| 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 | 37.7 | Very low | 43.2 | Very low | 191 Ų | 191 | 115.5 Ų | 115.5 | 94% | 0.941 | 59% | 0.589 | S | S | * | * | 0 | -83.1 | 0 | -66.6 | -48.2 | -165.6 | 0 | 0 | 114 | N3 L4 Q5 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.24Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 2.88Å; M1-Q5 PolarHBondContact O-N 2.7Å | |||
| 2 | R | 35.5 | Very low | 44.4 | Very low | 207 Ų | 207 | 117.9 Ų | 117.9 | 78% | 0.781 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -48.6 | -41.6 | -168.8 | -78 | -178.4 | 174.8 | 164.5 | -1.3 | 115.6 | L4 Q5 I6 | R2-L4 VanDerWaalsContact C-N 3.31Å; R2-L4 PolarHBondContact O-N 3.25Å; R2-Q5 WeakPolarHBondContact O-CB 3.12Å; R2-Q5 PolarHBondContact O-N 3.18Å; R2-Q5 VanDerWaalsContact O-N 3.11Å; R2-I6 WeakPolarHBondContact O-CG1 3.27Å; R2-I6 PolarHBondContact O-N 2.74Å |
| 3 | N | 38.7 | Very low | 45.8 | Very low | 133 Ų | 133 | 114.6 Ų | 114.6 | 71% | 0.711 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.8 | -29.2 | 178.6 | -66.9 | 1.8 | 0 | 0 | 0 | 114 | M1 I6 S7 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.24Å; N3-I6 PolarHBondContact O-N 2.69Å; N3-S7 PolarHBondContact O-N 2.74Å |
| 4 | L | 34.9 | Very low | 47.2 | Very low | 120 Ų | 120 | 116.6 Ų | 116.6 | 63% | 0.628 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.3 | -37.6 | 172.1 | -83 | 158.5 | 0 | 0 | 0 | 111.7 | M1 R2 S7 T8 | M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 2.88Å; R2-L4 VanDerWaalsContact C-N 3.31Å; R2-L4 PolarHBondContact O-N 3.25Å; L4-S7 PolarHBondContact O-N 2.87Å; L4-S7 PolarHBondContact O-OG 2.8Å; L4-T8 PolarHBondContact O-N 3.43Å; L4-T8 PolarHBondContact O-OG1 3.13Å |
| 5 | Q | 38.5 | Very low | 48.6 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.8 | -40.5 | 171 | -70.5 | 172.7 | -52.3 | 0 | 0 | 111.6 | M1 R2 S7 T8 H9 | M1-Q5 PolarHBondContact O-N 2.7Å; R2-Q5 WeakPolarHBondContact O-CB 3.12Å; R2-Q5 PolarHBondContact O-N 3.18Å; R2-Q5 VanDerWaalsContact O-N 3.11Å; Q5-S7 PolarHBondContact O-N 3.36Å; Q5-T8 WeakPolarHBondContact CA-OG1 3.4Å; Q5-T8 PolarHBondContact O-N 3.35Å; Q5-T8 PolarHBondContact O-OG1 3Å; Q5-H9 WeakPolarHBondContact O-CB 3.41Å; Q5-H9 PolarHBondContact O-CD2 3.33Å; Q5-H9 VanDerWaalsContact O-CD2 3.3Å; Q5-H9 PolarHBondContact O-N 3.14Å |
| 6 | I | 44.6 | Very low | 50.1 | Low | 115 Ų | 115 | 113.6 Ų | 113.6 | 59% | 0.59 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.1 | -42.3 | 176.7 | -66.9 | 164.5 | 0 | 0 | 0 | 111.2 | R2 N3 T8 G10 | R2-I6 WeakPolarHBondContact O-CG1 3.27Å; R2-I6 PolarHBondContact O-N 2.74Å; N3-I6 PolarHBondContact O-N 2.69Å; I6-T8 PolarHBondContact O-N 3.45Å; I6-G10 PolarHBondContact O-N 3.48Å |
| 7 | S | 45.4 | Very low | 51.3 | Low | 55 Ų | 55 | 111 Ų | 111 | 39% | 0.385 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -40.3 | 176.3 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | N3 L4 Q5 G10 N11 | N3-S7 PolarHBondContact O-N 2.74Å; L4-S7 PolarHBondContact O-N 2.87Å; L4-S7 PolarHBondContact O-OG 2.8Å; Q5-S7 PolarHBondContact O-N 3.36Å; S7-G10 PolarHBondContact O-N 3.2Å; S7-N11 WeakPolarHBondContact O-CB 3.35Å; S7-N11 PolarHBondContact O-N 3.34Å |
| 8 | T | 46.8 | Very low | 52.7 | Low | 75 Ų | 75 | 109.3 Ų | 109.3 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.2 | -37 | 179 | 48 | 0 | 0 | 0 | 0 | 112.7 | L4 Q5 I6 K12 | L4-T8 PolarHBondContact O-N 3.43Å; L4-T8 PolarHBondContact O-OG1 3.13Å; Q5-T8 WeakPolarHBondContact CA-OG1 3.4Å; Q5-T8 PolarHBondContact O-N 3.35Å; Q5-T8 PolarHBondContact O-OG1 3Å; I6-T8 PolarHBondContact O-N 3.45Å; T8-K12 WeakPolarHBondContact O-CB 3.32Å; T8-K12 WeakPolarHBondContact O-CG 3.48Å; T8-K12 PolarHBondContact O-N 2.99Å |
| 9 | H | 44.8 | Very low | 54.3 | Low | 132 Ų | 132 | 111.7 Ų | 111.7 | 61% | 0.611 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -41.1 | 170.5 | -86.4 | -92.5 | 0 | 0 | 0 | 112.5 | Q5 K12 S13 | Q5-H9 WeakPolarHBondContact O-CB 3.41Å; Q5-H9 PolarHBondContact O-CD2 3.33Å; Q5-H9 VanDerWaalsContact O-CD2 3.3Å; Q5-H9 PolarHBondContact O-N 3.14Å; H9-K12 PolarHBondContact O-N 3.48Å; H9-S13 PolarHBondContact O-N 3.17Å; H9-S13 PolarHBondContact O-OG 3.45Å |
| 10 | G | 52.8 | Low | 55.6 | Low | 30 Ų | 30 | 113.5 Ų | 113.5 | 31% | 0.309 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.4 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | I6 S7 S13 R14 | I6-G10 PolarHBondContact O-N 3.48Å; S7-G10 PolarHBondContact O-N 3.2Å; G10-S13 PolarHBondContact O-OG 3.4Å; G10-S13 VanDerWaalsContact O-OG 3.06Å; G10-R14 WeakPolarHBondContact O-CB 3.12Å; G10-R14 PolarHBondContact O-N 3.33Å; G10-R14 VanDerWaalsContact O-N 3.12Å |
| 11 | N | 56.1 | Low | 57 | Low | 94 Ų | 94 | 108.5 Ų | 108.5 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.3 | -41.2 | 174.1 | -75.3 | -10.3 | 0 | 0 | 0 | 112 | S7 S13 R14 I15 | S7-N11 WeakPolarHBondContact O-CB 3.35Å; S7-N11 PolarHBondContact O-N 3.34Å; N11-S13 PolarHBondContact O-N 3.38Å; N11-R14 PolarHBondContact O-N 2.8Å; N11-I15 WeakPolarHBondContact O-CB 3.36Å; N11-I15 WeakPolarHBondContact O-CD1 3.31Å; N11-I15 VanDerWaalsContact O-CG1 3.26Å; N11-I15 WeakPolarHBondContact O-CG1 3.42Å; N11-I15 PolarHBondContact O-N 3.19Å |
| 12 | K | 56.9 | Low | 59.4 | Low | 144 Ų | 144 | 102 Ų | 102 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 173.5 | -79.5 | -177.5 | 176.8 | -178.4 | 0 | 112 | T8 H9 I15 C16 | T8-K12 WeakPolarHBondContact O-CB 3.32Å; T8-K12 WeakPolarHBondContact O-CG 3.48Å; T8-K12 PolarHBondContact O-N 2.99Å; H9-K12 PolarHBondContact O-N 3.48Å; K12-I15 PolarHBondContact O-N 3.22Å; K12-C16 WeakPolarHBondContact O-CB 3.35Å; K12-C16 PolarHBondContact O-N 3.47Å; K12-C16 PolarHBondContact O-SG 3.48Å; K12-C16 VanDerWaalsContact O-SG 3.33Å |
| 13 | S | 62.6 | Low | 62 | Low | 75 Ų | 75 | 98.8 Ų | 98.8 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 179.9 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | H9 G10 N11 R17 | H9-S13 PolarHBondContact O-N 3.17Å; H9-S13 PolarHBondContact O-OG 3.45Å; G10-S13 PolarHBondContact O-OG 3.4Å; G10-S13 VanDerWaalsContact O-OG 3.06Å; N11-S13 PolarHBondContact O-N 3.38Å; S13-R17 WeakPolarHBondContact O-CB 3.46Å; S13-R17 PolarHBondContact O-N 3.19Å |
| 14 | R | 64.9 | Low | 64.3 | Low | 142 Ų | 142 | 92.8 Ų | 92.8 | 54% | 0.536 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.4 | -50.4 | 171 | -83.7 | 178.8 | 155 | 170.9 | -8.1 | 112.3 | G10 N11 C16 R17 L18 D954 | G10-R14 WeakPolarHBondContact O-CB 3.12Å; G10-R14 PolarHBondContact O-N 3.33Å; G10-R14 VanDerWaalsContact O-N 3.12Å; N11-R14 PolarHBondContact O-N 2.8Å; R14-C16 PolarHBondContact O-N 3.2Å; R14-R17 PolarHBondContact O-N 2.73Å; R14-R17 VanDerWaalsContact O-N 3.13Å; R14-L18 WeakPolarHBondContact O-CB 3.3Å; R14-L18 VanDerWaalsContact O-CG 3.29Å; R14-L18 WeakPolarHBondContact O-CG 3.39Å; R14-L18 PolarHBondContact O-N 2.88Å; R14-D954 IonicContact CZ-OD2 2.79Å; R14-D954 IonicContact NE-OD2 3.48Å; R14-D954 IonicContact NH2-OD2 2.8Å; R14-D954 PolarHBondContact NH2-OD2 3.24Å |
| 15 | I | 69.5 | Low | 67 | Low | 110 Ų | 110 | 87.1 Ų | 87.1 | 56% | 0.564 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.6 | -45.5 | 178.9 | -68.2 | 163.9 | 0 | 0 | 0 | 111 | N11 K12 R17 L18 W19 | N11-I15 WeakPolarHBondContact O-CB 3.36Å; N11-I15 WeakPolarHBondContact O-CD1 3.31Å; N11-I15 VanDerWaalsContact O-CG1 3.26Å; N11-I15 WeakPolarHBondContact O-CG1 3.42Å; N11-I15 PolarHBondContact O-N 3.19Å; K12-I15 PolarHBondContact O-N 3.22Å; I15-R17 VanDerWaalsContact C-N 3.32Å; I15-R17 PolarHBondContact O-N 2.7Å; I15-L18 PolarHBondContact O-N 2.98Å; I15-W19 WeakPolarHBondContact O-CB 3.17Å; I15-W19 PolarHBondContact O-N 3.33Å |
| 16 | C | 71.7 | Confident | 69.4 | Low | 75 Ų | 75 | 83.4 Ų | 83.4 | 51% | 0.507 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.9 | -33.6 | 176.4 | -69 | 0 | 0 | 0 | 0 | 113.2 | K12 R14 K20 | K12-C16 WeakPolarHBondContact O-CB 3.35Å; K12-C16 PolarHBondContact O-N 3.47Å; K12-C16 PolarHBondContact O-SG 3.48Å; K12-C16 VanDerWaalsContact O-SG 3.33Å; R14-C16 PolarHBondContact O-N 3.2Å; C16-K20 WeakPolarHBondContact O-CG 3.4Å; C16-K20 PolarHBondContact O-N 3.16Å; C16-K20 VanDerWaalsContact O-N 3.16Å |
| 17 | R | 71.1 | Confident | 71.7 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.8 | -48.6 | 174 | -176.6 | 179.3 | 179.9 | 174.5 | 6 | 111.6 | S13 R14 I15 W19 K20 H21 D954 N958 | S13-R17 WeakPolarHBondContact O-CB 3.46Å; S13-R17 PolarHBondContact O-N 3.19Å; R14-R17 PolarHBondContact O-N 2.73Å; R14-R17 VanDerWaalsContact O-N 3.13Å; I15-R17 VanDerWaalsContact C-N 3.32Å; I15-R17 PolarHBondContact O-N 2.7Å; R17-W19 VanDerWaalsContact C-N 3.3Å; R17-W19 PolarHBondContact O-N 2.96Å; R17-K20 WeakPolarHBondContact O-CB 3.45Å; R17-K20 PolarHBondContact O-N 2.8Å; R17-K20 VanDerWaalsContact O-N 3.11Å; R17-H21 WeakPolarHBondContact CG-NE2 3.24Å; R17-H21 PolarHBondContact NE-CE1 3.36Å; R17-H21 PolarHBondContact NE-NE2 2.85Å; R17-H21 PolarHBondContact O-CD2 3.23Å; R17-H21 PolarHBondContact O-N 3.25Å; R17-D954 PolarHBondContact NH1-O 2.94Å; R17-N958 PolarHBondContact NH1-OD1 3.43Å; R17-N958 PolarHBondContact NH2-OD1 3.25Å |
| 18 | L | 76 | Confident | 73.9 | Confident | 81 Ų | 81 | 78.5 Ų | 78.5 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.4 | -43.3 | 177.4 | -69.7 | 166.4 | 0 | 0 | 0 | 111.1 | R14 I15 H21 Y22 M636 | R14-L18 WeakPolarHBondContact O-CB 3.3Å; R14-L18 VanDerWaalsContact O-CG 3.29Å; R14-L18 WeakPolarHBondContact O-CG 3.39Å; R14-L18 PolarHBondContact O-N 2.88Å; I15-L18 PolarHBondContact O-N 2.98Å; L18-H21 PolarHBondContact O-N 2.84Å; L18-Y22 VanDerWaalsContact O-CB 3.29Å; L18-Y22 WeakPolarHBondContact O-CB 3.13Å; L18-Y22 PolarHBondContact O-N 3.21Å; L18-M636 HydrophobicContact CB-CE 4.1Å; L18-M636 HydrophobicContact CD2-CE 3.72Å; L18-M636 HydrophobicContact CD2-SD 3.85Å |
| 19 | W | 82.5 | Confident | 75.9 | Confident | 155 Ų | 155 | 75 Ų | 75 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.3 | -36 | 176.3 | -166.5 | 79.7 | 0 | 0 | 0 | 113.1 | I15 R17 R23 | I15-W19 WeakPolarHBondContact O-CB 3.17Å; I15-W19 PolarHBondContact O-N 3.33Å; R17-W19 VanDerWaalsContact C-N 3.3Å; R17-W19 PolarHBondContact O-N 2.96Å; W19-R23 VanDerWaalsContact O-CB 3.24Å; W19-R23 WeakPolarHBondContact O-CB 3.18Å; W19-R23 PolarHBondContact O-N 3.49Å |
| 20 | K | 81.6 | Confident | 78.1 | Confident | 146 Ų | 146 | 74.4 Ų | 74.4 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 171.7 | -77.6 | 174.3 | 178.7 | -178.6 | 0 | 112.1 | C16 R17 R23 I24 | C16-K20 WeakPolarHBondContact O-CG 3.4Å; C16-K20 PolarHBondContact O-N 3.16Å; C16-K20 VanDerWaalsContact O-N 3.16Å; R17-K20 WeakPolarHBondContact O-CB 3.45Å; R17-K20 PolarHBondContact O-N 2.8Å; R17-K20 VanDerWaalsContact O-N 3.11Å; K20-R23 PolarHBondContact O-N 3.34Å; K20-I24 PolarHBondContact O-N 3.13Å; K20-I24 VanDerWaalsContact O-N 3.15Å |
| 21 | H | 84.8 | Confident | 79.8 | Confident | 9 Ų | 9 | 74 Ų | 74 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 176.9 | -74.9 | -149.7 | 0 | 0 | 0 | 110.6 | R17 L18 R23 I24 L25 | R17-H21 WeakPolarHBondContact CG-NE2 3.24Å; R17-H21 PolarHBondContact NE-CE1 3.36Å; R17-H21 PolarHBondContact NE-NE2 2.85Å; R17-H21 PolarHBondContact O-CD2 3.23Å; R17-H21 PolarHBondContact O-N 3.25Å; L18-H21 PolarHBondContact O-N 2.84Å; H21-R23 PolarHBondContact O-N 3.02Å; H21-I24 WeakPolarHBondContact O-CG2 3.32Å; H21-I24 PolarHBondContact O-N 3.3Å; H21-L25 WeakPolarHBondContact O-CG 3.47Å; H21-L25 PolarHBondContact O-N 3.16Å |
| 22 | Y | 88 | Confident | 81.2 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 176.9 | 178 | -114.1 | 0 | 0 | 0 | 112.5 | L18 I24 L25 L26 L639 A640 T643 | L18-Y22 VanDerWaalsContact O-CB 3.29Å; L18-Y22 WeakPolarHBondContact O-CB 3.13Å; L18-Y22 PolarHBondContact O-N 3.21Å; Y22-I24 VanDerWaalsContact C-N 3.34Å; Y22-I24 PolarHBondContact O-N 3.25Å; Y22-L25 PolarHBondContact O-N 3.44Å; Y22-L26 HydrophobicContact CD1-CD1 4.04Å; Y22-L26 HydrophobicContact CE1-CD1 3.59Å; Y22-L26 HydrophobicContact CE1-CG 4.33Å; Y22-L26 HydrophobicContact CE2-CD1 4.39Å; Y22-L26 HydrophobicContact CE2-CD2 4.44Å; Y22-L26 HydrophobicContact CE2-CG 4.26Å; Y22-L26 WeakPolarHBondContact O-CG 3.22Å; Y22-L26 PolarHBondContact O-N 2.99Å; Y22-L639 HydrophobicContact CE2-CB 4.32Å; Y22-A640 HydrophobicContact CE2-CB 4.43Å; Y22-T643 WeakPolarHBondContact OH-CB 3.38Å; Y22-T643 WeakPolarHBondContact OH-CG2 3.02Å; Y22-T643 PolarHBondContact OH-OG1 3.42Å |
