| 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 | 43.7 | Very low | 55.7 | Low | 238 Ų | 238 | 113.3 Ų | 113.3 | 100% | 1.172 | 66% | 0.664 | S | S | * | * | 0 | 91.5 | 0 | -71.9 | -89.7 | 111.1 | 0 | 0 | 106.5 | |||||
| 2 | S | 48.3 | Very low | 55.8 | Low | 124 Ų | 124 | 120.8 Ų | 120.8 | 87% | 0.867 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 119.4 | -177.2 | -55.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 3 | S | 57 | Low | 56 | Low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134 | 178.9 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 4 | P | 57.8 | Low | 56.4 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 66% | 0.656 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 138.9 | 175.7 | 25.7 | -30.1 | 0 | 0 | 0 | 110.2 | ||
| 5 | S | 59 | Low | 56.8 | Low | 50 Ų | 50 | 115.8 Ų | 115.8 | 35% | 0.35 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 140 | 179.7 | 79.9 | 0 | 0 | 0 | 0 | 110.4 | S7 D8 L9 | S5-S7 PolarHBondContact O-N 2.85Å; S5-D8 PolarHBondContact O-N 3.31Å; S5-D8 PolarHBondContact OG-N 3.41Å; S5-D8 PolarHBondContact OG-OD2 3.47Å; S5-L9 PolarHBondContact O-N 2.82Å |
| 6 | L | 57.2 | Low | 57.3 | Low | 159 Ų | 159 | 111.7 Ų | 111.7 | 83% | 0.832 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.4 | -24.9 | 176.5 | -73 | 167.8 | 0 | 0 | 0 | 112.3 | L9 G10 | L6-L9 PolarHBondContact O-N 3.49Å; L6-G10 PolarHBondContact O-N 3.37Å |
| 7 | S | 60.5 | Low | 57.8 | Low | 80 Ų | 80 | 110.8 Ų | 110.8 | 56% | 0.559 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.9 | -31.8 | 175.4 | -42 | 0 | 0 | 0 | 0 | 113.7 | S5 K11 | S5-S7 PolarHBondContact O-N 2.85Å; S7-K11 WeakPolarHBondContact O-CG 3.46Å; S7-K11 PolarHBondContact O-N 2.9Å |
| 8 | D | 55.8 | Low | 58.3 | Low | 94 Ų | 94 | 110.3 Ų | 110.3 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -78.7 | -28.7 | 176.1 | -74.3 | -45.1 | 0 | 0 | 0 | 112 | S5 R12 | S5-D8 PolarHBondContact O-N 3.31Å; S5-D8 PolarHBondContact OG-N 3.41Å; S5-D8 PolarHBondContact OG-OD2 3.47Å; D8-R12 VanDerWaalsContact O-CB 3.22Å; D8-R12 WeakPolarHBondContact O-CB 3.22Å; D8-R12 PolarHBondContact O-N 3.08Å |
| 9 | L | 55.6 | Low | 58.6 | Low | 98 Ų | 98 | 111.7 Ų | 111.7 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -48.1 | 174 | -120.4 | 94 | 0 | 0 | 0 | 111 | S5 L6 K11 R12 E13 | S5-L9 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 3.49Å; L9-K11 PolarHBondContact O-N 2.91Å; L9-R12 PolarHBondContact O-N 3Å; L9-E13 WeakPolarHBondContact O-CB 3.42Å; L9-E13 PolarHBondContact O-N 3.17Å |
| 10 | G | 57.6 | Low | 59 | Low | 41 Ų | 41 | 115.7 Ų | 115.7 | 42% | 0.423 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.5 | -36 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L6 Q14 | L6-G10 PolarHBondContact O-N 3.37Å; G10-Q14 WeakPolarHBondContact O-CB 3.46Å; G10-Q14 PolarHBondContact O-N 3.08Å |
| 11 | K | 60.4 | Low | 59.4 | Low | 148 Ų | 148 | 111.6 Ų | 111.6 | 64% | 0.643 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.6 | -37.9 | 174.2 | -72.8 | 177.1 | -177.7 | 177.4 | 0 | 112.4 | S7 L9 A15 | S7-K11 WeakPolarHBondContact O-CG 3.46Å; S7-K11 PolarHBondContact O-N 2.9Å; L9-K11 PolarHBondContact O-N 2.91Å; K11-A15 VanDerWaalsContact O-CB 3.26Å; K11-A15 WeakPolarHBondContact O-CB 3.43Å; K11-A15 PolarHBondContact O-N 3.08Å |
| 12 | R | 56.6 | Low | 60.7 | Low | 203 Ų | 203 | 102.7 Ų | 102.7 | 77% | 0.766 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.6 | -35.3 | 177.4 | -168.3 | 175.9 | -170.1 | 167.2 | 2.8 | 112 | D8 L9 A16 | D8-R12 VanDerWaalsContact O-CB 3.22Å; D8-R12 WeakPolarHBondContact O-CB 3.22Å; D8-R12 PolarHBondContact O-N 3.08Å; L9-R12 PolarHBondContact O-N 3Å; R12-A16 WeakPolarHBondContact O-CB 3.37Å; R12-A16 PolarHBondContact O-N 3.45Å |
| 13 | E | 58.1 | Low | 61.8 | Low | 125 Ų | 125 | 101.8 Ų | 101.8 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.5 | -42.4 | 175.4 | -166.2 | 169 | -171.3 | 0 | 0 | 111.3 | L9 A16 L17 | L9-E13 WeakPolarHBondContact O-CB 3.42Å; L9-E13 PolarHBondContact O-N 3.17Å; E13-A16 PolarHBondContact O-N 2.97Å; E13-L17 WeakPolarHBondContact O-CB 3.36Å; E13-L17 VanDerWaalsContact O-CG 3.26Å; E13-L17 WeakPolarHBondContact O-CG 3.37Å; E13-L17 PolarHBondContact O-N 3.3Å |
| 14 | Q | 62.1 | Low | 62.5 | Low | 115 Ų | 115 | 102.8 Ų | 102.8 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 173.8 | -162.2 | 68.1 | 34.8 | 0 | 0 | 112.2 | G10 L17 D18 | G10-Q14 WeakPolarHBondContact O-CB 3.46Å; G10-Q14 PolarHBondContact O-N 3.08Å; Q14-L17 PolarHBondContact O-N 3.49Å; Q14-D18 PolarHBondContact O-N 3.32Å |
| 15 | A | 63 | Low | 63.1 | Low | 48 Ų | 48 | 106.2 Ų | 106.2 | 40% | 0.397 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K11 D18 E19 | K11-A15 VanDerWaalsContact O-CB 3.26Å; K11-A15 WeakPolarHBondContact O-CB 3.43Å; K11-A15 PolarHBondContact O-N 3.08Å; A15-D18 PolarHBondContact O-N 3.46Å; A15-E19 WeakPolarHBondContact O-CB 3.45Å; A15-E19 WeakPolarHBondContact O-CG 3.2Å; A15-E19 PolarHBondContact O-N 2.69Å |
| 16 | A | 64.7 | Low | 63.9 | Low | 50 Ų | 50 | 110.5 Ų | 110.5 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.4 | -33.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R12 E13 R20 | R12-A16 WeakPolarHBondContact O-CB 3.37Å; R12-A16 PolarHBondContact O-N 3.45Å; E13-A16 PolarHBondContact O-N 2.97Å; A16-R20 VanDerWaalsContact O-CB 3.25Å; A16-R20 WeakPolarHBondContact O-CB 3.09Å; A16-R20 PolarHBondContact O-N 3.04Å |
| 17 | L | 64.5 | Low | 64.7 | Low | 97 Ų | 97 | 105.2 Ų | 105.2 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.2 | -40.2 | 173.7 | -73.8 | 173.4 | 0 | 0 | 0 | 111.8 | E13 Q14 R20 G21 | E13-L17 WeakPolarHBondContact O-CB 3.36Å; E13-L17 VanDerWaalsContact O-CG 3.26Å; E13-L17 WeakPolarHBondContact O-CG 3.37Å; E13-L17 PolarHBondContact O-N 3.3Å; Q14-L17 PolarHBondContact O-N 3.49Å; L17-R20 PolarHBondContact O-N 2.88Å; L17-G21 PolarHBondContact O-N 2.92Å |
| 18 | D | 66.9 | Low | 65.4 | Low | 102 Ų | 102 | 104.8 Ų | 104.8 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 175.5 | -76.4 | -17.8 | 0 | 0 | 0 | 112.1 | Q14 A15 G21 T22 | Q14-D18 PolarHBondContact O-N 3.32Å; A15-D18 PolarHBondContact O-N 3.46Å; D18-G21 PolarHBondContact O-N 3.12Å; D18-T22 WeakPolarHBondContact O-CG2 3.4Å; D18-T22 PolarHBondContact O-N 3.33Å; D18-T22 PolarHBondContact O-OG1 3.31Å |
| 19 | E | 65.3 | Low | 66.5 | Low | 136 Ų | 136 | 101.6 Ų | 101.6 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 171.8 | -78.7 | -175.9 | 175 | 0 | 0 | 111.7 | A15 G21 T22 Q23 | A15-E19 WeakPolarHBondContact O-CB 3.45Å; A15-E19 WeakPolarHBondContact O-CG 3.2Å; A15-E19 PolarHBondContact O-N 2.69Å; E19-G21 VanDerWaalsContact C-N 3.31Å; E19-G21 PolarHBondContact O-N 2.84Å; E19-T22 WeakPolarHBondContact CA-OG1 3.49Å; E19-T22 PolarHBondContact O-N 3.46Å; E19-T22 PolarHBondContact O-OG1 2.99Å; E19-Q23 VanDerWaalsContact O-CB 3.31Å; E19-Q23 WeakPolarHBondContact O-CB 3.2Å; E19-Q23 PolarHBondContact O-N 3.12Å |
| 20 | R | 66.1 | Low | 67.9 | Low | 192 Ų | 192 | 101.3 Ų | 101.3 | 73% | 0.725 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -38.1 | 175 | -168.9 | 179 | -72 | -157.6 | -1.6 | 111.6 | A16 L17 Q24 | A16-R20 VanDerWaalsContact O-CB 3.25Å; A16-R20 WeakPolarHBondContact O-CB 3.09Å; A16-R20 PolarHBondContact O-N 3.04Å; L17-R20 PolarHBondContact O-N 2.88Å; R20-Q24 VanDerWaalsContact O-CB 3.29Å; R20-Q24 WeakPolarHBondContact O-CB 3.4Å; R20-Q24 PolarHBondContact O-N 3.13Å |
| 21 | G | 67.9 | Low | 69.4 | Low | 30 Ų | 30 | 102.2 Ų | 102.2 | 31% | 0.309 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -32 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L17 D18 E19 R25 | L17-G21 PolarHBondContact O-N 2.92Å; D18-G21 PolarHBondContact O-N 3.12Å; E19-G21 VanDerWaalsContact C-N 3.31Å; E19-G21 PolarHBondContact O-N 2.84Å; G21-R25 WeakPolarHBondContact O-CG 3.37Å; G21-R25 PolarHBondContact O-N 2.94Å; G21-R25 PolarHBondContact O-NE 3.34Å |
| 22 | T | 69.5 | Low | 70.8 | Confident | 51 Ų | 51 | 96.3 Ų | 96.3 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -78.3 | -38.3 | 173.8 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | D18 E19 R25 R26 | D18-T22 WeakPolarHBondContact O-CG2 3.4Å; D18-T22 PolarHBondContact O-N 3.33Å; D18-T22 PolarHBondContact O-OG1 3.31Å; E19-T22 WeakPolarHBondContact CA-OG1 3.49Å; E19-T22 PolarHBondContact O-N 3.46Å; E19-T22 PolarHBondContact O-OG1 2.99Å; T22-R25 PolarHBondContact O-N 3.1Å; T22-R26 PolarHBondContact O-N 3.16Å |
| 23 | Q | 71.3 | Confident | 72.3 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 172.7 | -163.8 | 85.4 | -11.1 | 0 | 0 | 111.1 | E19 R25 R26 A27 | E19-Q23 VanDerWaalsContact O-CB 3.31Å; E19-Q23 WeakPolarHBondContact O-CB 3.2Å; E19-Q23 PolarHBondContact O-N 3.12Å; Q23-R25 PolarHBondContact O-N 3.31Å; Q23-R26 PolarHBondContact O-N 2.91Å; Q23-A27 WeakPolarHBondContact O-CB 3.23Å; Q23-A27 PolarHBondContact O-N 2.93Å |
| 24 | Q | 71.8 | Confident | 73.9 | Confident | 133 Ų | 133 | 86.8 Ų | 86.8 | 62% | 0.621 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 178 | -175.1 | 63.9 | 17 | 0 | 0 | 112.1 | R20 A27 C28 | R20-Q24 VanDerWaalsContact O-CB 3.29Å; R20-Q24 WeakPolarHBondContact O-CB 3.4Å; R20-Q24 PolarHBondContact O-N 3.13Å; Q24-A27 PolarHBondContact O-N 2.82Å; Q24-C28 WeakPolarHBondContact O-CB 3.35Å; Q24-C28 PolarHBondContact O-N 3.36Å |
| 25 | R | 71.6 | Confident | 75.4 | Confident | 174 Ų | 174 | 84 Ų | 84 | 66% | 0.657 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 174.7 | -83.1 | -173.7 | -80.4 | -174.2 | -4.2 | 112 | G21 T22 Q23 C28 S29 | G21-R25 WeakPolarHBondContact O-CG 3.37Å; G21-R25 PolarHBondContact O-N 2.94Å; G21-R25 PolarHBondContact O-NE 3.34Å; T22-R25 PolarHBondContact O-N 3.1Å; Q23-R25 PolarHBondContact O-N 3.31Å; R25-C28 PolarHBondContact O-N 2.87Å; R25-S29 PolarHBondContact O-N 3.16Å; R25-S29 PolarHBondContact O-OG 2.92Å |
| 26 | R | 74.6 | Confident | 76.9 | Confident | 139 Ų | 139 | 81.8 Ų | 81.8 | 53% | 0.525 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -45 | 174.7 | -83.6 | -173.6 | -109.9 | 115.5 | 1.2 | 112.2 | T22 Q23 C28 S29 N30 | T22-R26 PolarHBondContact O-N 3.16Å; Q23-R26 PolarHBondContact O-N 2.91Å; R26-C28 VanDerWaalsContact C-N 3.33Å; R26-C28 PolarHBondContact O-N 2.84Å; R26-S29 PolarHBondContact O-N 3.21Å; R26-N30 VanDerWaalsContact O-CG 3.27Å; R26-N30 PolarHBondContact O-N 3.48Å; R26-N30 PolarHBondContact O-ND2 2.87Å |
| 27 | A | 74.6 | Confident | 78.4 | Confident | 49 Ų | 49 | 80.9 Ų | 80.9 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q23 Q24 N30 A31 | Q23-A27 WeakPolarHBondContact O-CB 3.23Å; Q23-A27 PolarHBondContact O-N 2.93Å; Q24-A27 PolarHBondContact O-N 2.82Å; A27-N30 PolarHBondContact O-N 3.22Å; A27-A31 PolarHBondContact O-N 2.81Å |
| 28 | C | 75.1 | Confident | 79.9 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 47% | 0.473 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 176.5 | -170.3 | 0 | 0 | 0 | 0 | 112.4 | Q24 R25 R26 N30 A31 T32 | Q24-C28 WeakPolarHBondContact O-CB 3.35Å; Q24-C28 PolarHBondContact O-N 3.36Å; R25-C28 PolarHBondContact O-N 2.87Å; R26-C28 VanDerWaalsContact C-N 3.33Å; R26-C28 PolarHBondContact O-N 2.84Å; C28-N30 VanDerWaalsContact C-N 3.3Å; C28-N30 PolarHBondContact O-N 2.97Å; C28-A31 PolarHBondContact O-N 3.46Å; C28-T32 PolarHBondContact O-N 3.3Å; C28-T32 PolarHBondContact O-OG1 3.01Å |
| 29 | S | 80 | Confident | 81.3 | Confident | 28 Ų | 28 | 76.2 Ų | 76.2 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 173.7 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | R25 R26 T32 W33 | R25-S29 PolarHBondContact O-N 3.16Å; R25-S29 PolarHBondContact O-OG 2.92Å; R26-S29 PolarHBondContact O-N 3.21Å; S29-T32 WeakPolarHBondContact O-CB 3.44Å; S29-T32 PolarHBondContact O-N 2.92Å; S29-W33 PolarHBondContact O-N 2.78Å |
| 30 | N | 83.9 | Confident | 82.8 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 177.6 | -71.4 | -14.3 | 0 | 0 | 0 | 112.6 | R26 A27 C28 T32 W33 N34 | R26-N30 VanDerWaalsContact O-CG 3.27Å; R26-N30 PolarHBondContact O-N 3.48Å; R26-N30 PolarHBondContact O-ND2 2.87Å; A27-N30 PolarHBondContact O-N 3.22Å; C28-N30 VanDerWaalsContact C-N 3.3Å; C28-N30 PolarHBondContact O-N 2.97Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.43Å; N30-W33 PolarHBondContact O-N 2.93Å; N30-N34 PolarHBondContact O-N 3.17Å; N30-N34 PolarHBondContact O-ND2 3.06Å |
| 31 | A | 89.1 | Confident | 84.2 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A27 C28 N34 S35 | A27-A31 PolarHBondContact O-N 2.81Å; C28-A31 PolarHBondContact O-N 3.46Å; A31-N34 PolarHBondContact O-N 3.33Å; A31-S35 PolarHBondContact O-N 3.4Å |
| 32 | T | 90.3 | Very high | 85.6 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 15% | 0.153 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.4 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | C28 S29 N30 N34 S35 I36 G60 L64 | C28-T32 PolarHBondContact O-N 3.3Å; C28-T32 PolarHBondContact O-OG1 3.01Å; S29-T32 WeakPolarHBondContact O-CB 3.44Å; S29-T32 PolarHBondContact O-N 2.92Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.43Å; T32-N34 PolarHBondContact O-N 3.44Å; T32-S35 PolarHBondContact O-N 3.43Å; T32-I36 HydrophobicContact CG2-CD1 4.15Å; T32-I36 WeakPolarHBondContact O-CG1 3.34Å; T32-I36 PolarHBondContact O-N 2.78Å; T32-I36 VanDerWaalsContact O-N 3.07Å; T32-G60 VanDerWaalsContact CG2-CA 3.43Å; T32-L64 HydrophobicContact CG2-CD1 3.96Å; T32-L64 HydrophobicContact CG2-CG 4.15Å |
| 33 | W | 88.4 | Confident | 87 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 11% | 0.114 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 174.2 | -81 | 118.3 | 0 | 0 | 0 | 112.7 | S29 N30 S35 I36 H37 L64 L69 F73 Y76 | S29-W33 PolarHBondContact O-N 2.78Å; N30-W33 PolarHBondContact O-N 2.93Å; W33-S35 VanDerWaalsContact C-N 3.29Å; W33-S35 PolarHBondContact O-N 3.32Å; W33-I36 PolarHBondContact O-N 2.79Å; W33-H37 WeakPolarHBondContact O-CB 3.47Å; W33-H37 PolarHBondContact O-N 2.66Å; W33-L64 HydrophobicContact CD2-CD1 3.56Å; W33-L64 HydrophobicContact CD2-CD2 3.98Å; W33-L64 HydrophobicContact CD2-CG 4.42Å; W33-L64 HydrophobicContact CE3-CD1 3.74Å; W33-L64 HydrophobicContact CG-CD1 4.08Å; W33-L64 HydrophobicContact CG-CD2 4.2Å; W33-L64 HydrophobicContact CH2-CD1 4.15Å; W33-L64 HydrophobicContact CZ2-CB 4.48Å; W33-L64 HydrophobicContact CZ2-CD1 3.97Å; W33-L64 HydrophobicContact CZ2-CD2 3.7Å; W33-L64 HydrophobicContact CZ2-CG 4.27Å; W33-L64 HydrophobicContact CZ3-CD1 4Å; W33-L69 HydrophobicContact CZ2-CB 3.92Å; W33-L69 HydrophobicContact CZ2-CD1 4.38Å; W33-F73 AromaticContact CH2-CD2 3.59Å; W33-F73 HydrophobicContact CH2-CD2 3.59Å; W33-F73 HydrophobicContact CH2-CE2 4.03Å; W33-F73 HydrophobicContact CZ3-CD2 4.01Å; W33-F73 AromaticContact CZ3-CE2 3.99Å; W33-F73 HydrophobicContact CZ3-CE2 3.99Å; W33-Y76 AromaticContact CE3-CD1 3.94Å; W33-Y76 HydrophobicContact CE3-CD1 3.94Å; W33-Y76 AromaticContact CE3-CE1 3.51Å; W33-Y76 HydrophobicContact CE3-CE1 3.51Å; W33-Y76 HydrophobicContact CE3-CE2 4.32Å; W33-Y76 HydrophobicContact CE3-CG 4.46Å; W33-Y76 AromaticContact CE3-CZ 3.74Å; W33-Y76 HydrophobicContact CH2-CD1 4.02Å; W33-Y76 HydrophobicContact CH2-CE1 4.44Å; W33-Y76 HydrophobicContact CH2-CG 4.21Å; W33-Y76 AromaticContact CZ3-CD1 3.26Å; W33-Y76 HydrophobicContact CZ3-CD1 3.26Å; W33-Y76 HydrophobicContact CZ3-CD2 4.37Å; W33-Y76 AromaticContact CZ3-CE1 3.32Å; W33-Y76 HydrophobicContact CZ3-CE1 3.32Å; W33-Y76 HydrophobicContact CZ3-CE2 4.45Å; W33-Y76 AromaticContact CZ3-CG 3.8Å; W33-Y76 HydrophobicContact CZ3-CG 3.8Å; W33-Y76 AromaticContact CZ3-CZ 3.96Å |
| 34 | N | 91.8 | Very high | 88.2 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | -179.8 | -72.5 | -24.8 | 0 | 0 | 0 | 111.7 | N30 A31 T32 H37 N38 | N30-N34 PolarHBondContact O-N 3.17Å; N30-N34 PolarHBondContact O-ND2 3.06Å; A31-N34 PolarHBondContact O-N 3.33Å; T32-N34 PolarHBondContact O-N 3.44Å; N34-H37 PolarHBondContact O-N 2.8Å; N34-N38 WeakPolarHBondContact O-CB 3.22Å; N34-N38 PolarHBondContact O-N 3.21Å; N34-N38 PolarHBondContact O-ND2 3.14Å |
| 35 | S | 94.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.2 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | A31 T32 W33 H37 N38 G39 | A31-S35 PolarHBondContact O-N 3.4Å; T32-S35 PolarHBondContact O-N 3.43Å; W33-S35 VanDerWaalsContact C-N 3.29Å; W33-S35 PolarHBondContact O-N 3.32Å; S35-H37 PolarHBondContact O-N 2.66Å; S35-N38 PolarHBondContact O-N 2.84Å; S35-G39 PolarHBondContact O-N 2.92Å |
| 36 | I | 94.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 177.7 | -66.9 | 160.6 | 0 | 0 | 0 | 111.6 | T32 W33 G39 V40 L57 V61 L64 L81 F124 | T32-I36 HydrophobicContact CG2-CD1 4.15Å; T32-I36 WeakPolarHBondContact O-CG1 3.34Å; T32-I36 PolarHBondContact O-N 2.78Å; T32-I36 VanDerWaalsContact O-N 3.07Å; W33-I36 PolarHBondContact O-N 2.79Å; I36-G39 PolarHBondContact O-N 2.99Å; I36-V40 HydrophobicContact CG2-CG2 4.46Å; I36-V40 WeakPolarHBondContact O-CB 3.4Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.34Å; I36-V40 PolarHBondContact O-N 3.47Å; I36-L57 HydrophobicContact CG1-CD2 4.09Å; I36-V61 HydrophobicContact CD1-CG2 3.72Å; I36-V61 HydrophobicContact CG1-CG2 4.18Å; I36-V61 HydrophobicContact CG2-CG2 4.45Å; I36-L64 HydrophobicContact CD1-CD1 3.39Å; I36-L81 HydrophobicContact CG2-CD1 4.45Å; I36-F124 HydrophobicContact CG2-CE1 3.97Å; I36-F124 HydrophobicContact CG2-CZ 4.13Å |
| 37 | H | 94.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.4 | -51.4 | 176.6 | -177.9 | 84.2 | 0 | 0 | 0 | 111.5 | W33 N34 S35 G39 V40 I41 L81 | W33-H37 WeakPolarHBondContact O-CB 3.47Å; W33-H37 PolarHBondContact O-N 2.66Å; N34-H37 PolarHBondContact O-N 2.8Å; S35-H37 PolarHBondContact O-N 2.66Å; H37-G39 PolarHBondContact O-N 3.03Å; H37-V40 PolarHBondContact O-N 3Å; H37-I41 VanDerWaalsContact O-CG1 3.28Å; H37-I41 WeakPolarHBondContact O-CG1 3.34Å; H37-I41 PolarHBondContact O-N 3.13Å; H37-L81 HydrophobicContact CB-CD2 4.11Å; H37-L81 VanDerWaalsContact ND1-CD2 3.32Å; H37-L81 WeakPolarHBondContact ND1-CD2 3.44Å |
| 38 | N | 95.5 | Very high | 91.9 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | -178.6 | -71.2 | -23.4 | 0 | 0 | 0 | 112 | N34 S35 V40 I41 A42 | N34-N38 WeakPolarHBondContact O-CB 3.22Å; N34-N38 PolarHBondContact O-N 3.21Å; N34-N38 PolarHBondContact O-ND2 3.14Å; S35-N38 PolarHBondContact O-N 2.84Å; N38-V40 PolarHBondContact O-N 2.9Å; N38-I41 PolarHBondContact O-N 3.41Å; N38-A42 WeakPolarHBondContact O-CB 3.34Å; N38-A42 PolarHBondContact O-N 3.38Å |
| 39 | G | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S35 I36 H37 I41 A42 V43 | S35-G39 PolarHBondContact O-N 2.92Å; I36-G39 PolarHBondContact O-N 2.99Å; H37-G39 PolarHBondContact O-N 3.03Å; G39-I41 PolarHBondContact O-N 2.7Å; G39-A42 WeakPolarHBondContact O-CB 3.37Å; G39-A42 PolarHBondContact O-N 3.47Å; G39-V43 WeakPolarHBondContact O-CG2 3.48Å; G39-V43 PolarHBondContact O-N 3.16Å; G39-V43 VanDerWaalsContact O-N 3.09Å |
| 40 | V | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 177.4 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | I36 H37 N38 A42 V43 F44 L81 L120 I123 F124 | I36-V40 HydrophobicContact CG2-CG2 4.46Å; I36-V40 WeakPolarHBondContact O-CB 3.4Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.34Å; I36-V40 PolarHBondContact O-N 3.47Å; H37-V40 PolarHBondContact O-N 3Å; N38-V40 PolarHBondContact O-N 2.9Å; V40-A42 VanDerWaalsContact C-N 3.32Å; V40-A42 PolarHBondContact O-N 3.48Å; V40-V43 WeakPolarHBondContact O-CB 3.42Å; V40-V43 PolarHBondContact O-N 3.48Å; V40-F44 HydrophobicContact CG1-CD2 3.99Å; V40-F44 HydrophobicContact CG1-CE2 3.93Å; V40-F44 WeakPolarHBondContact O-CD2 3.3Å; V40-F44 PolarHBondContact O-N 2.97Å; V40-F44 VanDerWaalsContact O-N 3.15Å; V40-L81 HydrophobicContact CB-CD2 4.39Å; V40-L81 HydrophobicContact CG1-CB 4.13Å; V40-L81 HydrophobicContact CG1-CD2 4.4Å; V40-L81 HydrophobicContact CG2-CD1 4.19Å; V40-L120 HydrophobicContact CG1-CD2 3.76Å; V40-L120 HydrophobicContact CG2-CD2 4.27Å; V40-I123 HydrophobicContact CG2-CD1 4.08Å; V40-I123 HydrophobicContact CG2-CG2 4.4Å; V40-F124 HydrophobicContact CG2-CE2 3.92Å; V40-F124 HydrophobicContact CG2-CZ 3.69Å |
| 41 | I | 96.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.4 | -64.5 | -55.5 | 0 | 0 | 0 | 111.4 | H37 N38 G39 V43 F44 Q45 K84 I88 | H37-I41 VanDerWaalsContact O-CG1 3.28Å; H37-I41 WeakPolarHBondContact O-CG1 3.34Å; H37-I41 PolarHBondContact O-N 3.13Å; N38-I41 PolarHBondContact O-N 3.41Å; G39-I41 PolarHBondContact O-N 2.7Å; I41-V43 VanDerWaalsContact C-N 3.3Å; I41-V43 PolarHBondContact O-N 3.34Å; I41-F44 PolarHBondContact O-N 3.04Å; I41-Q45 HydrophobicContact CG2-CG 4.26Å; I41-Q45 WeakPolarHBondContact O-CB 3.4Å; I41-Q45 VanDerWaalsContact O-CG 3.27Å; I41-Q45 WeakPolarHBondContact O-CG 3.12Å; I41-Q45 PolarHBondContact O-N 3.37Å; I41-K84 HydrophobicContact CD1-CB 4.03Å; I41-K84 HydrophobicContact CD1-CD 3.77Å; I41-K84 HydrophobicContact CD1-CG 3.77Å; I41-K84 HydrophobicContact CG1-CD 4.33Å; I41-I88 HydrophobicContact CD1-CD1 4.17Å; I41-I88 HydrophobicContact CG2-CD1 3.88Å |
| 42 | A | 96.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N38 G39 V40 Q45 R46 K47 | N38-A42 WeakPolarHBondContact O-CB 3.34Å; N38-A42 PolarHBondContact O-N 3.38Å; G39-A42 WeakPolarHBondContact O-CB 3.37Å; G39-A42 PolarHBondContact O-N 3.47Å; V40-A42 VanDerWaalsContact C-N 3.32Å; V40-A42 PolarHBondContact O-N 3.48Å; A42-Q45 PolarHBondContact O-N 3.04Å; A42-Q45 VanDerWaalsContact O-N 3.17Å; A42-R46 PolarHBondContact O-N 3.47Å; A42-K47 HydrophobicContact CB-CB 4.26Å; A42-K47 PolarHBondContact O-N 2.78Å |
| 43 | V | 97.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59 | -51.6 | 173.2 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | G39 V40 I41 Q45 R46 L49 F111 V116 M119 I123 | G39-V43 WeakPolarHBondContact O-CG2 3.48Å; G39-V43 PolarHBondContact O-N 3.16Å; G39-V43 VanDerWaalsContact O-N 3.09Å; V40-V43 WeakPolarHBondContact O-CB 3.42Å; V40-V43 PolarHBondContact O-N 3.48Å; I41-V43 VanDerWaalsContact C-N 3.3Å; I41-V43 PolarHBondContact O-N 3.34Å; V43-Q45 PolarHBondContact O-N 3.13Å; V43-R46 PolarHBondContact O-N 3.13Å; V43-R46 VanDerWaalsContact O-N 3.1Å; V43-L49 HydrophobicContact CG2-CD1 4.27Å; V43-L49 HydrophobicContact CG2-CD2 4.06Å; V43-L49 HydrophobicContact CG2-CG 3.96Å; V43-F111 WeakPolarHBondContact O-CZ 3.33Å; V43-V116 HydrophobicContact CG1-CB 4.22Å; V43-V116 HydrophobicContact CG1-CG1 4.06Å; V43-V116 HydrophobicContact CG1-CG2 4.21Å; V43-M119 HydrophobicContact CB-CG 4.44Å; V43-M119 HydrophobicContact CG1-CB 3.87Å; V43-M119 HydrophobicContact CG1-CG 3.98Å; V43-M119 HydrophobicContact CG2-CB 4.35Å; V43-M119 HydrophobicContact CG2-CG 3.54Å; V43-I123 HydrophobicContact CG2-CD1 4.22Å |
