-R130 PolarHBondContact O-N 3.39Å; R130-L132 PolarHBondContact O-N 3.23Å; R130-L133 PolarHBondContact O-N 3.46Å; R130-F134 HydrophobicContact CB-CD2 4.12Å; R130-F134 HydrophobicContact CB-CE2 4.41Å; R130-F134 HydrophobicContact CG-CD2 4.43Å; R130-F134 HydrophobicContact CG-CE2 4.22Å; R130-F134 WeakPolarHBondContact O-CB 3.43Å; R130-F134 VanDerWaalsContact O-CD2 3.25Å; R130-F134 WeakPolarHBondContact O-CD2 3.45Å; R130-F134 PolarHBondContact O-N 3.11Å |
| 131 | K | 61 | Low | 56.9 | Low | 167 Ų | 167 | 102.5 Ų | 102.5 | 73% | 0.726 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.9 | -31.9 | 176.2 | -141.5 | 174.9 | -165 | 178 | 0 | 111.4 | L127 I128 Y129 N135 | L127-K131 VanDerWaalsContact O-CB 3.32Å; L127-K131 WeakPolarHBondContact O-CB 3.37Å; L127-K131 PolarHBondContact O-N 3.46Å; I128-K131 PolarHBondContact O-N 3.32Å; Y129-K131 PolarHBondContact O-N 3.46Å; K131-N135 VanDerWaalsContact O-CB 3.26Å; K131-N135 WeakPolarHBondContact O-CB 3.43Å; K131-N135 PolarHBondContact O-N 3.03Å; K131-N135 VanDerWaalsContact O-N 3.14Å |
| 132 | L | 58.8 | Low | 55.8 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 41% | 0.414 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -74.6 | -41.8 | 174.7 | -138.2 | 91.1 | 0 | 0 | 0 | 112.5 | P77 I128 Y129 R130 | P77-L132 HydrophobicContact CB-CD1 4.04Å; P77-L132 HydrophobicContact CB-CD2 3.52Å; P77-L132 HydrophobicContact CB-CG 4.45Å; P77-L132 HydrophobicContact CG-CD1 4.27Å; P77-L132 HydrophobicContact CG-CD2 3.92Å; I128-L132 WeakPolarHBondContact O-CB 3.44Å; I128-L132 PolarHBondContact O-N 3.45Å; Y129-L132 WeakPolarHBondContact O-CB 3.4Å; Y129-L132 PolarHBondContact O-N 2.72Å; Y129-L132 VanDerWaalsContact O-N 3.15Å; R130-L132 PolarHBondContact O-N 3.23Å |
| 133 | L | 59.7 | Low | 54.1 | Low | 103 Ų | 103 | 113.9 Ų | 113.9 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.9 | -38.1 | -177 | -162.8 | 74.5 | 0 | 0 | 0 | 111.9 | Y129 R130 | Y129-L133 HydrophobicContact CE1-CD2 4.18Å; Y129-L133 WeakPolarHBondContact O-CB 3.4Å; Y129-L133 PolarHBondContact O-N 2.94Å; R130-L133 PolarHBondContact O-N 3.46Å |
| 134 | F | 56.9 | Low | 52.6 | Low | 155 Ų | 155 | 117 Ų | 117 | 68% | 0.68 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -94 | -14.5 | -178.2 | -71 | -72.4 | 0 | 0 | 0 | 114.1 | R130 P136 | R130-F134 HydrophobicContact CB-CD2 4.12Å; R130-F134 HydrophobicContact CB-CE2 4.41Å; R130-F134 HydrophobicContact CG-CD2 4.43Å; R130-F134 HydrophobicContact CG-CE2 4.22Å; R130-F134 WeakPolarHBondContact O-CB 3.43Å; R130-F134 VanDerWaalsContact O-CD2 3.25Å; R130-F134 WeakPolarHBondContact O-CD2 3.45Å; R130-F134 PolarHBondContact O-N 3.11Å; F134-P136 VanDerWaalsContact C-CD 3.49Å |
| 135 | N | 49.4 | Very low | 52.2 | Low | 89 Ų | 89 | 118.8 Ų | 118.8 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | trans | -124.6 | 78 | 172 | -174.8 | 90.2 | 0 | 0 | 0 | 110 | K131 S137 | K131-N135 VanDerWaalsContact O-CB 3.26Å; K131-N135 WeakPolarHBondContact O-CB 3.43Å; K131-N135 PolarHBondContact O-N 3.03Å; K131-N135 VanDerWaalsContact O-N 3.14Å; N135-S137 PolarHBondContact ND2-O 3.42Å; N135-S137 PolarHBondContact O-N 3.02Å | ||
| 136 | P | 49.8 | Very low | 51.4 | Low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 64% | 0.64 | S | S | * | * | trans | -65.6 | -0.8 | 171.5 | 27.5 | -33.5 | 0 | 0 | 0 | 113.1 | F134 G138 | F134-P136 VanDerWaalsContact C-CD 3.49Å; P136-G138 PolarHBondContact O-N 3.39Å | ||
| 137 | S | 44.5 | Very low | 50.5 | Low | 86 Ų | 86 | 130.8 Ų | 130.8 | 60% | 0.601 | 65% | 0.653 | S | S | * | * | trans | -72.4 | 55.2 | 172.8 | -46.5 | 0 | 0 | 0 | 0 | 111.9 | N135 | N135-S137 PolarHBondContact ND2-O 3.42Å; N135-S137 PolarHBondContact O-N 3.02Å | ||
| 138 | G | 49.3 | Very low | 49.4 | Very low | 36 Ų | 36 | 136.2 Ų | 136.2 | 37% | 0.371 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -64.5 | 162.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P136 Y140 | P136-G138 PolarHBondContact O-N 3.39Å; G138-Y140 PolarHBondContact O-N 3.06Å |