| 23 | R | 89.4 | Confident | 82.5 | Confident | 139 Ų | 139 | 63.9 Ų | 63.9 | 53% | 0.525 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.5 | -29.8 | 178.3 | -173.2 | 175.8 | -179.9 | -169.8 | 1.3 | 113.8 | W19 K20 H21 W27 | W19-R23 VanDerWaalsContact O-CB 3.24Å; W19-R23 WeakPolarHBondContact O-CB 3.18Å; W19-R23 PolarHBondContact O-N 3.49Å; K20-R23 PolarHBondContact O-N 3.34Å; H21-R23 PolarHBondContact O-N 3.02Å; R23-W27 PolarHBondContact O-N 3.49Å |
| 24 | I | 88.4 | Confident | 83.5 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -82.3 | -32.5 | 174.2 | -167.7 | 75.2 | 0 | 0 | 0 | 112.2 | K20 H21 Y22 W27 K28 H980 L981 T984 L985 | K20-I24 PolarHBondContact O-N 3.13Å; K20-I24 VanDerWaalsContact O-N 3.15Å; H21-I24 WeakPolarHBondContact O-CG2 3.32Å; H21-I24 PolarHBondContact O-N 3.3Å; Y22-I24 VanDerWaalsContact C-N 3.34Å; Y22-I24 PolarHBondContact O-N 3.25Å; I24-W27 HydrophobicContact CD1-CB 4.39Å; I24-W27 HydrophobicContact CD1-CD2 4.01Å; I24-W27 HydrophobicContact CD1-CE3 3.45Å; I24-W27 VanDerWaalsContact CD1-CE3 3.45Å; I24-W27 HydrophobicContact CD1-CG 4.44Å; I24-W27 HydrophobicContact CD1-CZ3 4.03Å; I24-W27 HydrophobicContact CG1-CE3 4.19Å; I24-W27 WeakPolarHBondContact O-CB 3.34Å; I24-W27 PolarHBondContact O-N 1.9Å; I24-W27 VanDerWaalsContact O-N 3.13Å; I24-K28 PolarHBondContact O-N 2.88Å; I24-H980 WeakPolarHBondContact CD1-CE1 3.44Å; I24-L981 HydrophobicContact CG1-CD1 3.72Å; I24-T984 WeakPolarHBondContact CD1-OG1 3.3Å; I24-T984 WeakPolarHBondContact CG1-OG1 3.36Å; I24-L985 HydrophobicContact CG2-CD2 3.49Å; I24-L985 VanDerWaalsContact CG2-CD2 3.49Å; I24-L985 HydrophobicContact CG2-CG 4Å |
| 25 | L | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 170.1 | -69.5 | 169 | 0 | 0 | 0 | 111.4 | H21 Y22 W27 K28 D29 L627 I632 M636 A640 | H21-L25 WeakPolarHBondContact O-CG 3.47Å; H21-L25 PolarHBondContact O-N 3.16Å; Y22-L25 PolarHBondContact O-N 3.44Å; L25-W27 PolarHBondContact O-N 3.14Å; L25-K28 VanDerWaalsContact CD2-CE 3.45Å; L25-K28 WeakPolarHBondContact O-CB 3.48Å; L25-K28 PolarHBondContact O-N 3.42Å; L25-K28 VanDerWaalsContact O-N 3.1Å; L25-D29 PolarHBondContact O-N 2.78Å; L25-L627 HydrophobicContact CD2-CD1 4.23Å; L25-I632 HydrophobicContact CD1-CG2 3.74Å; L25-I632 HydrophobicContact CD2-CD1 4.37Å; L25-M636 HydrophobicContact CD1-CB 4.24Å; L25-A640 HydrophobicContact CB-CB 3.73Å |
| 26 | L | 90.4 | Very high | 84.6 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.9 | -35.9 | 171.5 | -75.3 | 175.6 | 0 | 0 | 0 | 113.1 | Y22 Y30 T643 I644 | Y22-L26 HydrophobicContact CD1-CD1 4.04Å; Y22-L26 HydrophobicContact CE1-CD1 3.59Å; Y22-L26 HydrophobicContact CE1-CG 4.33Å; Y22-L26 HydrophobicContact CE2-CD1 4.39Å; Y22-L26 HydrophobicContact CE2-CD2 4.44Å; Y22-L26 HydrophobicContact CE2-CG 4.26Å; Y22-L26 WeakPolarHBondContact O-CG 3.22Å; Y22-L26 PolarHBondContact O-N 2.99Å; L26-Y30 WeakPolarHBondContact O-CB 3.47Å; L26-Y30 PolarHBondContact O-N 3.22Å; L26-Y30 VanDerWaalsContact O-N 3.09Å; L26-T643 WeakPolarHBondContact CD2-OG1 3.13Å; L26-I644 HydrophobicContact CD2-CD1 4.16Å; L26-I644 HydrophobicContact CD2-CG1 3.66Å; L26-I644 VanDerWaalsContact O-CD1 3.29Å; L26-I644 WeakPolarHBondContact O-CD1 3.31Å |
| 27 | W | 91.9 | Very high | 84.9 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 25% | 0.254 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.4 | -39.3 | 177.3 | 174.9 | 81.9 | 0 | 0 | 0 | 112.4 | R23 I24 L25 L31 E977 H980 L981 | R23-W27 PolarHBondContact O-N 3.49Å; I24-W27 HydrophobicContact CD1-CB 4.39Å; I24-W27 HydrophobicContact CD1-CD2 4.01Å; I24-W27 HydrophobicContact CD1-CE3 3.45Å; I24-W27 VanDerWaalsContact CD1-CE3 3.45Å; I24-W27 HydrophobicContact CD1-CG 4.44Å; I24-W27 HydrophobicContact CD1-CZ3 4.03Å; I24-W27 HydrophobicContact CG1-CE3 4.19Å; I24-W27 WeakPolarHBondContact O-CB 3.34Å; I24-W27 PolarHBondContact O-N 1.9Å; I24-W27 VanDerWaalsContact O-N 3.13Å; L25-W27 PolarHBondContact O-N 3.14Å; W27-L31 HydrophobicContact CD2-CD1 4Å; W27-L31 VanDerWaalsContact CE2-CD1 3.47Å; W27-L31 HydrophobicContact CE3-CD1 4.38Å; W27-L31 HydrophobicContact CH2-CD1 3.88Å; W27-L31 HydrophobicContact CZ2-CD1 3.42Å; W27-L31 VanDerWaalsContact CZ2-CD1 3.42Å; W27-L31 HydrophobicContact CZ3-CD1 4.33Å; W27-L31 WeakPolarHBondContact O-CG 3.42Å; W27-L31 PolarHBondContact O-N 3.32Å; W27-L31 VanDerWaalsContact O-N 3.14Å; W27-E977 HydrophobicContact CH2-CB 4.25Å; W27-E977 HydrophobicContact CH2-CG 4.16Å; W27-H980 AromaticContact CD2-CE1 3.68Å; W27-H980 AromaticContact CE2-CE1 3.65Å; W27-H980 AromaticContact CE3-CE1 3.83Å; W27-H980 HydrophobicContact CH2-CB 4.48Å; W27-H980 AromaticContact CH2-CE1 3.94Å; W27-H980 AromaticContact CH2-ND1 3.26Å; W27-H980 VanDerWaalsContact CH2-ND1 3.26Å; W27-H980 WeakPolarHBondContact CH2-ND1 3.37Å; W27-H980 AromaticContact CZ2-CE1 3.79Å; W27-H980 AromaticContact CZ2-ND1 3.75Å; W27-H980 AromaticContact CZ3-CE1 3.96Å; W27-H980 AromaticContact CZ3-ND1 3.42Å; W27-H980 WeakPolarHBondContact CZ3-ND1 3.41Å; W27-L981 HydrophobicContact CZ3-CB 4.39Å |
| 28 | K | 91 | Very high | 85.1 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.6 | -59.6 | 169 | 164.2 | -177.2 | 67 | 87.8 | 0 | 110.2 | I24 L25 Y30 L31 L32 E618 N637 Y970 L981 | I24-K28 PolarHBondContact O-N 2.88Å; L25-K28 VanDerWaalsContact CD2-CE 3.45Å; L25-K28 WeakPolarHBondContact O-CB 3.48Å; L25-K28 PolarHBondContact O-N 3.42Å; L25-K28 VanDerWaalsContact O-N 3.1Å; K28-Y30 VanDerWaalsContact C-N 3.3Å; K28-Y30 PolarHBondContact O-N 3.28Å; K28-L31 PolarHBondContact O-N 3.36Å; K28-L32 HydrophobicContact CD-CD1 4.3Å; K28-L32 HydrophobicContact CG-CD1 3.72Å; K28-L32 HydrophobicContact CG-CG 4.25Å; K28-L32 WeakPolarHBondContact O-CG 2.67Å; K28-L32 PolarHBondContact O-N 3.34Å; K28-E618 IonicContact NZ-OE1 3.74Å; K28-E618 PolarHBondContact NZ-OE1 3.35Å; K28-E618 IonicContact NZ-OE2 2.67Å; K28-E618 PolarHBondContact NZ-OE2 2.96Å; K28-N637 PolarHBondContact NZ-OD1 3.41Å; K28-Y970 HydrophobicContact CD-CE1 3.98Å; K28-Y970 HydrophobicContact CD-CE2 4.24Å; K28-Y970 WeakPolarHBondContact CD-OH 3.41Å; K28-L981 HydrophobicContact CB-CD1 4.43Å; K28-L981 HydrophobicContact CD-CD2 4.5Å |
| 29 | D | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -34.8 | -169.1 | -63.3 | -25.4 | 0 | 0 | 0 | 111.5 | L25 L32 R33 A640 W641 I644 | L25-D29 PolarHBondContact O-N 2.78Å; D29-L32 PolarHBondContact O-N 2.94Å; D29-R33 WeakPolarHBondContact O-CB 3.11Å; D29-R33 PolarHBondContact O-N 3.17Å; D29-A640 WeakPolarHBondContact OD2-CB 3.46Å; D29-W641 HydrophobicContact CB-CD2 4.15Å; D29-W641 HydrophobicContact CB-CE3 4.11Å; D29-W641 HydrophobicContact CB-CH2 4.16Å; D29-W641 HydrophobicContact CB-CZ2 4.22Å; D29-W641 HydrophobicContact CB-CZ3 4.11Å; D29-W641 VanDerWaalsContact OD1-CE2 3.27Å; D29-W641 VanDerWaalsContact OD1-CZ2 3.3Å; D29-W641 WeakPolarHBondContact OD1-CZ2 3.37Å; D29-W641 PolarHBondContact OD1-NE1 3.31Å; D29-I644 HydrophobicContact CB-CD1 3.46Å; D29-I644 VanDerWaalsContact CB-CD1 3.46Å |
| 30 | Y | 89.5 | Confident | 85 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 48% | 0.475 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 171.4 | 177.2 | -104.8 | 0 | 0 | 0 | 112.2 | L26 K28 R34 | L26-Y30 WeakPolarHBondContact O-CB 3.47Å; L26-Y30 PolarHBondContact O-N 3.22Å; L26-Y30 VanDerWaalsContact O-N 3.09Å; K28-Y30 VanDerWaalsContact C-N 3.3Å; K28-Y30 PolarHBondContact O-N 3.28Å; Y30-R34 WeakPolarHBondContact O-CB 3.49Å; Y30-R34 PolarHBondContact O-N 3Å |
| 31 | L | 88.8 | Confident | 85 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 177.4 | -75.4 | 179.5 | 0 | 0 | 0 | 112.4 | W27 K28 R34 R35 | W27-L31 HydrophobicContact CD2-CD1 4Å; W27-L31 VanDerWaalsContact CE2-CD1 3.47Å; W27-L31 HydrophobicContact CE3-CD1 4.38Å; W27-L31 HydrophobicContact CH2-CD1 3.88Å; W27-L31 HydrophobicContact CZ2-CD1 3.42Å; W27-L31 VanDerWaalsContact CZ2-CD1 3.42Å; W27-L31 HydrophobicContact CZ3-CD1 4.33Å; W27-L31 WeakPolarHBondContact O-CG 3.42Å; W27-L31 PolarHBondContact O-N 3.32Å; W27-L31 VanDerWaalsContact O-N 3.14Å; K28-L31 PolarHBondContact O-N 3.36Å; L31-R34 PolarHBondContact O-N 3.4Å; L31-R35 WeakPolarHBondContact O-CB 3.27Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 3.41Å |
| 32 | L | 85.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 176.1 | -67.9 | 177.4 | 0 | 0 | 0 | 111.1 | K28 D29 W641 Y970 T972 L973 | K28-L32 HydrophobicContact CD-CD1 4.3Å; K28-L32 HydrophobicContact CG-CD1 3.72Å; K28-L32 HydrophobicContact CG-CG 4.25Å; K28-L32 WeakPolarHBondContact O-CG 2.67Å; K28-L32 PolarHBondContact O-N 3.34Å; D29-L32 PolarHBondContact O-N 2.94Å; L32-W641 HydrophobicContact CB-CH2 4.03Å; L32-W641 HydrophobicContact CD1-CH2 4.17Å; L32-W641 HydrophobicContact CD1-CZ2 3.87Å; L32-Y970 HydrophobicContact CD1-CD1 4.24Å; L32-Y970 HydrophobicContact CD1-CE1 4.14Å; L32-Y970 HydrophobicContact CD2-CD1 4.3Å; L32-T972 WeakPolarHBondContact CD2-OG1 3.47Å; L32-L973 HydrophobicContact CD2-CD2 4.36Å; L32-L973 HydrophobicContact CD2-CG 4.41Å |
| 33 | R | 84 | Confident | 84.2 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 176.3 | -153.3 | -178 | -167.6 | 134.3 | -1 | 111.4 | D29 R35 G36 I40 E43 Y614 S645 | D29-R33 WeakPolarHBondContact O-CB 3.11Å; D29-R33 PolarHBondContact O-N 3.17Å; R33-R35 VanDerWaalsContact C-N 3.29Å; R33-R35 PolarHBondContact O-N 2.87Å; R33-G36 CarbonylContact O-C 3.46Å; R33-G36 WeakPolarHBondContact O-CA 3.32Å; R33-G36 PolarHBondContact O-N 3.44Å; R33-I40 HydrophobicContact CG-CD1 4.12Å; R33-I40 HydrophobicContact CG-CG1 4.09Å; R33-I40 WeakPolarHBondContact O-CD1 3.5Å; R33-E43 IonicContact CZ-OE1 2.71Å; R33-E43 IonicContact CZ-OE2 3.2Å; R33-E43 IonicContact NE-OE2 3.55Å; R33-E43 PolarHBondContact NE-OE2 2.87Å; R33-E43 IonicContact NH2-OE1 3.88Å; R33-E43 PolarHBondContact NH2-OE1 3.05Å; R33-E43 IonicContact NH2-OE2 2.84Å; R33-E43 PolarHBondContact NH2-OE2 2.93Å; R33-Y614 HydrophobicContact CG-CE2 4.1Å; R33-S645 PolarHBondContact NH1-OG 3.16Å |
| 34 | R | 84.8 | Confident | 83.9 | Confident | 148 Ų | 148 | 53.9 Ų | 53.9 | 56% | 0.558 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.8 | -34.5 | 179.9 | -176.2 | 178.2 | 177.4 | -166.9 | -0.3 | 113 | Y30 L31 G36 F37 | Y30-R34 WeakPolarHBondContact O-CB 3.49Å; Y30-R34 PolarHBondContact O-N 3Å; L31-R34 PolarHBondContact O-N 3.4Å; R34-G36 VanDerWaalsContact C-N 3.25Å; R34-G36 PolarHBondContact O-N 3.44Å; R34-F37 PolarHBondContact O-N 3.23Å |
| 35 | R | 83.4 | Confident | 83.6 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.6 | -20.8 | 174.1 | -77.1 | -174.8 | 171.4 | 135 | 15.2 | 113.3 | L31 R33 F37 T972 E977 | L31-R35 WeakPolarHBondContact O-CB 3.27Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 3.41Å; R33-R35 VanDerWaalsContact C-N 3.29Å; R33-R35 PolarHBondContact O-N 2.87Å; R35-F37 PolarHBondContact O-N 3.41Å; R35-T972 WeakPolarHBondContact CD-O 3.29Å; R35-T972 PolarHBondContact NH1-O 3.18Å; R35-E977 IonicContact CZ-OE1 3.15Å; R35-E977 IonicContact CZ-OE2 2.63Å; R35-E977 IonicContact NH1-OE1 2.77Å; R35-E977 IonicContact NH1-OE2 3.22Å; R35-E977 PolarHBondContact NH1-OE2 3.34Å; R35-E977 IonicContact NH2-OE1 2.88Å; R35-E977 PolarHBondContact NH2-OE1 2.94Å; R35-E977 IonicContact NH2-OE2 3.68Å; R35-E977 PolarHBondContact NH2-OE2 3.47Å |