| 44 | F | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -26.1 | 176.9 | -83 | -81.1 | 0 | 0 | 0 | 113.6 | V40 I41 R46 L82 G85 M86 L89 F112 V116 L120 | V40-F44 HydrophobicContact CG1-CD2 3.99Å; V40-F44 HydrophobicContact CG1-CE2 3.93Å; V40-F44 WeakPolarHBondContact O-CD2 3.3Å; V40-F44 PolarHBondContact O-N 2.97Å; V40-F44 VanDerWaalsContact O-N 3.15Å; I41-F44 PolarHBondContact O-N 3.04Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 2.77Å; F44-L82 HydrophobicContact CZ-CD2 4.25Å; F44-G85 VanDerWaalsContact CD1-CA 3.49Å; F44-G85 WeakPolarHBondContact CD1-O 3.47Å; F44-G85 VanDerWaalsContact CE1-C 3.46Å; F44-M86 HydrophobicContact CE1-CE 4.37Å; F44-M86 HydrophobicContact CE1-SD 4.16Å; F44-M86 HydrophobicContact CZ-CE 4.44Å; F44-L89 HydrophobicContact CD1-CD1 3.77Å; F44-L89 HydrophobicContact CD1-CD2 4.4Å; F44-L89 HydrophobicContact CD1-CG 3.87Å; F44-L89 HydrophobicContact CE1-CD1 3.88Å; F44-L89 HydrophobicContact CE1-CG 4.4Å; F44-F112 HydrophobicContact CE1-CD2 4.42Å; F44-F112 HydrophobicContact CE1-CE2 4.48Å; F44-V116 HydrophobicContact CD1-CG1 3.89Å; F44-V116 HydrophobicContact CD2-CG1 4.26Å; F44-V116 HydrophobicContact CE1-CG1 3.65Å; F44-V116 HydrophobicContact CE2-CG1 4.02Å; F44-V116 HydrophobicContact CG-CG1 4.2Å; F44-V116 HydrophobicContact CZ-CG1 3.71Å; F44-L120 HydrophobicContact CE2-CD1 4.06Å; F44-L120 HydrophobicContact CE2-CD2 4.12Å; F44-L120 HydrophobicContact CZ-CD1 3.94Å |
| 45 | Q | 96.6 | Very high | 94 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1.1 | 178.2 | -72.5 | 178.4 | -4.1 | 0 | 0 | 114.4 | I41 A42 V43 K47 I88 | I41-Q45 HydrophobicContact CG2-CG 4.26Å; I41-Q45 WeakPolarHBondContact O-CB 3.4Å; I41-Q45 VanDerWaalsContact O-CG 3.27Å; I41-Q45 WeakPolarHBondContact O-CG 3.12Å; I41-Q45 PolarHBondContact O-N 3.37Å; A42-Q45 PolarHBondContact O-N 3.04Å; A42-Q45 VanDerWaalsContact O-N 3.17Å; V43-Q45 PolarHBondContact O-N 3.13Å; Q45-K47 HydrophobicContact CB-CD 4.15Å; Q45-K47 HydrophobicContact CB-CG 4.04Å; Q45-K47 PolarHBondContact O-N 3.1Å; Q45-I88 HydrophobicContact CG-CD1 4.33Å; Q45-I88 HydrophobicContact CG-CG2 4.3Å |
| 46 | R | 95.1 | Very high | 94 | Very high | 137 Ų | 137 | 65.4 Ų | 65.4 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 21.3 | -172.1 | -66.3 | 179 | -177.5 | -106.7 | 14.1 | 114 | A42 V43 F44 G48 E107 F111 | A42-R46 PolarHBondContact O-N 3.47Å; V43-R46 PolarHBondContact O-N 3.13Å; V43-R46 VanDerWaalsContact O-N 3.1Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 2.77Å; R46-G48 VanDerWaalsContact C-N 3.32Å; R46-E107 PolarHBondContact NH2-O 2.76Å; R46-F111 HydrophobicContact CB-CE2 4.35Å; R46-F111 HydrophobicContact CB-CZ 4.11Å; R46-F111 HydrophobicContact CG-CD1 4.11Å; R46-F111 HydrophobicContact CG-CD2 3.93Å; R46-F111 HydrophobicContact CG-CE1 3.52Å; R46-F111 HydrophobicContact CG-CE2 3.38Å; R46-F111 HydrophobicContact CG-CG 4.29Å; R46-F111 HydrophobicContact CG-CZ 3.13Å; R46-F111 VanDerWaalsContact NH1-CD2 3.33Å |
| 47 | K | 92.9 | Very high | 94.1 | Very high | 154 Ų | 154 | 65.4 Ų | 65.4 | 67% | 0.67 | 33% | 0.328 | S | S | * | . | trans | -81.3 | -14.4 | 179.6 | -69 | 178.5 | 175.2 | 170.3 | 0 | 113.2 | A42 Q45 | A42-K47 HydrophobicContact CB-CB 4.26Å; A42-K47 PolarHBondContact O-N 2.78Å; Q45-K47 HydrophobicContact CB-CD 4.15Å; Q45-K47 HydrophobicContact CB-CG 4.04Å; Q45-K47 PolarHBondContact O-N 3.1Å | ||
| 48 | G | 85.3 | Confident | 94.1 | Very high | 44 Ų | 44 | 65.1 Ų | 65.1 | 45% | 0.454 | 33% | 0.328 | S | S | . | . | trans | 70.3 | 179.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R46 | R46-G48 VanDerWaalsContact C-N 3.32Š| ||
| 49 | L | 91.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | trans | -113.7 | 136.5 | 169 | -64.8 | 178.1 | 0 | 0 | 0 | 108.4 | V43 E53 L54 L57 M119 I123 | V43-L49 HydrophobicContact CG2-CD1 4.27Å; V43-L49 HydrophobicContact CG2-CD2 4.06Å; V43-L49 HydrophobicContact CG2-CG 3.96Å; L49-E53 HydrophobicContact CB-CB 4.5Å; L49-E53 HydrophobicContact CD2-CG 4.4Å; L49-L54 HydrophobicContact CD1-CB 4.38Å; L49-L54 HydrophobicContact CD1-CD1 4.35Å; L49-L57 HydrophobicContact CD1-CD1 3.94Å; L49-L57 HydrophobicContact CD2-CD1 4.17Å; L49-M119 HydrophobicContact CD1-CG 4.17Å; L49-M119 HydrophobicContact CD1-SD 3.83Å; L49-I123 HydrophobicContact CD1-CD1 4.15Å; L49-I123 HydrophobicContact CD1-CG1 4.31Å | ||
| 50 | P | 90.2 | Very high | 94 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 53% | 0.532 | 32% | 0.318 | S | S | . | . | trans | -66.2 | 163.9 | 172 | 29.1 | -33.1 | 0 | 0 | 0 | 111.4 | H52 E53 | P50-H52 PolarHBondContact O-N 2.87Å; P50-E53 WeakPolarHBondContact CD-OE2 3.27Å; P50-E53 HydrophobicContact CG-CB 3.86Å; P50-E53 WeakPolarHBondContact CG-OE2 3.41Å; P50-E53 WeakPolarHBondContact O-CB 3.46Å; P50-E53 PolarHBondContact O-N 3.43Å; P50-E53 VanDerWaalsContact O-N 3.16Å | ||
| 51 | D | 87.1 | Confident | 93.9 | Very high | 149 Ų | 149 | 63.3 Ų | 63.3 | 80% | 0.797 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 139.7 | -179.5 | -63.8 | -35.4 | 0 | 0 | 0 | 111.2 | E53 | D51-E53 PolarHBondContact O-N 3.08Š|
| 52 | H | 88.4 | Confident | 93.7 | Very high | 155 Ų | 155 | 67.8 Ų | 67.8 | 72% | 0.718 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | -8.2 | -177.3 | -47.9 | -72.8 | 0 | 0 | 0 | 116.8 | P50 L54 Y55 N56 | P50-H52 PolarHBondContact O-N 2.87Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 3.25Å; H52-Y55 PolarHBondContact O-N 3.06Å; H52-N56 PolarHBondContact O-N 3.12Å; H52-N56 PolarHBondContact O-ND2 3.09Å |
| 53 | E | 94.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 71.1 Ų | 71.1 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 178.9 | -178.1 | 168.5 | 158.9 | 0 | 0 | 111.7 | L49 P50 D51 Y55 N56 L57 | L49-E53 HydrophobicContact CB-CB 4.5Å; L49-E53 HydrophobicContact CD2-CG 4.4Å; P50-E53 WeakPolarHBondContact CD-OE2 3.27Å; P50-E53 HydrophobicContact CG-CB 3.86Å; P50-E53 WeakPolarHBondContact CG-OE2 3.41Å; P50-E53 WeakPolarHBondContact O-CB 3.46Å; P50-E53 PolarHBondContact O-N 3.43Å; P50-E53 VanDerWaalsContact O-N 3.16Å; D51-E53 PolarHBondContact O-N 3.08Å; E53-Y55 PolarHBondContact O-N 3.25Å; E53-N56 WeakPolarHBondContact O-CB 3.28Å; E53-N56 PolarHBondContact O-N 3.41Å; E53-L57 HydrophobicContact CG-CD1 4.02Å; E53-L57 HydrophobicContact CG-CG 3.95Å; E53-L57 VanDerWaalsContact O-CG 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.44Å; E53-L57 PolarHBondContact O-N 3.19Å |
| 54 | L | 95.6 | Very high | 93.1 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 32% | 0.319 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.5 | -37.5 | 176.9 | -179.4 | 62.3 | 0 | 0 | 0 | 112.7 | L49 H52 N58 M119 A122 I123 | L49-L54 HydrophobicContact CD1-CB 4.38Å; L49-L54 HydrophobicContact CD1-CD1 4.35Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 3.25Å; L54-N58 WeakPolarHBondContact O-CB 3.39Å; L54-N58 PolarHBondContact O-N 2.95Å; L54-N58 PolarHBondContact O-ND2 3.22Å; L54-M119 HydrophobicContact CD1-SD 4.19Å; L54-A122 HydrophobicContact CD1-CB 4.01Å; L54-A122 HydrophobicContact CD2-CB 4.16Å; L54-I123 HydrophobicContact CD1-CB 4.42Å; L54-I123 HydrophobicContact CD1-CG1 3.66Å |
| 55 | Y | 94.9 | Very high | 92.8 | Very high | 161 Ų | 161 | 73 Ų | 73 | 63% | 0.631 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.1 | -46.4 | 176 | 174.4 | -96.5 | 0 | 0 | 0 | 111.1 | H52 E53 L57 N58 E59 | H52-Y55 PolarHBondContact O-N 3.06Å; E53-Y55 PolarHBondContact O-N 3.25Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-L57 PolarHBondContact O-N 3.17Å; Y55-N58 WeakPolarHBondContact O-CB 3.32Å; Y55-N58 PolarHBondContact O-N 3.1Å; Y55-E59 PolarHBondContact O-N 3.32Å |
| 56 | N | 94.8 | Very high | 92.5 | Very high | 96 Ų | 96 | 77.9 Ų | 77.9 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178.1 | -65.6 | -25.9 | 0 | 0 | 0 | 111.8 | H52 E53 E59 G60 | H52-N56 PolarHBondContact O-N 3.12Å; H52-N56 PolarHBondContact O-ND2 3.09Å; E53-N56 WeakPolarHBondContact O-CB 3.28Å; E53-N56 PolarHBondContact O-N 3.41Å; N56-E59 PolarHBondContact O-N 3.36Å; N56-G60 PolarHBondContact O-N 3.49Å |
| 57 | L | 96.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 175.2 | -67.9 | -177.5 | 0 | 0 | 0 | 111.6 | I36 L49 E53 Y55 E59 G60 V61 I123 | I36-L57 HydrophobicContact CG1-CD2 4.09Å; L49-L57 HydrophobicContact CD1-CD1 3.94Å; L49-L57 HydrophobicContact CD2-CD1 4.17Å; E53-L57 HydrophobicContact CG-CD1 4.02Å; E53-L57 HydrophobicContact CG-CG 3.95Å; E53-L57 VanDerWaalsContact O-CG 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.44Å; E53-L57 PolarHBondContact O-N 3.19Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-L57 PolarHBondContact O-N 3.17Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.26Å; L57-G60 PolarHBondContact O-N 3.35Å; L57-V61 VanDerWaalsContact O-CG2 3.32Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 3.32Å; L57-I123 HydrophobicContact CB-CG2 4.25Å; L57-I123 HydrophobicContact CD1-CD1 4.1Å; L57-I123 HydrophobicContact CD1-CG1 4.05Å; L57-I123 HydrophobicContact CD1-CG2 4.49Å |
| 58 | N | 96 | Very high | 91.9 | Very high | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 175.5 | -95.4 | -80.1 | 0 | 0 | 0 | 111.8 | L54 Y55 V61 R62 A122 P126 | L54-N58 WeakPolarHBondContact O-CB 3.39Å; L54-N58 PolarHBondContact O-N 2.95Å; L54-N58 PolarHBondContact O-ND2 3.22Å; Y55-N58 WeakPolarHBondContact O-CB 3.32Å; Y55-N58 PolarHBondContact O-N 3.1Å; N58-V61 PolarHBondContact O-N 3.09Å; N58-R62 WeakPolarHBondContact O-CG 2.9Å; N58-R62 PolarHBondContact O-N 3.19Å; N58-A122 PolarHBondContact ND2-O 3.5Å; N58-A122 PolarHBondContact OD1-O 3.15Å; N58-P126 VanDerWaalsContact OD1-CD 3.27Å; N58-P126 WeakPolarHBondContact OD1-CD 3.24Å |
| 59 | E | 94.7 | Very high | 91.6 | Very high | 58 Ų | 58 | 76.2 Ų | 76.2 | 27% | 0.271 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 179.3 | -171.5 | 53.4 | -145.9 | 0 | 0 | 111.5 | Y55 N56 L57 V61 R62 Q63 | Y55-E59 PolarHBondContact O-N 3.32Å; N56-E59 PolarHBondContact O-N 3.36Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.26Å; E59-V61 VanDerWaalsContact C-N 3.31Å; E59-V61 PolarHBondContact O-N 3.37Å; E59-R62 WeakPolarHBondContact O-CB 3.31Å; E59-R62 PolarHBondContact O-N 3.2Å; E59-R62 VanDerWaalsContact O-N 3.14Å; E59-R62 WeakPolarHBondContact OE2-CD 3.31Å; E59-Q63 VanDerWaalsContact O-CG 3.32Å; E59-Q63 WeakPolarHBondContact O-CG 3.48Å; E59-Q63 PolarHBondContact O-N 3.24Å; E59-Q63 PolarHBondContact OE1-NE2 3.33Å |
| 60 | G | 93.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 74.6 Ų | 74.6 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T32 N56 L57 Q63 L64 | T32-G60 VanDerWaalsContact CG2-CA 3.43Å; N56-G60 PolarHBondContact O-N 3.49Å; L57-G60 PolarHBondContact O-N 3.35Å; G60-Q63 PolarHBondContact O-N 2.64Å; G60-L64 WeakPolarHBondContact O-CB 3.23Å; G60-L64 WeakPolarHBondContact O-CG 3.28Å; G60-L64 PolarHBondContact O-N 2.83Å |
| 61 | V | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | I36 L57 N58 E59 Q63 L64 L65 F73 F124 P126 V127 | I36-V61 HydrophobicContact CD1-CG2 3.72Å; I36-V61 HydrophobicContact CG1-CG2 4.18Å; I36-V61 HydrophobicContact CG2-CG2 4.45Å; L57-V61 VanDerWaalsContact O-CG2 3.32Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 3.32Å; N58-V61 PolarHBondContact O-N 3.09Å; E59-V61 VanDerWaalsContact C-N 3.31Å; E59-V61 PolarHBondContact O-N 3.37Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 2.82Å; V61-L64 PolarHBondContact O-N 3.24Å; V61-L65 HydrophobicContact CG1-CD1 3.99Å; V61-L65 HydrophobicContact CG1-CG 4.29Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.1Å; V61-F73 HydrophobicContact CG1-CE2 4.17Å; V61-F73 HydrophobicContact CG1-CZ 3.89Å; V61-F73 HydrophobicContact CG2-CZ 4.29Å; V61-F124 HydrophobicContact CG1-CD1 4.35Å; V61-F124 HydrophobicContact CG2-CD1 3.92Å; V61-F124 HydrophobicContact CG2-CE1 3.95Å; V61-P126 HydrophobicContact CB-CG 4.31Å; V61-P126 HydrophobicContact CG1-CB 4.1Å; V61-P126 HydrophobicContact CG1-CG 4.11Å; V61-V127 HydrophobicContact CG1-CG2 3.75Å |
| 62 | R | 93.7 | Very high | 91.1 | Very high | 107 Ų | 107 | 73.6 Ų | 73.6 | 40% | 0.404 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 175.7 | -74.2 | 175.9 | -163.9 | -92.9 | 1.5 | 112 | N58 E59 K66 P126 | N58-R62 WeakPolarHBondContact O-CG 2.9Å; N58-R62 PolarHBondContact O-N 3.19Å; E59-R62 WeakPolarHBondContact O-CB 3.31Å; E59-R62 PolarHBondContact O-N 3.2Å; E59-R62 VanDerWaalsContact O-N 3.14Å; E59-R62 WeakPolarHBondContact OE2-CD 3.31Å; R62-K66 WeakPolarHBondContact O-CG 2.93Å; R62-K66 PolarHBondContact O-N 2.87Å; R62-P126 HydrophobicContact CG-CB 3.56Å; R62-P126 HydrophobicContact CG-CG 3.64Å |
| 63 | Q | 91.6 | Very high | 91 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 178.9 | -71.3 | 176.7 | 14.9 | 0 | 0 | 111 | E59 G60 V61 L65 K66 | E59-Q63 VanDerWaalsContact O-CG 3.32Å; E59-Q63 WeakPolarHBondContact O-CG 3.48Å; E59-Q63 PolarHBondContact O-N 3.24Å; E59-Q63 PolarHBondContact OE1-NE2 3.33Å; G60-Q63 PolarHBondContact O-N 2.64Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 2.82Å; Q63-L65 PolarHBondContact O-N 3.27Å; Q63-K66 WeakPolarHBondContact O-CB 3.41Å; Q63-K66 PolarHBondContact O-N 2.87Å; Q63-K66 VanDerWaalsContact O-N 3.15Å |
| 64 | L | 90.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.4 | -81.4 | 168.5 | 0 | 0 | 0 | 113.1 | T32 W33 I36 G60 V61 K66 T67 L69 G70 | T32-L64 HydrophobicContact CG2-CD1 3.96Å; T32-L64 HydrophobicContact CG2-CG 4.15Å; W33-L64 HydrophobicContact CD2-CD1 3.56Å; W33-L64 HydrophobicContact CD2-CD2 3.98Å; W33-L64 HydrophobicContact CD2-CG 4.42Å; W33-L64 HydrophobicContact CE3-CD1 3.74Å; W33-L64 HydrophobicContact CG-CD1 4.08Å; W33-L64 HydrophobicContact CG-CD2 4.2Å; W33-L64 HydrophobicContact CH2-CD1 4.15Å; W33-L64 HydrophobicContact CZ2-CB 4.48Å; W33-L64 HydrophobicContact CZ2-CD1 3.97Å; W33-L64 HydrophobicContact CZ2-CD2 3.7Å; W33-L64 HydrophobicContact CZ2-CG 4.27Å; W33-L64 HydrophobicContact CZ3-CD1 4Å; I36-L64 HydrophobicContact CD1-CD1 3.39Å; G60-L64 WeakPolarHBondContact O-CB 3.23Å; G60-L64 WeakPolarHBondContact O-CG 3.28Å; G60-L64 PolarHBondContact O-N 2.83Å; V61-L64 PolarHBondContact O-N 3.24Å; L64-K66 PolarHBondContact O-N 3.23Å; L64-T67 PolarHBondContact O-N 3.41Å; L64-T67 PolarHBondContact O-OG1 3.33Å; L64-L69 HydrophobicContact CD2-CD1 4.37Å; L64-G70 PolarHBondContact O-N 3.42Å |
| 65 | L | 90.6 | Very high | 90.4 | Very high | 46 Ų | 46 | 67.7 Ų | 67.7 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -25.7 | 177.5 | -72.3 | 174 | 0 | 0 | 0 | 113.3 | V61 Q63 T67 F73 P126 V127 | V61-L65 HydrophobicContact CG1-CD1 3.99Å; V61-L65 HydrophobicContact CG1-CG 4.29Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.1Å; Q63-L65 PolarHBondContact O-N 3.27Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-F73 HydrophobicContact CD2-CB 4.06Å; L65-F73 HydrophobicContact CD2-CD1 4.38Å; L65-F73 HydrophobicContact CD2-CD2 4.23Å; L65-F73 HydrophobicContact CD2-CG 3.95Å; L65-P126 HydrophobicContact CD1-CB 4.1Å; L65-P126 WeakPolarHBondContact CD1-O 3.47Å; L65-V127 HydrophobicContact CD1-CG2 4.01Å |
| 66 | K | 90.3 | Very high | 90.2 | Very high | 171 Ų | 171 | 62.4 Ų | 62.4 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14.9 | 175.4 | -67.5 | 169.4 | -177.2 | 174.6 | 0 | 113.2 | R62 Q63 L64 | R62-K66 WeakPolarHBondContact O-CG 2.93Å; R62-K66 PolarHBondContact O-N 2.87Å; Q63-K66 WeakPolarHBondContact O-CB 3.41Å; Q63-K66 PolarHBondContact O-N 2.87Å; Q63-K66 VanDerWaalsContact O-N 3.15Å; L64-K66 PolarHBondContact O-N 3.23Å |
| 67 | T | 89 | Confident | 90.1 | Very high | 52 Ų | 52 | 58 Ų | 58 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -87.8 | 169.7 | 177.1 | 72.6 | 0 | 0 | 0 | 0 | 111.3 | L64 L65 L69 G70 | L64-T67 PolarHBondContact O-N 3.41Å; L64-T67 PolarHBondContact O-OG1 3.33Å; L65-T67 VanDerWaalsContact C-N 3.33Å; T67-L69 PolarHBondContact O-N 3.35Å; T67-L69 WeakPolarHBondContact OG1-CB 3.44Å; T67-L69 PolarHBondContact OG1-N 2.94Å; T67-G70 PolarHBondContact O-N 3.4Å |
| 68 | E | 85.7 | Confident | 89.9 | Confident | 180 Ų | 180 | 60.6 Ų | 60.6 | 84% | 0.841 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -56.6 | -22.6 | 172.9 | -62.4 | 178.7 | -179.5 | 0 | 0 | 113 | G70 S71 | E68-G70 VanDerWaalsContact C-N 3.26Å; E68-G70 PolarHBondContact O-N 2.83Å; E68-S71 PolarHBondContact O-OG 3.27Å |
| 69 | L | 80.7 | Confident | 89.8 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -75 | -13.1 | 177.9 | -55.4 | 174.1 | 0 | 0 | 0 | 113.2 | W33 L64 T67 S71 F72 F73 | W33-L69 HydrophobicContact CZ2-CB 3.92Å; W33-L69 HydrophobicContact CZ2-CD1 4.38Å; L64-L69 HydrophobicContact CD2-CD1 4.37Å; T67-L69 PolarHBondContact O-N 3.35Å; T67-L69 WeakPolarHBondContact OG1-CB 3.44Å; T67-L69 PolarHBondContact OG1-N 2.94Å; L69-S71 PolarHBondContact O-N 3.04Å; L69-F72 PolarHBondContact O-N 2.65Å; L69-F73 PolarHBondContact O-N 3.23Å |
| 70 | G | 84.9 | Confident | 89.6 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -63.6 | -22.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L64 T67 E68 F73 K130 | L64-G70 PolarHBondContact O-N 3.42Å; T67-G70 PolarHBondContact O-N 3.4Å; E68-G70 VanDerWaalsContact C-N 3.26Å; E68-G70 PolarHBondContact O-N 2.83Å; G70-F73 WeakPolarHBondContact O-CB 3.35Å; G70-K130 PolarHBondContact O-NZ 3.01Å |
| 71 | S | 84.9 | Confident | 89.7 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -40 | 176 | 59.7 | 0 | 0 | 0 | 0 | 112 | E68 L69 F73 | E68-S71 PolarHBondContact O-OG 3.27Å; L69-S71 PolarHBondContact O-N 3.04Å; S71-F73 VanDerWaalsContact C-N 3.3Å; S71-F73 PolarHBondContact O-N 3.49Å |
| 72 | F | 87.3 | Confident | 89.9 | Confident | 127 Ų | 127 | 65.2 Ų | 65.2 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -4.5 | 179.4 | -58.7 | -76.7 | 0 | 0 | 0 | 113.7 | L69 T74 E75 Y76 | L69-F72 PolarHBondContact O-N 2.65Å; F72-T74 VanDerWaalsContact C-N 3.28Å; F72-T74 PolarHBondContact O-N 3.48Å; F72-E75 WeakPolarHBondContact O-CB 3.42Å; F72-E75 PolarHBondContact O-N 3.19Å; F72-Y76 PolarHBondContact O-N 3.25Å |
| 73 | F | 86.7 | Confident | 90 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.8 | -41 | -173.2 | -169.8 | -86.2 | 0 | 0 | 0 | 113.6 | W33 V61 L65 L69 G70 S71 E75 Y76 L77 F124 V127 | W33-F73 AromaticContact CH2-CD2 3.59Å; W33-F73 HydrophobicContact CH2-CD2 3.59Å; W33-F73 HydrophobicContact CH2-CE2 4.03Å; W33-F73 HydrophobicContact CZ3-CD2 4.01Å; W33-F73 AromaticContact CZ3-CE2 3.99Å; W33-F73 HydrophobicContact CZ3-CE2 3.99Å; V61-F73 HydrophobicContact CG1-CE2 4.17Å; V61-F73 HydrophobicContact CG1-CZ 3.89Å; V61-F73 HydrophobicContact CG2-CZ 4.29Å; L65-F73 HydrophobicContact CD2-CB 4.06Å; L65-F73 HydrophobicContact CD2-CD1 4.38Å; L65-F73 HydrophobicContact CD2-CD2 4.23Å; L65-F73 HydrophobicContact CD2-CG 3.95Å; L69-F73 PolarHBondContact O-N 3.23Å; G70-F73 WeakPolarHBondContact O-CB 3.35Å; S71-F73 VanDerWaalsContact C-N 3.3Å; S71-F73 PolarHBondContact O-N 3.49Å; F73-E75 VanDerWaalsContact C-N 3.33Å; F73-E75 PolarHBondContact O-N 3.42Å; F73-Y76 PolarHBondContact O-N 2.84Å; F73-L77 WeakPolarHBondContact O-CB 3.34Å; F73-L77 PolarHBondContact O-N 2.82Å; F73-F124 AromaticContact CE1-CD1 3.8Å; F73-F124 HydrophobicContact CE1-CD1 3.8Å; F73-F124 HydrophobicContact CE1-CE1 4.06Å; F73-F124 HydrophobicContact CE2-CE1 4.47Å; F73-F124 AromaticContact CZ-CD1 3.47Å; F73-F124 HydrophobicContact CZ-CD1 3.47Å; F73-F124 VanDerWaalsContact CZ-CD1 3.47Å; F73-F124 AromaticContact CZ-CE1 3.45Å; F73-F124 HydrophobicContact CZ-CE1 3.45Å; F73-F124 VanDerWaalsContact CZ-CE1 3.45Å; F73-V127 HydrophobicContact CD1-CG1 4.07Å; F73-V127 HydrophobicContact CD1-CG2 4.01Å; F73-V127 HydrophobicContact CE1-CG1 4.21Å; F73-V127 HydrophobicContact CE1-CG2 3.46Å; F73-V127 VanDerWaalsContact CE1-CG2 3.46Å; F73-V127 HydrophobicContact CZ-CG2 4Å |
| 74 | T | 87.8 | Confident | 90.3 | Very high | 33 Ų | 33 | 63 Ų | 63 | 20% | 0.202 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | F72 Q78 L137 | F72-T74 VanDerWaalsContact C-N 3.28Å; F72-T74 PolarHBondContact O-N 3.48Å; T74-Q78 VanDerWaalsContact CG2-NE2 3.33Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 3.23Å; T74-Q78 PolarHBondContact O-NE2 2.99Å; T74-L137 HydrophobicContact CG2-CD1 4.19Å |
| 75 | E | 90.6 | Very high | 90.7 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 175.7 | -174.4 | -176.5 | 166.1 | 0 | 0 | 110.7 | F72 F73 L77 Q78 N79 | F72-E75 WeakPolarHBondContact O-CB 3.42Å; F72-E75 PolarHBondContact O-N 3.19Å; F73-E75 VanDerWaalsContact C-N 3.33Å; F73-E75 PolarHBondContact O-N 3.42Å; E75-L77 PolarHBondContact O-N 3.37Å; E75-Q78 PolarHBondContact O-N 2.95Å; E75-N79 WeakPolarHBondContact CG-ND2 3.44Å; E75-N79 WeakPolarHBondContact O-CB 3.34Å; E75-N79 PolarHBondContact O-N 3.39Å |
| 76 | Y | 90.4 | Very high | 91 | Very high | 51 Ų | 51 | 60.7 Ų | 60.7 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 175.9 | 177.9 | -96.6 | 0 | 0 | 0 | 112.3 | W33 F72 F73 Q78 Q80 L81 | W33-Y76 AromaticContact CE3-CD1 3.94Å; W33-Y76 HydrophobicContact CE3-CD1 3.94Å; W33-Y76 AromaticContact CE3-CE1 3.51Å; W33-Y76 HydrophobicContact CE3-CE1 3.51Å; W33-Y76 HydrophobicContact CE3-CE2 4.32Å; W33-Y76 HydrophobicContact CE3-CG 4.46Å; W33-Y76 AromaticContact CE3-CZ 3.74Å; W33-Y76 HydrophobicContact CH2-CD1 4.02Å; W33-Y76 HydrophobicContact CH2-CE1 4.44Å; W33-Y76 HydrophobicContact CH2-CG 4.21Å; W33-Y76 AromaticContact CZ3-CD1 3.26Å; W33-Y76 HydrophobicContact CZ3-CD1 3.26Å; W33-Y76 HydrophobicContact CZ3-CD2 4.37Å; W33-Y76 AromaticContact CZ3-CE1 3.32Å; W33-Y76 HydrophobicContact CZ3-CE1 3.32Å; W33-Y76 HydrophobicContact CZ3-CE2 4.45Å; W33-Y76 AromaticContact CZ3-CG 3.8Å; W33-Y76 HydrophobicContact CZ3-CG 3.8Å; W33-Y76 AromaticContact CZ3-CZ 3.96Å; F72-Y76 PolarHBondContact O-N 3.25Å; F73-Y76 PolarHBondContact O-N 2.84Å; Y76-Q78 VanDerWaalsContact C-N 3.27Å; Y76-Q78 PolarHBondContact O-N 3.45Å; Y76-Q80 HydrophobicContact CD2-CB 3.84Å; Y76-Q80 HydrophobicContact CD2-CG 3.64Å; Y76-Q80 HydrophobicContact CE2-CB 3.72Å; Y76-Q80 HydrophobicContact CE2-CG 3.77Å; Y76-Q80 HydrophobicContact CG-CB 4.42Å; Y76-Q80 HydrophobicContact CG-CG 4.49Å; Y76-Q80 VanDerWaalsContact O-CB 3.32Å; Y76-Q80 WeakPolarHBondContact O-CB 3.44Å; Y76-Q80 PolarHBondContact O-N 3.29Å; Y76-L81 HydrophobicContact CD1-CD1 4.02Å; Y76-L81 HydrophobicContact CD1-CG 4.02Å; Y76-L81 HydrophobicContact CE1-CD1 3.6Å; Y76-L81 HydrophobicContact CE1-CD2 3.8Å; Y76-L81 HydrophobicContact CE1-CG 3.52Å; Y76-L81 PolarHBondContact O-N 3Å |
| 77 | L | 92.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -55.7 | -44 | 176.3 | 177.5 | 61 | 0 | 0 | 0 | 111.2 | F73 E75 L81 L82 F124 V134 L137 | F73-L77 WeakPolarHBondContact O-CB 3.34Å; F73-L77 PolarHBondContact O-N 2.82Å; E75-L77 PolarHBondContact O-N 3.37Å; L77-L81 HydrophobicContact CD1-CB 4.24Å; L77-L81 HydrophobicContact CD1-CD1 4.03Å; L77-L82 HydrophobicContact CD1-CD1 4.3Å; L77-L82 HydrophobicContact CD1-CG 4.07Å; L77-L82 HydrophobicContact CG-CD1 3.99Å; L77-L82 HydrophobicContact CG-CG 4.24Å; L77-L82 WeakPolarHBondContact O-CB 3.42Å; L77-L82 VanDerWaalsContact O-CG 3.25Å; L77-L82 WeakPolarHBondContact O-CG 3.49Å; L77-L82 PolarHBondContact O-N 3.18Å; L77-F124 HydrophobicContact CD1-CD2 3.91Å; L77-F124 HydrophobicContact CD1-CE2 3.47Å; L77-F124 VanDerWaalsContact CD1-CE2 3.47Å; L77-F124 HydrophobicContact CD1-CZ 3.86Å; L77-V134 HydrophobicContact CD2-CB 4.49Å; L77-V134 HydrophobicContact CD2-CG1 4.37Å; L77-V134 HydrophobicContact CD2-CG2 3.91Å; L77-L137 HydrophobicContact CD2-CD1 4.03Å |