| 139 | P | 43.2 | Very low | 48.6 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 15.7 | -178.2 | -15.7 | 29.5 | 0 | 0 | 0 | 115.3 | Q141 | P139-Q141 VanDerWaalsContact C-N 3.3Š|
| 140 | Y | 43.6 | Very low | 48.2 | Very low | 220 Ų | 220 | 141 Ų | 141 | 86% | 0.863 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 17.8 | 177 | -95 | -81 | 0 | 0 | 0 | 113.2 | G138 K142 | G138-Y140 PolarHBondContact O-N 3.06Å; Y140-K142 VanDerWaalsContact C-N 3.25Å; Y140-K142 PolarHBondContact O-N 3.45Å |
| 141 | Q | 36.6 | Very low | 47.6 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | trans | -68.4 | 94.4 | 153.7 | -95 | -149.7 | -1 | 0 | 0 | 108.3 | P139 K143 | P139-Q141 VanDerWaalsContact C-N 3.3Å; Q141-K143 VanDerWaalsContact C-N 3.32Å; Q141-K143 PolarHBondContact O-N 3.37Å | ||
| 142 | K | 38.6 | Very low | 46.9 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | -52.6 | 105.9 | 150.9 | -78.1 | -174.8 | 178.3 | -179.2 | 0 | 106.1 | Y140 P144 | Y140-K142 VanDerWaalsContact C-N 3.25Å; Y140-K142 PolarHBondContact O-N 3.45Å; K142-P144 WeakPolarHBondContact O-CD 3.44Å | ||
| 143 | K | 34.9 | Very low | 46.3 | Very low | 182 Ų | 182 | 146 Ų | 146 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -57.9 | 117.5 | 158.6 | -77.4 | -172.3 | 176.1 | -171.6 | 0 | 105.8 | Q141 V145 | Q141-K143 VanDerWaalsContact C-N 3.32Å; Q141-K143 PolarHBondContact O-N 3.37Å; K143-V145 PolarHBondContact O-N 2.92Å; K143-V145 VanDerWaalsContact O-N 3.09Å | ||
| 144 | P | 40.4 | Very low | 45.6 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | trans | -63.2 | 117.6 | 168.6 | 25.4 | -29.4 | 0 | 0 | 0 | 106.8 | K142 H146 | K142-P144 WeakPolarHBondContact O-CD 3.44Å; P144-H146 PolarHBondContact O-N 2.87Å | ||
| 145 | V | 50.9 | Low | 44.9 | Very low | 133 Ų | 133 | 147.8 Ų | 147.8 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -67.1 | 92.8 | 159.3 | 176.4 | 0 | 0 | 0 | 0 | 105.2 | K143 | K143-V145 PolarHBondContact O-N 2.92Å; K143-V145 VanDerWaalsContact O-N 3.09Å | ||
| 146 | H | 43.7 | Very low | 44.7 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | -101.1 | 91.3 | 153.8 | -98.9 | -1.2 | 0 | 0 | 0 | 105.9 | P144 | P144-H146 PolarHBondContact O-N 2.87Š| ||
| 147 | E | 45.3 | Very low | 44.3 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | 57.7 | 86.2 | 102.8 | -89.1 | -132 | 111.2 | 0 | 0 | 110.4 | K149 | E147-K149 PolarHBondContact O-N 2.99Š| |||
| 148 | R | 43.1 | Very low | 44.3 | Very low | 226 Ų | 226 | 158.1 Ų | 158.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -61.7 | 91.5 | 156.5 | -177.5 | -169.4 | -64.4 | -138.6 | 1.6 | 106.7 | V150 | R148-V150 VanDerWaalsContact C-N 3.3Å; R148-V150 HydrophobicContact CG-CG2 3.84Å; R148-V150 PolarHBondContact O-N 3.4Å | ||
| 149 | K | 46.8 | Very low | 44 | Very low | 183 Ų | 183 | 166.8 Ų | 166.8 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | trans | -64.4 | 97.2 | 159.6 | -82 | -168.1 | 178.1 | -174.3 | 0 | 107.7 | E147 | E147-K149 PolarHBondContact O-N 2.99Š| ||
| 150 | V | 51.1 | Low | 44 | Very low | 115 Ų | 115 | 170.2 Ų | 170.2 | 70% | 0.697 | 82% | 0.819 | S | S | * | * | trans | -126.9 | 86.8 | 155.5 | 176.6 | 0 | 0 | 0 | 0 | 106.1 | R148 | R148-V150 VanDerWaalsContact C-N 3.3Å; R148-V150 HydrophobicContact CG-CG2 3.84Å; R148-V150 PolarHBondContact O-N 3.4Å | ||
| 151 | V | 51.8 | Low | 44.1 | Very low | 131 Ų | 131 | 166.1 Ų | 166.1 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -158.9 | 115.8 | 156.6 | -159.6 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 152 | L | 45.8 | Very low | 44.8 | Very low | 236 Ų | 236 | 166 Ų | 166 | 100% | 1.236 | 82% | 0.819 | S | S | * | * | cis | -151.5 | 0 | 27.4 | -154 | 133.5 | 0 | 0 | 0 | 108.4 |
Retrieved 152 of 152 residues in 72.5 ms
(Link to these results)