| 36 | G | 73.9 | Confident | 83.2 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 43.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R33 R34 W38 L39 I40 | R33-G36 CarbonylContact O-C 3.46Å; R33-G36 WeakPolarHBondContact O-CA 3.32Å; R33-G36 PolarHBondContact O-N 3.44Å; R34-G36 VanDerWaalsContact C-N 3.25Å; R34-G36 PolarHBondContact O-N 3.44Å; G36-W38 VanDerWaalsContact C-N 3.33Å; G36-W38 PolarHBondContact O-N 3.11Å; G36-L39 WeakPolarHBondContact O-CA 3.47Å; G36-L39 VanDerWaalsContact O-CB 3.3Å; G36-L39 WeakPolarHBondContact O-CB 3.33Å; G36-L39 PolarHBondContact O-N 3.48Å; G36-I40 PolarHBondContact O-N 3.14Å |
| 37 | F | 77.5 | Confident | 82.8 | Confident | 122 Ų | 122 | 60.7 Ų | 60.7 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -46.8 | -49.5 | -172 | 177.1 | -103.6 | 0 | 0 | 0 | 114.1 | R34 R35 L39 I40 V41 | R34-F37 PolarHBondContact O-N 3.23Å; R35-F37 PolarHBondContact O-N 3.41Å; F37-L39 PolarHBondContact O-N 2.69Å; F37-I40 PolarHBondContact O-N 3.38Å; F37-I40 VanDerWaalsContact O-N 3.09Å; F37-V41 HydrophobicContact CD1-CG2 4.21Å; F37-V41 HydrophobicContact CE1-CG2 3.76Å; F37-V41 HydrophobicContact CE2-CG2 4.09Å; F37-V41 HydrophobicContact CZ-CG2 3.69Å; F37-V41 WeakPolarHBondContact O-CG2 3.32Å; F37-V41 PolarHBondContact O-N 2.88Å |
| 38 | W | 76.6 | Confident | 82.4 | Confident | 208 Ų | 208 | 59.2 Ų | 59.2 | 79% | 0.788 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.7 | -28.5 | 177.9 | -65.8 | 112.8 | 0 | 0 | 0 | 114 | G36 A42 | G36-W38 VanDerWaalsContact C-N 3.33Å; G36-W38 PolarHBondContact O-N 3.11Å; W38-A42 WeakPolarHBondContact O-CB 3.45Å; W38-A42 PolarHBondContact O-N 3.07Å |
| 39 | L | 76.3 | Confident | 82.1 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.9 | -37.7 | 176.1 | -55.9 | 174.9 | 0 | 0 | 0 | 111.3 | G36 F37 A42 E43 L610 | G36-L39 WeakPolarHBondContact O-CA 3.47Å; G36-L39 VanDerWaalsContact O-CB 3.3Å; G36-L39 WeakPolarHBondContact O-CB 3.33Å; G36-L39 PolarHBondContact O-N 3.48Å; F37-L39 PolarHBondContact O-N 2.69Å; L39-A42 PolarHBondContact O-N 2.68Å; L39-E43 VanDerWaalsContact O-CB 3.24Å; L39-E43 WeakPolarHBondContact O-CB 3.29Å; L39-E43 PolarHBondContact O-N 3.11Å; L39-L610 HydrophobicContact CB-CD1 4.17Å; L39-L610 HydrophobicContact CB-CD2 4.24Å; L39-L610 HydrophobicContact CD1-CD2 4.2Å; L39-L610 HydrophobicContact CD2-CD2 4.23Å; L39-L610 HydrophobicContact CG-CD2 4.46Å |
| 40 | I | 79 | Confident | 81.7 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 172.7 | -63.1 | 173 | 0 | 0 | 0 | 110.6 | R33 G36 F37 E43 S44 | R33-I40 HydrophobicContact CG-CD1 4.12Å; R33-I40 HydrophobicContact CG-CG1 4.09Å; R33-I40 WeakPolarHBondContact O-CD1 3.5Å; G36-I40 PolarHBondContact O-N 3.14Å; F37-I40 PolarHBondContact O-N 3.38Å; F37-I40 VanDerWaalsContact O-N 3.09Å; I40-E43 PolarHBondContact O-N 3.12Å; I40-S44 WeakPolarHBondContact O-CB 3.42Å; I40-S44 PolarHBondContact O-N 2.98Å |
| 41 | V | 81.3 | Confident | 81.3 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 38% | 0.376 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | F37 S44 F45 | F37-V41 HydrophobicContact CD1-CG2 4.21Å; F37-V41 HydrophobicContact CE1-CG2 3.76Å; F37-V41 HydrophobicContact CE2-CG2 4.09Å; F37-V41 HydrophobicContact CZ-CG2 3.69Å; F37-V41 WeakPolarHBondContact O-CG2 3.32Å; F37-V41 PolarHBondContact O-N 2.88Å; V41-S44 PolarHBondContact O-N 3.17Å; V41-F45 VanDerWaalsContact O-CB 3.27Å; V41-F45 WeakPolarHBondContact O-CB 3.24Å; V41-F45 PolarHBondContact O-N 3.15Å |
| 42 | A | 75.6 | Confident | 81.1 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | W38 L39 F46 | W38-A42 WeakPolarHBondContact O-CB 3.45Å; W38-A42 PolarHBondContact O-N 3.07Å; L39-A42 PolarHBondContact O-N 2.68Å; A42-F46 VanDerWaalsContact O-CB 3.28Å; A42-F46 WeakPolarHBondContact O-CB 3.37Å; A42-F46 PolarHBondContact O-N 2.77Å |
| 43 | E | 80.9 | Confident | 81 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -49 | 176.4 | -173.3 | 175.2 | -174.8 | 0 | 0 | 111.5 | R33 L39 I40 V47 I606 S607 L610 L648 | R33-E43 IonicContact CZ-OE1 2.71Å; R33-E43 IonicContact CZ-OE2 3.2Å; R33-E43 IonicContact NE-OE2 3.55Å; R33-E43 PolarHBondContact NE-OE2 2.87Å; R33-E43 IonicContact NH2-OE1 3.88Å; R33-E43 PolarHBondContact NH2-OE1 3.05Å; R33-E43 IonicContact NH2-OE2 2.84Å; R33-E43 PolarHBondContact NH2-OE2 2.93Å; L39-E43 VanDerWaalsContact O-CB 3.24Å; L39-E43 WeakPolarHBondContact O-CB 3.29Å; L39-E43 PolarHBondContact O-N 3.11Å; I40-E43 PolarHBondContact O-N 3.12Å; E43-V47 VanDerWaalsContact O-CG2 3.28Å; E43-V47 WeakPolarHBondContact O-CG2 3.25Å; E43-V47 PolarHBondContact O-N 3.03Å; E43-I606 HydrophobicContact CB-CG2 4.34Å; E43-S607 WeakPolarHBondContact CG-OG 3.39Å; E43-S607 VanDerWaalsContact OE1-CA 3.3Å; E43-S607 WeakPolarHBondContact OE1-CA 3.42Å; E43-S607 WeakPolarHBondContact OE1-CB 3.44Å; E43-S607 PolarHBondContact OE1-OG 3Å; E43-L610 HydrophobicContact CB-CD1 3.99Å; E43-L610 HydrophobicContact CG-CD1 4.36Å; E43-L648 WeakPolarHBondContact OE2-CD2 3.32Å |
| 44 | S | 82.9 | Confident | 80.9 | Confident | 41 Ų | 41 | 63.4 Ų | 63.4 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.4 | -48 | 177.5 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | I40 V41 F46 V47 L48 | I40-S44 WeakPolarHBondContact O-CB 3.42Å; I40-S44 PolarHBondContact O-N 2.98Å; V41-S44 PolarHBondContact O-N 3.17Å; S44-F46 PolarHBondContact O-N 3.07Å; S44-V47 PolarHBondContact O-N 2.9Å; S44-L48 WeakPolarHBondContact O-CG 3.38Å; S44-L48 PolarHBondContact O-N 3.37Å |
| 45 | F | 83.3 | Confident | 80.8 | Confident | 133 Ų | 133 | 56.9 Ų | 56.9 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | -178.3 | -179.9 | -102.6 | 0 | 0 | 0 | 112.4 | V41 L48 I49 | V41-F45 VanDerWaalsContact O-CB 3.27Å; V41-F45 WeakPolarHBondContact O-CB 3.24Å; V41-F45 PolarHBondContact O-N 3.15Å; F45-L48 PolarHBondContact O-N 3.36Å; F45-I49 HydrophobicContact CE1-CD1 3.89Å; F45-I49 HydrophobicContact CZ-CD1 3.92Å; F45-I49 HydrophobicContact CZ-CG1 4.47Å; F45-I49 WeakPolarHBondContact O-CB 3.3Å; F45-I49 PolarHBondContact O-N 3.43Å |
| 46 | F | 81.8 | Confident | 80.8 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 26% | 0.263 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.8 | -31.9 | -178.7 | -172.2 | -95 | 0 | 0 | 0 | 113.4 | A42 S44 F50 L602 I605 I606 | A42-F46 VanDerWaalsContact O-CB 3.28Å; A42-F46 WeakPolarHBondContact O-CB 3.37Å; A42-F46 PolarHBondContact O-N 2.77Å; S44-F46 PolarHBondContact O-N 3.07Å; F46-F50 HydrophobicContact CD1-CE2 4.44Å; F46-F50 HydrophobicContact CE1-CE2 4.06Å; F46-F50 HydrophobicContact CE2-CE2 4.13Å; F46-F50 HydrophobicContact CE2-CZ 4.17Å; F46-F50 AromaticContact CZ-CE2 3.89Å; F46-F50 HydrophobicContact CZ-CE2 3.89Å; F46-F50 HydrophobicContact CZ-CZ 4.09Å; F46-L602 WeakPolarHBondContact CE1-O 3.38Å; F46-I605 HydrophobicContact CE1-CB 4.45Å; F46-I606 HydrophobicContact CB-CD1 3.72Å; F46-I606 HydrophobicContact CB-CG1 4.42Å; F46-I606 HydrophobicContact CD1-CB 4.19Å; F46-I606 HydrophobicContact CD1-CD1 3.78Å; F46-I606 HydrophobicContact CD1-CG1 3.7Å; F46-I606 HydrophobicContact CD2-CD1 3.71Å; F46-I606 HydrophobicContact CD2-CG1 4.46Å; F46-I606 HydrophobicContact CE1-CD1 4.3Å; F46-I606 HydrophobicContact CE1-CG1 4.01Å; F46-I606 HydrophobicContact CE2-CD1 4.25Å; F46-I606 HydrophobicContact CG-CD1 3.45Å; F46-I606 VanDerWaalsContact CG-CD1 3.45Å; F46-I606 HydrophobicContact CG-CG1 3.94Å |
| 47 | V | 80.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 173 | 170.5 | 0 | 0 | 0 | 0 | 111 | E43 S44 C603 W604 L652 I656 | E43-V47 VanDerWaalsContact O-CG2 3.28Å; E43-V47 WeakPolarHBondContact O-CG2 3.25Å; E43-V47 PolarHBondContact O-N 3.03Å; S44-V47 PolarHBondContact O-N 2.9Å; V47-C603 HydrophobicContact CG1-CB 4.48Å; V47-C603 VanDerWaalsContact CG2-O 3.27Å; V47-C603 WeakPolarHBondContact CG2-O 3.31Å; V47-C603 PolarHBondContact O-SG 3.37Å; V47-W604 HydrophobicContact CG1-CH2 4.4Å; V47-W604 HydrophobicContact CG1-CZ3 4.28Å; V47-W604 HydrophobicContact CG2-CE3 4.23Å; V47-W604 HydrophobicContact CG2-CZ3 4.32Å; V47-L652 HydrophobicContact CB-CD1 4.4Å; V47-L652 HydrophobicContact CG1-CB 4.09Å; V47-L652 HydrophobicContact CG1-CD1 4.44Å; V47-L652 HydrophobicContact CG2-CD1 4.25Å; V47-I656 HydrophobicContact CG1-CD1 3.71Å; V47-I656 HydrophobicContact CG1-CG1 4.48Å |
| 48 | L | 85 | Confident | 81.4 | Confident | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -85.9 | -31.2 | -174 | -66 | 172.3 | 0 | 0 | 0 | 114.7 | S44 F45 F50 V51 V52 I655 I659 | S44-L48 WeakPolarHBondContact O-CG 3.38Å; S44-L48 PolarHBondContact O-N 3.37Å; F45-L48 PolarHBondContact O-N 3.36Å; L48-F50 VanDerWaalsContact C-N 3.3Å; L48-F50 PolarHBondContact O-N 3.23Å; L48-V51 PolarHBondContact O-N 3.41Å; L48-V51 VanDerWaalsContact O-N 3.09Å; L48-V52 WeakPolarHBondContact O-CG2 3.41Å; L48-V52 PolarHBondContact O-N 3.26Å; L48-I655 HydrophobicContact CD2-CB 4.3Å; L48-I655 HydrophobicContact CD2-CG2 3.61Å; L48-I659 HydrophobicContact CD2-CD1 4.19Å |
| 49 | I | 84.3 | Confident | 81.5 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54 | -42.3 | -170.4 | -167.2 | 175.4 | 0 | 0 | 0 | 113.4 | F45 A53 | F45-I49 HydrophobicContact CE1-CD1 3.89Å; F45-I49 HydrophobicContact CZ-CD1 3.92Å; F45-I49 HydrophobicContact CZ-CG1 4.47Å; F45-I49 WeakPolarHBondContact O-CB 3.3Å; F45-I49 PolarHBondContact O-N 3.43Å; I49-A53 WeakPolarHBondContact O-CB 3.22Å; I49-A53 PolarHBondContact O-N 3.22Å |
| 50 | F | 81.4 | Confident | 81.5 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 23% | 0.228 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.6 | -40.1 | -179 | -59.6 | -70.7 | 0 | 0 | 0 | 112.4 | F46 L48 A53 I54 L599 | F46-F50 HydrophobicContact CD1-CE2 4.44Å; F46-F50 HydrophobicContact CE1-CE2 4.06Å; F46-F50 HydrophobicContact CE2-CE2 4.13Å; F46-F50 HydrophobicContact CE2-CZ 4.17Å; F46-F50 AromaticContact CZ-CE2 3.89Å; F46-F50 HydrophobicContact CZ-CE2 3.89Å; F46-F50 HydrophobicContact CZ-CZ 4.09Å; L48-F50 VanDerWaalsContact C-N 3.3Å; L48-F50 PolarHBondContact O-N 3.23Å; F50-A53 PolarHBondContact O-N 3.08Å; F50-I54 WeakPolarHBondContact O-CD1 3.48Å; F50-I54 VanDerWaalsContact O-CG1 3.31Å; F50-I54 WeakPolarHBondContact O-CG1 3.22Å; F50-I54 PolarHBondContact O-N 3.45Å; F50-L599 HydrophobicContact CB-CB 4.45Å; F50-L599 HydrophobicContact CD1-CD2 3.74Å; F50-L599 HydrophobicContact CE1-CD2 4.26Å; F50-L599 HydrophobicContact CG-CD2 4.28Å |
| 51 | V | 81.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.8 | -37.2 | -178.7 | -159 | 0 | 0 | 0 | 0 | 110.8 | L48 I54 A55 M600 I656 I659 L660 | L48-V51 PolarHBondContact O-N 3.41Å; L48-V51 VanDerWaalsContact O-N 3.09Å; V51-I54 PolarHBondContact O-N 3.46Å; V51-A55 WeakPolarHBondContact O-CB 3.31Å; V51-A55 PolarHBondContact O-N 3.09Å; V51-M600 HydrophobicContact CG2-CE 3.91Å; V51-I656 HydrophobicContact CG1-CG2 4.44Å; V51-I656 HydrophobicContact CG2-CG1 4.13Å; V51-I656 HydrophobicContact CG2-CG2 4.25Å; V51-I659 HydrophobicContact CB-CG2 4.48Å; V51-I659 HydrophobicContact CG1-CB 4.08Å; V51-I659 HydrophobicContact CG1-CG2 3.69Å; V51-L660 HydrophobicContact CG1-CD2 4.09Å; V51-L660 HydrophobicContact CG1-CG 4.22Å |
| 52 | V | 84.6 | Confident | 80.6 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L48 A55 F56 I659 | L48-V52 WeakPolarHBondContact O-CG2 3.41Å; L48-V52 PolarHBondContact O-N 3.26Å; V52-A55 PolarHBondContact O-N 3.08Å; V52-F56 PolarHBondContact O-N 3.05Å; V52-I659 HydrophobicContact CG2-CD1 4.33Å |
| 53 | A | 81.8 | Confident | 80.5 | Confident | 47 Ų | 47 | 64 Ų | 64 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | I49 F50 A55 F56 I57 | I49-A53 WeakPolarHBondContact O-CB 3.22Å; I49-A53 PolarHBondContact O-N 3.22Å; F50-A53 PolarHBondContact O-N 3.08Å; A53-A55 VanDerWaalsContact C-N 3.34Å; A53-A55 PolarHBondContact O-N 3.48Å; A53-F56 PolarHBondContact O-N 3.49Å; A53-I57 VanDerWaalsContact O-CG1 3.31Å; A53-I57 WeakPolarHBondContact O-CG1 3.37Å; A53-I57 PolarHBondContact O-N 3.26Å |