| 78 | Q | 92.6 | Very high | 91.7 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -71.1 | -58.6 | 179.2 | -71.9 | 177.1 | 60.5 | 0 | 0 | 112.5 | T74 E75 Y76 T83 L137 H141 | T74-Q78 VanDerWaalsContact CG2-NE2 3.33Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 3.23Å; T74-Q78 PolarHBondContact O-NE2 2.99Å; E75-Q78 PolarHBondContact O-N 2.95Å; Y76-Q78 VanDerWaalsContact C-N 3.27Å; Y76-Q78 PolarHBondContact O-N 3.45Å; Q78-T83 PolarHBondContact O-N 3.12Å; Q78-T83 VanDerWaalsContact O-N 3.11Å; Q78-T83 PolarHBondContact O-OG1 2.94Å; Q78-L137 HydrophobicContact CG-CD1 3.92Å; Q78-L137 HydrophobicContact CG-CD2 3.63Å; Q78-L137 HydrophobicContact CG-CG 4.25Å; Q78-H141 WeakPolarHBondContact CA-NE2 3.46Å; Q78-H141 WeakPolarHBondContact CB-NE2 3.27Å; Q78-H141 PolarHBondContact O-NE2 3.4Å |
| 79 | N | 92.8 | Very high | 92.3 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -78.7 | -27.7 | -165.8 | -66.7 | -14.7 | 0 | 0 | 0 | 112.9 | E75 T83 | E75-N79 WeakPolarHBondContact CG-ND2 3.44Å; E75-N79 WeakPolarHBondContact O-CB 3.34Å; E75-N79 PolarHBondContact O-N 3.39Å; N79-T83 WeakPolarHBondContact O-CB 3.42Å |
| 80 | Q | 92.3 | Very high | 93.1 | Very high | 103 Ų | 103 | 44.4 Ų | 44.4 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -105.8 | -60.9 | -177.7 | -60.8 | -65.5 | -20 | 0 | 0 | 111 | Y76 K84 | Y76-Q80 HydrophobicContact CD2-CB 3.84Å; Y76-Q80 HydrophobicContact CD2-CG 3.64Å; Y76-Q80 HydrophobicContact CE2-CB 3.72Å; Y76-Q80 HydrophobicContact CE2-CG 3.77Å; Y76-Q80 HydrophobicContact CG-CB 4.42Å; Y76-Q80 HydrophobicContact CG-CG 4.49Å; Y76-Q80 VanDerWaalsContact O-CB 3.32Å; Y76-Q80 WeakPolarHBondContact O-CB 3.44Å; Y76-Q80 PolarHBondContact O-N 3.29Å; Q80-K84 WeakPolarHBondContact O-CB 3.21Å; Q80-K84 PolarHBondContact O-N 3.49Å; Q80-K84 VanDerWaalsContact O-N 3.11Å |
| 81 | L | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -74.7 | -56.6 | -168.9 | -61.7 | -176 | 0 | 0 | 0 | 112.9 | I36 H37 V40 Y76 L77 G85 F124 | I36-L81 HydrophobicContact CG2-CD1 4.45Å; H37-L81 HydrophobicContact CB-CD2 4.11Å; H37-L81 VanDerWaalsContact ND1-CD2 3.32Å; H37-L81 WeakPolarHBondContact ND1-CD2 3.44Å; V40-L81 HydrophobicContact CB-CD2 4.39Å; V40-L81 HydrophobicContact CG1-CB 4.13Å; V40-L81 HydrophobicContact CG1-CD2 4.4Å; V40-L81 HydrophobicContact CG2-CD1 4.19Å; Y76-L81 HydrophobicContact CD1-CD1 4.02Å; Y76-L81 HydrophobicContact CD1-CG 4.02Å; Y76-L81 HydrophobicContact CE1-CD1 3.6Å; Y76-L81 HydrophobicContact CE1-CD2 3.8Å; Y76-L81 HydrophobicContact CE1-CG 3.52Å; Y76-L81 PolarHBondContact O-N 3Å; L77-L81 HydrophobicContact CD1-CB 4.24Å; L77-L81 HydrophobicContact CD1-CD1 4.03Å; L81-G85 PolarHBondContact O-N 3.29Å; L81-F124 HydrophobicContact CD1-CE1 4.34Å; L81-F124 HydrophobicContact CD1-CE2 4.28Å; L81-F124 HydrophobicContact CD1-CZ 3.52Å |
| 82 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -67.9 | -42.4 | -178.4 | -68.1 | 175.6 | 0 | 0 | 0 | 110.9 | F44 L77 K84 G85 M86 L120 L137 A138 H141 | F44-L82 HydrophobicContact CZ-CD2 4.25Å; L77-L82 HydrophobicContact CD1-CD1 4.3Å; L77-L82 HydrophobicContact CD1-CG 4.07Å; L77-L82 HydrophobicContact CG-CD1 3.99Å; L77-L82 HydrophobicContact CG-CG 4.24Å; L77-L82 WeakPolarHBondContact O-CB 3.42Å; L77-L82 VanDerWaalsContact O-CG 3.25Å; L77-L82 WeakPolarHBondContact O-CG 3.49Å; L77-L82 PolarHBondContact O-N 3.18Å; L82-K84 PolarHBondContact O-N 3.39Å; L82-G85 PolarHBondContact O-N 3.49Å; L82-M86 WeakPolarHBondContact O-CB 3.48Å; L82-M86 WeakPolarHBondContact O-CG 3.06Å; L82-M86 PolarHBondContact O-N 3.48Å; L82-L120 HydrophobicContact CD2-CD1 3.8Å; L82-L137 HydrophobicContact CD1-CB 3.69Å; L82-A138 HydrophobicContact CD1-CB 4.49Å; L82-A138 HydrophobicContact CD2-CB 3.94Å; L82-H141 HydrophobicContact CB-CB 4.25Å |
| 83 | T | 97.2 | Very high | 94.5 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 30% | 0.301 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.1 | -51.3 | 176.5 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | Q78 N79 V87 I145 | Q78-T83 PolarHBondContact O-N 3.12Å; Q78-T83 VanDerWaalsContact O-N 3.11Å; Q78-T83 PolarHBondContact O-OG1 2.94Å; N79-T83 WeakPolarHBondContact O-CB 3.42Å; T83-V87 VanDerWaalsContact O-CG2 3.3Å; T83-V87 WeakPolarHBondContact O-CG2 3.3Å; T83-V87 PolarHBondContact O-N 3.41Å; T83-V87 VanDerWaalsContact O-N 3.1Å; T83-I145 HydrophobicContact CG2-CD1 4.4Å |
| 84 | K | 97.3 | Very high | 94.9 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 178.9 | -171 | 173.8 | -178.3 | -179.7 | 0 | 112.2 | I41 Q80 L82 V87 I88 | I41-K84 HydrophobicContact CD1-CB 4.03Å; I41-K84 HydrophobicContact CD1-CD 3.77Å; I41-K84 HydrophobicContact CD1-CG 3.77Å; I41-K84 HydrophobicContact CG1-CD 4.33Å; Q80-K84 WeakPolarHBondContact O-CB 3.21Å; Q80-K84 PolarHBondContact O-N 3.49Å; Q80-K84 VanDerWaalsContact O-N 3.11Å; L82-K84 PolarHBondContact O-N 3.39Å; K84-V87 PolarHBondContact O-N 2.93Å; K84-I88 WeakPolarHBondContact O-CG1 3.29Å; K84-I88 PolarHBondContact O-N 2.93Å; K84-I88 VanDerWaalsContact O-N 3.11Å |
| 85 | G | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F44 L81 L82 V87 I88 L89 | F44-G85 VanDerWaalsContact CD1-CA 3.49Å; F44-G85 WeakPolarHBondContact CD1-O 3.47Å; F44-G85 VanDerWaalsContact CE1-C 3.46Å; L81-G85 PolarHBondContact O-N 3.29Å; L82-G85 PolarHBondContact O-N 3.49Å; G85-V87 PolarHBondContact O-N 3.29Å; G85-I88 WeakPolarHBondContact O-CB 3.42Å; G85-I88 PolarHBondContact O-N 2.93Å; G85-L89 PolarHBondContact O-N 3.31Å |
| 86 | M | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 177.7 | -67.7 | -56 | 173.4 | 0 | 0 | 112.6 | F44 L82 I88 L89 R90 F112 A138 H141 F142 I145 I146 | F44-M86 HydrophobicContact CE1-CE 4.37Å; F44-M86 HydrophobicContact CE1-SD 4.16Å; F44-M86 HydrophobicContact CZ-CE 4.44Å; L82-M86 WeakPolarHBondContact O-CB 3.48Å; L82-M86 WeakPolarHBondContact O-CG 3.06Å; L82-M86 PolarHBondContact O-N 3.48Å; M86-I88 VanDerWaalsContact C-N 3.31Å; M86-I88 PolarHBondContact O-N 2.95Å; M86-L89 PolarHBondContact O-N 3.34Å; M86-L89 HydrophobicContact SD-CD1 4.37Å; M86-R90 WeakPolarHBondContact O-CB 3.2Å; M86-R90 PolarHBondContact O-N 3.49Å; M86-F112 HydrophobicContact CE-CD2 4.14Å; M86-F112 HydrophobicContact CE-CE2 3.33Å; M86-F112 HydrophobicContact CE-CZ 3.65Å; M86-F112 HydrophobicContact SD-CD2 4.45Å; M86-F112 HydrophobicContact SD-CE2 4.19Å; M86-A138 WeakPolarHBondContact CE-O 3.5Å; M86-H141 HydrophobicContact CE-CB 3.99Å; M86-H141 HydrophobicContact CG-CB 3.88Å; M86-F142 HydrophobicContact CE-CB 3.89Å; M86-F142 HydrophobicContact SD-CB 4.05Å; M86-F142 HydrophobicContact SD-CD2 4.01Å; M86-F142 HydrophobicContact SD-CG 4.45Å; M86-I145 HydrophobicContact CB-CB 3.88Å; M86-I145 HydrophobicContact CB-CD1 3.81Å; M86-I145 HydrophobicContact CB-CG1 4.43Å; M86-I145 HydrophobicContact CB-CG2 3.7Å; M86-I145 HydrophobicContact CG-CD1 4.21Å; M86-I146 HydrophobicContact CB-CD1 4.39Å; M86-I146 HydrophobicContact CB-CG1 4.41Å; M86-I146 HydrophobicContact SD-CD1 3.88Å |
| 87 | V | 97.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 173.9 | 167.1 | 0 | 0 | 0 | 0 | 110.7 | T83 K84 G85 L89 R90 D91 I145 | T83-V87 VanDerWaalsContact O-CG2 3.3Å; T83-V87 WeakPolarHBondContact O-CG2 3.3Å; T83-V87 PolarHBondContact O-N 3.41Å; T83-V87 VanDerWaalsContact O-N 3.1Å; K84-V87 PolarHBondContact O-N 2.93Å; G85-V87 PolarHBondContact O-N 3.29Å; V87-L89 VanDerWaalsContact C-N 3.3Å; V87-L89 PolarHBondContact O-N 2.96Å; V87-R90 PolarHBondContact O-N 3.01Å; V87-D91 WeakPolarHBondContact O-CB 3.31Å; V87-D91 PolarHBondContact O-N 3.48Å; V87-D91 VanDerWaalsContact O-OD1 3.07Å; V87-I145 HydrophobicContact CG2-CG2 4.29Å |
| 88 | I | 96.9 | Very high | 96 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 18% | 0.179 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 175.2 | -68 | 165.4 | 0 | 0 | 0 | 111.4 | I41 Q45 K84 G85 M86 | I41-I88 HydrophobicContact CD1-CD1 4.17Å; I41-I88 HydrophobicContact CG2-CD1 3.88Å; Q45-I88 HydrophobicContact CG-CD1 4.33Å; Q45-I88 HydrophobicContact CG-CG2 4.3Å; K84-I88 WeakPolarHBondContact O-CG1 3.29Å; K84-I88 PolarHBondContact O-N 2.93Å; K84-I88 VanDerWaalsContact O-N 3.11Å; G85-I88 WeakPolarHBondContact O-CB 3.42Å; G85-I88 PolarHBondContact O-N 2.93Å; M86-I88 VanDerWaalsContact C-N 3.31Å; M86-I88 PolarHBondContact O-N 2.95Å |
| 89 | L | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.8 | -47 | 178 | -62.5 | -177.9 | 0 | 0 | 0 | 112 | F44 G85 M86 V87 D91 K92 T108 F111 F112 I146 | F44-L89 HydrophobicContact CD1-CD1 3.77Å; F44-L89 HydrophobicContact CD1-CD2 4.4Å; F44-L89 HydrophobicContact CD1-CG 3.87Å; F44-L89 HydrophobicContact CE1-CD1 3.88Å; F44-L89 HydrophobicContact CE1-CG 4.4Å; G85-L89 PolarHBondContact O-N 3.31Å; M86-L89 PolarHBondContact O-N 3.34Å; M86-L89 HydrophobicContact SD-CD1 4.37Å; V87-L89 VanDerWaalsContact C-N 3.3Å; V87-L89 PolarHBondContact O-N 2.96Å; L89-D91 VanDerWaalsContact C-N 3.29Å; L89-D91 PolarHBondContact O-N 3.12Å; L89-K92 WeakPolarHBondContact O-CB 3.28Å; L89-K92 PolarHBondContact O-N 2.79Å; L89-T108 HydrophobicContact CB-CG2 4.04Å; L89-F111 HydrophobicContact CD2-CD1 4.08Å; L89-F111 HydrophobicContact CD2-CE1 3.87Å; L89-F112 HydrophobicContact CD1-CB 4.2Å; L89-F112 HydrophobicContact CD1-CD2 4.05Å; L89-F112 HydrophobicContact CD1-CG 4.48Å; L89-I146 HydrophobicContact CB-CD1 3.71Å; L89-I146 HydrophobicContact CD1-CD1 4.28Å |
| 90 | R | 97.8 | Very high | 96.4 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 18% | 0.181 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -42.9 | 179.5 | -172.3 | -163.3 | 61.4 | -166.9 | -6.8 | 111.5 | M86 V87 K92 I93 R94 I145 I146 I150 | M86-R90 WeakPolarHBondContact O-CB 3.2Å; M86-R90 PolarHBondContact O-N 3.49Å; V87-R90 PolarHBondContact O-N 3.01Å; R90-K92 PolarHBondContact O-N 3.07Å; R90-I93 WeakPolarHBondContact O-CG1 3.45Å; R90-I93 PolarHBondContact O-N 3.31Å; R90-R94 HydrophobicContact CG-CB 4.4Å; R90-R94 WeakPolarHBondContact O-CB 3.4Å; R90-R94 PolarHBondContact O-N 2.92Å; R90-I145 WeakPolarHBondContact CD-O 3.49Å; R90-I146 HydrophobicContact CB-CG1 4.15Å; R90-I150 HydrophobicContact CG-CG2 4.24Å |
| 91 | D | 96.8 | Very high | 96.7 | Very high | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.1 | -24.9 | -174.4 | -72.9 | 10.7 | 0 | 0 | 0 | 112.2 | V87 L89 I93 R94 | V87-D91 WeakPolarHBondContact O-CB 3.31Å; V87-D91 PolarHBondContact O-N 3.48Å; V87-D91 VanDerWaalsContact O-OD1 3.07Å; L89-D91 VanDerWaalsContact C-N 3.29Å; L89-D91 PolarHBondContact O-N 3.12Å; D91-I93 VanDerWaalsContact C-N 3.32Å; D91-R94 VanDerWaalsContact CG-CZ 3.48Å; D91-R94 IonicContact OD1-CZ 3.79Å; D91-R94 IonicContact OD1-NE 3.88Å; D91-R94 IonicContact OD1-NH1 2.82Å; D91-R94 PolarHBondContact OD1-NH1 3.48Å; D91-R94 IonicContact OD2-CZ 2.7Å; D91-R94 IonicContact OD2-NH1 3.49Å; D91-R94 PolarHBondContact OD2-NH1 3.11Å; D91-R94 IonicContact OD2-NH2 3.6Å |
| 92 | K | 92.5 | Very high | 96.8 | Very high | 99 Ų | 99 | 50 Ų | 50 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.5 | -22.7 | 171.7 | -66.4 | 177.6 | 178.6 | -177.4 | 0 | 113.7 | L89 R90 Y96 | L89-K92 WeakPolarHBondContact O-CB 3.28Å; L89-K92 PolarHBondContact O-N 2.79Å; R90-K92 PolarHBondContact O-N 3.07Å; K92-Y96 WeakPolarHBondContact O-CE2 3.36Å |
| 93 | I | 95.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -119.4 | -20.1 | -171.2 | 72.5 | 174.9 | 0 | 0 | 0 | 114.9 | R90 D91 F95 Y96 L101 T104 L105 T108 I146 I150 | R90-I93 WeakPolarHBondContact O-CG1 3.45Å; R90-I93 PolarHBondContact O-N 3.31Å; D91-I93 VanDerWaalsContact C-N 3.32Å; I93-F95 PolarHBondContact O-N 3.47Å; I93-Y96 HydrophobicContact CB-CD2 4.44Å; I93-Y96 PolarHBondContact O-N 3.44Å; I93-L101 WeakPolarHBondContact O-CD1 3.49Å; I93-T104 HydrophobicContact CB-CG2 4.44Å; I93-T104 HydrophobicContact CG2-CG2 3.55Å; I93-L105 HydrophobicContact CD1-CB 4.49Å; I93-L105 HydrophobicContact CD1-CD1 3.69Å; I93-T108 WeakPolarHBondContact CG2-OG1 3.41Å; I93-I146 HydrophobicContact CD1-CG2 3.65Å; I93-I150 HydrophobicContact CD1-CD1 4.06Å; I93-I150 HydrophobicContact CD1-CG2 4.43Å; I93-I150 HydrophobicContact CG1-CG2 4.33Å |
| 94 | R | 95.2 | Very high | 96.9 | Very high | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.4 | -171.9 | 68.2 | -178.1 | -178.5 | -152.5 | -4 | 115.3 | R90 D91 | R90-R94 HydrophobicContact CG-CB 4.4Å; R90-R94 WeakPolarHBondContact O-CB 3.4Å; R90-R94 PolarHBondContact O-N 2.92Å; D91-R94 VanDerWaalsContact CG-CZ 3.48Å; D91-R94 IonicContact OD1-CZ 3.79Å; D91-R94 IonicContact OD1-NE 3.88Å; D91-R94 IonicContact OD1-NH1 2.82Å; D91-R94 PolarHBondContact OD1-NH1 3.48Å; D91-R94 IonicContact OD2-CZ 2.7Å; D91-R94 IonicContact OD2-NH1 3.49Å; D91-R94 PolarHBondContact OD2-NH1 3.11Å; D91-R94 IonicContact OD2-NH2 3.6Å |
| 95 | F | 95.1 | Very high | 97 | Very high | 156 Ų | 156 | 47.1 Ų | 47.1 | 68% | 0.684 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -7.4 | 179.9 | -61 | -68.6 | 0 | 0 | 0 | 113.4 | I93 | I93-F95 PolarHBondContact O-N 3.47Š|
| 96 | Y | 96.9 | Very high | 97 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 31% | 0.314 | 22% | 0.218 | S | C | . | . | trans | -85.5 | 153.2 | 176.4 | -61 | -48.2 | 0 | 0 | 0 | 111.4 | K92 I93 K100 L101 T104 | K92-Y96 WeakPolarHBondContact O-CE2 3.36Å; I93-Y96 HydrophobicContact CB-CD2 4.44Å; I93-Y96 PolarHBondContact O-N 3.44Å; Y96-K100 HydrophobicContact CD1-CD 3.61Å; Y96-K100 VanDerWaalsContact CD1-CE 3.49Å; Y96-K100 HydrophobicContact CD1-CG 4Å; Y96-K100 HydrophobicContact CE1-CD 3.89Å; Y96-K100 HydrophobicContact CG-CD 4.26Å; Y96-K100 HydrophobicContact CG-CG 4.14Å; Y96-L101 WeakPolarHBondContact O-CD1 3.43Å; Y96-T104 HydrophobicContact CD2-CG2 3.94Å; Y96-T104 HydrophobicContact CE2-CG2 3.83Å | ||
| 97 | E | 95.9 | Very high | 97 | Very high | 95 Ų | 95 | 53.4 Ų | 53.4 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | trans | -137.9 | 158.2 | 177.4 | -61.8 | -167.6 | 168.4 | 0 | 0 | 111.4 | L101 K151 R158 | E97-L101 PolarHBondContact O-N 2.92Å; E97-K151 HydrophobicContact CG-CD 4.47Å; E97-K151 IonicContact OE1-NZ 2.7Å; E97-K151 PolarHBondContact OE1-NZ 3.37Å; E97-R158 IonicContact OE2-NH2 3.8Å | ||
| 98 | G | 96.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | 62.6 | -138.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K100 L101 L102 R158 | G98-K100 VanDerWaalsContact C-N 3.32Å; G98-K100 PolarHBondContact O-N 3.32Å; G98-L101 WeakPolarHBondContact O-CB 3.45Å; G98-L101 PolarHBondContact O-N 3.48Å; G98-L101 VanDerWaalsContact O-N 3.12Å; G98-L102 PolarHBondContact O-N 3.46Å; G98-L102 VanDerWaalsContact O-N 3.12Å; G98-R158 VanDerWaalsContact CA-CZ 3.45Å |
| 99 | Q | 97.4 | Very high | 97.1 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60 | -41.5 | -176.8 | -168.9 | 59.8 | 45.6 | 0 | 0 | 112.3 | L101 L102 D103 R162 | Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.3Å; Q99-L102 WeakPolarHBondContact O-CB 3.44Å; Q99-L102 PolarHBondContact O-N 2.86Å; Q99-D103 PolarHBondContact NE2-OD1 3.36Å; Q99-D103 VanDerWaalsContact O-CG 3.28Å; Q99-D103 PolarHBondContact O-N 2.88Å; Q99-R162 PolarHBondContact NE2-O 3.46Å; Q99-R162 PolarHBondContact OE1-O 2.84Å |
| 100 | K | 97 | Very high | 97.2 | Very high | 119 Ų | 119 | 52.9 Ų | 52.9 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 177.5 | -172 | 174.4 | -176.7 | -177.1 | 0 | 112.1 | Y96 G98 T104 | Y96-K100 HydrophobicContact CD1-CD 3.61Å; Y96-K100 VanDerWaalsContact CD1-CE 3.49Å; Y96-K100 HydrophobicContact CD1-CG 4Å; Y96-K100 HydrophobicContact CE1-CD 3.89Å; Y96-K100 HydrophobicContact CG-CD 4.26Å; Y96-K100 HydrophobicContact CG-CG 4.14Å; G98-K100 VanDerWaalsContact C-N 3.32Å; G98-K100 PolarHBondContact O-N 3.32Å; K100-T104 WeakPolarHBondContact O-CB 3.41Å; K100-T104 PolarHBondContact O-N 3.1Å; K100-T104 PolarHBondContact O-OG1 3.47Å |
| 101 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 172.9 | -179.8 | 65.3 | 0 | 0 | 0 | 110.9 | I93 Y96 E97 G98 Q99 L105 I150 K151 A155 | I93-L101 WeakPolarHBondContact O-CD1 3.49Å; Y96-L101 WeakPolarHBondContact O-CD1 3.43Å; E97-L101 PolarHBondContact O-N 2.92Å; G98-L101 WeakPolarHBondContact O-CB 3.45Å; G98-L101 PolarHBondContact O-N 3.48Å; G98-L101 VanDerWaalsContact O-N 3.12Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.3Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 PolarHBondContact O-N 2.97Å; L101-I150 HydrophobicContact CD1-CD1 4.32Å; L101-K151 HydrophobicContact CD2-CB 4.37Å; L101-K151 WeakPolarHBondContact CD2-O 3.09Å; L101-A155 HydrophobicContact CD2-CB 3.97Å |
| 102 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -49.2 | 179.1 | -60.3 | 179.6 | 0 | 0 | 0 | 111.2 | G98 Q99 T104 L105 A106 L152 A155 L156 A161 P164 I167 | G98-L102 PolarHBondContact O-N 3.46Å; G98-L102 VanDerWaalsContact O-N 3.12Å; Q99-L102 WeakPolarHBondContact O-CB 3.44Å; Q99-L102 PolarHBondContact O-N 2.86Å; L102-T104 PolarHBondContact O-N 3.24Å; L102-L105 PolarHBondContact O-N 3.49Å; L102-A106 WeakPolarHBondContact O-CB 3.05Å; L102-A106 PolarHBondContact O-N 3.38Å; L102-L152 HydrophobicContact CD2-CD1 3.6Å; L102-A155 HydrophobicContact CD2-CB 3.83Å; L102-A155 HydrophobicContact CG-CB 4.1Å; L102-L156 HydrophobicContact CD1-CD2 4.48Å; L102-L156 HydrophobicContact CD2-CD2 3.82Å; L102-L156 HydrophobicContact CD2-CG 4.34Å; L102-A161 HydrophobicContact CD1-CB 4.07Å; L102-P164 HydrophobicContact CB-CG 4.36Å; L102-I167 HydrophobicContact CB-CD1 3.75Å; L102-I167 HydrophobicContact CD2-CD1 3.65Å; L102-I167 HydrophobicContact CG-CD1 4.27Å; L102-I167 WeakPolarHBondContact O-CD1 3.39Å |
| 103 | D | 98.2 | Very high | 97.6 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.4 | -45.4 | -179 | -59.7 | -24.5 | 0 | 0 | 0 | 111.1 | Q99 L105 A106 E107 | Q99-D103 PolarHBondContact NE2-OD1 3.36Å; Q99-D103 VanDerWaalsContact O-CG 3.28Å; Q99-D103 PolarHBondContact O-N 2.88Å; D103-L105 PolarHBondContact O-N 2.89Å; D103-A106 WeakPolarHBondContact O-CB 3.36Å; D103-A106 PolarHBondContact O-N 3.11Å; D103-E107 PolarHBondContact O-N 3.41Å; D103-E107 VanDerWaalsContact O-N 3.08Å |
| 104 | T | 98.3 | Very high | 97.7 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.3 | -34.4 | 179.4 | -42.5 | 0 | 0 | 0 | 0 | 112.1 | I93 Y96 K100 L102 A106 E107 T108 | I93-T104 HydrophobicContact CB-CG2 4.44Å; I93-T104 HydrophobicContact CG2-CG2 3.55Å; Y96-T104 HydrophobicContact CD2-CG2 3.94Å; Y96-T104 HydrophobicContact CE2-CG2 3.83Å; K100-T104 WeakPolarHBondContact O-CB 3.41Å; K100-T104 PolarHBondContact O-N 3.1Å; K100-T104 PolarHBondContact O-OG1 3.47Å; L102-T104 PolarHBondContact O-N 3.24Å; T104-A106 VanDerWaalsContact C-N 3.34Å; T104-E107 PolarHBondContact O-N 3.27Å; T104-T108 WeakPolarHBondContact O-CB 3.48Å; T104-T108 PolarHBondContact O-N 3.05Å; T104-T108 PolarHBondContact O-OG1 3.16Å |
| 105 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 174.6 | 177.9 | 62.1 | 0 | 0 | 0 | 110.9 | I93 L101 L102 D103 T108 W109 F142 I146 I150 L152 I167 M170 | I93-L105 HydrophobicContact CD1-CB 4.49Å; I93-L105 HydrophobicContact CD1-CD1 3.69Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 PolarHBondContact O-N 2.97Å; L102-L105 PolarHBondContact O-N 3.49Å; D103-L105 PolarHBondContact O-N 2.89Å; L105-T108 PolarHBondContact O-N 3.19Å; L105-W109 WeakPolarHBondContact O-CB 3.27Å; L105-W109 PolarHBondContact O-N 3.38Å; L105-F142 HydrophobicContact CD1-CZ 4.38Å; L105-I146 HydrophobicContact CD1-CG2 4.13Å; L105-I150 HydrophobicContact CD1-CD1 3.81Å; L105-I150 HydrophobicContact CD2-CD1 3.71Å; L105-I150 HydrophobicContact CG-CD1 4.28Å; L105-L152 HydrophobicContact CD2-CD1 3.69Å; L105-L152 HydrophobicContact CD2-CD2 3.93Å; L105-L152 HydrophobicContact CD2-CG 4.36Å; L105-I167 HydrophobicContact CD2-CD1 4.27Å; L105-M170 HydrophobicContact CD1-SD 4.31Å; L105-M170 HydrophobicContact CD2-CE 3.91Å; L105-M170 HydrophobicContact CG-CE 4.31Å; L105-M170 HydrophobicContact CG-SD 4.36Å |
| 106 | A | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -49.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L102 D103 T104 T108 W109 D110 P164 I167 | L102-A106 WeakPolarHBondContact O-CB 3.05Å; L102-A106 PolarHBondContact O-N 3.38Å; D103-A106 WeakPolarHBondContact O-CB 3.36Å; D103-A106 PolarHBondContact O-N 3.11Å; T104-A106 VanDerWaalsContact C-N 3.34Å; A106-T108 VanDerWaalsContact C-N 3.28Å; A106-T108 PolarHBondContact O-N 3Å; A106-W109 PolarHBondContact O-N 3.12Å; A106-D110 VanDerWaalsContact O-CG 3.3Å; A106-D110 PolarHBondContact O-N 3.45Å; A106-P164 HydrophobicContact CB-CB 3.73Å; A106-P164 HydrophobicContact CB-CG 3.97Å; A106-I167 HydrophobicContact CB-CG1 4.16Å |
| 107 | E | 98.4 | Very high | 98 | Very high | 124 Ų | 124 | 37.7 Ų | 37.7 | 58% | 0.579 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -60.9 | -36.4 | 176.2 | -69.1 | 176.5 | -172.3 | 0 | 0 | 113.1 | R46 D103 T104 F111 | R46-E107 PolarHBondContact NH2-O 2.76Å; D103-E107 PolarHBondContact O-N 3.41Å; D103-E107 VanDerWaalsContact O-N 3.08Å; T104-E107 PolarHBondContact O-N 3.27Å; E107-F111 WeakPolarHBondContact O-CB 3.33Å; E107-F111 PolarHBondContact O-N 3.33Å; E107-F111 VanDerWaalsContact O-N 3.16Å |
| 108 | T | 98.5 | Very high | 98.1 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.3 | -40.1 | 178.1 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | L89 I93 T104 L105 A106 F112 | L89-T108 HydrophobicContact CB-CG2 4.04Å; I93-T108 WeakPolarHBondContact CG2-OG1 3.41Å; T104-T108 WeakPolarHBondContact O-CB 3.48Å; T104-T108 PolarHBondContact O-N 3.05Å; T104-T108 PolarHBondContact O-OG1 3.16Å; L105-T108 PolarHBondContact O-N 3.19Å; A106-T108 VanDerWaalsContact C-N 3.28Å; A106-T108 PolarHBondContact O-N 3Å; T108-F112 VanDerWaalsContact O-CB 3.3Å; T108-F112 WeakPolarHBondContact O-CB 3.46Å; T108-F112 PolarHBondContact O-N 2.92Å |
| 109 | W | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -49 | 173.6 | 169.4 | -104.8 | 0 | 0 | 0 | 111.4 | L105 A106 F111 F112 F113 L139 F142 M170 I173 L174 | L105-W109 WeakPolarHBondContact O-CB 3.27Å; L105-W109 PolarHBondContact O-N 3.38Å; A106-W109 PolarHBondContact O-N 3.12Å; W109-F111 VanDerWaalsContact C-N 3.28Å; W109-F111 PolarHBondContact O-N 2.85Å; W109-F112 AromaticContact CE3-CD1 4Å; W109-F112 HydrophobicContact CE3-CD1 4Å; W109-F112 AromaticContact CZ3-CD1 3.85Å; W109-F112 HydrophobicContact CZ3-CD1 3.85Å; W109-F112 HydrophobicContact CZ3-CE1 4.11Å; W109-F112 PolarHBondContact O-N 3.27Å; W109-F112 VanDerWaalsContact O-N 3.1Å; W109-F113 HydrophobicContact CD2-CB 4.21Å; W109-F113 HydrophobicContact CH2-CB 4.28Å; W109-F113 AromaticContact CH2-CD2 3.43Å; W109-F113 HydrophobicContact CH2-CD2 3.43Å; W109-F113 VanDerWaalsContact CH2-CD2 3.43Å; W109-F113 HydrophobicContact CH2-CE2 4.06Å; W109-F113 HydrophobicContact CH2-CG 4.13Å; W109-F113 HydrophobicContact CZ2-CB 3.88Å; W109-F113 AromaticContact CZ2-CD2 3.31Å; W109-F113 HydrophobicContact CZ2-CD2 3.31Å; W109-F113 AromaticContact CZ2-CE2 3.9Å; W109-F113 HydrophobicContact CZ2-CE2 3.9Å; W109-F113 AromaticContact CZ2-CG 3.66Å; W109-F113 HydrophobicContact CZ2-CG 3.66Å; W109-F113 HydrophobicContact CZ3-CD2 4.3Å; W109-F113 VanDerWaalsContact O-CB 3.31Å; W109-F113 WeakPolarHBondContact O-CB 3.28Å; W109-F113 PolarHBondContact O-N 3.02Å; W109-L139 HydrophobicContact CH2-CD2 3.77Å; W109-L139 HydrophobicContact CZ3-CD2 4.09Å; W109-F142 HydrophobicContact CB-CZ 4.3Å; W109-F142 HydrophobicContact CE3-CD1 4.09Å; W109-F142 HydrophobicContact CE3-CD2 4.41Å; W109-F142 AromaticContact CE3-CE1 3.76Å; W109-F142 HydrophobicContact CE3-CE1 3.76Å; W109-F142 HydrophobicContact CE3-CE2 4.08Å; W109-F142 HydrophobicContact CE3-CG 4.42Å; W109-F142 AromaticContact CE3-CZ 3.76Å; W109-F142 HydrophobicContact CE3-CZ 3.76Å; W109-F142 HydrophobicContact CZ3-CD1 4.14Å; W109-F142 HydrophobicContact CZ3-CE1 4.28Å; W109-F142 HydrophobicContact CZ3-CG 4.33Å; W109-M170 HydrophobicContact CB-SD 4.01Å; W109-M170 HydrophobicContact CD2-CB 3.48Å; W109-M170 VanDerWaalsContact CD2-CB 3.48Å; W109-M170 HydrophobicContact CD2-CG 3.47Å; W109-M170 VanDerWaalsContact CD2-CG 3.47Å; W109-M170 HydrophobicContact CD2-SD 4.07Å; W109-M170 HydrophobicContact CE3-CB 4.03Å; W109-M170 HydrophobicContact CE3-CG 3.47Å; W109-M170 VanDerWaalsContact CE3-CG 3.47Å; W109-M170 HydrophobicContact CE3-SD 4.01Å; W109-M170 HydrophobicContact CG-CB 3.68Å; W109-M170 HydrophobicContact CG-CG 3.94Å; W109-M170 HydrophobicContact CG-SD 4.08Å; W109-M170 HydrophobicContact CH2-CB 4.47Å; W109-M170 HydrophobicContact CH2-CG 4.22Å; W109-M170 HydrophobicContact CZ2-CB 4.04Å; W109-M170 HydrophobicContact CZ2-CG 4.28Å; W109-M170 HydrophobicContact CZ3-CB 4.48Å; W109-M170 HydrophobicContact CZ3-CG 3.85Å; W109-I173 HydrophobicContact CH2-CB 4.38Å; W109-I173 HydrophobicContact CH2-CG2 4.05Å; W109-I173 HydrophobicContact CZ2-CB 4.3Å; W109-I173 HydrophobicContact CZ2-CD1 3.81Å; W109-I173 HydrophobicContact CZ2-CG2 4.32Å; W109-L174 HydrophobicContact CZ3-CD2 4.4Å |