| 54 | I | 82.9 | Confident | 80.1 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 174.3 | -61.4 | 157.6 | 0 | 0 | 0 | 110.6 | F50 V51 F56 I57 R58 I592 L596 L599 I665 | F50-I54 WeakPolarHBondContact O-CD1 3.48Å; F50-I54 VanDerWaalsContact O-CG1 3.31Å; F50-I54 WeakPolarHBondContact O-CG1 3.22Å; F50-I54 PolarHBondContact O-N 3.45Å; V51-I54 PolarHBondContact O-N 3.46Å; I54-F56 VanDerWaalsContact C-N 3.29Å; I54-F56 PolarHBondContact O-N 3.34Å; I54-I57 PolarHBondContact O-N 2.7Å; I54-R58 WeakPolarHBondContact O-CB 3.49Å; I54-R58 PolarHBondContact O-N 2.79Å; I54-I592 HydrophobicContact CG2-CD1 4.34Å; I54-L596 HydrophobicContact CD1-CD1 3.65Å; I54-L599 HydrophobicContact CD1-CD1 3.85Å; I54-L599 HydrophobicContact CG1-CD1 4.26Å; I54-I665 HydrophobicContact CB-CD1 4.34Å; I54-I665 HydrophobicContact CG2-CD1 3.79Å; I54-I665 HydrophobicContact CG2-CG1 4.28Å; I54-I665 HydrophobicContact CG2-CG2 4.13Å |
| 55 | A | 83.3 | Confident | 79.7 | Confident | 11 Ų | 11 | 70 Ų | 70 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.9 | -34.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V51 V52 A53 R59 I659 C663 I665 | V51-A55 WeakPolarHBondContact O-CB 3.31Å; V51-A55 PolarHBondContact O-N 3.09Å; V52-A55 PolarHBondContact O-N 3.08Å; A53-A55 VanDerWaalsContact C-N 3.34Å; A53-A55 PolarHBondContact O-N 3.48Å; A55-R59 PolarHBondContact O-N 3.5Å; A55-I659 HydrophobicContact CB-CG2 4.08Å; A55-C663 HydrophobicContact CB-CB 3.85Å; A55-I665 HydrophobicContact CB-CD1 4.29Å |
| 56 | F | 82.8 | Confident | 79.4 | Confident | 123 Ų | 123 | 67.8 Ų | 67.8 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.2 | -39.5 | 173.7 | -170.7 | -97.4 | 0 | 0 | 0 | 112.3 | V52 A53 I54 R58 R59 | V52-F56 PolarHBondContact O-N 3.05Å; A53-F56 PolarHBondContact O-N 3.49Å; I54-F56 VanDerWaalsContact C-N 3.29Å; I54-F56 PolarHBondContact O-N 3.34Å; F56-R58 VanDerWaalsContact C-N 3.33Å; F56-R59 WeakPolarHBondContact O-CB 3.17Å; F56-R59 PolarHBondContact O-N 3.2Å |
| 57 | I | 83.1 | Confident | 79.4 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 174 | -62.1 | 162.5 | 0 | 0 | 0 | 110.4 | A53 I54 R59 R60 H61 L588 | A53-I57 VanDerWaalsContact O-CG1 3.31Å; A53-I57 WeakPolarHBondContact O-CG1 3.37Å; A53-I57 PolarHBondContact O-N 3.26Å; I54-I57 PolarHBondContact O-N 2.7Å; I57-R59 VanDerWaalsContact C-N 3.26Å; I57-R59 PolarHBondContact O-N 3.38Å; I57-R60 WeakPolarHBondContact O-CA 3.44Å; I57-R60 WeakPolarHBondContact O-CB 3.4Å; I57-R60 PolarHBondContact O-N 3.18Å; I57-H61 PolarHBondContact O-N 3.17Å; I57-H61 VanDerWaalsContact O-N 3.16Å; I57-L588 HydrophobicContact CB-CD1 4.39Å; I57-L588 HydrophobicContact CG2-CD1 3.87Å |
| 58 | R | 81 | Confident | 79.5 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -25.1 | 174.3 | -178.2 | 44.1 | 143.9 | -150.8 | -15.4 | 113.7 | I54 F56 R60 H61 D586 L588 C663 N664 I665 | I54-R58 WeakPolarHBondContact O-CB 3.49Å; I54-R58 PolarHBondContact O-N 2.79Å; F56-R58 VanDerWaalsContact C-N 3.33Å; R58-R60 PolarHBondContact O-N 3.45Å; R58-H61 VanDerWaalsContact CD-O 3.27Å; R58-H61 WeakPolarHBondContact CD-O 3.39Å; R58-H61 PolarHBondContact NH1-O 3.35Å; R58-D586 IonicContact CZ-OD1 3.73Å; R58-D586 IonicContact CZ-OD2 2.7Å; R58-D586 VanDerWaalsContact NH1-CG 3.3Å; R58-D586 IonicContact NH1-OD1 3.45Å; R58-D586 PolarHBondContact NH1-OD1 3.37Å; R58-D586 IonicContact NH1-OD2 2.7Å; R58-D586 PolarHBondContact NH1-OD2 3.25Å; R58-D586 IonicContact NH2-OD1 2.91Å; R58-D586 IonicContact NH2-OD2 3.48Å; R58-D586 PolarHBondContact NH2-OD2 2.92Å; R58-L588 VanDerWaalsContact CA-CD1 3.49Å; R58-L588 HydrophobicContact CB-CD1 3.82Å; R58-C663 VanDerWaalsContact CG-O 3.22Å; R58-C663 WeakPolarHBondContact CG-O 3.42Å; R58-N664 VanDerWaalsContact CZ-O 3.3Å; R58-N664 PolarHBondContact NE-O 2.81Å; R58-N664 PolarHBondContact NH2-O 3.43Å; R58-I665 HydrophobicContact CB-CG1 4.47Å; R58-I665 HydrophobicContact CG-CG1 4.36Å |
| 59 | R | 78.6 | Confident | 79.5 | Confident | 214 Ų | 214 | 67.7 Ų | 67.7 | 81% | 0.808 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.4 | 168.8 | -69.9 | 179.4 | 176.3 | -165.6 | -2.3 | 114 | A55 F56 I57 | A55-R59 PolarHBondContact O-N 3.5Å; F56-R59 WeakPolarHBondContact O-CB 3.17Å; F56-R59 PolarHBondContact O-N 3.2Å; I57-R59 VanDerWaalsContact C-N 3.26Å; I57-R59 PolarHBondContact O-N 3.38Å |
| 60 | R | 76.8 | Confident | 79.6 | Confident | 168 Ų | 168 | 65 Ų | 65 | 63% | 0.634 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -27.8 | 173.8 | -60.7 | -177.2 | 173.7 | -157.8 | -6.5 | 113 | I57 R58 | I57-R60 WeakPolarHBondContact O-CA 3.44Å; I57-R60 WeakPolarHBondContact O-CB 3.4Å; I57-R60 PolarHBondContact O-N 3.18Å; R58-R60 PolarHBondContact O-N 3.45Å |
| 61 | H | 72.8 | Confident | 79.8 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 35% | 0.352 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -113.8 | 95.2 | -178.3 | -66.5 | -87.6 | 0 | 0 | 0 | 111.4 | I57 R58 L588 | I57-H61 PolarHBondContact O-N 3.17Å; I57-H61 VanDerWaalsContact O-N 3.16Å; R58-H61 VanDerWaalsContact CD-O 3.27Å; R58-H61 WeakPolarHBondContact CD-O 3.39Å; R58-H61 PolarHBondContact NH1-O 3.35Å; H61-L588 HydrophobicContact CB-CB 3.8Å; H61-L588 HydrophobicContact CB-CD1 4.15Å |
| 62 | A | 69.1 | Low | 79.9 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 55% | 0.554 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 169.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 63 | I | 72.7 | Confident | 79.9 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -92 | 117.4 | 168.9 | -56.4 | 171.8 | 0 | 0 | 0 | 106.8 | Y584 | I63-Y584 HydrophobicContact CG2-CD1 4.12Š|
| 64 | D | 71.4 | Confident | 80.1 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 119 | -179.7 | -86.5 | 27.9 | 0 | 0 | 0 | 110.3 | K66 Y584 F585 | D64-K66 WeakPolarHBondContact OD2-CE 3.37Å; D64-K66 IonicContact OD2-NZ 3.63Å; D64-K66 PolarHBondContact OD2-NZ 3.39Å; D64-Y584 CarbonylContact O-C 2.98Å; D64-Y584 WeakPolarHBondContact O-CA 3.29Å; D64-F585 HydrophobicContact CB-CB 4.27Å; D64-F585 PolarHBondContact N-O 3.02Å; D64-F585 PolarHBondContact O-N 3.12Å |
| 65 | T | 75.5 | Confident | 80.3 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 63% | 0.632 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.7 | 163.5 | 45.3 | 0 | 0 | 0 | 0 | 110.2 | Y584 | T65-Y584 HydrophobicContact CG2-CD1 3.71Å; T65-Y584 HydrophobicContact CG2-CE1 3.52Å |
| 66 | K | 77.5 | Confident | 80.5 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.7 | 171.1 | -55.1 | -55.2 | -177.5 | -164.1 | 0 | 109.6 | D64 S582 Y583 | D64-K66 WeakPolarHBondContact OD2-CE 3.37Å; D64-K66 IonicContact OD2-NZ 3.63Å; D64-K66 PolarHBondContact OD2-NZ 3.39Å; K66-S582 VanDerWaalsContact O-CA 3.31Å; K66-S582 WeakPolarHBondContact O-CA 3.41Å; K66-S582 WeakPolarHBondContact O-CB 3.4Å; K66-Y583 HydrophobicContact CB-CD1 4.03Å; K66-Y583 HydrophobicContact CB-CE1 3.67Å; K66-Y583 HydrophobicContact CB-CE2 4.27Å; K66-Y583 HydrophobicContact CB-CG 4.47Å; K66-Y583 HydrophobicContact CG-CE1 4.22Å; K66-Y583 HydrophobicContact CG-CE2 4.01Å; K66-Y583 PolarHBondContact N-O 3.13Å; K66-Y583 PolarHBondContact O-N 3.47Å; K66-Y583 VanDerWaalsContact O-N 3.07Å |
| 67 | S | 81.2 | Confident | 80.6 | Confident | 53 Ų | 53 | 52 Ų | 52 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | trans | -70.5 | 174.3 | 175.1 | 40.8 | 0 | 0 | 0 | 0 | 111.9 | C69 E98 | S67-C69 PolarHBondContact O-N 3.1Å; S67-E98 WeakPolarHBondContact CB-OE1 3.34Å; S67-E98 PolarHBondContact OG-OE1 3.15Å | ||
| 68 | S | 81.7 | Confident | 80.6 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | trans | -58.4 | 134.8 | 173.7 | 41.5 | 0 | 0 | 0 | 0 | 110.7 | E98 T580 | S68-E98 WeakPolarHBondContact O-CA 3.4Å; S68-E98 PolarHBondContact OG-O 3.33Å; S68-T580 CarbonylContact C-O 3.51Å; S68-T580 WeakPolarHBondContact CA-O 3.13Å | ||
| 69 | C | 85.5 | Confident | 80.7 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -115.9 | 114.4 | -172.3 | -157 | 0 | 0 | 0 | 0 | 110.7 | S67 F71 C96 P579 T580 | S67-C69 PolarHBondContact O-N 3.1Å; C69-F71 HydrophobicContact CB-CZ 4.48Å; C69-F71 WeakPolarHBondContact SG-CZ 3.41Å; C69-C96 WeakPolarHBondContact CA-SG 3.13Å; C69-C96 HydrophobicContact CB-CB 4.48Å; C69-C96 WeakPolarHBondContact CB-SG 3.38Å; C69-C96 VanDerWaalsContact SG-CA 3.59Å; C69-C96 WeakPolarHBondContact SG-CB 3.35Å; C69-C96 CovalentContact SG-SG 2.03Å; C69-C96 PolarHBondContact SG-SG 2.85Å; C69-P579 CarbonylContact O-C 3.54Å; C69-P579 VanDerWaalsContact O-CA 3.24Å; C69-P579 WeakPolarHBondContact O-CA 3.37Å; C69-T580 VanDerWaalsContact CB-OG1 3.27Å; C69-T580 WeakPolarHBondContact CB-OG1 3.08Å; C69-T580 PolarHBondContact N-O 3.1Å; C69-T580 PolarHBondContact O-N 2.82Å |
| 70 | F | 86.1 | Confident | 80.7 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -111.3 | 153.9 | 170.5 | -59.4 | -97.8 | 0 | 0 | 0 | 110.2 | N97 E98 K99 D100 P579 L1431 | F70-N97 PolarHBondContact N-O 3.46Å; F70-N97 PolarHBondContact O-N 3.22Å; F70-E98 WeakPolarHBondContact CD2-O 3.46Å; F70-E98 VanDerWaalsContact CE2-O 3.31Å; F70-E98 WeakPolarHBondContact CE2-O 3.24Å; F70-K99 VanDerWaalsContact CD2-C 3.48Å; F70-D100 HydrophobicContact CB-CB 4.44Å; F70-D100 HydrophobicContact CD1-CB 3.52Å; F70-D100 WeakPolarHBondContact CD1-OD1 3.41Å; F70-D100 HydrophobicContact CE1-CB 3.87Å; F70-D100 HydrophobicContact CG-CB 4.09Å; F70-P579 HydrophobicContact CD1-CB 3.73Å; F70-P579 HydrophobicContact CE1-CB 4.02Å; F70-P579 HydrophobicContact CG-CB 4.35Å; F70-L1431 HydrophobicContact CE1-CD1 3.78Å; F70-L1431 HydrophobicContact CE2-CD1 4.36Å; F70-L1431 HydrophobicContact CZ-CD1 3.48Å; F70-L1431 VanDerWaalsContact CZ-CD1 3.48Å |
| 71 | F | 85.1 | Confident | 80.9 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | -124.7 | 137.2 | -173.9 | -64.5 | -71.8 | 0 | 0 | 0 | 111.6 | C69 P524 R526 K576 M577 | C69-F71 HydrophobicContact CB-CZ 4.48Å; C69-F71 WeakPolarHBondContact SG-CZ 3.41Å; F71-P524 HydrophobicContact CE2-CB 3.91Å; F71-P524 HydrophobicContact CZ-CB 3.7Å; F71-P524 HydrophobicContact CZ-CG 4.02Å; F71-R526 HydrophobicContact CE1-CB 4.2Å; F71-R526 HydrophobicContact CZ-CB 4.28Å; F71-K576 WeakPolarHBondContact O-CE 3.49Å; F71-M577 HydrophobicContact CB-CB 4.03Å; F71-M577 HydrophobicContact CD1-SD 4.3Å; F71-M577 HydrophobicContact CD2-CB 3.74Å; F71-M577 HydrophobicContact CD2-CG 3.73Å; F71-M577 HydrophobicContact CD2-SD 3.65Å; F71-M577 HydrophobicContact CE1-SD 4.26Å; F71-M577 HydrophobicContact CE2-CE 3.94Å; F71-M577 HydrophobicContact CE2-CG 4.04Å; F71-M577 HydrophobicContact CE2-SD 3.59Å; F71-M577 VanDerWaalsContact CE2-SD 3.59Å; F71-M577 HydrophobicContact CG-CB 4.02Å; F71-M577 HydrophobicContact CG-CG 4.35Å; F71-M577 HydrophobicContact CG-SD 4.01Å; F71-M577 HydrophobicContact CZ-CE 4.19Å; F71-M577 HydrophobicContact CZ-SD 3.91Å | ||
| 72 | Q | 83.8 | Confident | 81.1 | Confident | 21 Ų | 21 | 30 Ų | 30 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | trans | -68.2 | 135.7 | 172.1 | -179.5 | 65.9 | -18.9 | 0 | 0 | 110.2 | N91 P101 R102 F104 | Q72-N91 PolarHBondContact O-ND2 3.43Å; Q72-P101 HydrophobicContact CB-CG 4Å; Q72-R102 PolarHBondContact NE2-O 2.93Å; Q72-R102 PolarHBondContact OE1-O 2.95Å; Q72-R102 VanDerWaalsContact OE1-O 3.07Å; Q72-F104 HydrophobicContact CG-CD2 4.21Å; Q72-F104 HydrophobicContact CG-CE2 3.47Å; Q72-F104 VanDerWaalsContact CG-CE2 3.47Å; Q72-F104 HydrophobicContact CG-CZ 3.66Å | ||
| 73 | S | 84.7 | Confident | 81.5 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | trans | -67.8 | 148 | 177.6 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | F104 E574 M575 | S73-F104 WeakPolarHBondContact O-CE2 3.41Å; S73-E574 WeakPolarHBondContact CB-OE2 3.38Å; S73-E574 PolarHBondContact OG-OE2 2.98Å; S73-M575 WeakPolarHBondContact CA-O 3.38Å | ||
| 74 | Q | 86.2 | Confident | 82.1 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.9 | 177.2 | -73.8 | -168.6 | -25.7 | 0 | 0 | 110.4 | M76 N91 Y94 E574 M575 | Q74-M76 HydrophobicContact CB-CE 3.9Å; Q74-M76 WeakPolarHBondContact O-CE 3.13Å; Q74-M76 PolarHBondContact O-N 3.4Å; Q74-N91 WeakPolarHBondContact CG-ND2 3.4Å; Q74-N91 PolarHBondContact NE2-O 2.71Å; Q74-N91 VanDerWaalsContact NE2-O 3.13Å; Q74-Y94 PolarHBondContact NE2-OH 3.34Å; Q74-E574 CarbonylContact O-C 3.47Å; Q74-E574 VanDerWaalsContact O-CA 3.31Å; Q74-E574 WeakPolarHBondContact O-CA 3.26Å; Q74-M575 PolarHBondContact N-O 3.5Å; Q74-M575 PolarHBondContact O-N 3.38Å |
| 75 | S | 86.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 123.7 | 166 | -49.3 | 0 | 0 | 0 | 0 | 110.2 | N83 S87 R281 | S75-N83 WeakPolarHBondContact CB-O 3.47Å; S75-N83 PolarHBondContact OG-O 3.46Å; S75-S87 PolarHBondContact O-OG 2.76Å; S75-R281 PolarHBondContact O-NH2 3.48Å |
| 76 | M | 88.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -82.3 | 175.5 | 161.1 | -54.6 | -66.5 | 96.8 | 0 | 0 | 108.8 | Q74 S78 M79 F535 I540 E544 I573 M575 | Q74-M76 HydrophobicContact CB-CE 3.9Å; Q74-M76 WeakPolarHBondContact O-CE 3.13Å; Q74-M76 PolarHBondContact O-N 3.4Å; M76-S78 VanDerWaalsContact C-N 3.29Å; M76-S78 PolarHBondContact O-N 2.86Å; M76-M79 VanDerWaalsContact O-CB 3.26Å; M76-M79 WeakPolarHBondContact O-CB 3.34Å; M76-M79 PolarHBondContact O-N 3.07Å; M76-M79 VanDerWaalsContact O-N 3.15Å; M76-F535 HydrophobicContact CE-CE1 4.26Å; M76-I540 HydrophobicContact SD-CG2 3.56Å; M76-I540 VanDerWaalsContact SD-CG2 3.56Å; M76-E544 WeakPolarHBondContact CB-OE1 3.49Å; M76-E544 WeakPolarHBondContact CB-OE2 3.46Å; M76-I573 HydrophobicContact CB-CB 4.14Å; M76-I573 HydrophobicContact CB-CG2 4.42Å; M76-I573 WeakPolarHBondContact CB-O 3.43Å; M76-I573 HydrophobicContact CG-CB 4.13Å; M76-I573 HydrophobicContact CG-CG2 3.86Å; M76-I573 PolarHBondContact N-O 3.31Å; M76-M575 HydrophobicContact CE-CB 4.07Å; M76-M575 HydrophobicContact CE-CG 3.5Å; M76-M575 HydrophobicContact CG-CG 3.79Å; M76-M575 HydrophobicContact SD-CG 3.44Å; M76-M575 WeakPolarHBondContact SD-CG 3.41Å; M76-M575 HydrophobicContact SD-SD 4.47Å | ||
| 77 | S | 84.4 | Confident | 83.2 | Confident | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -69.3 | -26.8 | -171.1 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | M79 G80 Y309 E544 Q545 | S77-M79 PolarHBondContact O-N 3.1Å; S77-G80 PolarHBondContact O-N 3.29Å; S77-Y309 VanDerWaalsContact O-CZ 3.26Å; S77-Y309 PolarHBondContact O-OH 3.02Å; S77-E544 WeakPolarHBondContact CA-OE2 3.48Å; S77-E544 WeakPolarHBondContact CB-OE2 3.34Å; S77-E544 PolarHBondContact N-OE2 2.94Å; S77-E544 PolarHBondContact OG-OE2 3.3Å; S77-Q545 VanDerWaalsContact CB-NE2 3.28Å; S77-Q545 VanDerWaalsContact OG-CG 3.25Å; S77-Q545 WeakPolarHBondContact OG-CG 3.32Å; S77-Q545 PolarHBondContact OG-NE2 3.28Å |
| 78 | S | 84 | Confident | 83.4 | Confident | 12 Ų | 12 | 12.8 Ų | 12.8 | 8% | 0.084 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -64.5 | -15 | 172.2 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | M76 G80 E544 I571 I573 | M76-S78 VanDerWaalsContact C-N 3.29Å; M76-S78 PolarHBondContact O-N 2.86Å; S78-G80 PolarHBondContact O-N 3.41Å; S78-E544 WeakPolarHBondContact CB-OE1 3.38Å; S78-E544 PolarHBondContact N-OE1 3.19Å; S78-E544 PolarHBondContact N-OE2 2.88Å; S78-E544 PolarHBondContact OG-OE1 2.94Å; S78-I571 WeakPolarHBondContact CB-O 3.38Å; S78-I573 PolarHBondContact OG-N 3.48Å |
| 79 | M | 82.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -75.7 | 4.5 | 178.2 | -169.6 | 54.8 | 75.1 | 0 | 0 | 113.9 | M76 S77 N83 V105 E574 P1492 I1496 | M76-M79 VanDerWaalsContact O-CB 3.26Å; M76-M79 WeakPolarHBondContact O-CB 3.34Å; M76-M79 PolarHBondContact O-N 3.07Å; M76-M79 VanDerWaalsContact O-N 3.15Å; S77-M79 PolarHBondContact O-N 3.1Å; M79-N83 HydrophobicContact CG-CB 3.87Å; M79-V105 HydrophobicContact SD-CG2 3.97Å; M79-E574 HydrophobicContact CE-CB 3.89Å; M79-E574 HydrophobicContact CE-CG 3.93Å; M79-P1492 WeakPolarHBondContact O-CA 3.26Å; M79-P1492 HydrophobicContact SD-CB 4.39Å; M79-I1496 HydrophobicContact CE-CB 4.5Å; M79-I1496 HydrophobicContact CE-CD1 4.11Å; M79-I1496 HydrophobicContact CE-CG1 3.98Å; M79-I1496 HydrophobicContact CE-CG2 3.86Å; M79-I1496 HydrophobicContact SD-CD1 4.08Å; M79-I1496 HydrophobicContact SD-CG1 4.24Å |
| 80 | G | 78 | Confident | 83.2 | Confident | 2 Ų | 2 | 13 Ų | 13 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | trans | 88.7 | 143.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S77 S78 L82 N83 Y84 L1489 I1490 | S77-G80 PolarHBondContact O-N 3.29Å; S78-G80 PolarHBondContact O-N 3.41Å; G80-L82 VanDerWaalsContact C-N 3.29Å; G80-L82 PolarHBondContact O-N 3.49Å; G80-N83 PolarHBondContact O-N 3.25Å; G80-Y84 VanDerWaalsContact O-CB 3.31Å; G80-Y84 WeakPolarHBondContact O-CB 3.4Å; G80-Y84 PolarHBondContact O-N 3.22Å; G80-L1489 WeakPolarHBondContact CA-O 3.42Å; G80-I1490 CarbonylContact C-O 3.43Å | ||
| 81 | L | 81.1 | Confident | 82.9 | Confident | 16 Ų | 16 | 12.4 Ų | 12.4 | 8% | 0.084 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -54.9 | -41.5 | -171 | -167.8 | 93.1 | 0 | 0 | 0 | 112.9 | Y84 I85 F285 Y309 L312 L313 L1489 I1490 | L81-Y84 PolarHBondContact O-N 3.38Å; L81-I85 HydrophobicContact CD1-CD1 4.38Å; L81-I85 HydrophobicContact CD2-CD1 3.83Å; L81-I85 HydrophobicContact CG-CD1 3.75Å; L81-I85 HydrophobicContact CG-CG1 4.4Å; L81-I85 WeakPolarHBondContact O-CB 3.34Å; L81-I85 VanDerWaalsContact O-CG1 3.3Å; L81-I85 WeakPolarHBondContact O-CG1 3.48Å; L81-I85 PolarHBondContact O-N 2.93Å; L81-F285 HydrophobicContact CD1-CZ 4.36Å; L81-Y309 HydrophobicContact CD1-CD1 4.44Å; L81-L312 HydrophobicContact CD1-CD2 4.17Å; L81-L312 HydrophobicContact CD2-CD2 3.88Å; L81-L312 HydrophobicContact CG-CD2 4.48Å; L81-L313 HydrophobicContact CD1-CD2 4.22Å; L81-L313 HydrophobicContact CD2-CD2 4.11Å; L81-L1489 PolarHBondContact N-O 3.4Å; L81-I1490 PolarHBondContact N-O 3Å |
| 82 | L | 77.1 | Confident | 82.7 | Confident | 58 Ų | 58 | 12.9 Ų | 12.9 | 30% | 0.304 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -67.3 | -49.2 | -176.1 | -174.4 | 146.9 | 0 | 0 | 0 | 111.4 | G80 Y84 I85 Q86 I114 I1490 | G80-L82 VanDerWaalsContact C-N 3.29Å; G80-L82 PolarHBondContact O-N 3.49Å; L82-Y84 VanDerWaalsContact C-N 3.3Å; L82-Y84 PolarHBondContact O-N 2.8Å; L82-I85 PolarHBondContact O-N 3.2Å; L82-Q86 HydrophobicContact CD2-CG 4.35Å; L82-Q86 WeakPolarHBondContact O-CG 3.39Å; L82-Q86 PolarHBondContact O-N 3.05Å; L82-I114 HydrophobicContact CD2-CD1 4.07Å; L82-I1490 HydrophobicContact CB-CG2 4.35Å; L82-I1490 WeakPolarHBondContact CB-O 3.47Å; L82-I1490 PolarHBondContact N-O 3.26Å |
| 83 | N | 78.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.8 | -31.4 | 177.3 | -73.9 | 7.2 | 0 | 0 | 0 | 112.1 | S75 M79 G80 Q86 S87 N108 P1492 | S75-N83 WeakPolarHBondContact CB-O 3.47Å; S75-N83 PolarHBondContact OG-O 3.46Å; M79-N83 HydrophobicContact CG-CB 3.87Å; G80-N83 PolarHBondContact O-N 3.25Å; N83-Q86 PolarHBondContact OD1-OE1 2.9Å; N83-S87 PolarHBondContact O-N 3.13Å; N83-S87 VanDerWaalsContact O-N 3.16Å; N83-N108 PolarHBondContact OD1-ND2 3.43Å; N83-P1492 WeakPolarHBondContact ND2-CB 3.36Å |
| 84 | Y | 85.5 | Confident | 82.4 | Confident | 9 Ų | 9 | 15.5 Ų | 15.5 | 4% | 0.035 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.8 | -54.2 | 171.6 | 178.7 | -104.2 | 0 | 0 | 0 | 110.9 | G80 L81 L82 Q86 S87 L88 F285 | G80-Y84 VanDerWaalsContact O-CB 3.31Å; G80-Y84 WeakPolarHBondContact O-CB 3.4Å; G80-Y84 PolarHBondContact O-N 3.22Å; L81-Y84 PolarHBondContact O-N 3.38Å; L82-Y84 VanDerWaalsContact C-N 3.3Å; L82-Y84 PolarHBondContact O-N 2.8Å; Y84-Q86 PolarHBondContact O-N 3.44Å; Y84-S87 WeakPolarHBondContact O-CB 3.48Å; Y84-S87 PolarHBondContact O-N 3.16Å; Y84-S87 PolarHBondContact O-OG 3.4Å; Y84-L88 HydrophobicContact CD1-CD1 4.08Å; Y84-L88 HydrophobicContact CD1-CG 4.45Å; Y84-L88 HydrophobicContact CE1-CD1 3.63Å; Y84-L88 HydrophobicContact CE1-CD2 4.48Å; Y84-L88 HydrophobicContact CE1-CG 4.2Å; Y84-L88 WeakPolarHBondContact O-CG 3.47Å; Y84-L88 PolarHBondContact O-N 3.38Å; Y84-L88 VanDerWaalsContact O-N 3.07Å; Y84-F285 HydrophobicContact CD1-CE2 4.44Å; Y84-F285 AromaticContact CE1-CD2 3.7Å; Y84-F285 HydrophobicContact CE1-CD2 3.7Å; Y84-F285 AromaticContact CE1-CE2 3.94Å; Y84-F285 HydrophobicContact CE1-CE2 3.94Å; Y84-F285 HydrophobicContact CE1-CG 4.37Å |
| 85 | I | 82.6 | Confident | 82 | Confident | 50 Ų | 50 | 15.8 Ų | 15.8 | 26% | 0.256 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 178.9 | -70.8 | 172.9 | 0 | 0 | 0 | 112 | L81 L82 S87 L88 I89 F285 | L81-I85 HydrophobicContact CD1-CD1 4.38Å; L81-I85 HydrophobicContact CD2-CD1 3.83Å; L81-I85 HydrophobicContact CG-CD1 3.75Å; L81-I85 HydrophobicContact CG-CG1 4.4Å; L81-I85 WeakPolarHBondContact O-CB 3.34Å; L81-I85 VanDerWaalsContact O-CG1 3.3Å; L81-I85 WeakPolarHBondContact O-CG1 3.48Å; L81-I85 PolarHBondContact O-N 2.93Å; L82-I85 PolarHBondContact O-N 3.2Å; I85-S87 VanDerWaalsContact C-N 3.3Å; I85-S87 PolarHBondContact O-N 3.26Å; I85-L88 WeakPolarHBondContact O-CB 3.19Å; I85-L88 PolarHBondContact O-N 3.42Å; I85-L88 VanDerWaalsContact O-N 3.13Å; I85-I89 HydrophobicContact CG2-CD1 3.65Å; I85-I89 HydrophobicContact CG2-CG1 4.41Å; I85-I89 WeakPolarHBondContact O-CG1 3.39Å; I85-I89 PolarHBondContact O-N 3.16Å; I85-I89 VanDerWaalsContact O-N 3.08Å; I85-F285 HydrophobicContact CD1-CE1 4.21Å; I85-F285 HydrophobicContact CD1-CZ 4.1Å; I85-F285 HydrophobicContact CG1-CE1 4.28Å; I85-F285 HydrophobicContact CG1-CZ 4.25Å |
| 86 | Q | 81.2 | Confident | 81.8 | Confident | 11 Ų | 11 | 17.2 Ų | 17.2 | 5% | 0.051 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54.5 | -45.8 | 170.5 | -79 | 176 | -27.9 | 0 | 0 | 111.4 | L82 N83 Y84 L88 I89 C90 F104 N108 | L82-Q86 HydrophobicContact CD2-CG 4.35Å; L82-Q86 WeakPolarHBondContact O-CG 3.39Å; L82-Q86 PolarHBondContact O-N 3.05Å; N83-Q86 PolarHBondContact OD1-OE1 2.9Å; Y84-Q86 PolarHBondContact O-N 3.44Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 3.16Å; Q86-I89 PolarHBondContact O-N 2.71Å; Q86-C90 WeakPolarHBondContact O-CB 3.26Å; Q86-C90 PolarHBondContact O-N 2.96Å; Q86-C90 PolarHBondContact O-SG 3.19Å; Q86-F104 HydrophobicContact CB-CD1 4.3Å; Q86-N108 PolarHBondContact NE2-OD1 3.47Å; Q86-N108 PolarHBondContact OE1-OD1 2.91Å |
| 87 | S | 83.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65 | -33.3 | 178.3 | 83.5 | 0 | 0 | 0 | 0 | 113.1 | S75 N83 Y84 I85 N91 | S75-S87 PolarHBondContact O-OG 2.76Å; N83-S87 PolarHBondContact O-N 3.13Å; N83-S87 VanDerWaalsContact O-N 3.16Å; Y84-S87 WeakPolarHBondContact O-CB 3.48Å; Y84-S87 PolarHBondContact O-N 3.16Å; Y84-S87 PolarHBondContact O-OG 3.4Å; I85-S87 VanDerWaalsContact C-N 3.3Å; I85-S87 PolarHBondContact O-N 3.26Å; S87-N91 PolarHBondContact O-N 3.39Å |
| 88 | L | 83.9 | Confident | 81.2 | Confident | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.6 | -33.7 | 175.9 | -63.7 | -175.8 | 0 | 0 | 0 | 113 | Y84 I85 Q86 R281 L282 F285 | Y84-L88 HydrophobicContact CD1-CD1 4.08Å; Y84-L88 HydrophobicContact CD1-CG 4.45Å; Y84-L88 HydrophobicContact CE1-CD1 3.63Å; Y84-L88 HydrophobicContact CE1-CD2 4.48Å; Y84-L88 HydrophobicContact CE1-CG 4.2Å; Y84-L88 WeakPolarHBondContact O-CG 3.47Å; Y84-L88 PolarHBondContact O-N 3.38Å; Y84-L88 VanDerWaalsContact O-N 3.07Å; I85-L88 WeakPolarHBondContact O-CB 3.19Å; I85-L88 PolarHBondContact O-N 3.42Å; I85-L88 VanDerWaalsContact O-N 3.13Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 3.16Å; L88-R281 HydrophobicContact CD2-CB 3.37Å; L88-R281 HydrophobicContact CD2-CG 4.41Å; L88-L282 HydrophobicContact CB-CB 4.32Å; L88-L282 HydrophobicContact CB-CD1 4.21Å; L88-F285 HydrophobicContact CD1-CB 3.94Å; L88-F285 HydrophobicContact CD1-CD1 4.15Å; L88-F285 HydrophobicContact CD1-CG 3.97Å |
| 89 | I | 81.7 | Confident | 81 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 22% | 0.221 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -96.5 | -33.6 | -172.4 | -66 | 175.1 | 0 | 0 | 0 | 112.1 | I85 Q86 F92 I191 L201 L282 | I85-I89 HydrophobicContact CG2-CD1 3.65Å; I85-I89 HydrophobicContact CG2-CG1 4.41Å; I85-I89 WeakPolarHBondContact O-CG1 3.39Å; I85-I89 PolarHBondContact O-N 3.16Å; I85-I89 VanDerWaalsContact O-N 3.08Å; Q86-I89 PolarHBondContact O-N 2.71Å; I89-F92 VanDerWaalsContact O-CD1 3.27Å; I89-F92 WeakPolarHBondContact O-CD1 3.16Å; I89-F92 WeakPolarHBondContact O-CE1 3.25Å; I89-I191 HydrophobicContact CG2-CG2 4.21Å; I89-L201 HydrophobicContact CG2-CD1 4.14Å; I89-L201 HydrophobicContact CG2-CD2 3.82Å; I89-L201 HydrophobicContact CG2-CG 4.45Å; I89-L282 HydrophobicContact CG1-CD1 3.69Å |