| 110 | D | 98.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 35.8 Ų | 35.8 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.9 | -42.8 | -177.6 | -71.7 | -21.8 | 0 | 0 | 0 | 110.9 | A106 S114 S166 | A106-D110 VanDerWaalsContact O-CG 3.3Å; A106-D110 PolarHBondContact O-N 3.45Å; D110-S114 WeakPolarHBondContact O-CB 3.21Å; D110-S114 PolarHBondContact O-N 3.49Å; D110-S114 PolarHBondContact O-OG 3.32Å; D110-S166 VanDerWaalsContact OD1-CB 3.23Å; D110-S166 WeakPolarHBondContact OD1-CB 3.43Å; D110-S166 PolarHBondContact OD1-OG 3.34Å; D110-S166 VanDerWaalsContact OD1-OG 3.08Å; D110-S166 PolarHBondContact OD2-OG 2.94Å |
| 111 | F | 98.4 | Very high | 98.1 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 172.9 | 169.4 | -116.7 | 0 | 0 | 0 | 113.3 | V43 R46 L89 E107 W109 F113 D115 V116 | V43-F111 WeakPolarHBondContact O-CZ 3.33Å; R46-F111 HydrophobicContact CB-CE2 4.35Å; R46-F111 HydrophobicContact CB-CZ 4.11Å; R46-F111 HydrophobicContact CG-CD1 4.11Å; R46-F111 HydrophobicContact CG-CD2 3.93Å; R46-F111 HydrophobicContact CG-CE1 3.52Å; R46-F111 HydrophobicContact CG-CE2 3.38Å; R46-F111 HydrophobicContact CG-CG 4.29Å; R46-F111 HydrophobicContact CG-CZ 3.13Å; R46-F111 VanDerWaalsContact NH1-CD2 3.33Å; L89-F111 HydrophobicContact CD2-CD1 4.08Å; L89-F111 HydrophobicContact CD2-CE1 3.87Å; E107-F111 WeakPolarHBondContact O-CB 3.33Å; E107-F111 PolarHBondContact O-N 3.33Å; E107-F111 VanDerWaalsContact O-N 3.16Å; W109-F111 VanDerWaalsContact C-N 3.28Å; W109-F111 PolarHBondContact O-N 2.85Å; F111-F113 VanDerWaalsContact C-N 3.34Å; F111-F113 PolarHBondContact O-N 3Å; F111-D115 HydrophobicContact CD2-CB 3.72Å; F111-D115 WeakPolarHBondContact CD2-OD2 3.42Å; F111-D115 HydrophobicContact CE2-CB 3.68Å; F111-D115 WeakPolarHBondContact O-CA 3.2Å; F111-D115 VanDerWaalsContact O-CB 3.31Å; F111-D115 WeakPolarHBondContact O-CB 3.34Å; F111-D115 PolarHBondContact O-N 2.96Å; F111-V116 HydrophobicContact CD1-CG2 3.97Å; F111-V116 HydrophobicContact CD2-CG2 4.48Å; F111-V116 HydrophobicContact CE1-CG2 3.38Å; F111-V116 HydrophobicContact CE2-CG2 3.91Å; F111-V116 HydrophobicContact CG-CG2 4.48Å; F111-V116 HydrophobicContact CZ-CG2 3.31Å; F111-V116 PolarHBondContact O-N 3.42Å; F111-V116 VanDerWaalsContact O-N 3.13Å |
| 112 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -61.3 | -46.7 | 178.9 | 169.3 | -100 | 0 | 0 | 0 | 111.2 | F44 M86 L89 T108 W109 V116 L117 A138 L139 F142 | F44-F112 HydrophobicContact CE1-CD2 4.42Å; F44-F112 HydrophobicContact CE1-CE2 4.48Å; M86-F112 HydrophobicContact CE-CD2 4.14Å; M86-F112 HydrophobicContact CE-CE2 3.33Å; M86-F112 HydrophobicContact CE-CZ 3.65Å; M86-F112 HydrophobicContact SD-CD2 4.45Å; M86-F112 HydrophobicContact SD-CE2 4.19Å; L89-F112 HydrophobicContact CD1-CB 4.2Å; L89-F112 HydrophobicContact CD1-CD2 4.05Å; L89-F112 HydrophobicContact CD1-CG 4.48Å; T108-F112 VanDerWaalsContact O-CB 3.3Å; T108-F112 WeakPolarHBondContact O-CB 3.46Å; T108-F112 PolarHBondContact O-N 2.92Å; W109-F112 AromaticContact CE3-CD1 4Å; W109-F112 HydrophobicContact CE3-CD1 4Å; W109-F112 AromaticContact CZ3-CD1 3.85Å; W109-F112 HydrophobicContact CZ3-CD1 3.85Å; W109-F112 HydrophobicContact CZ3-CE1 4.11Å; W109-F112 PolarHBondContact O-N 3.27Å; W109-F112 VanDerWaalsContact O-N 3.1Å; F112-V116 HydrophobicContact CD2-CB 3.96Å; F112-V116 HydrophobicContact CD2-CG1 3.95Å; F112-V116 HydrophobicContact CE2-CG1 4.19Å; F112-V116 PolarHBondContact O-N 2.87Å; F112-L117 HydrophobicContact CE1-CB 4.38Å; F112-L117 HydrophobicContact CE1-CD2 4.46Å; F112-L117 HydrophobicContact CZ-CB 4.24Å; F112-L117 VanDerWaalsContact O-CB 3.23Å; F112-L117 WeakPolarHBondContact O-CB 3.33Å; F112-L117 PolarHBondContact O-N 3.19Å; F112-A138 HydrophobicContact CE2-CB 4.41Å; F112-A138 HydrophobicContact CZ-CB 3.92Å; F112-L139 HydrophobicContact CE1-CD2 4.06Å; F112-F142 HydrophobicContact CB-CD2 4.03Å; F112-F142 HydrophobicContact CB-CE2 3.74Å; F112-F142 HydrophobicContact CD1-CB 4.48Å; F112-F142 AromaticContact CD1-CD2 3.38Å; F112-F142 HydrophobicContact CD1-CD2 3.38Å; F112-F142 AromaticContact CD1-CE2 3.81Å; F112-F142 HydrophobicContact CD1-CE2 3.81Å; F112-F142 HydrophobicContact CD1-CG 4.07Å; F112-F142 AromaticContact CD2-CD2 3.98Å; F112-F142 HydrophobicContact CD2-CD2 3.98Å; F112-F142 HydrophobicContact CE1-CB 4.02Å; F112-F142 AromaticContact CE1-CD2 3.77Å; F112-F142 HydrophobicContact CE1-CD2 3.77Å; F112-F142 HydrophobicContact CE1-CG 4.1Å; F112-F142 HydrophobicContact CE2-CD2 4.33Å; F112-F142 AromaticContact CG-CD2 3.48Å; F112-F142 HydrophobicContact CG-CD2 3.48Å; F112-F142 VanDerWaalsContact CG-CD2 3.48Å; F112-F142 AromaticContact CG-CE2 3.74Å; F112-F142 HydrophobicContact CG-CE2 3.74Å; F112-F142 HydrophobicContact CZ-CB 4.21Å; F112-F142 HydrophobicContact CZ-CD2 4.23Å |
| 113 | F | 98.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 35.1 Ų | 35.1 | 18% | 0.184 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -76.9 | -34.5 | -173 | -168.6 | -99.1 | 0 | 0 | 0 | 113 | W109 F111 L117 P118 R135 L139 I173 | W109-F113 HydrophobicContact CD2-CB 4.21Å; W109-F113 HydrophobicContact CH2-CB 4.28Å; W109-F113 AromaticContact CH2-CD2 3.43Å; W109-F113 HydrophobicContact CH2-CD2 3.43Å; W109-F113 VanDerWaalsContact CH2-CD2 3.43Å; W109-F113 HydrophobicContact CH2-CE2 4.06Å; W109-F113 HydrophobicContact CH2-CG 4.13Å; W109-F113 HydrophobicContact CZ2-CB 3.88Å; W109-F113 AromaticContact CZ2-CD2 3.31Å; W109-F113 HydrophobicContact CZ2-CD2 3.31Å; W109-F113 AromaticContact CZ2-CE2 3.9Å; W109-F113 HydrophobicContact CZ2-CE2 3.9Å; W109-F113 AromaticContact CZ2-CG 3.66Å; W109-F113 HydrophobicContact CZ2-CG 3.66Å; W109-F113 HydrophobicContact CZ3-CD2 4.3Å; W109-F113 VanDerWaalsContact O-CB 3.31Å; W109-F113 WeakPolarHBondContact O-CB 3.28Å; W109-F113 PolarHBondContact O-N 3.02Å; F111-F113 VanDerWaalsContact C-N 3.34Å; F111-F113 PolarHBondContact O-N 3Å; F113-L117 HydrophobicContact CD2-CD2 3.83Å; F113-L117 HydrophobicContact CE2-CD2 4.06Å; F113-P118 VanDerWaalsContact O-CD 3.27Å; F113-P118 WeakPolarHBondContact O-CD 3.34Å; F113-R135 VanDerWaalsContact CZ-NH2 3.3Å; F113-L139 HydrophobicContact CD2-CD2 4.42Å; F113-I173 HydrophobicContact CE1-CD1 4.32Å; F113-I173 HydrophobicContact CE2-CD1 3.83Å; F113-I173 HydrophobicContact CE2-CG2 4.09Å; F113-I173 HydrophobicContact CZ-CD1 3.69Å |
| 114 | S | 98.1 | Very high | 97.7 | Very high | 75 Ų | 75 | 32.1 Ų | 32.1 | 52% | 0.524 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -92.6 | -30.6 | -175.7 | -48.4 | 0 | 0 | 0 | 0 | 113.2 | D110 P118 | D110-S114 WeakPolarHBondContact O-CB 3.21Å; D110-S114 PolarHBondContact O-N 3.49Å; D110-S114 PolarHBondContact O-OG 3.32Å; S114-P118 WeakPolarHBondContact O-CG 3.25Å |
| 115 | D | 97.5 | Very high | 97.5 | Very high | 89 Ų | 89 | 36.8 Ų | 36.8 | 48% | 0.476 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -112.9 | -58.6 | -175.7 | -55.7 | -80.2 | 0 | 0 | 0 | 111.9 | F111 M119 | F111-D115 HydrophobicContact CD2-CB 3.72Å; F111-D115 WeakPolarHBondContact CD2-OD2 3.42Å; F111-D115 HydrophobicContact CE2-CB 3.68Å; F111-D115 WeakPolarHBondContact O-CA 3.2Å; F111-D115 VanDerWaalsContact O-CB 3.31Å; F111-D115 WeakPolarHBondContact O-CB 3.34Å; F111-D115 PolarHBondContact O-N 2.96Å; D115-M119 VanDerWaalsContact O-CB 3.24Å; D115-M119 WeakPolarHBondContact O-CB 3.38Å; D115-M119 PolarHBondContact O-N 2.77Å; D115-M119 VanDerWaalsContact O-N 3.13Å |
| 116 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -66.3 | -50.7 | -171.7 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | V43 F44 F111 F112 M119 L120 | V43-V116 HydrophobicContact CG1-CB 4.22Å; V43-V116 HydrophobicContact CG1-CG1 4.06Å; V43-V116 HydrophobicContact CG1-CG2 4.21Å; F44-V116 HydrophobicContact CD1-CG1 3.89Å; F44-V116 HydrophobicContact CD2-CG1 4.26Å; F44-V116 HydrophobicContact CE1-CG1 3.65Å; F44-V116 HydrophobicContact CE2-CG1 4.02Å; F44-V116 HydrophobicContact CG-CG1 4.2Å; F44-V116 HydrophobicContact CZ-CG1 3.71Å; F111-V116 HydrophobicContact CD1-CG2 3.97Å; F111-V116 HydrophobicContact CD2-CG2 4.48Å; F111-V116 HydrophobicContact CE1-CG2 3.38Å; F111-V116 HydrophobicContact CE2-CG2 3.91Å; F111-V116 HydrophobicContact CG-CG2 4.48Å; F111-V116 HydrophobicContact CZ-CG2 3.31Å; F111-V116 PolarHBondContact O-N 3.42Å; F111-V116 VanDerWaalsContact O-N 3.13Å; F112-V116 HydrophobicContact CD2-CB 3.96Å; F112-V116 HydrophobicContact CD2-CG1 3.95Å; F112-V116 HydrophobicContact CE2-CG1 4.19Å; F112-V116 PolarHBondContact O-N 2.87Å; V116-M119 PolarHBondContact O-N 2.88Å; V116-L120 HydrophobicContact CG1-CD1 3.8Å; V116-L120 HydrophobicContact CG1-CG 4.13Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 2.93Å |
| 117 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -49.8 | -175 | 170.1 | 61.9 | 0 | 0 | 0 | 111.9 | F112 F113 M119 L120 Q121 R135 A138 L139 | F112-L117 HydrophobicContact CE1-CB 4.38Å; F112-L117 HydrophobicContact CE1-CD2 4.46Å; F112-L117 HydrophobicContact CZ-CB 4.24Å; F112-L117 VanDerWaalsContact O-CB 3.23Å; F112-L117 WeakPolarHBondContact O-CB 3.33Å; F112-L117 PolarHBondContact O-N 3.19Å; F113-L117 HydrophobicContact CD2-CD2 3.83Å; F113-L117 HydrophobicContact CE2-CD2 4.06Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3Å; L117-L120 PolarHBondContact O-N 3.39Å; L117-Q121 HydrophobicContact CD1-CG 4.27Å; L117-Q121 WeakPolarHBondContact O-CG 3.3Å; L117-Q121 PolarHBondContact O-N 3.39Å; L117-R135 HydrophobicContact CD1-CB 4.19Å; L117-R135 HydrophobicContact CD1-CG 4.15Å; L117-R135 HydrophobicContact CD2-CG 4.37Å; L117-R135 VanDerWaalsContact CD2-NH1 3.29Å; L117-A138 HydrophobicContact CD1-CB 3.93Å; L117-L139 HydrophobicContact CD2-CD2 4.2Å; L117-L139 HydrophobicContact CD2-CG 4.39Å |
| 118 | P | 97.6 | Very high | 96 | Very high | 56 Ų | 56 | 38.8 Ų | 38.8 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.2 | -38.7 | 173.4 | -28.3 | 38.9 | 0 | 0 | 0 | 112.8 | F113 S114 Q121 A122 | F113-P118 VanDerWaalsContact O-CD 3.27Å; F113-P118 WeakPolarHBondContact O-CD 3.34Å; S114-P118 WeakPolarHBondContact O-CG 3.25Å; P118-Q121 WeakPolarHBondContact O-CB 3.49Å; P118-Q121 PolarHBondContact O-N 2.94Å; P118-A122 WeakPolarHBondContact O-CB 3.27Å; P118-A122 PolarHBondContact O-N 3.23Å |
| 119 | M | 97.6 | Very high | 95 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.8 | -40.2 | 178.2 | -164.9 | 57.3 | 52.7 | 0 | 0 | 112.4 | V43 L49 L54 D115 V116 L117 Q121 A122 I123 | V43-M119 HydrophobicContact CB-CG 4.44Å; V43-M119 HydrophobicContact CG1-CB 3.87Å; V43-M119 HydrophobicContact CG1-CG 3.98Å; V43-M119 HydrophobicContact CG2-CB 4.35Å; V43-M119 HydrophobicContact CG2-CG 3.54Å; L49-M119 HydrophobicContact CD1-CG 4.17Å; L49-M119 HydrophobicContact CD1-SD 3.83Å; L54-M119 HydrophobicContact CD1-SD 4.19Å; D115-M119 VanDerWaalsContact O-CB 3.24Å; D115-M119 WeakPolarHBondContact O-CB 3.38Å; D115-M119 PolarHBondContact O-N 2.77Å; D115-M119 VanDerWaalsContact O-N 3.13Å; V116-M119 PolarHBondContact O-N 2.88Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3Å; M119-Q121 VanDerWaalsContact C-N 3.33Å; M119-Q121 PolarHBondContact O-N 2.93Å; M119-A122 PolarHBondContact O-N 3Å; M119-A122 VanDerWaalsContact O-N 3.16Å; M119-I123 HydrophobicContact CG-CD1 4.18Å; M119-I123 VanDerWaalsContact O-CG1 3.29Å; M119-I123 WeakPolarHBondContact O-CG1 3.45Å; M119-I123 PolarHBondContact O-N 3.42Å |
| 120 | L | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 171.4 | -70.8 | 172.4 | 0 | 0 | 0 | 111 | V40 F44 L82 V116 L117 A122 I123 F124 V134 A138 | V40-L120 HydrophobicContact CG1-CD2 3.76Å; V40-L120 HydrophobicContact CG2-CD2 4.27Å; F44-L120 HydrophobicContact CE2-CD1 4.06Å; F44-L120 HydrophobicContact CE2-CD2 4.12Å; F44-L120 HydrophobicContact CZ-CD1 3.94Å; L82-L120 HydrophobicContact CD2-CD1 3.8Å; V116-L120 HydrophobicContact CG1-CD1 3.8Å; V116-L120 HydrophobicContact CG1-CG 4.13Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 2.93Å; L117-L120 PolarHBondContact O-N 3.39Å; L120-A122 VanDerWaalsContact C-N 3.25Å; L120-A122 PolarHBondContact O-N 3.19Å; L120-I123 PolarHBondContact O-N 2.91Å; L120-F124 HydrophobicContact CB-CD2 4.47Å; L120-F124 HydrophobicContact CD2-CD2 4.43Å; L120-F124 HydrophobicContact CD2-CE2 3.92Å; L120-F124 WeakPolarHBondContact O-CB 3.2Å; L120-F124 WeakPolarHBondContact O-CD2 3.38Å; L120-F124 PolarHBondContact O-N 3.35Å; L120-V134 HydrophobicContact CB-CG1 4.18Å; L120-A138 HydrophobicContact CD1-CB 4.27Å |
| 121 | Q | 96.3 | Very high | 93.2 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 175.6 | -68.7 | 178.6 | -81.2 | 0 | 0 | 111.9 | L117 P118 M119 F124 Y125 | L117-Q121 HydrophobicContact CD1-CG 4.27Å; L117-Q121 WeakPolarHBondContact O-CG 3.3Å; L117-Q121 PolarHBondContact O-N 3.39Å; P118-Q121 WeakPolarHBondContact O-CB 3.49Å; P118-Q121 PolarHBondContact O-N 2.94Å; M119-Q121 VanDerWaalsContact C-N 3.33Å; M119-Q121 PolarHBondContact O-N 2.93Å; Q121-F124 CarbonylContact O-C 3.59Å; Q121-Y125 WeakPolarHBondContact O-CA 3.4Å; Q121-Y125 PolarHBondContact O-N 3.42Å |
| 122 | A | 96.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 54.2 Ų | 54.2 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73.7 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L54 N58 P118 M119 L120 F124 | L54-A122 HydrophobicContact CD1-CB 4.01Å; L54-A122 HydrophobicContact CD2-CB 4.16Å; N58-A122 PolarHBondContact ND2-O 3.5Å; N58-A122 PolarHBondContact OD1-O 3.15Å; P118-A122 WeakPolarHBondContact O-CB 3.27Å; P118-A122 PolarHBondContact O-N 3.23Å; M119-A122 PolarHBondContact O-N 3Å; M119-A122 VanDerWaalsContact O-N 3.16Å; L120-A122 VanDerWaalsContact C-N 3.25Å; L120-A122 PolarHBondContact O-N 3.19Å; A122-F124 VanDerWaalsContact C-N 3.33Å |
| 123 | I | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.5 | -68.5 | 166.2 | 0 | 0 | 0 | 110.2 | V40 V43 L49 L54 L57 M119 L120 | V40-I123 HydrophobicContact CG2-CD1 4.08Å; V40-I123 HydrophobicContact CG2-CG2 4.4Å; V43-I123 HydrophobicContact CG2-CD1 4.22Å; L49-I123 HydrophobicContact CD1-CD1 4.15Å; L49-I123 HydrophobicContact CD1-CG1 4.31Å; L54-I123 HydrophobicContact CD1-CB 4.42Å; L54-I123 HydrophobicContact CD1-CG1 3.66Å; L57-I123 HydrophobicContact CB-CG2 4.25Å; L57-I123 HydrophobicContact CD1-CD1 4.1Å; L57-I123 HydrophobicContact CD1-CG1 4.05Å; L57-I123 HydrophobicContact CD1-CG2 4.49Å; M119-I123 HydrophobicContact CG-CD1 4.18Å; M119-I123 VanDerWaalsContact O-CG1 3.29Å; M119-I123 WeakPolarHBondContact O-CG1 3.45Å; M119-I123 PolarHBondContact O-N 3.42Å; L120-I123 PolarHBondContact O-N 2.91Å |
| 124 | F | 95 | Very high | 92.3 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 19.2 | -175.7 | -60.2 | -57 | 0 | 0 | 0 | 114 | I36 V40 V61 F73 L77 L81 L120 Q121 A122 P126 V127 V134 | I36-F124 HydrophobicContact CG2-CE1 3.97Å; I36-F124 HydrophobicContact CG2-CZ 4.13Å; V40-F124 HydrophobicContact CG2-CE2 3.92Å; V40-F124 HydrophobicContact CG2-CZ 3.69Å; V61-F124 HydrophobicContact CG1-CD1 4.35Å; V61-F124 HydrophobicContact CG2-CD1 3.92Å; V61-F124 HydrophobicContact CG2-CE1 3.95Å; F73-F124 AromaticContact CE1-CD1 3.8Å; F73-F124 HydrophobicContact CE1-CD1 3.8Å; F73-F124 HydrophobicContact CE1-CE1 4.06Å; F73-F124 HydrophobicContact CE2-CE1 4.47Å; F73-F124 AromaticContact CZ-CD1 3.47Å; F73-F124 HydrophobicContact CZ-CD1 3.47Å; F73-F124 VanDerWaalsContact CZ-CD1 3.47Å; F73-F124 AromaticContact CZ-CE1 3.45Å; F73-F124 HydrophobicContact CZ-CE1 3.45Å; F73-F124 VanDerWaalsContact CZ-CE1 3.45Å; L77-F124 HydrophobicContact CD1-CD2 3.91Å; L77-F124 HydrophobicContact CD1-CE2 3.47Å; L77-F124 VanDerWaalsContact CD1-CE2 3.47Å; L77-F124 HydrophobicContact CD1-CZ 3.86Å; L81-F124 HydrophobicContact CD1-CE1 4.34Å; L81-F124 HydrophobicContact CD1-CE2 4.28Å; L81-F124 HydrophobicContact CD1-CZ 3.52Å; L120-F124 HydrophobicContact CB-CD2 4.47Å; L120-F124 HydrophobicContact CD2-CD2 4.43Å; L120-F124 HydrophobicContact CD2-CE2 3.92Å; L120-F124 WeakPolarHBondContact O-CB 3.2Å; L120-F124 WeakPolarHBondContact O-CD2 3.38Å; L120-F124 PolarHBondContact O-N 3.35Å; Q121-F124 CarbonylContact O-C 3.59Å; A122-F124 VanDerWaalsContact C-N 3.33Å; F124-P126 VanDerWaalsContact O-N 3.17Å; F124-V127 HydrophobicContact CB-CG2 4.04Å; F124-V127 HydrophobicContact CD1-CG2 4.33Å; F124-V127 WeakPolarHBondContact O-CB 3.33Å; F124-V127 WeakPolarHBondContact O-CG2 3.28Å; F124-V127 PolarHBondContact O-N 3.47Å; F124-V134 HydrophobicContact CB-CG1 4.35Å; F124-V134 HydrophobicContact CB-CG2 3.68Å; F124-V134 HydrophobicContact CD2-CG1 4.11Å; F124-V134 HydrophobicContact CG-CG2 4.44Å |
| 125 | Y | 94.5 | Very high | 92.2 | Very high | 122 Ų | 122 | 56.3 Ų | 56.3 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -49.1 | -37.5 | 172.6 | -179.4 | -89.6 | 0 | 0 | 0 | 113.5 | Q121 V127 Q128 | Q121-Y125 WeakPolarHBondContact O-CA 3.4Å; Q121-Y125 PolarHBondContact O-N 3.42Å; Y125-V127 PolarHBondContact O-N 3.49Å; Y125-V127 VanDerWaalsContact O-N 3.12Å; Y125-Q128 WeakPolarHBondContact O-CG 3Å; Y125-Q128 PolarHBondContact O-N 2.97Å |
| 126 | P | 93.1 | Very high | 92.1 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -68.4 | -10.1 | 179.5 | -20.5 | 34.7 | 0 | 0 | 0 | 115.1 | N58 V61 R62 L65 F124 Q128 | N58-P126 VanDerWaalsContact OD1-CD 3.27Å; N58-P126 WeakPolarHBondContact OD1-CD 3.24Å; V61-P126 HydrophobicContact CB-CG 4.31Å; V61-P126 HydrophobicContact CG1-CB 4.1Å; V61-P126 HydrophobicContact CG1-CG 4.11Å; R62-P126 HydrophobicContact CG-CB 3.56Å; R62-P126 HydrophobicContact CG-CG 3.64Å; L65-P126 HydrophobicContact CD1-CB 4.1Å; L65-P126 WeakPolarHBondContact CD1-O 3.47Å; F124-P126 VanDerWaalsContact O-N 3.17Å; P126-Q128 VanDerWaalsContact C-N 3.28Å; P126-Q128 PolarHBondContact O-N 2.92Å |
| 127 | V | 88.4 | Confident | 91.9 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -90.6 | 10.8 | -177.2 | -164 | 0 | 0 | 0 | 0 | 111.6 | V61 L65 F73 F124 Y125 K130 | V61-V127 HydrophobicContact CG1-CG2 3.75Å; L65-V127 HydrophobicContact CD1-CG2 4.01Å; F73-V127 HydrophobicContact CD1-CG1 4.07Å; F73-V127 HydrophobicContact CD1-CG2 4.01Å; F73-V127 HydrophobicContact CE1-CG1 4.21Å; F73-V127 HydrophobicContact CE1-CG2 3.46Å; F73-V127 VanDerWaalsContact CE1-CG2 3.46Å; F73-V127 HydrophobicContact CZ-CG2 4Å; F124-V127 HydrophobicContact CB-CG2 4.04Å; F124-V127 HydrophobicContact CD1-CG2 4.33Å; F124-V127 WeakPolarHBondContact O-CB 3.33Å; F124-V127 WeakPolarHBondContact O-CG2 3.28Å; F124-V127 PolarHBondContact O-N 3.47Å; Y125-V127 PolarHBondContact O-N 3.49Å; Y125-V127 VanDerWaalsContact O-N 3.12Å; V127-K130 HydrophobicContact CG1-CD 3.91Å; V127-K130 HydrophobicContact CG1-CG 4.37Å |
| 128 | Q | 81 | Confident | 91.9 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 62% | 0.621 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 144.6 | -179.6 | -81.6 | 176 | 2.2 | 0 | 0 | 113.2 | Y125 P126 | Y125-Q128 WeakPolarHBondContact O-CG 3Å; Y125-Q128 PolarHBondContact O-N 2.97Å; P126-Q128 VanDerWaalsContact C-N 3.28Å; P126-Q128 PolarHBondContact O-N 2.92Å |
| 129 | G | 78.3 | Confident | 91.9 | Very high | 84 Ų | 84 | 52 Ų | 52 | 87% | 0.866 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | -4.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 130 | K | 79.9 | Confident | 91.9 | Very high | 80 Ų | 80 | 50 Ų | 50 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 124.9 | 168.8 | -64.7 | -166.7 | -179.9 | -177.4 | 0 | 110.5 | G70 V127 P132 S133 | G70-K130 PolarHBondContact O-NZ 3.01Å; V127-K130 HydrophobicContact CG1-CD 3.91Å; V127-K130 HydrophobicContact CG1-CG 4.37Å; K130-P132 CarbonylContact O-C 3.32Å; K130-P132 VanDerWaalsContact O-C 3.32Å; K130-S133 PolarHBondContact O-N 2.65Å |
| 131 | E | 79.8 | Confident | 91.9 | Very high | 190 Ų | 190 | 51.2 Ų | 51.2 | 89% | 0.888 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -93.5 | 134.2 | 165.2 | -70.2 | -170.2 | 166.1 | 0 | 0 | 109.8 | ||
| 132 | P | 88 | Confident | 92 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | S | Bend | cis | -74.1 | 148 | -4 | 30.3 | -35.8 | 0 | 0 | 0 | 113.4 | K130 Q136 L137 | K130-P132 CarbonylContact O-C 3.32Å; K130-P132 VanDerWaalsContact O-C 3.32Å; P132-Q136 HydrophobicContact CB-CB 4.12Å; P132-Q136 HydrophobicContact CB-CG 4Å; P132-L137 HydrophobicContact CB-CD2 4.12Å; P132-L137 HydrophobicContact CB-CG 4.19Å; P132-L137 HydrophobicContact CG-CD1 4.27Å; P132-L137 HydrophobicContact CG-CD2 3.39Å; P132-L137 HydrophobicContact CG-CG 3.78Å |
| 133 | S | 92.9 | Very high | 92 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 158.3 | 179.1 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | K130 R135 Q136 L137 | K130-S133 PolarHBondContact O-N 2.65Å; S133-R135 PolarHBondContact O-N 2.94Å; S133-Q136 WeakPolarHBondContact O-CB 3.42Å; S133-Q136 PolarHBondContact O-N 3.2Å; S133-Q136 PolarHBondContact OG-N 3.29Å; S133-Q136 VanDerWaalsContact OG-N 3.15Å; S133-L137 PolarHBondContact O-N 2.7Å |
| 134 | V | 95.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 11% | 0.109 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.8 | -38.7 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | L77 L120 F124 L137 A138 | L77-V134 HydrophobicContact CD2-CB 4.49Å; L77-V134 HydrophobicContact CD2-CG1 4.37Å; L77-V134 HydrophobicContact CD2-CG2 3.91Å; L120-V134 HydrophobicContact CB-CG1 4.18Å; F124-V134 HydrophobicContact CB-CG1 4.35Å; F124-V134 HydrophobicContact CB-CG2 3.68Å; F124-V134 HydrophobicContact CD2-CG1 4.11Å; F124-V134 HydrophobicContact CG-CG2 4.44Å; V134-L137 PolarHBondContact O-N 3.22Å; V134-A138 VanDerWaalsContact O-CB 3.29Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 3.11Å |