| 90 | C | 80.9 | Confident | 80.7 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -101.3 | -14.5 | -171.7 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | Q86 F104 C192 N199 D200 | Q86-C90 WeakPolarHBondContact O-CB 3.26Å; Q86-C90 PolarHBondContact O-N 2.96Å; Q86-C90 PolarHBondContact O-SG 3.19Å; C90-F104 HydrophobicContact CB-CE1 3.8Å; C90-F104 HydrophobicContact CB-CZ 3.86Å; C90-C192 HydrophobicContact CB-CB 3.83Å; C90-C192 WeakPolarHBondContact CB-SG 3.29Å; C90-C192 WeakPolarHBondContact SG-CA 3.21Å; C90-C192 WeakPolarHBondContact SG-CB 3.4Å; C90-C192 CovalentContact SG-SG 2.03Å; C90-C192 PolarHBondContact SG-SG 3.08Å; C90-N199 HydrophobicContact CB-CB 4.45Å; C90-D200 PolarHBondContact O-N 2.83Å |
| 91 | N | 81.3 | Confident | 80.6 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.032 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -140.2 | 52.7 | -173.5 | -169.5 | 14.7 | 0 | 0 | 0 | 112.3 | Q72 Q74 S87 F104 D200 | Q72-N91 PolarHBondContact O-ND2 3.43Å; Q74-N91 WeakPolarHBondContact CG-ND2 3.4Å; Q74-N91 PolarHBondContact NE2-O 2.71Å; Q74-N91 VanDerWaalsContact NE2-O 3.13Å; S87-N91 PolarHBondContact O-N 3.39Å; N91-F104 HydrophobicContact CB-CE2 4.3Å; N91-F104 HydrophobicContact CB-CZ 4.15Å; N91-D200 WeakPolarHBondContact CA-OD2 3.36Å |
| 92 | F | 81.3 | Confident | 79.9 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -93.8 | -15.9 | -178.6 | 62.5 | -97.8 | 0 | 0 | 0 | 114.5 | I89 D200 F204 T278 M279 | I89-F92 VanDerWaalsContact O-CD1 3.27Å; I89-F92 WeakPolarHBondContact O-CD1 3.16Å; I89-F92 WeakPolarHBondContact O-CE1 3.25Å; F92-D200 HydrophobicContact CD1-CB 3.77Å; F92-D200 HydrophobicContact CD2-CB 4.46Å; F92-D200 HydrophobicContact CE1-CB 3.5Å; F92-D200 VanDerWaalsContact CE1-CB 3.5Å; F92-D200 HydrophobicContact CE2-CB 4.23Å; F92-D200 HydrophobicContact CG-CB 4.25Å; F92-D200 HydrophobicContact CZ-CB 3.75Å; F92-D200 PolarHBondContact N-OD2 2.91Å; F92-F204 HydrophobicContact CZ-CB 4.42Å; F92-T278 VanDerWaalsContact O-O 3.08Å; F92-M279 HydrophobicContact CB-CG 4.21Å; F92-M279 HydrophobicContact CD1-CE 3.83Å; F92-M279 HydrophobicContact CD1-CG 4.41Å; F92-M279 HydrophobicContact CD2-CE 4.32Å; F92-M279 HydrophobicContact CD2-CG 4.01Å; F92-M279 HydrophobicContact CE1-CE 3.55Å; F92-M279 HydrophobicContact CE2-CE 4.07Å; F92-M279 HydrophobicContact CG-CE 4.23Å; F92-M279 HydrophobicContact CG-CG 3.97Å; F92-M279 HydrophobicContact CZ-CE 3.69Å |
| 93 | N | 77.8 | Confident | 79.2 | Confident | 69 Ų | 69 | 41 Ų | 41 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -118.2 | 9 | -175.5 | -160.4 | 29.4 | 0 | 0 | 0 | 112.7 | T95 D200 | N93-T95 PolarHBondContact O-N 3.13Å; N93-D200 WeakPolarHBondContact CA-OD2 3.33Å; N93-D200 HydrophobicContact CB-CB 4.25Å; N93-D200 PolarHBondContact N-OD2 2.9Å |
| 94 | Y | 82.8 | Confident | 78.5 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | trans | 50.5 | 52.6 | 173.8 | -56.3 | -96.2 | 0 | 0 | 0 | 111.8 | Q74 C96 D200 R526 P528 M532 F535 T536 | Q74-Y94 PolarHBondContact NE2-OH 3.34Å; Y94-C96 PolarHBondContact O-N 3.08Å; Y94-D200 PolarHBondContact N-OD2 3.33Å; Y94-R526 PolarHBondContact O-NH1 3.39Å; Y94-P528 HydrophobicContact CD2-CB 4.31Å; Y94-P528 HydrophobicContact CE2-CB 4.26Å; Y94-M532 HydrophobicContact CD1-CE 4.29Å; Y94-M532 HydrophobicContact CD1-CG 4.32Å; Y94-M532 HydrophobicContact CD2-CG 4.31Å; Y94-M532 HydrophobicContact CE1-CG 4.24Å; Y94-M532 HydrophobicContact CE1-SD 4.33Å; Y94-M532 HydrophobicContact CE2-CB 4.12Å; Y94-M532 HydrophobicContact CE2-CG 4.27Å; Y94-M532 HydrophobicContact CG-CG 4.38Å; Y94-F535 WeakPolarHBondContact OH-CB 3.47Å; Y94-T536 HydrophobicContact CE2-CG2 4.45Å | ||
| 95 | T | 79.1 | Confident | 77.1 | Confident | 12 Ų | 12 | 41 Ų | 41 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | trans | -62.9 | 140.5 | -175.4 | 29.4 | 0 | 0 | 0 | 0 | 112.8 | N93 D200 R203 | N93-T95 PolarHBondContact O-N 3.13Å; T95-D200 VanDerWaalsContact CB-OD1 3.23Å; T95-D200 WeakPolarHBondContact CB-OD1 3.07Å; T95-D200 WeakPolarHBondContact CG2-OD1 3.35Å; T95-D200 PolarHBondContact OG1-OD1 3.09Å; T95-R203 VanDerWaalsContact CG2-NH1 3.32Å | ||
| 96 | C | 82.3 | Confident | 75.9 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | trans | -82.6 | 121.1 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 108.1 | C69 Y94 | C69-C96 WeakPolarHBondContact CA-SG 3.13Å; C69-C96 HydrophobicContact CB-CB 4.48Å; C69-C96 WeakPolarHBondContact CB-SG 3.38Å; C69-C96 VanDerWaalsContact SG-CA 3.59Å; C69-C96 WeakPolarHBondContact SG-CB 3.35Å; C69-C96 CovalentContact SG-SG 2.03Å; C69-C96 PolarHBondContact SG-SG 2.85Å; Y94-C96 PolarHBondContact O-N 3.08Å | ||
| 97 | N | 81.5 | Confident | 74.7 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -113.9 | 142.7 | 175.5 | -71.2 | -17.5 | 0 | 0 | 0 | 109.4 | F70 K99 E198 R203 | F70-N97 PolarHBondContact N-O 3.46Å; F70-N97 PolarHBondContact O-N 3.22Å; N97-K99 VanDerWaalsContact C-N 3.28Å; N97-K99 PolarHBondContact O-N 2.82Å; N97-E198 PolarHBondContact ND2-O 2.88Å; N97-R203 PolarHBondContact OD1-NH2 2.92Å |
| 98 | E | 78.7 | Confident | 73.3 | Confident | 127 Ų | 127 | 42.4 Ų | 42.4 | 59% | 0.593 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -76.8 | -14.4 | -170.5 | -57.4 | -158 | 128.7 | 0 | 0 | 114.4 | S67 S68 F70 | S67-E98 WeakPolarHBondContact CB-OE1 3.34Å; S67-E98 PolarHBondContact OG-OE1 3.15Å; S68-E98 WeakPolarHBondContact O-CA 3.4Å; S68-E98 PolarHBondContact OG-O 3.33Å; F70-E98 WeakPolarHBondContact CD2-O 3.46Å; F70-E98 VanDerWaalsContact CE2-O 3.31Å; F70-E98 WeakPolarHBondContact CE2-O 3.24Å |
| 99 | K | 78.4 | Confident | 71.9 | Confident | 176 Ų | 176 | 43.9 Ų | 43.9 | 77% | 0.765 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -130.6 | 154.4 | 177.5 | -60.9 | 176 | -175.7 | 172.5 | 0 | 108.4 | F70 N97 P101 | F70-K99 VanDerWaalsContact CD2-C 3.48Å; N97-K99 VanDerWaalsContact C-N 3.28Å; N97-K99 PolarHBondContact O-N 2.82Å; K99-P101 VanDerWaalsContact O-CD 3.26Å; K99-P101 WeakPolarHBondContact O-CD 3.33Å |
| 100 | D | 77.8 | Confident | 70.7 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 34% | 0.337 | 24% | 0.24 | S | C | . | . | trans | -64.4 | 115.8 | -178.2 | -157.8 | 40.9 | 0 | 0 | 0 | 111.4 | F70 K576 | F70-D100 HydrophobicContact CB-CB 4.44Å; F70-D100 HydrophobicContact CD1-CB 3.52Å; F70-D100 WeakPolarHBondContact CD1-OD1 3.41Å; F70-D100 HydrophobicContact CE1-CB 3.87Å; F70-D100 HydrophobicContact CG-CB 4.09Å; D100-K576 WeakPolarHBondContact OD1-CE 3.18Å; D100-K576 IonicContact OD1-NZ 3.39Å; D100-K576 PolarHBondContact OD1-NZ 2.76Å; D100-K576 IonicContact OD2-NZ 2.67Å; D100-K576 PolarHBondContact OD2-NZ 3.22Å | ||
| 101 | P | 74.3 | Confident | 69.8 | Low | 25 Ų | 25 | 46.6 Ų | 46.6 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 150.8 | -174.1 | 31.6 | -36.1 | 0 | 0 | 0 | 111.8 | Q72 K99 S103 | Q72-P101 HydrophobicContact CB-CG 4Å; K99-P101 VanDerWaalsContact O-CD 3.26Å; K99-P101 WeakPolarHBondContact O-CD 3.33Å; P101-S103 PolarHBondContact O-N 2.78Å |
| 102 | R | 66.3 | Low | 68.8 | Low | 165 Ų | 165 | 48.1 Ų | 48.1 | 62% | 0.623 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -71.8 | 126 | 177 | -66.9 | -179.1 | -179 | 175.8 | 1.2 | 110 | Q72 L107 | Q72-R102 PolarHBondContact NE2-O 2.93Å; Q72-R102 PolarHBondContact OE1-O 2.95Å; Q72-R102 VanDerWaalsContact OE1-O 3.07Å; R102-L107 HydrophobicContact CB-CD2 4.02Å; R102-L107 HydrophobicContact CB-CG 4.09Å; R102-L107 VanDerWaalsContact O-CD1 3.25Å; R102-L107 WeakPolarHBondContact O-CD1 3.47Å; R102-L107 WeakPolarHBondContact O-CG 3.4Å |
| 103 | S | 63.3 | Low | 67.8 | Low | 20 Ų | 20 | 51.7 Ų | 51.7 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -49 | 146.1 | 172.3 | 42.2 | 0 | 0 | 0 | 0 | 112.5 | P101 V105 T106 L107 | P101-S103 PolarHBondContact O-N 2.78Å; S103-V105 PolarHBondContact O-N 2.85Å; S103-V105 VanDerWaalsContact O-N 3.13Å; S103-T106 WeakPolarHBondContact O-CA 3.41Å; S103-T106 PolarHBondContact O-N 3.12Å; S103-T106 PolarHBondContact O-OG1 3.01Å; S103-T106 PolarHBondContact OG-OG1 2.9Å; S103-L107 PolarHBondContact O-N 3.25Å; S103-L107 VanDerWaalsContact O-N 3.15Å |
| 104 | F | 63.2 | Low | 67.1 | Low | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.2 | -39.2 | -178.7 | -69.4 | -71.2 | 0 | 0 | 0 | 113.5 | Q72 S73 Q86 C90 N91 T106 L107 N108 | Q72-F104 HydrophobicContact CG-CD2 4.21Å; Q72-F104 HydrophobicContact CG-CE2 3.47Å; Q72-F104 VanDerWaalsContact CG-CE2 3.47Å; Q72-F104 HydrophobicContact CG-CZ 3.66Å; S73-F104 WeakPolarHBondContact O-CE2 3.41Å; Q86-F104 HydrophobicContact CB-CD1 4.3Å; C90-F104 HydrophobicContact CB-CE1 3.8Å; C90-F104 HydrophobicContact CB-CZ 3.86Å; N91-F104 HydrophobicContact CB-CE2 4.3Å; N91-F104 HydrophobicContact CB-CZ 4.15Å; F104-T106 PolarHBondContact O-N 3.18Å; F104-L107 HydrophobicContact CD1-CD1 4.18Å; F104-L107 PolarHBondContact O-N 3.32Å; F104-N108 PolarHBondContact O-N 3.36Å; F104-N108 VanDerWaalsContact O-N 3.09Å; F104-N108 PolarHBondContact O-OD1 3.43Å |
| 105 | V | 57.8 | Low | 66.1 | Low | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.7 | -26.1 | 174.9 | -151.3 | 0 | 0 | 0 | 0 | 113.4 | M79 S103 N1450 Y1453 P1492 I1496 | M79-V105 HydrophobicContact SD-CG2 3.97Å; S103-V105 PolarHBondContact O-N 2.85Å; S103-V105 VanDerWaalsContact O-N 3.13Å; V105-N1450 WeakPolarHBondContact CG1-ND2 3.45Å; V105-Y1453 HydrophobicContact CG1-CD2 4.42Å; V105-Y1453 HydrophobicContact CG1-CE2 4.25Å; V105-Y1453 WeakPolarHBondContact O-CE2 3.3Å; V105-Y1453 PolarHBondContact O-OH 2.89Å; V105-P1492 HydrophobicContact CG1-CB 4.17Å; V105-P1492 HydrophobicContact CG1-CG 4.16Å; V105-I1496 HydrophobicContact CG1-CD1 4.34Å; V105-I1496 HydrophobicContact CG2-CD1 4.22Å |
| 106 | T | 57 | Low | 65.4 | Low | 66 Ų | 66 | 56.1 Ų | 56.1 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -103.1 | -6.9 | 175.8 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | S103 F104 | S103-T106 WeakPolarHBondContact O-CA 3.41Å; S103-T106 PolarHBondContact O-N 3.12Å; S103-T106 PolarHBondContact O-OG1 3.01Å; S103-T106 PolarHBondContact OG-OG1 2.9Å; F104-T106 PolarHBondContact O-N 3.18Å |
| 107 | L | 55.5 | Low | 64.5 | Low | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -87.1 | -20.3 | 169 | -71.5 | 171.9 | 0 | 0 | 0 | 112.8 | R102 S103 F104 G109 L110 A111 | R102-L107 HydrophobicContact CB-CD2 4.02Å; R102-L107 HydrophobicContact CB-CG 4.09Å; R102-L107 VanDerWaalsContact O-CD1 3.25Å; R102-L107 WeakPolarHBondContact O-CD1 3.47Å; R102-L107 WeakPolarHBondContact O-CG 3.4Å; S103-L107 PolarHBondContact O-N 3.25Å; S103-L107 VanDerWaalsContact O-N 3.15Å; F104-L107 HydrophobicContact CD1-CD1 4.18Å; F104-L107 PolarHBondContact O-N 3.32Å; L107-G109 PolarHBondContact O-N 2.89Å; L107-G109 VanDerWaalsContact O-N 3.13Å; L107-L110 HydrophobicContact CD2-CD1 4.34Å; L107-L110 WeakPolarHBondContact O-CA 3.18Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 3.35Å; L107-A111 PolarHBondContact O-N 3.06Å |
| 108 | N | 54.9 | Low | 63.5 | Low | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.032 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.9 | -178.5 | -77.2 | -11.5 | 0 | 0 | 0 | 114 | N83 Q86 F104 L110 I114 Y1453 | N83-N108 PolarHBondContact OD1-ND2 3.43Å; Q86-N108 PolarHBondContact NE2-OD1 3.47Å; Q86-N108 PolarHBondContact OE1-OD1 2.91Å; F104-N108 PolarHBondContact O-N 3.36Å; F104-N108 VanDerWaalsContact O-N 3.09Å; F104-N108 PolarHBondContact O-OD1 3.43Å; N108-L110 PolarHBondContact O-N 3.2Å; N108-I114 HydrophobicContact CB-CD1 3.9Å; N108-I114 HydrophobicContact CB-CG2 4.24Å; N108-I114 VanDerWaalsContact O-CB 3.3Å; N108-I114 WeakPolarHBondContact O-CB 3.16Å; N108-I114 VanDerWaalsContact O-CG2 3.26Å; N108-I114 WeakPolarHBondContact O-CG2 3.13Å; N108-I114 VanDerWaalsContact OD1-CD1 3.26Å; N108-I114 WeakPolarHBondContact OD1-CD1 3.41Å; N108-Y1453 HydrophobicContact CB-CE1 4.46Å; N108-Y1453 WeakPolarHBondContact CB-OH 3.36Å |
| 109 | G | 54.6 | Low | 62.7 | Low | 39 Ų | 39 | 54.6 Ų | 54.6 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -1.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L107 | L107-G109 PolarHBondContact O-N 2.89Å; L107-G109 VanDerWaalsContact O-N 3.13Å |
| 110 | L | 55.6 | Low | 62 | Low | 101 Ų | 101 | 49.4 Ų | 49.4 | 53% | 0.529 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -17.4 | -179.8 | -70.6 | 163.9 | 0 | 0 | 0 | 113.4 | L107 N108 P112 | L107-L110 HydrophobicContact CD2-CD1 4.34Å; L107-L110 WeakPolarHBondContact O-CA 3.18Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 3.35Å; N108-L110 PolarHBondContact O-N 3.2Å; L110-P112 WeakPolarHBondContact O-CD 3.46Å |
| 111 | A | 61.4 | Low | 61.2 | Low | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -72.1 | 121.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L107 M113 I114 Y115 | L107-A111 PolarHBondContact O-N 3.06Å; A111-M113 PolarHBondContact O-N 3.11Å; A111-M113 VanDerWaalsContact O-N 3.08Å; A111-I114 HydrophobicContact CB-CB 4.37Å; A111-I114 HydrophobicContact CB-CD1 4.18Å; A111-I114 HydrophobicContact CB-CG1 4.28Å; A111-I114 PolarHBondContact O-N 2.77Å; A111-Y115 WeakPolarHBondContact O-CB 3.27Å; A111-Y115 PolarHBondContact O-N 3.41Å |
| 112 | P | 60.4 | Low | 60.6 | Low | 38 Ų | 38 | 50.9 Ų | 50.9 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.8 | -34.3 | -173.4 | -29.4 | 35.4 | 0 | 0 | 0 | 114.8 | L110 F116 F190 | L110-P112 WeakPolarHBondContact O-CD 3.46Å; P112-F116 VanDerWaalsContact O-CB 3.3Å; P112-F116 WeakPolarHBondContact O-CB 3.41Å; P112-F116 PolarHBondContact O-N 3.11Å; P112-F190 HydrophobicContact CB-CD2 4.5Å |
| 113 | M | 62 | Low | 60.3 | Low | 91 Ų | 91 | 43.6 Ų | 43.6 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.4 | -43.4 | 177.3 | -168.6 | 178.1 | -176.2 | 0 | 0 | 112.7 | A111 F116 L117 F190 | A111-M113 PolarHBondContact O-N 3.11Å; A111-M113 VanDerWaalsContact O-N 3.08Å; M113-F116 PolarHBondContact O-N 2.16Å; M113-L117 WeakPolarHBondContact O-CG 3.45Å; M113-L117 PolarHBondContact O-N 2.87Å; M113-L117 VanDerWaalsContact O-N 3.09Å; M113-F190 HydrophobicContact CB-CD2 4.48Å; M113-F190 HydrophobicContact CB-CE1 4.12Å; M113-F190 HydrophobicContact CB-CE2 3.84Å; M113-F190 HydrophobicContact CB-CZ 3.64Å; M113-F190 HydrophobicContact CG-CE1 4.32Å; M113-F190 HydrophobicContact CG-CE2 4.45Å; M113-F190 HydrophobicContact CG-CZ 3.84Å; M113-F190 HydrophobicContact SD-CE1 3.7Å; M113-F190 HydrophobicContact SD-CZ 3.75Å |
| 114 | I | 61.7 | Low | 60 | Low | 26 Ų | 26 | 43.2 Ų | 43.2 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.7 | -39.6 | -179.4 | -57.2 | 175.1 | 0 | 0 | 0 | 109.5 | L82 N108 A111 F116 L117 D118 | L82-I114 HydrophobicContact CD2-CD1 4.07Å; N108-I114 HydrophobicContact CB-CD1 3.9Å; N108-I114 HydrophobicContact CB-CG2 4.24Å; N108-I114 VanDerWaalsContact O-CB 3.3Å; N108-I114 WeakPolarHBondContact O-CB 3.16Å; N108-I114 VanDerWaalsContact O-CG2 3.26Å; N108-I114 WeakPolarHBondContact O-CG2 3.13Å; N108-I114 VanDerWaalsContact OD1-CD1 3.26Å; N108-I114 WeakPolarHBondContact OD1-CD1 3.41Å; A111-I114 HydrophobicContact CB-CB 4.37Å; A111-I114 HydrophobicContact CB-CD1 4.18Å; A111-I114 HydrophobicContact CB-CG1 4.28Å; A111-I114 PolarHBondContact O-N 2.77Å; I114-F116 VanDerWaalsContact C-N 3.28Å; I114-F116 PolarHBondContact O-N 3.02Å; I114-L117 PolarHBondContact O-N 3.13Å; I114-L117 VanDerWaalsContact O-N 3.15Å; I114-D118 VanDerWaalsContact O-CB 3.24Å; I114-D118 WeakPolarHBondContact O-CB 3.45Å; I114-D118 PolarHBondContact O-N 2.97Å |
| 115 | Y | 62.8 | Low | 59.7 | Low | 102 Ų | 102 | 46.1 Ų | 46.1 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60 | -35.9 | 171.8 | -173.1 | -104.8 | 0 | 0 | 0 | 112.6 | A111 N119 | A111-Y115 WeakPolarHBondContact O-CB 3.27Å; A111-Y115 PolarHBondContact O-N 3.41Å; Y115-N119 WeakPolarHBondContact CE1-ND2 3.28Å; Y115-N119 WeakPolarHBondContact O-CB 3.4Å; Y115-N119 PolarHBondContact O-N 3.34Å; Y115-N119 VanDerWaalsContact O-N 3.13Å; Y115-N119 PolarHBondContact O-ND2 3.36Å |
| 116 | F | 64.8 | Low | 59.9 | Low | 57 Ų | 57 | 46.1 Ų | 46.1 | 25% | 0.25 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 171.8 | 177.4 | -106.4 | 0 | 0 | 0 | 111.9 | P112 M113 I114 N119 L120 A161 L164 | P112-F116 VanDerWaalsContact O-CB 3.3Å; P112-F116 WeakPolarHBondContact O-CB 3.41Å; P112-F116 PolarHBondContact O-N 3.11Å; M113-F116 PolarHBondContact O-N 2.16Å; I114-F116 VanDerWaalsContact C-N 3.28Å; I114-F116 PolarHBondContact O-N 3.02Å; F116-N119 PolarHBondContact O-N 3.45Å; F116-L120 HydrophobicContact CD1-CD1 4.31Å; F116-L120 HydrophobicContact CE1-CD1 3.65Å; F116-L120 HydrophobicContact CZ-CD1 3.85Å; F116-L120 WeakPolarHBondContact O-CB 3.41Å; F116-L120 PolarHBondContact O-N 2.91Å; F116-A161 HydrophobicContact CE2-CB 4.49Å; F116-L164 HydrophobicContact CB-CD1 4.48Å; F116-L164 HydrophobicContact CD2-CD2 4.26Å; F116-L164 HydrophobicContact CE2-CD2 4.32Å |
| 117 | L | 62 | Low | 60.3 | Low | 69 Ų | 69 | 47.6 Ų | 47.6 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.4 | -73.2 | 165 | 0 | 0 | 0 | 112.5 | M113 I114 L120 T121 | M113-L117 WeakPolarHBondContact O-CG 3.45Å; M113-L117 PolarHBondContact O-N 2.87Å; M113-L117 VanDerWaalsContact O-N 3.09Å; I114-L117 PolarHBondContact O-N 3.13Å; I114-L117 VanDerWaalsContact O-N 3.15Å; L117-L120 WeakPolarHBondContact O-CA 3.17Å; L117-L120 WeakPolarHBondContact O-CB 3.29Å; L117-L120 PolarHBondContact O-N 3.42Å; L117-T121 PolarHBondContact O-N 3.45Å; L117-T121 PolarHBondContact O-OG1 2.92Å; L117-T121 VanDerWaalsContact O-OG1 3.1Å |
| 118 | D | 61.4 | Low | 60.7 | Low | 51 Ų | 51 | 48.1 Ų | 48.1 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 179.5 | -169.1 | 40.8 | 0 | 0 | 0 | 111.8 | I114 L120 T121 H122 L1455 | I114-D118 VanDerWaalsContact O-CB 3.24Å; I114-D118 WeakPolarHBondContact O-CB 3.45Å; I114-D118 PolarHBondContact O-N 2.97Å; D118-L120 VanDerWaalsContact C-N 3.3Å; D118-L120 PolarHBondContact O-N 2.85Å; D118-T121 WeakPolarHBondContact CA-OG1 3.39Å; D118-T121 PolarHBondContact O-N 2.92Å; D118-T121 PolarHBondContact O-OG1 3.14Å; D118-H122 PolarHBondContact O-N 3.49Å; D118-H122 VanDerWaalsContact O-N 3.1Å; D118-L1455 HydrophobicContact CB-CD1 4.39Å |
| 119 | N | 61.6 | Low | 61 | Low | 22 Ų | 22 | 50.2 Ų | 50.2 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.9 | -27.1 | 171.7 | -79.8 | -85.3 | 0 | 0 | 0 | 113.2 | Y115 F116 | Y115-N119 WeakPolarHBondContact CE1-ND2 3.28Å; Y115-N119 WeakPolarHBondContact O-CB 3.4Å; Y115-N119 PolarHBondContact O-N 3.34Å; Y115-N119 VanDerWaalsContact O-N 3.13Å; Y115-N119 PolarHBondContact O-ND2 3.36Å; F116-N119 PolarHBondContact O-N 3.45Å |
| 120 | L | 62.9 | Low | 61.3 | Low | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.9 | -45.5 | 175.2 | -126 | 169.4 | 0 | 0 | 0 | 111.1 | F116 L117 D118 H122 I123 A124 L157 | F116-L120 HydrophobicContact CD1-CD1 4.31Å; F116-L120 HydrophobicContact CE1-CD1 3.65Å; F116-L120 HydrophobicContact CZ-CD1 3.85Å; F116-L120 WeakPolarHBondContact O-CB 3.41Å; F116-L120 PolarHBondContact O-N 2.91Å; L117-L120 WeakPolarHBondContact O-CA 3.17Å; L117-L120 WeakPolarHBondContact O-CB 3.29Å; L117-L120 PolarHBondContact O-N 3.42Å; D118-L120 VanDerWaalsContact C-N 3.3Å; D118-L120 PolarHBondContact O-N 2.85Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 2.83Å; L120-I123 PolarHBondContact O-N 3.19Å; L120-A124 PolarHBondContact O-N 3.49Å; L120-L157 HydrophobicContact CG-CD1 4.38Å |
| 121 | T | 61.4 | Low | 61.7 | Low | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 172.8 | 32.9 | 0 | 0 | 0 | 0 | 112 | L117 D118 I123 A124 D125 Q1458 L1459 L1462 | L117-T121 PolarHBondContact O-N 3.45Å; L117-T121 PolarHBondContact O-OG1 2.92Å; L117-T121 VanDerWaalsContact O-OG1 3.1Å; D118-T121 WeakPolarHBondContact CA-OG1 3.39Å; D118-T121 PolarHBondContact O-N 2.92Å; D118-T121 PolarHBondContact O-OG1 3.14Å; T121-I123 VanDerWaalsContact C-N 3.26Å; T121-I123 PolarHBondContact O-N 3.45Å; T121-A124 PolarHBondContact O-N 3.05Å; T121-A124 VanDerWaalsContact O-N 3.11Å; T121-D125 PolarHBondContact O-N 3.13Å; T121-Q1458 HydrophobicContact CG2-CB 4.23Å; T121-L1459 HydrophobicContact CG2-CB 4.07Å; T121-L1459 HydrophobicContact CG2-CG 4.2Å; T121-L1462 HydrophobicContact CG2-CD1 4.03Å |
| 122 | H | 62.4 | Low | 61.7 | Low | 116 Ų | 116 | 53.3 Ų | 53.3 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -20.2 | 176.9 | -91.1 | -49 | 0 | 0 | 0 | 115.6 | D118 L120 | D118-H122 PolarHBondContact O-N 3.49Å; D118-H122 VanDerWaalsContact O-N 3.1Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 2.83Å |
| 123 | I | 59.5 | Low | 61.5 | Low | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -87.6 | -30.9 | 171.3 | -65.1 | -151.2 | 0 | 0 | 0 | 111.7 | L120 T121 D125 D126 F129 L154 L157 | L120-I123 PolarHBondContact O-N 3.19Å; T121-I123 VanDerWaalsContact C-N 3.26Å; T121-I123 PolarHBondContact O-N 3.45Å; I123-D125 PolarHBondContact O-N 3.2Å; I123-D126 WeakPolarHBondContact O-CB 3.34Å; I123-D126 PolarHBondContact O-N 3.39Å; I123-D126 VanDerWaalsContact O-N 3.09Å; I123-F129 HydrophobicContact CG2-CB 4.4Å; I123-F129 HydrophobicContact CG2-CD1 3.85Å; I123-F129 HydrophobicContact CG2-CD2 4.11Å; I123-F129 HydrophobicContact CG2-CE1 4.08Å; I123-F129 HydrophobicContact CG2-CE2 4.33Å; I123-F129 HydrophobicContact CG2-CG 3.86Å; I123-F129 HydrophobicContact CG2-CZ 4.32Å; I123-F129 VanDerWaalsContact O-CD1 3.26Å; I123-F129 WeakPolarHBondContact O-CD1 3.19Å; I123-L154 HydrophobicContact CD1-CD2 4.08Å; I123-L157 HydrophobicContact CD1-CB 3.52Å; I123-L157 HydrophobicContact CD1-CD1 3.84Å; I123-L157 HydrophobicContact CD1-CG 4.31Å; I123-L157 HydrophobicContact CG1-CB 4.46Å; I123-L157 HydrophobicContact CG1-CD1 4.22Å |
| 124 | A | 56.4 | Low | 61.2 | Low | 11 Ų | 11 | 55.3 Ų | 55.3 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -18.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L120 T121 N130 L1462 K1465 | L120-A124 PolarHBondContact O-N 3.49Å; T121-A124 PolarHBondContact O-N 3.05Å; T121-A124 VanDerWaalsContact O-N 3.11Å; A124-N130 PolarHBondContact O-ND2 2.94Å; A124-N130 PolarHBondContact O-OD1 2.83Å; A124-L1462 HydrophobicContact CB-CB 4.2Å; A124-L1462 HydrophobicContact CB-CD1 3.57Å; A124-L1462 HydrophobicContact CB-CG 3.73Å; A124-K1465 PolarHBondContact O-NZ 3.27Å; A124-K1465 VanDerWaalsContact O-NZ 3.17Å |
| 125 | D | 57.9 | Low | 61.2 | Low | 68 Ų | 68 | 58.7 Ų | 58.7 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4.1 | 173.3 | -73.9 | -22.2 | 0 | 0 | 0 | 113.8 | T121 I123 P127 Q1458 | T121-D125 PolarHBondContact O-N 3.13Å; I123-D125 PolarHBondContact O-N 3.2Å; D125-P127 WeakPolarHBondContact O-CD 3.45Å; D125-Q1458 PolarHBondContact OD2-NE2 3.49Å |
| 126 | D | 62 | Low | 60.6 | Low | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | trans | -72 | 120.7 | -179.4 | -168.2 | 9.8 | 0 | 0 | 0 | 110.8 | I123 V128 F129 N130 K153 | I123-D126 WeakPolarHBondContact O-CB 3.34Å; I123-D126 PolarHBondContact O-N 3.39Å; I123-D126 VanDerWaalsContact O-N 3.09Å; D126-V128 PolarHBondContact O-N 2.9Å; D126-F129 HydrophobicContact CB-CB 3.93Å; D126-F129 WeakPolarHBondContact O-CB 3.32Å; D126-F129 PolarHBondContact O-N 2.86Å; D126-N130 PolarHBondContact O-N 3.23Å; D126-N130 PolarHBondContact O-ND2 3.18Å; D126-K153 HydrophobicContact CB-CD 4.49Å; D126-K153 IonicContact OD1-NZ 2.77Å; D126-K153 PolarHBondContact OD1-NZ 3.18Å; D126-K153 WeakPolarHBondContact OD2-CD 3.3Å; D126-K153 IonicContact OD2-NZ 3.23Å; D126-K153 PolarHBondContact OD2-NZ 3.05Å | ||
| 127 | P | 66 | Low | 59.9 | Low | 98 Ų | 98 | 59 Ų | 59 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.4 | -35.3 | -176.9 | 19.5 | -33.2 | 0 | 0 | 0 | 113.1 | D125 N130 K131 | D125-P127 WeakPolarHBondContact O-CD 3.45Å; P127-N130 PolarHBondContact O-N 3.25Å; P127-K131 WeakPolarHBondContact O-CB 3.28Å; P127-K131 PolarHBondContact O-N 3.04Å |