| 135 | R | 96 | Very high | 92.2 | Very high | 84 Ų | 84 | 49.3 Ų | 49.3 | 32% | 0.317 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 175.3 | 176.2 | 174.8 | -178 | 89.9 | 2.5 | 111.9 | F113 L117 S133 L137 A138 L139 | F113-R135 VanDerWaalsContact CZ-NH2 3.3Å; L117-R135 HydrophobicContact CD1-CB 4.19Å; L117-R135 HydrophobicContact CD1-CG 4.15Å; L117-R135 HydrophobicContact CD2-CG 4.37Å; L117-R135 VanDerWaalsContact CD2-NH1 3.29Å; S133-R135 PolarHBondContact O-N 2.94Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L137 PolarHBondContact O-N 3.42Å; R135-A138 PolarHBondContact O-N 3.42Å; R135-L139 HydrophobicContact CG-CD1 3.74Å; R135-L139 HydrophobicContact CG-CG 4.44Å; R135-L139 WeakPolarHBondContact O-CB 3.29Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.4Å; R135-L139 PolarHBondContact O-N 3.46Å |
| 136 | Q | 95.1 | Very high | 92.3 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 179.1 | -173.1 | 69.3 | 2 | 0 | 0 | 110.8 | P132 S133 L139 L140 V177 H178 | P132-Q136 HydrophobicContact CB-CB 4.12Å; P132-Q136 HydrophobicContact CB-CG 4Å; S133-Q136 WeakPolarHBondContact O-CB 3.42Å; S133-Q136 PolarHBondContact O-N 3.2Å; S133-Q136 PolarHBondContact OG-N 3.29Å; S133-Q136 VanDerWaalsContact OG-N 3.15Å; Q136-L139 PolarHBondContact O-N 2.93Å; Q136-L140 HydrophobicContact CG-CD1 4.19Å; Q136-L140 WeakPolarHBondContact O-CB 3.38Å; Q136-L140 VanDerWaalsContact O-CG 3.32Å; Q136-L140 WeakPolarHBondContact O-CG 3.17Å; Q136-L140 PolarHBondContact O-N 3.34Å; Q136-V177 HydrophobicContact CG-CG1 4.4Å; Q136-V177 VanDerWaalsContact NE2-CG1 3.32Å; Q136-H178 VanDerWaalsContact NE2-N 3.14Å; Q136-H178 PolarHBondContact NE2-O 3.36Å |
| 137 | L | 95.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 178 | -70.9 | 176.8 | 0 | 0 | 0 | 112.1 | T74 L77 Q78 L82 P132 S133 V134 R135 L139 L140 H141 | T74-L137 HydrophobicContact CG2-CD1 4.19Å; L77-L137 HydrophobicContact CD2-CD1 4.03Å; Q78-L137 HydrophobicContact CG-CD1 3.92Å; Q78-L137 HydrophobicContact CG-CD2 3.63Å; Q78-L137 HydrophobicContact CG-CG 4.25Å; L82-L137 HydrophobicContact CD1-CB 3.69Å; P132-L137 HydrophobicContact CB-CD2 4.12Å; P132-L137 HydrophobicContact CB-CG 4.19Å; P132-L137 HydrophobicContact CG-CD1 4.27Å; P132-L137 HydrophobicContact CG-CD2 3.39Å; P132-L137 HydrophobicContact CG-CG 3.78Å; S133-L137 PolarHBondContact O-N 2.7Å; V134-L137 PolarHBondContact O-N 3.22Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-L137 PolarHBondContact O-N 3.42Å; L137-L139 PolarHBondContact O-N 3.12Å; L137-L140 PolarHBondContact O-N 2.92Å; L137-H141 PolarHBondContact O-CD2 3.48Å; L137-H141 PolarHBondContact O-N 3.22Å |
| 138 | A | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L82 M86 F112 L117 L120 V134 R135 H141 F142 | L82-A138 HydrophobicContact CD1-CB 4.49Å; L82-A138 HydrophobicContact CD2-CB 3.94Å; M86-A138 WeakPolarHBondContact CE-O 3.5Å; F112-A138 HydrophobicContact CE2-CB 4.41Å; F112-A138 HydrophobicContact CZ-CB 3.92Å; L117-A138 HydrophobicContact CD1-CB 3.93Å; L120-A138 HydrophobicContact CD1-CB 4.27Å; V134-A138 VanDerWaalsContact O-CB 3.29Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 3.11Å; R135-A138 PolarHBondContact O-N 3.42Å; A138-H141 PolarHBondContact O-N 3.41Å; A138-F142 PolarHBondContact O-N 3.32Å |
| 139 | L | 97.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 176.5 | -69.3 | 168.6 | 0 | 0 | 0 | 112.3 | W109 F112 F113 L117 R135 Q136 L137 H141 F142 R143 I173 L174 V177 | W109-L139 HydrophobicContact CH2-CD2 3.77Å; W109-L139 HydrophobicContact CZ3-CD2 4.09Å; F112-L139 HydrophobicContact CE1-CD2 4.06Å; F113-L139 HydrophobicContact CD2-CD2 4.42Å; L117-L139 HydrophobicContact CD2-CD2 4.2Å; L117-L139 HydrophobicContact CD2-CG 4.39Å; R135-L139 HydrophobicContact CG-CD1 3.74Å; R135-L139 HydrophobicContact CG-CG 4.44Å; R135-L139 WeakPolarHBondContact O-CB 3.29Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.4Å; R135-L139 PolarHBondContact O-N 3.46Å; Q136-L139 PolarHBondContact O-N 2.93Å; L137-L139 PolarHBondContact O-N 3.12Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.08Å; L139-F142 PolarHBondContact O-N 3.01Å; L139-R143 PolarHBondContact O-N 3.35Å; L139-I173 HydrophobicContact CD1-CG2 4.27Å; L139-I173 HydrophobicContact CD2-CG2 4.12Å; L139-L174 HydrophobicContact CB-CD2 4.12Å; L139-L174 HydrophobicContact CD2-CD2 4.06Å; L139-L174 WeakPolarHBondContact O-CD2 3.49Å; L139-V177 HydrophobicContact CB-CB 4.43Å; L139-V177 HydrophobicContact CB-CG1 3.87Å; L139-V177 HydrophobicContact CB-CG2 3.87Å; L139-V177 HydrophobicContact CD1-CG2 3.79Å; L139-V177 HydrophobicContact CG-CG2 4.44Å |
| 140 | L | 95.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 173.8 | -79 | 174.1 | 0 | 0 | 0 | 111.5 | Q136 L137 R143 N144 V177 E179 | Q136-L140 HydrophobicContact CG-CD1 4.19Å; Q136-L140 WeakPolarHBondContact O-CB 3.38Å; Q136-L140 VanDerWaalsContact O-CG 3.32Å; Q136-L140 WeakPolarHBondContact O-CG 3.17Å; Q136-L140 PolarHBondContact O-N 3.34Å; L137-L140 PolarHBondContact O-N 2.92Å; L140-R143 WeakPolarHBondContact O-CB 3.48Å; L140-R143 PolarHBondContact O-N 2.88Å; L140-N144 WeakPolarHBondContact O-CB 3.32Å; L140-N144 PolarHBondContact O-N 3.11Å; L140-V177 HydrophobicContact CB-CG1 4.4Å; L140-V177 HydrophobicContact CD2-CG1 3.61Å; L140-V177 HydrophobicContact CG-CG1 3.53Å; L140-E179 HydrophobicContact CD1-CG 4.27Å; L140-E179 HydrophobicContact CD2-CG 3.8Å |
| 141 | H | 97.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | 177.8 | -83.2 | -68.4 | 0 | 0 | 0 | 112.3 | Q78 L82 M86 L137 A138 L139 N144 I145 | Q78-H141 WeakPolarHBondContact CA-NE2 3.46Å; Q78-H141 WeakPolarHBondContact CB-NE2 3.27Å; Q78-H141 PolarHBondContact O-NE2 3.4Å; L82-H141 HydrophobicContact CB-CB 4.25Å; M86-H141 HydrophobicContact CE-CB 3.99Å; M86-H141 HydrophobicContact CG-CB 3.88Å; L137-H141 PolarHBondContact O-CD2 3.48Å; L137-H141 PolarHBondContact O-N 3.22Å; A138-H141 PolarHBondContact O-N 3.41Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.08Å; H141-N144 PolarHBondContact O-N 3.48Å; H141-I145 HydrophobicContact CB-CD1 4.31Å; H141-I145 VanDerWaalsContact O-CB 3.25Å; H141-I145 WeakPolarHBondContact O-CB 3.45Å; H141-I145 WeakPolarHBondContact O-CG1 3.4Å; H141-I145 PolarHBondContact O-N 3.07Å |
| 142 | F | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 173.4 | -168 | -76.7 | 0 | 0 | 0 | 110.6 | M86 L105 W109 F112 A138 L139 I146 T147 M170 L174 | M86-F142 HydrophobicContact CE-CB 3.89Å; M86-F142 HydrophobicContact SD-CB 4.05Å; M86-F142 HydrophobicContact SD-CD2 4.01Å; M86-F142 HydrophobicContact SD-CG 4.45Å; L105-F142 HydrophobicContact CD1-CZ 4.38Å; W109-F142 HydrophobicContact CB-CZ 4.3Å; W109-F142 HydrophobicContact CE3-CD1 4.09Å; W109-F142 HydrophobicContact CE3-CD2 4.41Å; W109-F142 AromaticContact CE3-CE1 3.76Å; W109-F142 HydrophobicContact CE3-CE1 3.76Å; W109-F142 HydrophobicContact CE3-CE2 4.08Å; W109-F142 HydrophobicContact CE3-CG 4.42Å; W109-F142 AromaticContact CE3-CZ 3.76Å; W109-F142 HydrophobicContact CE3-CZ 3.76Å; W109-F142 HydrophobicContact CZ3-CD1 4.14Å; W109-F142 HydrophobicContact CZ3-CE1 4.28Å; W109-F142 HydrophobicContact CZ3-CG 4.33Å; F112-F142 HydrophobicContact CB-CD2 4.03Å; F112-F142 HydrophobicContact CB-CE2 3.74Å; F112-F142 HydrophobicContact CD1-CB 4.48Å; F112-F142 AromaticContact CD1-CD2 3.38Å; F112-F142 HydrophobicContact CD1-CD2 3.38Å; F112-F142 AromaticContact CD1-CE2 3.81Å; F112-F142 HydrophobicContact CD1-CE2 3.81Å; F112-F142 HydrophobicContact CD1-CG 4.07Å; F112-F142 AromaticContact CD2-CD2 3.98Å; F112-F142 HydrophobicContact CD2-CD2 3.98Å; F112-F142 HydrophobicContact CE1-CB 4.02Å; F112-F142 AromaticContact CE1-CD2 3.77Å; F112-F142 HydrophobicContact CE1-CD2 3.77Å; F112-F142 HydrophobicContact CE1-CG 4.1Å; F112-F142 HydrophobicContact CE2-CD2 4.33Å; F112-F142 AromaticContact CG-CD2 3.48Å; F112-F142 HydrophobicContact CG-CD2 3.48Å; F112-F142 VanDerWaalsContact CG-CD2 3.48Å; F112-F142 AromaticContact CG-CE2 3.74Å; F112-F142 HydrophobicContact CG-CE2 3.74Å; F112-F142 HydrophobicContact CZ-CB 4.21Å; F112-F142 HydrophobicContact CZ-CD2 4.23Å; A138-F142 PolarHBondContact O-N 3.32Å; L139-F142 PolarHBondContact O-N 3.01Å; F142-I146 HydrophobicContact CD1-CB 4.41Å; F142-I146 HydrophobicContact CD2-CD1 3.77Å; F142-I146 HydrophobicContact CE1-CB 4.3Å; F142-I146 HydrophobicContact CE1-CG2 4.37Å; F142-I146 HydrophobicContact CE2-CD1 3.73Å; F142-I146 HydrophobicContact CG-CD1 4.32Å; F142-I146 HydrophobicContact CZ-CB 4.47Å; F142-I146 HydrophobicContact CZ-CD1 4.24Å; F142-I146 HydrophobicContact CZ-CG2 4.28Å; F142-I146 WeakPolarHBondContact O-CA 3.21Å; F142-I146 VanDerWaalsContact O-CB 3.27Å; F142-I146 WeakPolarHBondContact O-CB 3.28Å; F142-I146 PolarHBondContact O-N 3.19Å; F142-T147 PolarHBondContact O-N 3.48Å; F142-T147 VanDerWaalsContact O-N 3.12Å; F142-M170 HydrophobicContact CD1-SD 4.48Å; F142-M170 HydrophobicContact CE1-CG 4.28Å; F142-M170 HydrophobicContact CE1-SD 3.53Å; F142-M170 VanDerWaalsContact CE1-SD 3.53Å; F142-M170 HydrophobicContact CZ-SD 4.13Å; F142-L174 HydrophobicContact CD1-CD1 4.15Å |
| 143 | R | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -55.5 | -54.8 | 176.6 | -172.8 | -167.6 | 71.3 | -176.9 | 12.7 | 111.4 | L139 L140 T147 L148 L174 V177 E179 L190 | L139-R143 PolarHBondContact O-N 3.35Å; L140-R143 WeakPolarHBondContact O-CB 3.48Å; L140-R143 PolarHBondContact O-N 2.88Å; R143-T147 WeakPolarHBondContact O-CB 3.41Å; R143-T147 PolarHBondContact O-N 3.28Å; R143-L148 HydrophobicContact CG-CD1 4.14Å; R143-L148 HydrophobicContact CG-CG 4.31Å; R143-L148 WeakPolarHBondContact O-CB 3.25Å; R143-L148 WeakPolarHBondContact O-CG 3.34Å; R143-L148 PolarHBondContact O-N 3.11Å; R143-L174 HydrophobicContact CB-CD1 4.13Å; R143-L174 HydrophobicContact CB-CD2 4.18Å; R143-L174 HydrophobicContact CG-CD1 4.4Å; R143-V177 PolarHBondContact NH1-O 2.99Å; R143-E179 IonicContact CZ-OE1 3.49Å; R143-E179 IonicContact NH2-OE1 2.64Å; R143-E179 PolarHBondContact NH2-OE1 2.74Å; R143-E179 IonicContact NH2-OE2 3.95Å; R143-L190 HydrophobicContact CG-CD1 4.49Å; R143-L190 HydrophobicContact CG-CD2 4.19Å |
| 144 | N | 96.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 33 Ų | 33 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -75.2 | -38.8 | -170.4 | -68.1 | -5.6 | 0 | 0 | 0 | 112.9 | L140 H141 E179 | L140-N144 WeakPolarHBondContact O-CB 3.32Å; L140-N144 PolarHBondContact O-N 3.11Å; H141-N144 PolarHBondContact O-N 3.48Å; N144-E179 PolarHBondContact ND2-OE1 2.86Å |
| 145 | I | 97.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -90 | -30.3 | -174.1 | -61.3 | 173.9 | 0 | 0 | 0 | 111.7 | T83 M86 V87 R90 H141 N149 | T83-I145 HydrophobicContact CG2-CD1 4.4Å; M86-I145 HydrophobicContact CB-CB 3.88Å; M86-I145 HydrophobicContact CB-CD1 3.81Å; M86-I145 HydrophobicContact CB-CG1 4.43Å; M86-I145 HydrophobicContact CB-CG2 3.7Å; M86-I145 HydrophobicContact CG-CD1 4.21Å; V87-I145 HydrophobicContact CG2-CG2 4.29Å; R90-I145 WeakPolarHBondContact CD-O 3.49Å; H141-I145 HydrophobicContact CB-CD1 4.31Å; H141-I145 VanDerWaalsContact O-CB 3.25Å; H141-I145 WeakPolarHBondContact O-CB 3.45Å; H141-I145 WeakPolarHBondContact O-CG1 3.4Å; H141-I145 PolarHBondContact O-N 3.07Å; I145-N149 VanDerWaalsContact O-CB 3.25Å; I145-N149 WeakPolarHBondContact O-CB 3.46Å |
| 146 | I | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -109.5 | -69.6 | -175 | -49.2 | -173.2 | 0 | 0 | 0 | 110 | M86 L89 R90 I93 L105 F142 L148 N149 I150 | M86-I146 HydrophobicContact CB-CD1 4.39Å; M86-I146 HydrophobicContact CB-CG1 4.41Å; M86-I146 HydrophobicContact SD-CD1 3.88Å; L89-I146 HydrophobicContact CB-CD1 3.71Å; L89-I146 HydrophobicContact CD1-CD1 4.28Å; R90-I146 HydrophobicContact CB-CG1 4.15Å; I93-I146 HydrophobicContact CD1-CG2 3.65Å; L105-I146 HydrophobicContact CD1-CG2 4.13Å; F142-I146 HydrophobicContact CD1-CB 4.41Å; F142-I146 HydrophobicContact CD2-CD1 3.77Å; F142-I146 HydrophobicContact CE1-CB 4.3Å; F142-I146 HydrophobicContact CE1-CG2 4.37Å; F142-I146 HydrophobicContact CE2-CD1 3.73Å; F142-I146 HydrophobicContact CG-CD1 4.32Å; F142-I146 HydrophobicContact CZ-CB 4.47Å; F142-I146 HydrophobicContact CZ-CD1 4.24Å; F142-I146 HydrophobicContact CZ-CG2 4.28Å; F142-I146 WeakPolarHBondContact O-CA 3.21Å; F142-I146 VanDerWaalsContact O-CB 3.27Å; F142-I146 WeakPolarHBondContact O-CB 3.28Å; F142-I146 PolarHBondContact O-N 3.19Å; I146-L148 VanDerWaalsContact C-N 3.33Å; I146-L148 PolarHBondContact O-N 3.49Å; I146-N149 PolarHBondContact O-N 2.8Å; I146-N149 VanDerWaalsContact O-N 3.09Å; I146-I150 HydrophobicContact CG2-CD1 4.39Å; I146-I150 WeakPolarHBondContact O-CG1 3.39Å; I146-I150 WeakPolarHBondContact O-CG2 3.32Å; I146-I150 PolarHBondContact O-N 3.33Å |
| 147 | T | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -56.6 | -44.1 | -170.4 | -52.1 | 0 | 0 | 0 | 0 | 113.1 | F142 R143 L152 M170 L171 L174 L190 L193 | F142-T147 PolarHBondContact O-N 3.48Å; F142-T147 VanDerWaalsContact O-N 3.12Å; R143-T147 WeakPolarHBondContact O-CB 3.41Å; R143-T147 PolarHBondContact O-N 3.28Å; T147-L152 HydrophobicContact CG2-CD2 3.82Å; T147-M170 HydrophobicContact CG2-CE 4.3Å; T147-L171 HydrophobicContact CG2-CD2 3.85Å; T147-L174 HydrophobicContact CG2-CD1 4.25Å; T147-L174 WeakPolarHBondContact OG1-CD1 3.27Å; T147-L190 HydrophobicContact CG2-CD1 4.26Å; T147-L193 HydrophobicContact CG2-CD1 4.14Å |
| 148 | L | 96.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 35 Ų | 35 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.6 | -177.8 | -62.4 | 180 | 0 | 0 | 0 | 114.2 | R143 I146 D186 K189 L190 L193 | R143-L148 HydrophobicContact CG-CD1 4.14Å; R143-L148 HydrophobicContact CG-CG 4.31Å; R143-L148 WeakPolarHBondContact O-CB 3.25Å; R143-L148 WeakPolarHBondContact O-CG 3.34Å; R143-L148 PolarHBondContact O-N 3.11Å; I146-L148 VanDerWaalsContact C-N 3.33Å; I146-L148 PolarHBondContact O-N 3.49Å; L148-D186 HydrophobicContact CD1-CB 3.69Å; L148-D186 WeakPolarHBondContact CD1-O 3.08Å; L148-K189 HydrophobicContact CD2-CB 3.89Å; L148-L190 HydrophobicContact CD2-CB 4.33Å; L148-L193 HydrophobicContact CD2-CD1 4.06Å |
| 149 | N | 95.8 | Very high | 96.2 | Very high | 100 Ų | 100 | 41 Ų | 41 | 54% | 0.535 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 7.7 | -173.6 | -152.1 | -17.7 | 0 | 0 | 0 | 113.2 | I145 I146 | I145-N149 VanDerWaalsContact O-CB 3.25Å; I145-N149 WeakPolarHBondContact O-CB 3.46Å; I146-N149 PolarHBondContact O-N 2.8Å; I146-N149 VanDerWaalsContact O-N 3.09Å |
| 150 | I | 95.6 | Very high | 95.8 | Very high | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -112 | 164.8 | 169.9 | 66.4 | -175.5 | 0 | 0 | 0 | 109.1 | R90 I93 L101 L105 I146 L152 | R90-I150 HydrophobicContact CG-CG2 4.24Å; I93-I150 HydrophobicContact CD1-CD1 4.06Å; I93-I150 HydrophobicContact CD1-CG2 4.43Å; I93-I150 HydrophobicContact CG1-CG2 4.33Å; L101-I150 HydrophobicContact CD1-CD1 4.32Å; L105-I150 HydrophobicContact CD1-CD1 3.81Å; L105-I150 HydrophobicContact CD2-CD1 3.71Å; L105-I150 HydrophobicContact CG-CD1 4.28Å; I146-I150 HydrophobicContact CG2-CD1 4.39Å; I146-I150 WeakPolarHBondContact O-CG1 3.39Å; I146-I150 WeakPolarHBondContact O-CG2 3.32Å; I146-I150 PolarHBondContact O-N 3.33Å; I150-L152 HydrophobicContact CD1-CB 4.3Å; I150-L152 HydrophobicContact CG1-CB 3.92Å; I150-L152 PolarHBondContact O-N 3.49Å |
| 151 | K | 95.1 | Very high | 95.7 | Very high | 109 Ų | 109 | 52.6 Ų | 52.6 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 45.1 | 178.7 | -57.6 | -174.5 | -174.5 | 177.7 | 0 | 113.1 | E97 L101 D154 A155 | E97-K151 HydrophobicContact CG-CD 4.47Å; E97-K151 IonicContact OE1-NZ 2.7Å; E97-K151 PolarHBondContact OE1-NZ 3.37Å; L101-K151 HydrophobicContact CD2-CB 4.37Å; L101-K151 WeakPolarHBondContact CD2-O 3.09Å; K151-D154 HydrophobicContact CB-CB 4.36Å; K151-A155 PolarHBondContact O-N 3.45Å; K151-A155 VanDerWaalsContact O-N 3.14Å |
| 152 | L | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | -178 | -178.8 | 56.5 | 0 | 0 | 0 | 111.2 | L102 L105 T147 I150 D154 A155 L156 M170 L171 L193 | L102-L152 HydrophobicContact CD2-CD1 3.6Å; L105-L152 HydrophobicContact CD2-CD1 3.69Å; L105-L152 HydrophobicContact CD2-CD2 3.93Å; L105-L152 HydrophobicContact CD2-CG 4.36Å; T147-L152 HydrophobicContact CG2-CD2 3.82Å; I150-L152 HydrophobicContact CD1-CB 4.3Å; I150-L152 HydrophobicContact CG1-CB 3.92Å; I150-L152 PolarHBondContact O-N 3.49Å; L152-D154 PolarHBondContact O-N 3.12Å; L152-A155 PolarHBondContact O-N 2.98Å; L152-A155 VanDerWaalsContact O-N 3.17Å; L152-L156 HydrophobicContact CD1-CD1 4.08Å; L152-L156 HydrophobicContact CD1-CD2 4.37Å; L152-L156 HydrophobicContact CD1-CG 3.94Å; L152-L156 HydrophobicContact CG-CD1 3.96Å; L152-L156 HydrophobicContact CG-CG 4.27Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.4Å; L152-M170 HydrophobicContact CD2-CE 4.36Å; L152-L171 HydrophobicContact CD2-CD2 4.42Å; L152-L193 HydrophobicContact CB-CD2 4.42Å; L152-L193 HydrophobicContact CD2-CD1 4.07Å; L152-L193 HydrophobicContact CD2-CD2 4.46Å; L152-L193 HydrophobicContact CG-CD2 4.16Å |
| 153 | D | 96.6 | Very high | 95.7 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 178.1 | -164.4 | 71 | 0 | 0 | 0 | 111.9 | A155 L156 S157 L193 K196 | D153-A155 VanDerWaalsContact C-N 3.32Å; D153-A155 PolarHBondContact O-N 3.5Å; D153-L156 PolarHBondContact O-N 3.28Å; D153-S157 WeakPolarHBondContact O-CB 3.22Å; D153-S157 PolarHBondContact O-N 3.14Å; D153-S157 PolarHBondContact O-OG 3.49Å; D153-L193 HydrophobicContact CB-CD2 3.85Å; D153-K196 WeakPolarHBondContact OD1-CE 3.42Å; D153-K196 IonicContact OD1-NZ 2.66Å; D153-K196 PolarHBondContact OD1-NZ 3.46Å; D153-K196 IonicContact OD2-NZ 2.79Å; D153-K196 PolarHBondContact OD2-NZ 3.24Å |
| 154 | D | 96.3 | Very high | 95.7 | Very high | 85 Ų | 85 | 63.8 Ų | 63.8 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 176.8 | -63.8 | -26.9 | 0 | 0 | 0 | 112.2 | K151 L152 R158 | K151-D154 HydrophobicContact CB-CB 4.36Å; L152-D154 PolarHBondContact O-N 3.12Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-NE 3.15Å |
| 155 | A | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.7 | -40.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L101 L102 K151 L152 D153 A161 | L101-A155 HydrophobicContact CD2-CB 3.97Å; L102-A155 HydrophobicContact CD2-CB 3.83Å; L102-A155 HydrophobicContact CG-CB 4.1Å; K151-A155 PolarHBondContact O-N 3.45Å; K151-A155 VanDerWaalsContact O-N 3.14Å; L152-A155 PolarHBondContact O-N 2.98Å; L152-A155 VanDerWaalsContact O-N 3.17Å; D153-A155 VanDerWaalsContact C-N 3.32Å; D153-A155 PolarHBondContact O-N 3.5Å; A155-A161 WeakPolarHBondContact O-CB 3.46Å |
| 156 | L | 96.9 | Very high | 95.9 | Very high | 17 Ų | 17 | 66.6 Ų | 66.6 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71 | -29.8 | 177.7 | -67.6 | 176.8 | 0 | 0 | 0 | 112.9 | L102 L152 D153 R158 V163 L193 K196 V197 | L102-L156 HydrophobicContact CD1-CD2 4.48Å; L102-L156 HydrophobicContact CD2-CD2 3.82Å; L102-L156 HydrophobicContact CD2-CG 4.34Å; L152-L156 HydrophobicContact CD1-CD1 4.08Å; L152-L156 HydrophobicContact CD1-CD2 4.37Å; L152-L156 HydrophobicContact CD1-CG 3.94Å; L152-L156 HydrophobicContact CG-CD1 3.96Å; L152-L156 HydrophobicContact CG-CG 4.27Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.4Å; D153-L156 PolarHBondContact O-N 3.28Å; L156-R158 PolarHBondContact O-N 2.88Å; L156-V163 HydrophobicContact CD2-CG1 4.2Å; L156-V163 HydrophobicContact CD2-CG2 3.68Å; L156-L193 HydrophobicContact CD1-CB 4.5Å; L156-L193 HydrophobicContact CD1-CD2 4.07Å; L156-K196 HydrophobicContact CB-CB 4.3Å; L156-K196 HydrophobicContact CB-CD 4.04Å; L156-K196 HydrophobicContact CD1-CB 4.44Å; L156-V197 HydrophobicContact CD1-CG1 3.9Å; L156-V197 HydrophobicContact CD2-CG1 3.63Å; L156-V197 HydrophobicContact CG-CG1 4.33Å |
| 157 | S | 96.3 | Very high | 95.9 | Very high | 70 Ų | 70 | 66.6 Ų | 66.6 | 49% | 0.49 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -9.6 | -178.5 | -53.5 | 0 | 0 | 0 | 0 | 114.2 | D153 K196 | D153-S157 WeakPolarHBondContact O-CB 3.22Å; D153-S157 PolarHBondContact O-N 3.14Å; D153-S157 PolarHBondContact O-OG 3.49Å; S157-K196 PolarHBondContact OG-NZ 3.4Å |
| 158 | R | 94.6 | Very high | 95.9 | Very high | 110 Ų | 110 | 69.1 Ų | 69.1 | 42% | 0.415 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -73.3 | 131.3 | -177.9 | -68.5 | 170.6 | -166.2 | -160.7 | 2.1 | 109.9 | E97 G98 D154 L156 R160 A161 | E97-R158 IonicContact OE2-NH2 3.8Å; G98-R158 VanDerWaalsContact CA-CZ 3.45Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-NE 3.15Å; L156-R158 PolarHBondContact O-N 2.88Å; R158-R160 PolarHBondContact O-N 3.38Å; R158-A161 HydrophobicContact CB-CB 4.26Å; R158-A161 WeakPolarHBondContact O-CB 3.39Å; R158-A161 PolarHBondContact O-N 2.97Å |
| 159 | S | 88.3 | Confident | 96 | Very high | 127 Ų | 127 | 71.1 Ų | 71.1 | 89% | 0.888 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.1 | -178 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 160 | R | 89.1 | Confident | 96.1 | Very high | 233 Ų | 233 | 66.4 Ų | 66.4 | 88% | 0.879 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 12 | 177.7 | -59.7 | -176.3 | -177.8 | 176.7 | 0.6 | 113.2 | R158 R162 | R158-R160 PolarHBondContact O-N 3.38Å; R160-R162 PolarHBondContact O-N 3.38Å |
| 161 | A | 93.8 | Very high | 96.3 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | trans | -65.1 | 123.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L102 A155 R158 | L102-A161 HydrophobicContact CD1-CB 4.07Å; A155-A161 WeakPolarHBondContact O-CB 3.46Å; R158-A161 HydrophobicContact CB-CB 4.26Å; R158-A161 WeakPolarHBondContact O-CB 3.39Å; R158-A161 PolarHBondContact O-N 2.97Å | ||
| 162 | R | 96.7 | Very high | 96.4 | Very high | 203 Ų | 203 | 63.7 Ų | 63.7 | 77% | 0.766 | 33% | 0.326 | S | S | * | . | trans | -100.3 | 102.8 | 169.6 | -178.4 | 179.4 | 177.8 | 161.5 | -0.6 | 107.7 | Q99 R160 P164 | Q99-R162 PolarHBondContact NE2-O 3.46Å; Q99-R162 PolarHBondContact OE1-O 2.84Å; R160-R162 PolarHBondContact O-N 3.38Å; R162-P164 WeakPolarHBondContact O-CD 3.44Å | ||
| 163 | V | 97.7 | Very high | 96.4 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 24% | 0.242 | 34% | 0.336 | C | S | . | . | trans | -73.7 | 118.6 | -179.3 | -172 | 0 | 0 | 0 | 0 | 109.5 | L156 I167 I168 V197 | L156-V163 HydrophobicContact CD2-CG1 4.2Å; L156-V163 HydrophobicContact CD2-CG2 3.68Å; V163-I167 HydrophobicContact CG1-CB 3.96Å; V163-I167 HydrophobicContact CG1-CG2 4.01Å; V163-I168 HydrophobicContact CG1-CD1 4.46Å; V163-I168 HydrophobicContact CG1-CG1 3.87Å; V163-V197 HydrophobicContact CB-CG1 4.5Å; V163-V197 HydrophobicContact CG1-CB 4.35Å; V163-V197 HydrophobicContact CG1-CG1 3.89Å; V163-V197 HydrophobicContact CG2-CG1 3.99Å | ||
| 164 | P | 98.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | trans | -63.7 | 143.4 | 173.5 | -22.1 | 34.9 | 0 | 0 | 0 | 111.5 | L102 A106 R162 S166 I167 | L102-P164 HydrophobicContact CB-CG 4.36Å; A106-P164 HydrophobicContact CB-CB 3.73Å; A106-P164 HydrophobicContact CB-CG 3.97Å; R162-P164 WeakPolarHBondContact O-CD 3.44Å; P164-S166 PolarHBondContact O-N 3.1Å; P164-I167 HydrophobicContact CB-CG1 4.37Å; P164-I167 HydrophobicContact CG-CD1 4.2Å; P164-I167 HydrophobicContact CG-CG1 4.34Å; P164-I167 WeakPolarHBondContact O-CB 3.32Å; P164-I167 PolarHBondContact O-N 2.9Å | ||
| 165 | P | 98.2 | Very high | 96.4 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -54.8 | -35.7 | 178.3 | -27 | 35.1 | 0 | 0 | 0 | 113.7 | I167 I168 Q169 | P165-I167 VanDerWaalsContact C-N 3.26Å; P165-I167 PolarHBondContact O-N 3.41Å; P165-I168 WeakPolarHBondContact O-CB 3.32Å; P165-I168 PolarHBondContact O-N 3.4Å; P165-I168 VanDerWaalsContact O-N 3.1Å; P165-Q169 PolarHBondContact O-N 3.33Å |
| 166 | S | 98.4 | Very high | 96.1 | Very high | 25 Ų | 25 | 64 Ų | 64 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.7 | -34.3 | 176.2 | -49.7 | 0 | 0 | 0 | 0 | 112.6 | D110 P164 M170 | D110-S166 VanDerWaalsContact OD1-CB 3.23Å; D110-S166 WeakPolarHBondContact OD1-CB 3.43Å; D110-S166 PolarHBondContact OD1-OG 3.34Å; D110-S166 VanDerWaalsContact OD1-OG 3.08Å; D110-S166 PolarHBondContact OD2-OG 2.94Å; P164-S166 PolarHBondContact O-N 3.1Å; S166-M170 WeakPolarHBondContact O-CB 3.46Å; S166-M170 PolarHBondContact O-N 2.94Å |
| 167 | I | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 175.2 | -61.9 | -169.8 | 0 | 0 | 0 | 111 | L102 L105 A106 V163 P164 P165 Q169 M170 L171 | L102-I167 HydrophobicContact CB-CD1 3.75Å; L102-I167 HydrophobicContact CD2-CD1 3.65Å; L102-I167 HydrophobicContact CG-CD1 4.27Å; L102-I167 WeakPolarHBondContact O-CD1 3.39Å; L105-I167 HydrophobicContact CD2-CD1 4.27Å; A106-I167 HydrophobicContact CB-CG1 4.16Å; V163-I167 HydrophobicContact CG1-CB 3.96Å; V163-I167 HydrophobicContact CG1-CG2 4.01Å; P164-I167 HydrophobicContact CB-CG1 4.37Å; P164-I167 HydrophobicContact CG-CD1 4.2Å; P164-I167 HydrophobicContact CG-CG1 4.34Å; P164-I167 WeakPolarHBondContact O-CB 3.32Å; P164-I167 PolarHBondContact O-N 2.9Å; P165-I167 VanDerWaalsContact C-N 3.26Å; P165-I167 PolarHBondContact O-N 3.41Å; I167-Q169 VanDerWaalsContact C-N 3.34Å; I167-M170 HydrophobicContact CG2-CE 3.99Å; I167-M170 WeakPolarHBondContact O-CB 3.46Å; I167-M170 PolarHBondContact O-N 2.88Å; I167-L171 HydrophobicContact CG2-CD1 3.88Å; I167-L171 HydrophobicContact CG2-CG 4.29Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 WeakPolarHBondContact O-CG 3.44Å; I167-L171 PolarHBondContact O-N 3.48Å |
| 168 | I | 98 | Very high | 95.6 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 28% | 0.277 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 178.1 | -55.2 | 176.9 | 0 | 0 | 0 | 109.1 | V163 P165 M170 L171 L172 V197 V198 | V163-I168 HydrophobicContact CG1-CD1 4.46Å; V163-I168 HydrophobicContact CG1-CG1 3.87Å; P165-I168 WeakPolarHBondContact O-CB 3.32Å; P165-I168 PolarHBondContact O-N 3.4Å; P165-I168 VanDerWaalsContact O-N 3.1Å; I168-M170 PolarHBondContact O-N 3.22Å; I168-L171 PolarHBondContact O-N 3.24Å; I168-L172 HydrophobicContact CG2-CD1 4.05Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 WeakPolarHBondContact O-CG 3.23Å; I168-L172 PolarHBondContact O-N 2.9Å; I168-V197 HydrophobicContact CG1-CB 4.34Å; I168-V197 HydrophobicContact CG1-CG2 4.48Å; I168-V198 HydrophobicContact CG2-CG2 3.99Å |
| 169 | Q | 98.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 175.9 | -168.9 | -149.3 | 26 | 0 | 0 | 111.5 | P165 I167 L172 I173 | P165-Q169 PolarHBondContact O-N 3.33Å; I167-Q169 VanDerWaalsContact C-N 3.34Å; Q169-L172 PolarHBondContact O-N 3.49Å; Q169-I173 HydrophobicContact CG-CD1 3.75Å; Q169-I173 WeakPolarHBondContact O-CB 3.44Å; Q169-I173 VanDerWaalsContact O-CG1 3.28Å; Q169-I173 WeakPolarHBondContact O-CG1 3.33Å; Q169-I173 PolarHBondContact O-N 3.28Å |
| 170 | M | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.5 | -56.1 | 175.8 | 174.8 | -173.1 | 75 | 0 | 0 | 111.5 | L105 W109 F142 T147 L152 S166 I167 I168 L172 I173 L174 | L105-M170 HydrophobicContact CD1-SD 4.31Å; L105-M170 HydrophobicContact CD2-CE 3.91Å; L105-M170 HydrophobicContact CG-CE 4.31Å; L105-M170 HydrophobicContact CG-SD 4.36Å; W109-M170 HydrophobicContact CB-SD 4.01Å; W109-M170 HydrophobicContact CD2-CB 3.48Å; W109-M170 VanDerWaalsContact CD2-CB 3.48Å; W109-M170 HydrophobicContact CD2-CG 3.47Å; W109-M170 VanDerWaalsContact CD2-CG 3.47Å; W109-M170 HydrophobicContact CD2-SD 4.07Å; W109-M170 HydrophobicContact CE3-CB 4.03Å; W109-M170 HydrophobicContact CE3-CG 3.47Å; W109-M170 VanDerWaalsContact CE3-CG 3.47Å; W109-M170 HydrophobicContact CE3-SD 4.01Å; W109-M170 HydrophobicContact CG-CB 3.68Å; W109-M170 HydrophobicContact CG-CG 3.94Å; W109-M170 HydrophobicContact CG-SD 4.08Å; W109-M170 HydrophobicContact CH2-CB 4.47Å; W109-M170 HydrophobicContact CH2-CG 4.22Å; W109-M170 HydrophobicContact CZ2-CB 4.04Å; W109-M170 HydrophobicContact CZ2-CG 4.28Å; W109-M170 HydrophobicContact CZ3-CB 4.48Å; W109-M170 HydrophobicContact CZ3-CG 3.85Å; F142-M170 HydrophobicContact CD1-SD 4.48Å; F142-M170 HydrophobicContact CE1-CG 4.28Å; F142-M170 HydrophobicContact CE1-SD 3.53Å; F142-M170 VanDerWaalsContact CE1-SD 3.53Å; F142-M170 HydrophobicContact CZ-SD 4.13Å; T147-M170 HydrophobicContact CG2-CE 4.3Å; L152-M170 HydrophobicContact CD2-CE 4.36Å; S166-M170 WeakPolarHBondContact O-CB 3.46Å; S166-M170 PolarHBondContact O-N 2.94Å; I167-M170 HydrophobicContact CG2-CE 3.99Å; I167-M170 WeakPolarHBondContact O-CB 3.46Å; I167-M170 PolarHBondContact O-N 2.88Å; I168-M170 PolarHBondContact O-N 3.22Å; M170-L172 VanDerWaalsContact C-N 3.31Å; M170-L172 PolarHBondContact O-N 3.03Å; M170-I173 PolarHBondContact O-N 3.46Å; M170-I173 VanDerWaalsContact O-N 3.13Å; M170-L174 HydrophobicContact CG-CD1 3.85Å; M170-L174 HydrophobicContact CG-CG 4.32Å; M170-L174 VanDerWaalsContact O-CG 3.28Å; M170-L174 WeakPolarHBondContact O-CG 3.37Å; M170-L174 PolarHBondContact O-N 3Å |
| 171 | L | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -40.1 | -175.8 | -72.2 | 173.2 | 0 | 0 | 0 | 111.7 | T147 L152 I167 I168 L174 Q175 L190 L193 I194 V197 | T147-L171 HydrophobicContact CG2-CD2 3.85Å; L152-L171 HydrophobicContact CD2-CD2 4.42Å; I167-L171 HydrophobicContact CG2-CD1 3.88Å; I167-L171 HydrophobicContact CG2-CG 4.29Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 WeakPolarHBondContact O-CG 3.44Å; I167-L171 PolarHBondContact O-N 3.48Å; I168-L171 PolarHBondContact O-N 3.24Å; L171-L174 PolarHBondContact O-N 3.5Å; L171-Q175 WeakPolarHBondContact O-CB 3.4Å; L171-Q175 PolarHBondContact O-N 3.01Å; L171-L190 HydrophobicContact CD2-CD1 3.63Å; L171-L193 HydrophobicContact CD1-CB 4.48Å; L171-L193 HydrophobicContact CD2-CB 4.17Å; L171-I194 HydrophobicContact CB-CG1 3.87Å; L171-V197 HydrophobicContact CD1-CG1 4.44Å; L171-V197 HydrophobicContact CD1-CG2 3.68Å |
| 172 | L | 97.2 | Very high | 93.5 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 174.8 | -70.8 | 176.1 | 0 | 0 | 0 | 113 | I168 Q169 M170 Q175 I194 V198 | I168-L172 HydrophobicContact CG2-CD1 4.05Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 WeakPolarHBondContact O-CG 3.23Å; I168-L172 PolarHBondContact O-N 2.9Å; Q169-L172 PolarHBondContact O-N 3.49Å; M170-L172 VanDerWaalsContact C-N 3.31Å; M170-L172 PolarHBondContact O-N 3.03Å; L172-Q175 WeakPolarHBondContact O-CB 3.44Å; L172-I194 HydrophobicContact CD2-CG2 4.31Å; L172-V198 HydrophobicContact CD1-CG2 4.45Å; L172-V198 HydrophobicContact CD2-CG2 4.15Å; L172-V198 HydrophobicContact CG-CG2 4.4Å |
| 173 | I | 97.8 | Very high | 93 | Very high | 41 Ų | 41 | 54.2 Ų | 54.2 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.3 | -45.5 | 175.1 | -73.3 | 165.9 | 0 | 0 | 0 | 110.4 | W109 F113 L139 Q169 M170 Q175 G176 V177 | W109-I173 HydrophobicContact CH2-CB 4.38Å; W109-I173 HydrophobicContact CH2-CG2 4.05Å; W109-I173 HydrophobicContact CZ2-CB 4.3Å; W109-I173 HydrophobicContact CZ2-CD1 3.81Å; W109-I173 HydrophobicContact CZ2-CG2 4.32Å; F113-I173 HydrophobicContact CE1-CD1 4.32Å; F113-I173 HydrophobicContact CE2-CD1 3.83Å; F113-I173 HydrophobicContact CE2-CG2 4.09Å; F113-I173 HydrophobicContact CZ-CD1 3.69Å; L139-I173 HydrophobicContact CD1-CG2 4.27Å; L139-I173 HydrophobicContact CD2-CG2 4.12Å; Q169-I173 HydrophobicContact CG-CD1 3.75Å; Q169-I173 WeakPolarHBondContact O-CB 3.44Å; Q169-I173 VanDerWaalsContact O-CG1 3.28Å; Q169-I173 WeakPolarHBondContact O-CG1 3.33Å; Q169-I173 PolarHBondContact O-N 3.28Å; M170-I173 PolarHBondContact O-N 3.46Å; M170-I173 VanDerWaalsContact O-N 3.13Å; I173-Q175 PolarHBondContact O-N 3.35Å; I173-G176 PolarHBondContact O-N 2.94Å; I173-V177 WeakPolarHBondContact O-CG2 3.32Å |
| 174 | L | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.5 | -26.8 | 179.5 | -65.5 | 179.9 | 0 | 0 | 0 | 112.3 | W109 L139 F142 R143 T147 M170 L171 G176 V177 L190 | W109-L174 HydrophobicContact CZ3-CD2 4.4Å; L139-L174 HydrophobicContact CB-CD2 4.12Å; L139-L174 HydrophobicContact CD2-CD2 4.06Å; L139-L174 WeakPolarHBondContact O-CD2 3.49Å; F142-L174 HydrophobicContact CD1-CD1 4.15Å; R143-L174 HydrophobicContact CB-CD1 4.13Å; R143-L174 HydrophobicContact CB-CD2 4.18Å; R143-L174 HydrophobicContact CG-CD1 4.4Å; T147-L174 HydrophobicContact CG2-CD1 4.25Å; T147-L174 WeakPolarHBondContact OG1-CD1 3.27Å; M170-L174 HydrophobicContact CG-CD1 3.85Å; M170-L174 HydrophobicContact CG-CG 4.32Å; M170-L174 VanDerWaalsContact O-CG 3.28Å; M170-L174 WeakPolarHBondContact O-CG 3.37Å; M170-L174 PolarHBondContact O-N 3Å; L171-L174 PolarHBondContact O-N 3.5Å; L174-G176 VanDerWaalsContact C-N 3.28Å; L174-G176 PolarHBondContact O-N 3.34Å; L174-V177 WeakPolarHBondContact O-CB 3.44Å; L174-V177 PolarHBondContact O-N 2.95Å; L174-V177 VanDerWaalsContact O-N 3.12Å; L174-L190 HydrophobicContact CB-CD1 4.31Å; L174-L190 HydrophobicContact CB-CD2 3.9Å; L174-L190 WeakPolarHBondContact O-CD2 3.38Å |
| 175 | Q | 94.9 | Very high | 92.3 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.1 | -37 | 174.8 | -173.8 | -116.3 | -34.2 | 0 | 0 | 112.5 | L171 L172 I173 V177 H178 Y187 I194 | L171-Q175 WeakPolarHBondContact O-CB 3.4Å; L171-Q175 PolarHBondContact O-N 3.01Å; L172-Q175 WeakPolarHBondContact O-CB 3.44Å; I173-Q175 PolarHBondContact O-N 3.35Å; Q175-V177 PolarHBondContact O-N 2.81Å; Q175-H178 PolarHBondContact O-CE1 3.41Å; Q175-H178 PolarHBondContact O-NE2 3.32Å; Q175-Y187 WeakPolarHBondContact O-CE2 3.41Å; Q175-I194 HydrophobicContact CB-CD1 3.66Å; Q175-I194 HydrophobicContact CG-CD1 3.8Å |
| 176 | G | 92.3 | Very high | 92 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I173 L174 | I173-G176 PolarHBondContact O-N 2.94Å; L174-G176 VanDerWaalsContact C-N 3.28Å; L174-G176 PolarHBondContact O-N 3.34Å |
| 177 | V | 92.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | trans | -107.9 | 100 | -170.6 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | Q136 L139 L140 R143 I173 L174 Q175 | Q136-V177 HydrophobicContact CG-CG1 4.4Å; Q136-V177 VanDerWaalsContact NE2-CG1 3.32Å; L139-V177 HydrophobicContact CB-CB 4.43Å; L139-V177 HydrophobicContact CB-CG1 3.87Å; L139-V177 HydrophobicContact CB-CG2 3.87Å; L139-V177 HydrophobicContact CD1-CG2 3.79Å; L139-V177 HydrophobicContact CG-CG2 4.44Å; L140-V177 HydrophobicContact CB-CG1 4.4Å; L140-V177 HydrophobicContact CD2-CG1 3.61Å; L140-V177 HydrophobicContact CG-CG1 3.53Å; R143-V177 PolarHBondContact NH1-O 2.99Å; I173-V177 WeakPolarHBondContact O-CG2 3.32Å; L174-V177 WeakPolarHBondContact O-CB 3.44Å; L174-V177 PolarHBondContact O-N 2.95Å; L174-V177 VanDerWaalsContact O-N 3.12Å; Q175-V177 PolarHBondContact O-N 2.81Å | ||
| 178 | H | 88.4 | Confident | 91.5 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | trans | -104.5 | 154.4 | -178.4 | -54.5 | -72.9 | 0 | 0 | 0 | 113.9 | Q136 Q175 Y187 | Q136-H178 VanDerWaalsContact NE2-N 3.14Å; Q136-H178 PolarHBondContact NE2-O 3.36Å; Q175-H178 PolarHBondContact O-CE1 3.41Å; Q175-H178 PolarHBondContact O-NE2 3.32Å; H178-Y187 AromaticContact CE1-CE2 3.28Å; H178-Y187 WeakPolarHBondContact CE1-CE2 3.18Å; H178-Y187 AromaticContact CE1-CZ 3.46Å; H178-Y187 VanDerWaalsContact CE1-CZ 3.46Å; H178-Y187 PolarHBondContact CE1-OH 3.48Å; H178-Y187 AromaticContact ND1-CD2 3.78Å; H178-Y187 AromaticContact ND1-CE2 3.38Å; H178-Y187 WeakPolarHBondContact ND1-CE2 3.39Å; H178-Y187 AromaticContact ND1-CZ 3.89Å | ||
| 179 | E | 85.6 | Confident | 91.3 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | trans | -86.2 | 155.5 | 168.8 | -65.6 | 156.5 | 164 | 0 | 0 | 109.6 | L140 R143 N144 K181 G182 T184 | L140-E179 HydrophobicContact CD1-CG 4.27Å; L140-E179 HydrophobicContact CD2-CG 3.8Å; R143-E179 IonicContact CZ-OE1 3.49Å; R143-E179 IonicContact NH2-OE1 2.64Å; R143-E179 PolarHBondContact NH2-OE1 2.74Å; R143-E179 IonicContact NH2-OE2 3.95Å; N144-E179 PolarHBondContact ND2-OE1 2.86Å; E179-K181 PolarHBondContact O-N 3.49Å; E179-K181 VanDerWaalsContact O-N 3.1Å; E179-G182 PolarHBondContact O-N 2.95Å; E179-T184 VanDerWaalsContact OE2-CG2 3.23Å; E179-T184 WeakPolarHBondContact OE2-CG2 3.44Å; E179-T184 PolarHBondContact OE2-OG1 3.35Å | ||
| 180 | S | 79.3 | Confident | 91.2 | Very high | 127 Ų | 127 | 56.5 Ų | 56.5 | 89% | 0.888 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.9 | 179.1 | 53 | 0 | 0 | 0 | 0 | 114.2 | G182 | S180-G182 VanDerWaalsContact C-N 3.33Å; S180-G182 PolarHBondContact O-N 3.43Å |
| 181 | K | 79.1 | Confident | 91 | Very high | 189 Ų | 189 | 56.9 Ų | 56.9 | 82% | 0.822 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4 | -176.7 | -62.9 | -178.9 | -178.6 | 176.5 | 0 | 114.1 | E179 | E179-K181 PolarHBondContact O-N 3.49Å; E179-K181 VanDerWaalsContact O-N 3.1Å |
| 182 | G | 78.8 | Confident | 90.8 | Very high | 43 Ų | 43 | 59.1 Ų | 59.1 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | trans | 85.8 | -153.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E179 S180 T184 | E179-G182 PolarHBondContact O-N 2.95Å; S180-G182 VanDerWaalsContact C-N 3.33Å; S180-G182 PolarHBondContact O-N 3.43Å; G182-T184 PolarHBondContact O-N 3.38Å | ||
| 183 | V | 85.9 | Confident | 90.8 | Very high | 83 Ų | 83 | 56.1 Ų | 56.1 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -71.4 | 117.2 | -178.3 | -180 | 0 | 0 | 0 | 0 | 109.8 | Y187 L188 T204 | V183-Y187 HydrophobicContact CG1-CD1 4.22Å; V183-L188 HydrophobicContact CG1-CD2 3.89Å; V183-L188 HydrophobicContact CG1-CG 4.1Å; V183-T204 HydrophobicContact CG1-CG2 4.27Å; V183-T204 HydrophobicContact CG2-CG2 4.05Å |
| 184 | T | 90.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 20% | 0.202 | 30% | 0.304 | C | S | . | . | trans | -107.9 | 161.4 | 179.2 | 55 | 0 | 0 | 0 | 0 | 111.7 | E179 G182 D186 Y187 L188 | E179-T184 VanDerWaalsContact OE2-CG2 3.23Å; E179-T184 WeakPolarHBondContact OE2-CG2 3.44Å; E179-T184 PolarHBondContact OE2-OG1 3.35Å; G182-T184 PolarHBondContact O-N 3.38Å; T184-D186 PolarHBondContact O-N 3.43Å; T184-Y187 WeakPolarHBondContact O-CB 3.49Å; T184-Y187 PolarHBondContact O-N 3.49Å; T184-Y187 VanDerWaalsContact O-N 3.11Å; T184-Y187 PolarHBondContact OG1-N 3.2Å; T184-L188 PolarHBondContact O-N 3.47Å; T184-L188 VanDerWaalsContact O-N 3.08Å | ||
| 185 | E | 90.7 | Very high | 90.6 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.9 | -39.6 | 175.2 | -169.2 | -168.8 | 141.4 | 0 | 0 | 111.5 | Y187 L188 K189 | E185-Y187 VanDerWaalsContact C-N 3.3Å; E185-Y187 PolarHBondContact O-N 3.34Å; E185-L188 WeakPolarHBondContact O-CB 3.43Å; E185-L188 PolarHBondContact O-N 3.38Å; E185-L188 VanDerWaalsContact O-N 3.12Å; E185-K189 WeakPolarHBondContact O-CG 3.47Å; E185-K189 PolarHBondContact O-N 2.96Å; E185-K189 WeakPolarHBondContact OE1-CE 3.29Å; E185-K189 IonicContact OE1-NZ 3.57Å; E185-K189 PolarHBondContact OE1-NZ 3.34Å |
| 186 | D | 92.2 | Very high | 90.5 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 33% | 0.326 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 176.6 | -70.8 | -13 | 0 | 0 | 0 | 112.2 | L148 T184 K189 L190 | L148-D186 HydrophobicContact CD1-CB 3.69Å; L148-D186 WeakPolarHBondContact CD1-O 3.08Å; T184-D186 PolarHBondContact O-N 3.43Å; D186-K189 PolarHBondContact O-N 3.31Å; D186-K189 IonicContact OD1-NZ 2.8Å; D186-K189 PolarHBondContact OD1-NZ 2.96Å; D186-L190 PolarHBondContact O-N 3.04Å |
| 187 | Y | 93.1 | Very high | 90.6 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 172 | -178.2 | -94.5 | 0 | 0 | 0 | 111.8 | Q175 H178 V183 T184 E185 K189 L190 E191 T204 | Q175-Y187 WeakPolarHBondContact O-CE2 3.41Å; H178-Y187 AromaticContact CE1-CE2 3.28Å; H178-Y187 WeakPolarHBondContact CE1-CE2 3.18Å; H178-Y187 AromaticContact CE1-CZ 3.46Å; H178-Y187 VanDerWaalsContact CE1-CZ 3.46Å; H178-Y187 PolarHBondContact CE1-OH 3.48Å; H178-Y187 AromaticContact ND1-CD2 3.78Å; H178-Y187 AromaticContact ND1-CE2 3.38Å; H178-Y187 WeakPolarHBondContact ND1-CE2 3.39Å; H178-Y187 AromaticContact ND1-CZ 3.89Å; V183-Y187 HydrophobicContact CG1-CD1 4.22Å; T184-Y187 WeakPolarHBondContact O-CB 3.49Å; T184-Y187 PolarHBondContact O-N 3.49Å; T184-Y187 VanDerWaalsContact O-N 3.11Å; T184-Y187 PolarHBondContact OG1-N 3.2Å; E185-Y187 VanDerWaalsContact C-N 3.3Å; E185-Y187 PolarHBondContact O-N 3.34Å; Y187-K189 VanDerWaalsContact C-N 3.33Å; Y187-K189 PolarHBondContact O-N 3.05Å; Y187-L190 WeakPolarHBondContact O-CB 3.25Å; Y187-L190 PolarHBondContact O-N 3.33Å; Y187-L190 VanDerWaalsContact O-N 3.11Å; Y187-E191 HydrophobicContact CD1-CG 4.19Å; Y187-E191 HydrophobicContact CE1-CG 3.71Å; Y187-E191 PolarHBondContact O-N 2.97Å; Y187-T204 WeakPolarHBondContact CE1-OG1 3.34Å |
| 188 | L | 92.6 | Very high | 90.7 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.5 | -35.7 | 176 | -62.8 | 175.8 | 0 | 0 | 0 | 112.5 | V183 T184 E185 L190 E191 S192 Y205 | V183-L188 HydrophobicContact CG1-CD2 3.89Å; V183-L188 HydrophobicContact CG1-CG 4.1Å; T184-L188 PolarHBondContact O-N 3.47Å; T184-L188 VanDerWaalsContact O-N 3.08Å; E185-L188 WeakPolarHBondContact O-CB 3.43Å; E185-L188 PolarHBondContact O-N 3.38Å; E185-L188 VanDerWaalsContact O-N 3.12Å; L188-L190 VanDerWaalsContact C-N 3.3Å; L188-L190 PolarHBondContact O-N 3.31Å; L188-E191 PolarHBondContact O-N 3.43Å; L188-S192 PolarHBondContact O-N 3.16Å; L188-Y205 HydrophobicContact CD1-CE2 3.75Å; L188-Y205 HydrophobicContact CD2-CD2 4.04Å; L188-Y205 HydrophobicContact CD2-CE2 3.51Å; L188-Y205 HydrophobicContact CG-CE2 4.29Å |
| 189 | K | 94.5 | Very high | 90.7 | Very high | 85 Ų | 85 | 59.7 Ų | 59.7 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 170.8 | -69.9 | 171.4 | -173.5 | 154.1 | 0 | 111.8 | L148 E185 D186 Y187 S192 L193 | L148-K189 HydrophobicContact CD2-CB 3.89Å; E185-K189 WeakPolarHBondContact O-CG 3.47Å; E185-K189 PolarHBondContact O-N 2.96Å; E185-K189 WeakPolarHBondContact OE1-CE 3.29Å; E185-K189 IonicContact OE1-NZ 3.57Å; E185-K189 PolarHBondContact OE1-NZ 3.34Å; D186-K189 PolarHBondContact O-N 3.31Å; D186-K189 IonicContact OD1-NZ 2.8Å; D186-K189 PolarHBondContact OD1-NZ 2.96Å; Y187-K189 VanDerWaalsContact C-N 3.33Å; Y187-K189 PolarHBondContact O-N 3.05Å; K189-S192 PolarHBondContact O-N 3.42Å; K189-S192 PolarHBondContact O-OG 3.43Å; K189-L193 WeakPolarHBondContact O-CG 3.45Å; K189-L193 PolarHBondContact O-N 3.05Å |
| 190 | L | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64 | -44 | 172.1 | 178.2 | 68.1 | 0 | 0 | 0 | 111 | R143 T147 L148 L171 L174 D186 Y187 L188 S192 L193 I194 | R143-L190 HydrophobicContact CG-CD1 4.49Å; R143-L190 HydrophobicContact CG-CD2 4.19Å; T147-L190 HydrophobicContact CG2-CD1 4.26Å; L148-L190 HydrophobicContact CD2-CB 4.33Å; L171-L190 HydrophobicContact CD2-CD1 3.63Å; L174-L190 HydrophobicContact CB-CD1 4.31Å; L174-L190 HydrophobicContact CB-CD2 3.9Å; L174-L190 WeakPolarHBondContact O-CD2 3.38Å; D186-L190 PolarHBondContact O-N 3.04Å; Y187-L190 WeakPolarHBondContact O-CB 3.25Å; Y187-L190 PolarHBondContact O-N 3.33Å; Y187-L190 VanDerWaalsContact O-N 3.11Å; L188-L190 VanDerWaalsContact C-N 3.3Å; L188-L190 PolarHBondContact O-N 3.31Å; L190-S192 VanDerWaalsContact C-N 3.32Å; L190-S192 PolarHBondContact O-N 3.42Å; L190-L193 WeakPolarHBondContact O-CB 3.31Å; L190-L193 PolarHBondContact O-N 3.34Å; L190-L193 VanDerWaalsContact O-N 3.12Å; L190-I194 HydrophobicContact CD2-CD1 4.48Å; L190-I194 HydrophobicContact CG-CD1 3.98Å; L190-I194 WeakPolarHBondContact O-CG1 3.26Å; L190-I194 PolarHBondContact O-N 3.14Å |
| 191 | E | 94.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 177.7 | -64.4 | -156.4 | 114.4 | 0 | 0 | 112.8 | Y187 L188 L193 I194 Q195 Y201 G203 T204 | Y187-E191 HydrophobicContact CD1-CG 4.19Å; Y187-E191 HydrophobicContact CE1-CG 3.71Å; Y187-E191 PolarHBondContact O-N 2.97Å; L188-E191 PolarHBondContact O-N 3.43Å; E191-L193 VanDerWaalsContact C-N 3.27Å; E191-L193 PolarHBondContact O-N 2.98Å; E191-I194 PolarHBondContact O-N 3.23Å; E191-Q195 VanDerWaalsContact O-CG 3.29Å; E191-Q195 WeakPolarHBondContact O-CG 3.43Å; E191-Q195 PolarHBondContact O-N 3.15Å; E191-Q195 VanDerWaalsContact O-N 3.08Å; E191-Q195 PolarHBondContact O-NE2 3.49Å; E191-Y201 HydrophobicContact CB-CE1 4.16Å; E191-Y201 HydrophobicContact CG-CE1 4.39Å; E191-Y201 PolarHBondContact OE1-OH 2.98Å; E191-G203 WeakPolarHBondContact OE1-CA 3.39Å; E191-T204 PolarHBondContact OE1-N 3.23Å; E191-T204 PolarHBondContact OE1-OG1 3.49Å; E191-T204 WeakPolarHBondContact OE2-CB 3.4Å; E191-T204 PolarHBondContact OE2-N 3.39Å; E191-T204 PolarHBondContact OE2-OG1 3.2Å |
| 192 | S | 94.1 | Very high | 91.9 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -32.9 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | L188 K189 L190 | L188-S192 PolarHBondContact O-N 3.16Å; K189-S192 PolarHBondContact O-N 3.42Å; K189-S192 PolarHBondContact O-OG 3.43Å; L190-S192 VanDerWaalsContact C-N 3.32Å; L190-S192 PolarHBondContact O-N 3.42Å |
| 193 | L | 96.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 174.1 | -65.7 | 169.3 | 0 | 0 | 0 | 111.7 | T147 L148 L152 D153 L156 L171 K189 L190 E191 Q195 K196 | T147-L193 HydrophobicContact CG2-CD1 4.14Å; L148-L193 HydrophobicContact CD2-CD1 4.06Å; L152-L193 HydrophobicContact CB-CD2 4.42Å; L152-L193 HydrophobicContact CD2-CD1 4.07Å; L152-L193 HydrophobicContact CD2-CD2 4.46Å; L152-L193 HydrophobicContact CG-CD2 4.16Å; D153-L193 HydrophobicContact CB-CD2 3.85Å; L156-L193 HydrophobicContact CD1-CB 4.5Å; L156-L193 HydrophobicContact CD1-CD2 4.07Å; L171-L193 HydrophobicContact CD1-CB 4.48Å; L171-L193 HydrophobicContact CD2-CB 4.17Å; K189-L193 WeakPolarHBondContact O-CG 3.45Å; K189-L193 PolarHBondContact O-N 3.05Å; L190-L193 WeakPolarHBondContact O-CB 3.31Å; L190-L193 PolarHBondContact O-N 3.34Å; L190-L193 VanDerWaalsContact O-N 3.12Å; E191-L193 VanDerWaalsContact C-N 3.27Å; E191-L193 PolarHBondContact O-N 2.98Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 2.7Å; L193-K196 PolarHBondContact O-N 3.29Å |
| 194 | I | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 179.6 | -63.3 | 158.9 | 0 | 0 | 0 | 111 | L171 L172 Q175 L190 E191 K196 V197 V198 Y201 | L171-I194 HydrophobicContact CB-CG1 3.87Å; L172-I194 HydrophobicContact CD2-CG2 4.31Å; Q175-I194 HydrophobicContact CB-CD1 3.66Å; Q175-I194 HydrophobicContact CG-CD1 3.8Å; L190-I194 HydrophobicContact CD2-CD1 4.48Å; L190-I194 HydrophobicContact CG-CD1 3.98Å; L190-I194 WeakPolarHBondContact O-CG1 3.26Å; L190-I194 PolarHBondContact O-N 3.14Å; E191-I194 PolarHBondContact O-N 3.23Å; I194-K196 PolarHBondContact O-N 3Å; I194-K196 VanDerWaalsContact O-N 3.16Å; I194-V197 WeakPolarHBondContact O-CG2 3.43Å; I194-V197 PolarHBondContact O-N 2.98Å; I194-V198 HydrophobicContact CG2-CB 4.19Å; I194-V198 HydrophobicContact CG2-CG2 4.17Å; I194-V198 PolarHBondContact O-N 3.07Å; I194-Y201 HydrophobicContact CB-CD2 4.33Å; I194-Y201 HydrophobicContact CB-CE2 4.09Å; I194-Y201 HydrophobicContact CD1-CE2 4.32Å; I194-Y201 HydrophobicContact CG2-CD2 3.34Å; I194-Y201 HydrophobicContact CG2-CE2 3.33Å; I194-Y201 HydrophobicContact CG2-CG 3.98Å |
| 195 | Q | 93.6 | Very high | 91.8 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.4 | -28.6 | 178.8 | -72.5 | 169.8 | 36.9 | 0 | 0 | 113.6 | E191 L193 V197 Y201 | E191-Q195 VanDerWaalsContact O-CG 3.29Å; E191-Q195 WeakPolarHBondContact O-CG 3.43Å; E191-Q195 PolarHBondContact O-N 3.15Å; E191-Q195 VanDerWaalsContact O-N 3.08Å; E191-Q195 PolarHBondContact O-NE2 3.49Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 2.7Å; Q195-V197 VanDerWaalsContact C-N 3.27Å; Q195-V197 PolarHBondContact O-N 3.24Å; Q195-Y201 HydrophobicContact CG-CD1 3.38Å; Q195-Y201 HydrophobicContact CG-CE1 4.14Å; Q195-Y201 HydrophobicContact CG-CG 4.07Å |
| 196 | K | 93.6 | Very high | 91.3 | Very high | 87 Ų | 87 | 49.5 Ų | 49.5 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -19.7 | 177.6 | -64.9 | -174.8 | -179.5 | -176.8 | 0 | 113 | D153 L156 S157 L193 I194 | D153-K196 WeakPolarHBondContact OD1-CE 3.42Å; D153-K196 IonicContact OD1-NZ 2.66Å; D153-K196 PolarHBondContact OD1-NZ 3.46Å; D153-K196 IonicContact OD2-NZ 2.79Å; D153-K196 PolarHBondContact OD2-NZ 3.24Å; L156-K196 HydrophobicContact CB-CB 4.3Å; L156-K196 HydrophobicContact CB-CD 4.04Å; L156-K196 HydrophobicContact CD1-CB 4.44Å; S157-K196 PolarHBondContact OG-NZ 3.4Å; L193-K196 PolarHBondContact O-N 3.29Å; I194-K196 PolarHBondContact O-N 3Å; I194-K196 VanDerWaalsContact O-N 3.16Å |
| 197 | V | 94.7 | Very high | 90.3 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -16.9 | -172.4 | -53.1 | 0 | 0 | 0 | 0 | 113.9 | L156 V163 I168 L171 I194 Q195 | L156-V197 HydrophobicContact CD1-CG1 3.9Å; L156-V197 HydrophobicContact CD2-CG1 3.63Å; L156-V197 HydrophobicContact CG-CG1 4.33Å; V163-V197 HydrophobicContact CB-CG1 4.5Å; V163-V197 HydrophobicContact CG1-CB 4.35Å; V163-V197 HydrophobicContact CG1-CG1 3.89Å; V163-V197 HydrophobicContact CG2-CG1 3.99Å; I168-V197 HydrophobicContact CG1-CB 4.34Å; I168-V197 HydrophobicContact CG1-CG2 4.48Å; L171-V197 HydrophobicContact CD1-CG1 4.44Å; L171-V197 HydrophobicContact CD1-CG2 3.68Å; I194-V197 WeakPolarHBondContact O-CG2 3.43Å; I194-V197 PolarHBondContact O-N 2.98Å; Q195-V197 VanDerWaalsContact C-N 3.27Å; Q195-V197 PolarHBondContact O-N 3.24Å |
| 198 | V | 93.9 | Very high | 88.5 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -123.8 | 123.7 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | I168 L172 I194 Y201 | I168-V198 HydrophobicContact CG2-CG2 3.99Å; L172-V198 HydrophobicContact CD1-CG2 4.45Å; L172-V198 HydrophobicContact CD2-CG2 4.15Å; L172-V198 HydrophobicContact CG-CG2 4.4Å; I194-V198 HydrophobicContact CG2-CB 4.19Å; I194-V198 HydrophobicContact CG2-CG2 4.17Å; I194-V198 PolarHBondContact O-N 3.07Å; V198-Y201 WeakPolarHBondContact O-CB 3.14Å |
| 199 | S | 89 | Confident | 86.7 | Confident | 116 Ų | 116 | 60 Ų | 60 | 81% | 0.811 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -136.6 | 130 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 200 | P | 90.1 | Very high | 84.6 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | S | Bend | cis | -74.4 | 141.8 | -5.7 | 31.3 | -34.1 | 0 | 0 | 0 | 111.9 | ||
| 201 | Y | 89.6 | Confident | 82.3 | Confident | 24 Ų | 24 | 68.6 Ų | 68.6 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | trans | -111.9 | 130.4 | 170.5 | 179 | -97.3 | 0 | 0 | 0 | 110.6 | E191 I194 Q195 V198 | E191-Y201 HydrophobicContact CB-CE1 4.16Å; E191-Y201 HydrophobicContact CG-CE1 4.39Å; E191-Y201 PolarHBondContact OE1-OH 2.98Å; I194-Y201 HydrophobicContact CB-CD2 4.33Å; I194-Y201 HydrophobicContact CB-CE2 4.09Å; I194-Y201 HydrophobicContact CD1-CE2 4.32Å; I194-Y201 HydrophobicContact CG2-CD2 3.34Å; I194-Y201 HydrophobicContact CG2-CE2 3.33Å; I194-Y201 HydrophobicContact CG2-CG 3.98Å; Q195-Y201 HydrophobicContact CG-CD1 3.38Å; Q195-Y201 HydrophobicContact CG-CE1 4.14Å; Q195-Y201 HydrophobicContact CG-CG 4.07Å; V198-Y201 WeakPolarHBondContact O-CB 3.14Å | ||
| 202 | L | 89 | Confident | 80 | Confident | 114 Ų | 114 | 71 Ų | 71 | 60% | 0.597 | 41% | 0.411 | S | S | * | . | trans | -105.2 | 96.9 | 177.2 | -174.1 | 72.4 | 0 | 0 | 0 | 108.9 | L207 | L202-L207 HydrophobicContact CD1-CD2 3.96Å; L202-L207 HydrophobicContact CD1-CG 3.97Å | ||
| 203 | G | 86.6 | Confident | 77.8 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 12% | 0.124 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -84.4 | -173.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | E191 Y205 G206 | E191-G203 WeakPolarHBondContact OE1-CA 3.39Å; G203-Y205 PolarHBondContact O-N 3.4Å; G203-G206 PolarHBondContact N-O 2.93Å; G203-G206 PolarHBondContact O-N 3.43Å |
| 204 | T | 86.6 | Confident | 75.6 | Confident | 61 Ų | 61 | 83.4 Ų | 83.4 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -40 | 179 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | V183 Y187 E191 | V183-T204 HydrophobicContact CG1-CG2 4.27Å; V183-T204 HydrophobicContact CG2-CG2 4.05Å; Y187-T204 WeakPolarHBondContact CE1-OG1 3.34Å; E191-T204 PolarHBondContact OE1-N 3.23Å; E191-T204 PolarHBondContact OE1-OG1 3.49Å; E191-T204 WeakPolarHBondContact OE2-CB 3.4Å; E191-T204 PolarHBondContact OE2-N 3.39Å; E191-T204 PolarHBondContact OE2-OG1 3.2Å |
| 205 | Y | 81.1 | Confident | 73 | Confident | 120 Ų | 120 | 89.4 Ų | 89.4 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 18.5 | 177.4 | -59.4 | -66.6 | 0 | 0 | 0 | 112.8 | L188 G203 S217 | L188-Y205 HydrophobicContact CD1-CE2 3.75Å; L188-Y205 HydrophobicContact CD2-CD2 4.04Å; L188-Y205 HydrophobicContact CD2-CE2 3.51Å; L188-Y205 HydrophobicContact CG-CE2 4.29Å; G203-Y205 PolarHBondContact O-N 3.4Å; Y205-S217 CarbonylContact O-C 3.4Å; Y205-S217 WeakPolarHBondContact O-CB 3.22Å |
| 206 | G | 79.7 | Confident | 70.6 | Confident | 3 Ų | 3 | 94.9 Ų | 94.9 | 3% | 0.031 | 53% | 0.533 | C | S | . | . | B | Isolated β-bridge | trans | 80.4 | -152.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | G203 Y208 | G203-G206 PolarHBondContact N-O 2.93Å; G203-G206 PolarHBondContact O-N 3.43Å; G206-Y208 PolarHBondContact O-N 2.89Å |
| 207 | L | 70.1 | Confident | 68.3 | Low | 110 Ų | 110 | 92 Ų | 92 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | trans | -76.9 | 113.2 | -175.9 | -65.3 | 177.4 | 0 | 0 | 0 | 110.4 | L202 S209 S217 | L202-L207 HydrophobicContact CD1-CD2 3.96Å; L202-L207 HydrophobicContact CD1-CG 3.97Å; L207-S209 PolarHBondContact O-N 3.3Å; L207-S217 WeakPolarHBondContact O-CB 3.26Å; L207-S217 PolarHBondContact O-OG 2.99Å | ||
| 208 | Y | 56.5 | Low | 65.8 | Low | 145 Ų | 145 | 95.4 Ų | 95.4 | 57% | 0.569 | 55% | 0.548 | S | S | * | . | trans | -71 | 120 | 170.3 | -110.7 | -101.2 | 0 | 0 | 0 | 109.6 | G206 S217 | G206-Y208 PolarHBondContact O-N 2.89Å; Y208-S217 WeakPolarHBondContact CA-OG 3.44Å | ||
| 209 | S | 53.9 | Low | 63.3 | Low | 88 Ų | 88 | 96.5 Ų | 96.5 | 62% | 0.615 | 56% | 0.557 | S | S | * | * | trans | -86.7 | 126.5 | 167.9 | -170.5 | 0 | 0 | 0 | 0 | 107.8 | L207 D211 | L207-S209 PolarHBondContact O-N 3.3Å; S209-D211 PolarHBondContact O-N 3.41Å; S209-D211 VanDerWaalsContact O-N 3.12Å | ||
| 210 | S | 50.6 | Low | 61.3 | Low | 122 Ų | 122 | 98.8 Ų | 98.8 | 85% | 0.853 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -67.8 | -5.8 | -177.9 | -173.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 211 | D | 47.6 | Very low | 59.2 | Low | 143 Ų | 143 | 99.8 Ų | 99.8 | 77% | 0.765 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -104.1 | 96.6 | -174.4 | -74.2 | -22.5 | 0 | 0 | 0 | 112.4 | S209 | S209-D211 PolarHBondContact O-N 3.41Å; S209-D211 VanDerWaalsContact O-N 3.12Å |
| 212 | G | 47.6 | Very low | 57 | Low | 59 Ų | 59 | 107 Ų | 107 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | S | Bend | trans | 105.3 | 156.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | F214 | G212-F214 PolarHBondContact O-N 3.34Š|
| 213 | P | 47.8 | Very low | 54.8 | Low | 121 Ų | 121 | 111.5 Ų | 111.5 | 79% | 0.786 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -72.3 | 120.8 | -170.2 | 28.9 | -31.7 | 0 | 0 | 0 | 111.2 | ||
| 214 | F | 48.9 | Very low | 52.7 | Low | 194 Ų | 194 | 121.1 Ų | 121.1 | 85% | 0.851 | 64% | 0.639 | S | S | * | * | trans | 47.9 | 78.5 | 165.4 | -54.2 | -79.7 | 0 | 0 | 0 | 115.7 | G212 | G212-F214 PolarHBondContact O-N 3.34Š| ||
| 215 | T | 43.1 | Very low | 50.5 | Low | 126 Ų | 126 | 128.4 Ų | 128.4 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | trans | -121.4 | 115.4 | 144.8 | 37.4 | 0 | 0 | 0 | 0 | 107.8 | S217 | T215-S217 PolarHBondContact O-N 2.85Š| ||
| 216 | H | 43.7 | Very low | 48.6 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 78% | 0.782 | 68% | 0.682 | S | S | * | * | trans | -41.1 | 110.5 | 174.8 | -66.9 | -87.8 | 0 | 0 | 0 | 109.8 | S218 | H216-S218 VanDerWaalsContact C-N 3.28Å; H216-S218 PolarHBondContact O-N 3.4Å; H216-S218 PolarHBondContact O-OG 2.88Å | ||
| 217 | S | 45.3 | Very low | 46.5 | Very low | 27 Ų | 27 | 144 Ų | 144 | 19% | 0.189 | 72% | 0.724 | C | S | . | * | trans | -49.5 | 99.8 | 164 | -68.1 | 0 | 0 | 0 | 0 | 107.4 | Y205 L207 Y208 T215 C219 | Y205-S217 CarbonylContact O-C 3.4Å; Y205-S217 WeakPolarHBondContact O-CB 3.22Å; L207-S217 WeakPolarHBondContact O-CB 3.26Å; L207-S217 PolarHBondContact O-OG 2.99Å; Y208-S217 WeakPolarHBondContact CA-OG 3.44Å; T215-S217 PolarHBondContact O-N 2.85Å; S217-C219 PolarHBondContact O-N 3.29Å | ||
| 218 | S | 42 | Very low | 44.8 | Very low | 97 Ų | 97 | 149 Ų | 149 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -88.6 | 102.3 | -178.3 | -55.3 | 0 | 0 | 0 | 0 | 104.6 | H216 I220 | H216-S218 VanDerWaalsContact C-N 3.28Å; H216-S218 PolarHBondContact O-N 3.4Å; H216-S218 PolarHBondContact O-OG 2.88Å; S218-I220 PolarHBondContact O-N 2.91Å | ||
| 219 | C | 41.6 | Very low | 43.9 | Very low | 63 Ų | 63 | 147.9 Ų | 147.9 | 43% | 0.426 | 75% | 0.749 | S | S | . | * | trans | -55.8 | 119.2 | 164.5 | 65.7 | 0 | 0 | 0 | 0 | 107.2 | S217 L221 | S217-C219 PolarHBondContact O-N 3.29Å; C219-L221 PolarHBondContact O-N 3.41Å | ||
| 220 | I | 46.3 | Very low | 43.2 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 54.2 | 175.3 | -58.7 | 171.2 | 0 | 0 | 0 | 108.5 | S218 | S218-I220 PolarHBondContact O-N 2.91Š|
| 221 | L | 46.1 | Very low | 42.7 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -14.8 | 172.8 | -90.2 | 158 | 0 | 0 | 0 | 111.9 | C219 K223 | C219-L221 PolarHBondContact O-N 3.41Å; L221-K223 PolarHBondContact O-N 3.31Å |
| 222 | E | 42.7 | Very low | 42.2 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -9.8 | -174.3 | -147.3 | 179.8 | 178.7 | 0 | 0 | 115.3 | ||
| 223 | K | 43.7 | Very low | 41.9 | Very low | 207 Ų | 207 | 154.2 Ų | 154.2 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 40.9 | -178.6 | -74.1 | -167.7 | 178.9 | 176.4 | 0 | 115.5 | L221 | L221-K223 PolarHBondContact O-N 3.31Š|
| 224 | R | 42.6 | Very low | 41.6 | Very low | 215 Ų | 215 | 156.1 Ų | 156.1 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -125.2 | 0.3 | 165.4 | -88.1 | -168.4 | -90.8 | 161.1 | -5.7 | 116.9 | ||
| 225 | Y | 39.8 | Very low | 41.8 | Very low | 214 Ų | 214 | 153.9 Ų | 153.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -109.5 | 13.5 | 178.4 | -76.7 | -77.7 | 0 | 0 | 0 | 116.3 | ||
| 226 | F | 40.7 | Very low | 41.6 | Very low | 207 Ų | 207 | 151.8 Ų | 151.8 | 91% | 0.908 | 76% | 0.764 | S | S | * | * | trans | -130.3 | 64.3 | 166.2 | -89.9 | -83.9 | 0 | 0 | 0 | 111.9 | ||||
| 227 | R | 35.5 | Very low | 41.9 | Very low | 242 Ų | 242 | 152.6 Ų | 152.6 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | trans | -103.1 | 92.9 | 144.5 | -85.3 | -154 | -154.6 | -153.4 | 7.5 | 108.2 | S229 | R227-S229 PolarHBondContact O-N 2.96Å; R227-S229 VanDerWaalsContact O-N 3.14Å | ||
| 228 | R | 34.8 | Very low | 41.4 | Very low | 216 Ų | 216 | 157.9 Ų | 157.9 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -56.1 | 112.5 | 158.5 | -168.7 | 176.1 | -152.7 | 166.9 | 6.7 | 107.3 | K230 | R228-K230 PolarHBondContact O-N 2.92Š| ||
| 229 | S | 37.8 | Very low | 41.8 | Very low | 121 Ų | 121 | 159 Ų | 159 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -54.6 | 110.9 | 162.4 | -77.5 | 0 | 0 | 0 | 0 | 108.5 | R227 | R227-S229 PolarHBondContact O-N 2.96Å; R227-S229 VanDerWaalsContact O-N 3.14Å | ||
| 230 | K | 38.4 | Very low | 41.7 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -113.2 | 115.4 | 151.7 | -80.6 | -162.9 | 172.6 | -172.3 | 0 | 106.8 | R228 | R228-K230 PolarHBondContact O-N 2.92Š| ||
| 231 | S | 40.4 | Very low | 42.1 | Very low | 132 Ų | 132 | 160 Ų | 160 | 92% | 0.923 | 81% | 0.808 | S | S | * | * | trans | -51.7 | 138 | 165 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 232 | G | 37 | Very low | 42.4 | Very low | 69 Ų | 69 | 163.8 Ų | 163.8 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | 162.6 | 83.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I234 | G232-I234 PolarHBondContact O-N 3.15Š| ||
| 233 | D | 42.2 | Very low | 42.7 | Very low | 165 Ų | 165 | 160.4 Ų | 160.4 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -40.5 | 125.7 | 167 | -88.3 | -44.5 | 0 | 0 | 0 | 112.6 | ||||
| 234 | I | 41.2 | Very low | 43.1 | Very low | 161 Ų | 161 | 160.6 Ų | 160.6 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -149.8 | 123 | 132 | -56.1 | -171 | 0 | 0 | 0 | 109.1 | G232 A236 | G232-I234 PolarHBondContact O-N 3.15Å; I234-A236 PolarHBondContact O-N 3.34Å | ||
| 235 | L | 52.8 | Low | 43.7 | Very low | 146 Ų | 146 | 154.1 Ų | 154.1 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -39.2 | 112.5 | 168 | -179.8 | 71.3 | 0 | 0 | 0 | 114 | ||||
| 236 | A | 39.3 | Very low | 43.9 | Very low | 83 Ų | 83 | 154.2 Ų | 154.2 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | trans | -137.9 | 105.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I234 N238 | I234-A236 PolarHBondContact O-N 3.34Å; A236-N238 PolarHBondContact O-N 2.98Å | ||
| 237 | K | 48.8 | Very low | 44.2 | Very low | 185 Ų | 185 | 152 Ų | 152 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 111.1 | 175.2 | -63.6 | 176.9 | 179.7 | 178 | 0 | 108.7 | ||||
| 238 | N | 36.2 | Very low | 44.5 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -86.5 | 129.5 | 165.7 | -85.1 | -67.5 | 0 | 0 | 0 | 109.5 | A236 V240 | A236-N238 PolarHBondContact O-N 2.98Å; N238-V240 PolarHBondContact O-N 3.4Å; N238-V240 VanDerWaalsContact O-N 3.1Å | ||
| 239 | P | 50.3 | Low | 45.4 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -83.4 | 88.1 | 176.4 | 33.6 | -29.1 | 0 | 0 | 0 | 108.7 | V241 | P239-V241 PolarHBondContact O-N 3.33Š| ||
| 240 | V | 39.6 | Very low | 46.1 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 62% | 0.624 | 78% | 0.782 | S | S | * | * | trans | -88.4 | 97.5 | 164.8 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | N238 R242 | N238-V240 PolarHBondContact O-N 3.4Å; N238-V240 VanDerWaalsContact O-N 3.1Å; V240-R242 VanDerWaalsContact C-N 3.3Å; V240-R242 HydrophobicContact CG1-CB 4.26Å; V240-R242 HydrophobicContact CG1-CG 4.29Å; V240-R242 PolarHBondContact O-N 2.93Å | ||
| 241 | V | 54 | Low | 46.7 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -69.5 | 93.8 | 163 | 178.1 | 0 | 0 | 0 | 0 | 106.7 | P239 | P239-V241 PolarHBondContact O-N 3.33Š| ||
| 242 | R | 52.2 | Low | 46.9 | Very low | 212 Ų | 212 | 143.2 Ų | 143.2 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -90.1 | 123.9 | 172.5 | -131.9 | 177.9 | 177.3 | 87.4 | -1 | 108.1 | V240 | V240-R242 VanDerWaalsContact C-N 3.3Å; V240-R242 HydrophobicContact CG1-CB 4.26Å; V240-R242 HydrophobicContact CG1-CG 4.29Å; V240-R242 PolarHBondContact O-N 2.93Å | ||
| 243 | S | 49.3 | Very low | 47.4 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -55.5 | 133.9 | 176.2 | 35.3 | 0 | 0 | 0 | 0 | 111.6 | S245 | S243-S245 PolarHBondContact O-N 3.39Å; S243-S245 VanDerWaalsContact O-N 3.13Å | ||
| 244 | K | 51.5 | Low | 47.5 | Very low | 211 Ų | 211 | 144 Ų | 144 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -74.9 | 86.3 | 175 | -68.8 | -178.9 | 176 | -179.6 | 0 | 110.3 | ||
| 245 | S | 55 | Low | 48 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 55% | 0.552 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -146 | 0.2 | 165.7 | 80.5 | 0 | 0 | 0 | 0 | 118.3 | S243 | S243-S245 PolarHBondContact O-N 3.39Å; S243-S245 VanDerWaalsContact O-N 3.13Å |
| 246 | Y | 45.2 | Very low | 47.6 | Very low | 216 Ų | 216 | 141.9 Ų | 141.9 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -144.3 | 74.2 | 171.8 | -66.9 | -78.7 | 0 | 0 | 0 | 111.4 | ||||
| 247 | N | 46.1 | Very low | 47.7 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -110 | 95.9 | 157.9 | -84.9 | -44.9 | 0 | 0 | 0 | 107.1 | ||||
| 248 | N | 43.1 | Very low | 47.1 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -133.1 | 97.2 | 163.3 | -117.7 | -33.7 | 0 | 0 | 0 | 107 | L250 | N248-L250 PolarHBondContact O-N 2.9Š| ||
| 249 | P | 52.7 | Low | 47.2 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -86.9 | 92.5 | 170.2 | 33.2 | -24.4 | 0 | 0 | 0 | 107.1 | ||||
| 250 | L | 53.4 | Low | 46.7 | Very low | 143 Ų | 143 | 151.3 Ų | 151.3 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -128.8 | 98.3 | 167.3 | -77.5 | 166.6 | 0 | 0 | 0 | 106.3 | N248 | N248-L250 PolarHBondContact O-N 2.9Š| ||
| 251 | L | 50.4 | Low | 46.5 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | 178.8 | 114.4 | 133.2 | -86.5 | 177.4 | 0 | 0 | 0 | 107.3 | ||||
| 252 | T | 45.5 | Very low | 45.6 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71 | 137.3 | 174 | -35.6 | 0 | 0 | 0 | 0 | 109.1 | V254 | T252-V254 PolarHBondContact O-N 2.88Š|
| 253 | P | 46 | Very low | 44.8 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61 | 132.8 | 176.1 | -20 | 31.4 | 0 | 0 | 0 | 111 | A255 | P253-A255 PolarHBondContact O-N 3.34Š|
| 254 | V | 44.6 | Very low | 44.2 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123 | 172.9 | 173 | 0 | 0 | 0 | 0 | 108.4 | T252 | T252-V254 PolarHBondContact O-N 2.88Š|
| 255 | A | 52.8 | Low | 43.4 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 116.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | P253 Y257 | P253-A255 PolarHBondContact O-N 3.34Å; A255-Y257 PolarHBondContact O-N 3.03Å |
| 256 | E | 44.3 | Very low | 42.4 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -76.7 | 115.7 | 168.6 | -66 | 179 | 176.6 | 0 | 0 | 108.2 | ||||
| 257 | Y | 41.4 | Very low | 42 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -86.2 | 111.9 | 170.5 | -103.2 | -95.7 | 0 | 0 | 0 | 108.5 | A255 | A255-Y257 PolarHBondContact O-N 3.03Š| ||
| 258 | E | 36.1 | Very low | 41.5 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -72 | 125.9 | 165.3 | -73.1 | -170.8 | 137.6 | 0 | 0 | 109.3 | ||||
| 259 | T | 37.8 | Very low | 41.5 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -93.4 | 113.8 | 168.8 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | G261 | T259-G261 PolarHBondContact O-N 2.95Š| ||
| 260 | E | 39.4 | Very low | 41 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -60.5 | 124.4 | 172.2 | -70.6 | -177.8 | 148.9 | 0 | 0 | 111 | ||||
| 261 | G | 36.5 | Very low | 40.9 | Very low | 78 Ų | 78 | 145.7 Ų | 145.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -133.4 | 98.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | T259 | T259-G261 PolarHBondContact O-N 2.95Š| ||
| 262 | I | 35.2 | Very low | 40.8 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -62.3 | 125.4 | 179.6 | -67.5 | 152 | 0 | 0 | 0 | 111.3 | ||||
| 263 | A | 35 | Very low | 41 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -172.3 | 110.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 264 | A | 35.8 | Very low | 40.8 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | 22.1 | 124.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 265 | N | 34.6 | Very low | 40.5 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 70.9 | 102 | 138 | -62.2 | -1 | 0 | 0 | 0 | 119.1 | ||||
| 266 | G | 35.3 | Very low | 39.9 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -173.1 | 100.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 267 | T | 35.2 | Very low | 39.5 | Very low | 148 Ų | 148 | 148 Ų | 148 | 91% | 0.908 | 82% | 0.82 | S | S | * | * | trans | -50 | 133.1 | 172.7 | 20.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 268 | G | 36.5 | Very low | 39.3 | Very low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | 78.8 | 112.8 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 269 | I | 42.3 | Very low | 39.2 | Very low | 164 Ų | 164 | 140 Ų | 140 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | 66.1 | 115.7 | 138.3 | -51.2 | 150.5 | 0 | 0 | 0 | 116.8 | ||||
| 270 | R | 43.6 | Very low | 38.8 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | 161.6 | 126 | 102.4 | -146.5 | 164.4 | -175.3 | 164 | -1.2 | 110 | H272 | R270-H272 PolarHBondContact O-N 2.88Å; R270-H272 PolarHBondContact O-ND1 3.39Å | |||
| 271 | R | 51.1 | Low | 38.7 | Very low | 251 Ų | 251 | 138.1 Ų | 138.1 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -54 | 122.9 | 173.1 | -64.6 | 172.4 | 167.5 | 174.8 | -5.8 | 111 | ||||
| 272 | H | 48.1 | Very low | 38.4 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -128.6 | 113.3 | 153.2 | 50.2 | -75.8 | 0 | 0 | 0 | 106.8 | R270 V274 | R270-H272 PolarHBondContact O-N 2.88Å; R270-H272 PolarHBondContact O-ND1 3.39Å; H272-V274 HydrophobicContact CB-CG2 4.34Å | ||
| 273 | S | 50.2 | Low | 38.3 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -80.4 | 110.3 | 166.1 | -167.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 274 | V | 40.7 | Very low | 38.2 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 61% | 0.606 | 81% | 0.806 | S | S | * | * | trans | -124.9 | 107.2 | 170.7 | -172.8 | 0 | 0 | 0 | 0 | 105.7 | H272 E276 | H272-V274 HydrophobicContact CB-CG2 4.34Å; V274-E276 HydrophobicContact CG1-CG 3.99Å | ||
| 275 | S | 39.4 | Very low | 38 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -94.8 | 91.7 | 161.4 | -66 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 276 | E | 40.2 | Very low | 37.8 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -59.3 | 128.3 | 154.5 | -71.7 | 173.7 | 157.2 | 0 | 0 | 107.7 | V274 | V274-E276 HydrophobicContact CG1-CG 3.99Š| ||
| 277 | M | 35.4 | Very low | 37.6 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 95% | 0.946 | 81% | 0.808 | S | S | * | * | trans | -109.8 | 112.9 | 168.9 | -159.8 | 155.8 | 147.4 | 0 | 0 | 107.2 | ||||
| 278 | T | 36.8 | Very low | 37.4 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -63.5 | 136.9 | -176.7 | 33.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 279 | S | 33.6 | Very low | 37.4 | Very low | 108 Ų | 108 | 154.7 Ų | 154.7 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -63.3 | 134.3 | 168.1 | 42.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 280 | C | 29.9 | Very low | 37 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | trans | -86.7 | 114.6 | 167.6 | -71.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 281 | L | 37 | Very low | 36.5 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -83.6 | 136.4 | 169.5 | -91.7 | 160.9 | 0 | 0 | 0 | 111.1 | ||||
| 282 | E | 30.7 | Very low | 35.7 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 71% | 0.71 | 81% | 0.811 | S | S | * | * | trans | 3.2 | 128.8 | 152.1 | -76 | 167.9 | 140.2 | 0 | 0 | 119.7 | ||||
| 283 | L | 33.4 | Very low | 35.4 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -112.2 | 98.4 | 153.2 | -149.1 | 76 | 0 | 0 | 0 | 108.8 | ||||
| 284 | Q | 33.2 | Very low | 34.5 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 67% | 0.673 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 120.2 | 176.8 | -166.1 | 95.4 | 11.7 | 0 | 0 | 110.2 | ||
| 285 | G | 30.8 | Very low | 34.3 | Very low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71 | 127.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 286 | Y | 30.3 | Very low | 33.9 | Very low | 213 Ų | 213 | 145 Ų | 145 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 120.7 | 166.2 | -85.3 | -91.6 | 0 | 0 | 0 | 109.6 | ||
| 287 | S | 31.8 | Very low | 33.7 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -165.9 | 92.1 | 148.5 | -83.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 288 | N | 31.8 | Very low | 33.8 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 120.3 | 159.5 | -79 | -46.3 | 0 | 0 | 0 | 107.4 | ||
| 289 | L | 35.1 | Very low | 33.7 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 138.1 | 156.8 | -93.1 | 161.7 | 0 | 0 | 0 | 108.2 | ||
| 290 | T | 35.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 145.3 | -158.2 | 36.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 291 | T | 32.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 140.1 | 161.1 | 40.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 292 | I | 34.2 | Very low | 33.3 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 86% | 0.862 | 80% | 0.799 | S | S | * | * | trans | -121.9 | 127.6 | 156.6 | -65.6 | 178.9 | 0 | 0 | 0 | 106.8 | ||||
| 293 | M | 40.8 | Very low | 33.2 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -80.7 | 148.5 | 179.3 | -66.5 | 169.8 | 53.9 | 0 | 0 | 112.1 | ||||
| 294 | D | 32.8 | Very low | 33 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | 136 | 161 | 104 | -140.2 | -4.4 | 0 | 0 | 0 | 115.5 | |||||
| 295 | N | 34.6 | Very low | 33 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | 98.2 | 93.3 | 166.2 | -85.5 | 27.3 | 0 | 0 | 0 | 118.3 | ||||
| 296 | G | 31.5 | Very low | 33 | Very low | 68 Ų | 68 | 141.8 Ų | 141.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -77 | 178 | 168 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 297 | S | 37.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -154.5 | 134 | 154.4 | -81 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 298 | K | 37.4 | Very low | 33 | Very low | 204 Ų | 204 | 138.8 Ų | 138.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -73.3 | 155.3 | 178.3 | -62.1 | 169.8 | 174.9 | 175.7 | 0 | 110.6 | ||||
| 299 | S | 33.1 | Very low | 32.9 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 154.9 | 99.5 | 144.2 | -67 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 300 | S | 32 | Very low | 32.6 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | 66.3 | 139.3 | 71.8 | -158.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 301 | M | 30.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | 92.4 | 98.5 | 167.2 | -52 | -94.9 | 80.6 | 0 | 0 | 115.3 | ||||
| 302 | T | 29.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | 61.2 | 114.9 | 84.9 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 303 | A | 30 | Very low | 32 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | 174.9 | 137.6 | 114.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 304 | T | 29.5 | Very low | 31.6 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -74.8 | 155.6 | 176.8 | 36 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 305 | K | 32.8 | Very low | 32.3 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | 94.9 | 143.8 | 129.9 | -99.1 | 179.3 | -177.9 | -178.7 | 0 | 121.3 | |||||
| 306 | N | 30 | Very low | 32.1 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 90.6 | 140.2 | 156.7 | -63.1 | -0.8 | 0 | 0 | 0 | 116 | ||||
| 307 | S | 29.3 | Very low | 32 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | cis | -174.4 | 166 | -7.4 | 41.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 308 | L | 32.6 | Very low | 31.6 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -53.1 | 168.4 | -175.8 | -78.9 | 69.2 | 0 | 0 | 0 | 119 | ||||
| 309 | S | 29.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | 112 | 134.2 | 136 | -151.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 310 | G | 28.9 | Very low | 31.2 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | cis | 176.8 | 161.1 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 311 | D | 32.1 | Very low | 31.2 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | 52.6 | 119.2 | 148.1 | -84.1 | -39.9 | 0 | 0 | 0 | 124.9 | ||||
| 312 | Q | 30.6 | Very low | 31.1 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | 79.3 | 140.2 | 118.3 | -125.5 | 175.8 | 105.7 | 0 | 0 | 123.3 | |||||
| 313 | E | 27.9 | Very low | 31.3 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 93.8 | 129.5 | 154.5 | -59.7 | -161.4 | 110.4 | 0 | 0 | 122.4 | ||||
| 314 | R | 30.9 | Very low | 31.2 | Very low | 234 Ų | 234 | 131.8 Ų | 131.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -74.2 | -173.7 | 168.1 | -106.7 | -171.2 | -176.1 | 150.5 | 0.2 | 110.6 | ||||
| 315 | P | 47.2 | Very low | 31.3 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -138.7 | 178.7 | -38.4 | 36 | -17.3 | 0 | 0 | 0 | 114.5 | ||||
| 316 | S | 30.4 | Very low | 31.2 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 110.8 | 150.2 | 133.4 | -146.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 317 | A | 31 | Very low | 31 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 82.8 | 133.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 318 | G | 27.8 | Very low | 30.9 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | cis | -161.8 | 156.1 | 5.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 319 | S | 31.6 | Very low | 30.7 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 104.9 | 113.2 | 59.7 | 171 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 320 | V | 31.3 | Very low | 30.7 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -159.8 | 95.3 | 136.7 | -178.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 321 | Q | 32.4 | Very low | 30.6 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | 64.1 | 143.3 | 97.9 | -77.2 | -170.7 | -19.2 | 0 | 0 | 116.4 | |||||
| 322 | C | 28.6 | Very low | 30.6 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | cis | 178.9 | 151 | -26.9 | -130.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 323 | S | 32.5 | Very low | 30.5 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 76.8 | 147.4 | 136 | -66.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 324 | S | 27.4 | Very low | 30.5 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -172 | 164.8 | 0.6 | 38.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 325 | K | 32.1 | Very low | 30.4 | Very low | 187 Ų | 187 | 131 Ų | 131 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -90.6 | 164.3 | -179.7 | -70.2 | 171 | 164.3 | -176.6 | 0 | 114.7 | ||||
| 326 | L | 30.7 | Very low | 29.6 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | 78.6 | 124.4 | 137.5 | -101.8 | 135 | 0 | 0 | 0 | 121.9 | ||||
| 327 | N | 26 | Very low | 29.5 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | 178.9 | 139.6 | 115.2 | -87.8 | -15.5 | 0 | 0 | 0 | 116.3 | |||||
| 328 | T | 27.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | -6.8 | 141.2 | 151.7 | -18.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 329 | V | 28.7 | Very low | 29.5 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | trans | 89.2 | 127.7 | 135.2 | 154.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 330 | E | 28.1 | Very low | 29.4 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | trans | 89.1 | 135.4 | 145.1 | -96.4 | -173.3 | -172.5 | 0 | 0 | 126.9 | ||||
| 331 | Q | 28.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 141 Ų | 141 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | 90.7 | 106.8 | 143.5 | -77.2 | 179.8 | 37.7 | 0 | 0 | 123.3 | ||||
| 332 | Q | 30.8 | Very low | 30.1 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | 43.1 | 127.7 | 125.7 | -68 | -175.5 | -11.9 | 0 | 0 | 121 | |||||
| 333 | K | 29.5 | Very low | 30.1 | Very low | 212 Ų | 212 | 139.9 Ų | 139.9 | 92% | 0.922 | 75% | 0.75 | S | S | * | * | -174.5 | 121.7 | 115.6 | -148.9 | 161.5 | -177.4 | 174.6 | 0 | 114.6 | |||||
| 334 | G | 27.7 | Very low | 30 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 78.2 | 147 | 142.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 335 | L | 28.5 | Very low | 30.1 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | cis | -178.5 | 137.9 | -0.6 | -152.6 | 69.8 | 0 | 0 | 0 | 110.2 | ||||
| 336 | F | 29.6 | Very low | 30.1 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | 67.1 | 114.2 | 157.4 | -56.9 | -40.6 | 0 | 0 | 0 | 122 | ||||
| 337 | H | 29.2 | Very low | 30.2 | Very low | 178 Ų | 178 | 145 Ų | 145 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | 65.7 | 144.8 | 85.4 | -87 | -56.7 | 0 | 0 | 0 | 114 | |||||
| 338 | S | 27.3 | Very low | 30.4 | Very low | 82 Ų | 82 | 146.4 Ų | 146.4 | 57% | 0.573 | 76% | 0.764 | S | S | * | * | cis | 164.2 | 137.9 | -11 | 159.5 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 339 | V | 31.1 | Very low | 30.5 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -151 | 146 | 149.8 | -177 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 340 | D | 29.6 | Very low | 30.6 | Very low | 141 Ų | 141 | 153.2 Ų | 153.2 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -77.5 | 161.5 | -158.8 | -59.4 | -75 | 0 | 0 | 0 | 118.7 | ||||
| 341 | D | 31.2 | Very low | 30.9 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -26.5 | 176.7 | 146.1 | -136.9 | 19.3 | 0 | 0 | 0 | 116 | ||||
| 342 | P | 47.1 | Very low | 31.8 | Very low | 85 Ų | 85 | 151.5 Ų | 151.5 | 55% | 0.552 | 78% | 0.78 | S | S | * | * | cis | -152.8 | 177.9 | 15.2 | 39.9 | -15.4 | 0 | 0 | 0 | 120.3 | ||||
| 343 | H | 29.9 | Very low | 32 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | 70.9 | 117.7 | 151.1 | -55.9 | -48.9 | 0 | 0 | 0 | 121.4 | ||||
| 344 | Q | 28.9 | Very low | 32.2 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | -161.7 | 120.6 | 109.5 | -159.6 | 147.8 | 15.4 | 0 | 0 | 112.6 | |||||
| 345 | S | 30.3 | Very low | 32.6 | Very low | 95 Ų | 95 | 148.9 Ų | 148.9 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -78 | 146.6 | 172.9 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 346 | F | 33 | Very low | 32.9 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -154.6 | 113.3 | 132.9 | -82.4 | -67 | 0 | 0 | 0 | 110 | ||||
| 347 | E | 31.2 | Very low | 33.2 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -78.1 | 152.5 | 163 | -76.2 | 177.3 | 129.1 | 0 | 0 | 110.7 | ||||
| 348 | L | 31 | Very low | 33.5 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -154.8 | 99.9 | 136.3 | -112.2 | 161.5 | 0 | 0 | 0 | 111.2 | ||||
| 349 | D | 29.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -13.7 | 128.5 | 151.4 | -153.3 | 6.4 | 0 | 0 | 0 | 119.1 | ||||
| 350 | R | 30.8 | Very low | 34.2 | Very low | 241 Ų | 241 | 143.6 Ų | 143.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -177.6 | 112.8 | 134.3 | -122.3 | -179.6 | -178.3 | 171.3 | 1.5 | 112.4 | ||||
| 351 | D | 33.9 | Very low | 34.6 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -109.1 | 171.6 | 148.3 | -108.7 | -25.8 | 0 | 0 | 0 | 107.6 | ||||
| 352 | P | 48.8 | Very low | 35 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -138.9 | 166.5 | 11.2 | 38.4 | -19.5 | 0 | 0 | 0 | 115.3 | ||||
| 353 | A | 33.2 | Very low | 34.7 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | 178.8 | 107.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 354 | L | 33.8 | Very low | 35.4 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | 35.8 | 113.3 | 133.2 | -60 | 165.6 | 0 | 0 | 0 | 119.6 | ||||
| 355 | I | 36.7 | Very low | 36.1 | Very low | 150 Ų | 150 | 140 Ų | 140 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 177.2 | 127.5 | 115.4 | -82.6 | 151.6 | 0 | 0 | 0 | 108.4 | |||||
| 356 | P | 34.9 | Very low | 36.9 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 121.9 | 173.4 | 31.5 | -27.9 | 0 | 0 | 0 | 110.7 | ||
| 357 | V | 35.3 | Very low | 37.2 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -95 | 120.1 | 162.6 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | S359 | V357-S359 PolarHBondContact O-N 3.45Š|
| 358 | P | 35.8 | Very low | 37.6 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 126.8 | 170.8 | 28.6 | -28.8 | 0 | 0 | 0 | 109.9 | S360 | P358-S360 PolarHBondContact O-N 3.27Š|
| 359 | S | 40.3 | Very low | 38.4 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 127.1 | 160.4 | 52 | 0 | 0 | 0 | 0 | 111.2 | V357 | V357-S359 PolarHBondContact O-N 3.45Š|
| 360 | S | 32.9 | Very low | 39 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -145.4 | 131.4 | 157.1 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | P358 | P358-S360 PolarHBondContact O-N 3.27Š| ||
| 361 | S | 37.5 | Very low | 39.6 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | -67.5 | 158.4 | -177.3 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | E363 | S361-E363 VanDerWaalsContact C-N 3.29Å; S361-E363 PolarHBondContact O-N 3.01Å; S361-E363 VanDerWaalsContact O-N 3.08Å | ||
| 362 | P | 39.8 | Very low | 39.9 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -84.2 | 25.1 | -164.1 | 34.9 | -36.2 | 0 | 0 | 0 | 115.6 | ||
| 363 | E | 42.1 | Very low | 39.8 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 12.2 | -166.6 | -67.6 | -166.7 | 142.7 | 0 | 0 | 116 | S361 | S361-E363 VanDerWaalsContact C-N 3.29Å; S361-E363 PolarHBondContact O-N 3.01Å; S361-E363 VanDerWaalsContact O-N 3.08Å |
| 364 | N | 44.3 | Very low | 40.3 | Very low | 115 Ų | 115 | 131 Ų | 131 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 16.3 | -174.9 | -137.7 | 22.1 | 0 | 0 | 0 | 116.6 | ||
| 365 | I | 42.2 | Very low | 41.2 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -93 | -13.9 | 179.7 | -66.2 | 170.8 | 0 | 0 | 0 | 112.2 | I369 | I365-I369 HydrophobicContact CG2-CD1 4.37Š|
| 366 | V | 47.5 | Very low | 41.4 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 62% | 0.618 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -82 | -28 | -174.5 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 367 | D | 40.8 | Very low | 42.2 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -81.2 | -29 | -174.5 | -68.8 | -25.8 | 0 | 0 | 0 | 113.6 | I369 L370 | D367-I369 VanDerWaalsContact C-N 3.35Å; D367-I369 PolarHBondContact O-N 3.45Å; D367-L370 PolarHBondContact O-N 3.41Å |
| 368 | Q | 39 | Very low | 42.7 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -77.9 | -16.7 | 178.1 | -83.3 | 169.3 | 25.2 | 0 | 0 | 114.4 | ||
| 369 | I | 47.7 | Very low | 43 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 59% | 0.585 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -87.9 | -23.1 | 176.3 | -60.1 | 175.6 | 0 | 0 | 0 | 110.7 | I365 D367 | I365-I369 HydrophobicContact CG2-CD1 4.37Å; D367-I369 VanDerWaalsContact C-N 3.35Å; D367-I369 PolarHBondContact O-N 3.45Å |
| 370 | L | 42.2 | Very low | 43.5 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -80.1 | -18.4 | 178.8 | -117.3 | 81.8 | 0 | 0 | 0 | 114.1 | D367 | D367-L370 PolarHBondContact O-N 3.41Å |
| 371 | E | 43.7 | Very low | 43.7 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -95.1 | -2.8 | -177.6 | -113 | 179.5 | 177.4 | 0 | 0 | 114.6 | ||
| 372 | S | 40.5 | Very low | 44.5 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -111.9 | 9.3 | -173.2 | 58.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 373 | I | 46 | Very low | 44.6 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | trans | -107.5 | 4 | -175.5 | -142.5 | 156.9 | 0 | 0 | 0 | 115.4 | S375 | I373-S375 PolarHBondContact O-N 3.43Š| ||
| 374 | D | 44 | Very low | 44.6 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -95.3 | 28 | -177.5 | -97.6 | -7.5 | 0 | 0 | 0 | 114.7 | ||
| 375 | S | 51.8 | Low | 44.3 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | -151 | 97.3 | 169.6 | -164 | 0 | 0 | 0 | 0 | 111.8 | I373 | I373-S375 PolarHBondContact O-N 3.43Š| ||
| 376 | D | 40.7 | Very low | 44.4 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | -176.6 | 95.5 | 131.9 | -86.7 | -15.1 | 0 | 0 | 0 | 109.7 | E378 | D376-E378 PolarHBondContact O-N 3.3Š| ||
| 377 | S | 52.7 | Low | 43.8 | Very low | 128 Ų | 128 | 139 Ų | 139 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | -81.9 | 93.8 | 170.5 | 48.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 378 | E | 44.3 | Very low | 43.4 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -108.9 | 100.9 | 165.8 | -150.3 | 165.6 | -152.7 | 0 | 0 | 109.1 | D376 I380 | D376-E378 PolarHBondContact O-N 3.3Å; E378-I380 PolarHBondContact O-N 2.95Å | ||
| 379 | G | 42.7 | Very low | 43.6 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -69.3 | 122.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F381 | G379-F381 PolarHBondContact O-N 3.06Å; G379-F381 VanDerWaalsContact O-N 3.16Å | ||
| 380 | I | 50.9 | Low | 43.1 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -74 | 105.8 | 173.3 | -59.2 | 174.8 | 0 | 0 | 0 | 108.5 | E378 I382 | E378-I380 PolarHBondContact O-N 2.95Å; I380-I382 HydrophobicContact CG2-CG1 4.01Å | ||
| 381 | F | 37.4 | Very low | 42.8 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -80.3 | 120.6 | 163.7 | -100 | -96 | 0 | 0 | 0 | 108.9 | G379 | G379-F381 PolarHBondContact O-N 3.06Å; G379-F381 VanDerWaalsContact O-N 3.16Å | ||
| 382 | I | 53.8 | Low | 42.5 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -100.6 | 111.7 | 168.5 | -52.8 | -178.8 | 0 | 0 | 0 | 108 | I380 F384 | I380-I382 HydrophobicContact CG2-CG1 4.01Å; I382-F384 HydrophobicContact CB-CE2 4.18Å; I382-F384 HydrophobicContact CG2-CD2 3.84Å; I382-F384 HydrophobicContact CG2-CE1 4.29Å; I382-F384 HydrophobicContact CG2-CE2 3.3Å; I382-F384 HydrophobicContact CG2-CZ 3.56Å | ||
| 383 | D | 42.1 | Very low | 42.1 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -90.9 | 122.8 | 172.6 | -169.4 | 11.8 | 0 | 0 | 0 | 109.6 | ||||
| 384 | F | 42.5 | Very low | 41.5 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | trans | -107.7 | 78.1 | 174.2 | -74.1 | -77 | 0 | 0 | 0 | 109 | I382 R386 | I382-F384 HydrophobicContact CB-CE2 4.18Å; I382-F384 HydrophobicContact CG2-CD2 3.84Å; I382-F384 HydrophobicContact CG2-CE1 4.29Å; I382-F384 HydrophobicContact CG2-CE2 3.3Å; I382-F384 HydrophobicContact CG2-CZ 3.56Å; F384-R386 PolarHBondContact O-N 3.38Å | ||
| 385 | G | 38.1 | Very low | 41.1 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 119.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 386 | R | 44.3 | Very low | 40.5 | Very low | 248 Ų | 248 | 137.9 Ų | 137.9 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 118.7 | 171.5 | -165.4 | -176.1 | -135.4 | -101.6 | 3.4 | 109.3 | F384 | F384-R386 PolarHBondContact O-N 3.38Š| ||
| 387 | G | 35.2 | Very low | 40.2 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | -169.6 | 91.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 388 | C | 32.9 | Very low | 39.6 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 62.6 | 107.4 | 100.2 | -71.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 389 | S | 43 | Very low | 39.2 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -38.7 | 133.8 | 169.6 | -48.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 390 | N | 35.8 | Very low | 39.1 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -141.2 | 106.8 | 148.9 | -82.6 | -35 | 0 | 0 | 0 | 108.2 | ||||
| 391 | S | 36.3 | Very low | 38.4 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -69.1 | 122.7 | 171.8 | 55.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 392 | S | 36.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 113 | 166.4 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | Y394 | S392-Y394 PolarHBondContact O-N 2.84Š| ||
| 393 | A | 33 | Very low | 37.4 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 122.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 394 | Y | 33.5 | Very low | 36.9 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 116.2 | 163.8 | 67.4 | -88.3 | 0 | 0 | 0 | 107.5 | S392 V396 | S392-Y394 PolarHBondContact O-N 2.84Å; Y394-V396 HydrophobicContact CD2-CG2 4.37Å |
| 395 | N | 36.2 | Very low | 36.7 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 118 | 171.5 | -175 | -44.5 | 0 | 0 | 0 | 107.2 | D397 | N395-D397 PolarHBondContact OD1-N 3.41Å; N395-D397 PolarHBondContact OD1-OD2 3.38Å |
| 396 | V | 38.6 | Very low | 36.6 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 67% | 0.673 | 81% | 0.806 | S | S | * | * | trans | -131.9 | 89.3 | 165.1 | -178.8 | 0 | 0 | 0 | 0 | 107 | Y394 V398 | Y394-V396 HydrophobicContact CD2-CG2 4.37Å; V396-V398 HydrophobicContact CG1-CG2 4.11Å; V396-V398 PolarHBondContact O-N 3.23Å | ||
| 397 | D | 33.6 | Very low | 36.2 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -61.8 | 108.6 | 164.7 | -82.1 | -46.8 | 0 | 0 | 0 | 110 | N395 | N395-D397 PolarHBondContact OD1-N 3.41Å; N395-D397 PolarHBondContact OD1-OD2 3.38Å | ||
| 398 | V | 39.9 | Very low | 36.2 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -101.1 | 97.6 | 163.9 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | V396 | V396-V398 HydrophobicContact CG1-CG2 4.11Å; V396-V398 PolarHBondContact O-N 3.23Å | ||
| 399 | N | 37.2 | Very low | 36.4 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -73.3 | 118 | 173.6 | -169.7 | 8.6 | 0 | 0 | 0 | 110.5 | ||||
| 400 | R | 39.9 | Very low | 36 | Very low | 212 Ų | 212 | 149.2 Ų | 149.2 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -142.6 | 110.3 | 156.9 | -92.3 | -163 | 178.6 | -167.3 | 0.3 | 111.2 | ||||
| 401 | Q | 37.4 | Very low | 36 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | 60.7 | 122.9 | 138.6 | -73.6 | 155.3 | -22.5 | 0 | 0 | 119.3 | ||||
| 402 | S | 33.5 | Very low | 36 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | 170.7 | 145.6 | 93.8 | -156.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 403 | I | 35.3 | Very low | 35.9 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 71.3 | 120.1 | 160.8 | -55.1 | 140 | 0 | 0 | 0 | 114.1 | ||||
| 404 | M | 32.8 | Very low | 36.2 | Very low | 253 Ų | 253 | 158.4 Ų | 158.4 | 100% | 1.246 | 80% | 0.797 | S | S | * | * | cis | -155.6 | 0 | 38.2 | -156.9 | 171.3 | -173.4 | 0 | 0 | 110.1 |
Retrieved 404 of 404 residues in 121 ms
(Link to these results)