| 128 | V | 62.9 | Low | 59.6 | Low | 27 Ų | 27 | 60.6 Ų | 60.6 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 177.3 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | D126 K131 W132 D146 L150 | D126-V128 PolarHBondContact O-N 2.9Å; V128-K131 PolarHBondContact O-N 2.86Å; V128-W132 WeakPolarHBondContact O-CB 3.46Å; V128-W132 PolarHBondContact O-N 3.09Å; V128-D146 HydrophobicContact CG1-CB 4.32Å; V128-L150 HydrophobicContact CB-CB 4.16Å; V128-L150 HydrophobicContact CB-CD1 3.84Å; V128-L150 HydrophobicContact CG1-CB 3.94Å; V128-L150 HydrophobicContact CG1-CD1 3.9Å |
| 129 | F | 62.2 | Low | 59.2 | Low | 51 Ų | 51 | 59.7 Ų | 59.7 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 176.5 | -170.7 | -118.3 | 0 | 0 | 0 | 111.2 | I123 D126 W132 L133 L150 | I123-F129 HydrophobicContact CG2-CB 4.4Å; I123-F129 HydrophobicContact CG2-CD1 3.85Å; I123-F129 HydrophobicContact CG2-CD2 4.11Å; I123-F129 HydrophobicContact CG2-CE1 4.08Å; I123-F129 HydrophobicContact CG2-CE2 4.33Å; I123-F129 HydrophobicContact CG2-CG 3.86Å; I123-F129 HydrophobicContact CG2-CZ 4.32Å; I123-F129 VanDerWaalsContact O-CD1 3.26Å; I123-F129 WeakPolarHBondContact O-CD1 3.19Å; D126-F129 HydrophobicContact CB-CB 3.93Å; D126-F129 WeakPolarHBondContact O-CB 3.32Å; D126-F129 PolarHBondContact O-N 2.86Å; F129-W132 HydrophobicContact CD2-CE3 4.27Å; F129-W132 HydrophobicContact CE2-CE3 4.11Å; F129-W132 HydrophobicContact CE2-CZ3 4.13Å; F129-W132 PolarHBondContact O-N 3Å; F129-L133 HydrophobicContact CD1-CD1 3.8Å; F129-L133 HydrophobicContact CE1-CD1 3.42Å; F129-L133 VanDerWaalsContact CE1-CD1 3.42Å; F129-L133 HydrophobicContact CE2-CD1 4.34Å; F129-L133 HydrophobicContact CG-CD1 4.42Å; F129-L133 HydrophobicContact CZ-CD1 3.72Å; F129-L133 WeakPolarHBondContact O-CB 3.43Å; F129-L133 PolarHBondContact O-N 3.34Å; F129-L150 VanDerWaalsContact CA-CD1 3.48Å; F129-L150 HydrophobicContact CB-CD1 3.58Å; F129-L150 HydrophobicContact CD2-CD1 4.2Å; F129-L150 HydrophobicContact CG-CD1 4.38Å |
| 130 | N | 60.2 | Low | 58.9 | Low | 27 Ų | 27 | 65.7 Ų | 65.7 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.6 | -74.8 | -86.2 | 0 | 0 | 0 | 111.7 | A124 D126 P127 L133 N134 K1465 | A124-N130 PolarHBondContact O-ND2 2.94Å; A124-N130 PolarHBondContact O-OD1 2.83Å; D126-N130 PolarHBondContact O-N 3.23Å; D126-N130 PolarHBondContact O-ND2 3.18Å; P127-N130 PolarHBondContact O-N 3.25Å; N130-L133 PolarHBondContact O-N 3.31Å; N130-N134 WeakPolarHBondContact O-CB 3.47Å; N130-N134 PolarHBondContact O-N 3.43Å; N130-N134 PolarHBondContact O-ND2 3.2Å; N130-K1465 WeakPolarHBondContact OD1-CE 3.43Å; N130-K1465 PolarHBondContact OD1-NZ 3.05Å |
| 131 | K | 63.2 | Low | 58.5 | Low | 90 Ų | 90 | 67.2 Ų | 67.2 | 39% | 0.391 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 174.9 | -160 | -174.9 | -173.1 | -168.3 | 0 | 111.4 | P127 V128 L133 N134 E135 E143 | P127-K131 WeakPolarHBondContact O-CB 3.28Å; P127-K131 PolarHBondContact O-N 3.04Å; V128-K131 PolarHBondContact O-N 2.86Å; K131-L133 VanDerWaalsContact C-N 3.34Å; K131-L133 PolarHBondContact O-N 3Å; K131-N134 PolarHBondContact O-N 3.48Å; K131-E135 PolarHBondContact O-N 3.33Å; K131-E143 IonicContact NZ-OE1 3.45Å; K131-E143 PolarHBondContact NZ-OE1 3.03Å |
| 132 | W | 62.9 | Low | 58.3 | Low | 88 Ų | 88 | 75 Ų | 75 | 33% | 0.333 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -35.3 | 177.8 | 179.8 | 80.7 | 0 | 0 | 0 | 113.9 | V128 F129 F139 W147 | V128-W132 WeakPolarHBondContact O-CB 3.46Å; V128-W132 PolarHBondContact O-N 3.09Å; F129-W132 HydrophobicContact CD2-CE3 4.27Å; F129-W132 HydrophobicContact CE2-CE3 4.11Å; F129-W132 HydrophobicContact CE2-CZ3 4.13Å; F129-W132 PolarHBondContact O-N 3Å; W132-F139 HydrophobicContact CB-CE2 4.06Å; W132-F139 HydrophobicContact CB-CZ 4.49Å; W132-F139 AromaticContact CD1-CE2 3.68Å; W132-F139 HydrophobicContact CG-CE2 4.29Å; W132-W147 AromaticContact CD1-CD1 3.62Å; W132-W147 AromaticContact CD1-NE1 3.36Å; W132-W147 AromaticContact CE2-NE1 3.93Å; W132-W147 AromaticContact CG-NE1 3.69Å; W132-W147 AromaticContact NE1-NE1 3.49Å |
| 133 | L | 55.8 | Low | 57.9 | Low | 59 Ų | 59 | 71.2 Ų | 71.2 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.9 | -44.2 | 172.8 | -99.4 | 154.4 | 0 | 0 | 0 | 112.4 | F129 N130 K131 Y1469 | F129-L133 HydrophobicContact CD1-CD1 3.8Å; F129-L133 HydrophobicContact CE1-CD1 3.42Å; F129-L133 VanDerWaalsContact CE1-CD1 3.42Å; F129-L133 HydrophobicContact CE2-CD1 4.34Å; F129-L133 HydrophobicContact CG-CD1 4.42Å; F129-L133 HydrophobicContact CZ-CD1 3.72Å; F129-L133 WeakPolarHBondContact O-CB 3.43Å; F129-L133 PolarHBondContact O-N 3.34Å; N130-L133 PolarHBondContact O-N 3.31Å; K131-L133 VanDerWaalsContact C-N 3.34Å; K131-L133 PolarHBondContact O-N 3Å; L133-Y1469 HydrophobicContact CD2-CE1 4.4Å; L133-Y1469 HydrophobicContact CD2-CE2 4.14Å; L133-Y1469 PolarHBondContact O-OH 2.93Å |
| 134 | N | 55.9 | Low | 57.8 | Low | 113 Ų | 113 | 71.3 Ų | 71.3 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -79 | -35.9 | -173.2 | -66.4 | -14.2 | 0 | 0 | 0 | 113.5 | N130 K131 | N130-N134 WeakPolarHBondContact O-CB 3.47Å; N130-N134 PolarHBondContact O-N 3.43Å; N130-N134 PolarHBondContact O-ND2 3.2Å; K131-N134 PolarHBondContact O-N 3.48Å |
| 135 | E | 60.1 | Low | 57.8 | Low | 96 Ų | 96 | 76.2 Ų | 76.2 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | trans | -133.8 | 62.5 | -168.7 | -64 | 178.6 | 163.5 | 0 | 0 | 112.3 | K131 D137 I138 | K131-E135 PolarHBondContact O-N 3.33Å; E135-D137 PolarHBondContact O-N 3.06Å; E135-I138 HydrophobicContact CB-CD1 4.46Å | ||
| 136 | P | 50.6 | Low | 57.9 | Low | 62 Ų | 62 | 77.2 Ų | 77.2 | 40% | 0.403 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.8 | -174.5 | 30.4 | -37.8 | 0 | 0 | 0 | 115 | ||
| 137 | D | 51.1 | Low | 57.9 | Low | 105 Ų | 105 | 77.8 Ų | 77.8 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -17.9 | -171.2 | -70.4 | -54.9 | 0 | 0 | 0 | 114.6 | E135 N349 | E135-D137 PolarHBondContact O-N 3.06Å; D137-N349 PolarHBondContact OD1-ND2 3.23Å |
| 138 | I | 54.6 | Low | 57.5 | Low | 101 Ų | 101 | 75.2 Ų | 75.2 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | trans | -91.7 | -10.3 | -169.7 | -62.1 | 175.7 | 0 | 0 | 0 | 112.9 | E135 E140 | E135-I138 HydrophobicContact CB-CD1 4.46Å; I138-E140 PolarHBondContact O-N 2.94Å | ||
| 139 | F | 53.9 | Low | 57.5 | Low | 33 Ų | 33 | 76.6 Ų | 76.6 | 15% | 0.145 | 39% | 0.387 | C | S | . | . | trans | -59.9 | 88.8 | -166.4 | -112.4 | -83.3 | 0 | 0 | 0 | 116.3 | W132 E143 W147 | W132-F139 HydrophobicContact CB-CE2 4.06Å; W132-F139 HydrophobicContact CB-CZ 4.49Å; W132-F139 AromaticContact CD1-CE2 3.68Å; W132-F139 HydrophobicContact CG-CE2 4.29Å; F139-E143 WeakPolarHBondContact CA-OE2 3.49Å; F139-E143 HydrophobicContact CD1-CB 3.84Å; F139-E143 HydrophobicContact CE1-CB 3.71Å; F139-E143 WeakPolarHBondContact CE1-O 3.34Å; F139-E143 HydrophobicContact CZ-CB 4.3Å; F139-W147 HydrophobicContact CE1-CB 3.74Å; F139-W147 HydrophobicContact CE1-CG 4.14Å; F139-W147 HydrophobicContact CZ-CB 4.13Å; F139-W147 AromaticContact CZ-CD1 3.8Å; F139-W147 HydrophobicContact CZ-CG 4.31Å | ||
| 140 | E | 56 | Low | 57.4 | Low | 147 Ų | 147 | 74.3 Ų | 74.3 | 69% | 0.687 | 38% | 0.377 | S | S | * | . | trans | -88.6 | 177.9 | 174.9 | -71.3 | -164.8 | 167.2 | 0 | 0 | 113.3 | I138 E142 E143 F144 | I138-E140 PolarHBondContact O-N 2.94Å; E140-E142 VanDerWaalsContact C-N 3.3Å; E140-E142 PolarHBondContact O-N 3.28Å; E140-E143 PolarHBondContact O-N 2.79Å; E140-F144 PolarHBondContact O-N 2.84Å | ||
| 141 | T | 53.7 | Low | 57.4 | Low | 101 Ų | 101 | 73.2 Ų | 73.2 | 62% | 0.62 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.2 | -171.2 | 38.5 | 0 | 0 | 0 | 0 | 114.9 | F365 | T141-F365 HydrophobicContact CG2-CE1 4.43Š|
| 142 | E | 56.3 | Low | 57.2 | Low | 165 Ų | 165 | 74.1 Ų | 74.1 | 77% | 0.771 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -42.9 | 174.8 | -60.7 | -169 | 157.2 | 0 | 0 | 110.9 | E140 F144 I145 | E140-E142 VanDerWaalsContact C-N 3.3Å; E140-E142 PolarHBondContact O-N 3.28Å; E142-F144 PolarHBondContact O-N 3.3Å; E142-I145 WeakPolarHBondContact O-CB 3.46Å; E142-I145 PolarHBondContact O-N 2.82Å |
| 143 | E | 54.5 | Low | 56.9 | Low | 36 Ų | 36 | 74 Ų | 74 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65 | -26 | 176.9 | -55.2 | -158.5 | 122 | 0 | 0 | 113 | K131 F139 E140 I145 D146 W147 | K131-E143 IonicContact NZ-OE1 3.45Å; K131-E143 PolarHBondContact NZ-OE1 3.03Å; F139-E143 WeakPolarHBondContact CA-OE2 3.49Å; F139-E143 HydrophobicContact CD1-CB 3.84Å; F139-E143 HydrophobicContact CE1-CB 3.71Å; F139-E143 WeakPolarHBondContact CE1-O 3.34Å; F139-E143 HydrophobicContact CZ-CB 4.3Å; E140-E143 PolarHBondContact O-N 2.79Å; E143-I145 PolarHBondContact O-N 3.19Å; E143-D146 PolarHBondContact O-N 2.97Å; E143-D146 VanDerWaalsContact O-N 3.09Å; E143-W147 PolarHBondContact O-N 3.44Å |
| 144 | F | 58.2 | Low | 57 | Low | 15 Ų | 15 | 72.7 Ų | 72.7 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.3 | -25.5 | 173.1 | -164.3 | -106.8 | 0 | 0 | 0 | 112.5 | E140 E142 I148 Q356 C360 F365 | E140-F144 PolarHBondContact O-N 2.84Å; E142-F144 PolarHBondContact O-N 3.3Å; F144-I148 HydrophobicContact CD1-CD1 3.76Å; F144-I148 HydrophobicContact CD1-CG1 4.43Å; F144-I148 HydrophobicContact CE1-CD1 3.79Å; F144-I148 HydrophobicContact CE1-CG1 4.35Å; F144-I148 VanDerWaalsContact O-CG1 3.29Å; F144-I148 WeakPolarHBondContact O-CG1 3.1Å; F144-I148 PolarHBondContact O-N 3.44Å; F144-Q356 HydrophobicContact CE2-CB 4.17Å; F144-C360 HydrophobicContact CZ-CB 4.39Å; F144-F365 HydrophobicContact CE1-CD2 4.4Å; F144-F365 HydrophobicContact CE1-CE2 4.24Å |
| 145 | I | 56.9 | Low | 57.1 | Low | 114 Ų | 114 | 69.4 Ų | 69.4 | 59% | 0.585 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -73.4 | -40.7 | 174.9 | -56.5 | 177.1 | 0 | 0 | 0 | 110.8 | E142 E143 W147 I148 S149 | E142-I145 WeakPolarHBondContact O-CB 3.46Å; E142-I145 PolarHBondContact O-N 2.82Å; E143-I145 PolarHBondContact O-N 3.19Å; I145-W147 VanDerWaalsContact C-N 3.32Å; I145-W147 PolarHBondContact O-N 3.19Å; I145-I148 WeakPolarHBondContact O-CB 3.42Å; I145-I148 PolarHBondContact O-N 2.86Å; I145-S149 PolarHBondContact O-N 2.86Å |
| 146 | D | 58.1 | Low | 57.2 | Low | 90 Ų | 90 | 73.1 Ų | 73.1 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 172.7 | -80 | -16 | 0 | 0 | 0 | 111.4 | V128 E143 I148 S149 L150 | V128-D146 HydrophobicContact CG1-CB 4.32Å; E143-D146 PolarHBondContact O-N 2.97Å; E143-D146 VanDerWaalsContact O-N 3.09Å; D146-I148 VanDerWaalsContact C-N 3.32Å; D146-I148 PolarHBondContact O-N 3.06Å; D146-S149 WeakPolarHBondContact O-CA 3Å; D146-S149 VanDerWaalsContact O-CB 3.31Å; D146-S149 WeakPolarHBondContact O-CB 3.21Å; D146-S149 PolarHBondContact O-N 3.27Å; D146-S149 PolarHBondContact O-OG 3.14Å; D146-L150 PolarHBondContact O-N 3.24Å |
| 147 | W | 62.4 | Low | 57.7 | Low | 16 Ų | 16 | 72.1 Ų | 72.1 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.7 | -32.8 | 174.2 | -160.9 | 92.5 | 0 | 0 | 0 | 112.5 | W132 F139 E143 I145 S149 L150 G151 F353 | W132-W147 AromaticContact CD1-CD1 3.62Å; W132-W147 AromaticContact CD1-NE1 3.36Å; W132-W147 AromaticContact CE2-NE1 3.93Å; W132-W147 AromaticContact CG-NE1 3.69Å; W132-W147 AromaticContact NE1-NE1 3.49Å; F139-W147 HydrophobicContact CE1-CB 3.74Å; F139-W147 HydrophobicContact CE1-CG 4.14Å; F139-W147 HydrophobicContact CZ-CB 4.13Å; F139-W147 AromaticContact CZ-CD1 3.8Å; F139-W147 HydrophobicContact CZ-CG 4.31Å; E143-W147 PolarHBondContact O-N 3.44Å; I145-W147 VanDerWaalsContact C-N 3.32Å; I145-W147 PolarHBondContact O-N 3.19Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-L150 WeakPolarHBondContact O-CB 3.41Å; W147-L150 PolarHBondContact O-N 3.19Å; W147-G151 PolarHBondContact O-N 3.26Å; W147-F353 AromaticContact CH2-CE2 3.78Å; W147-F353 HydrophobicContact CH2-CE2 3.78Å; W147-F353 AromaticContact CH2-CZ 3.55Å; W147-F353 HydrophobicContact CH2-CZ 3.55Å; W147-F353 AromaticContact CZ2-CE2 3.61Å; W147-F353 HydrophobicContact CZ2-CE2 3.61Å; W147-F353 AromaticContact CZ2-CZ 3.51Å; W147-F353 HydrophobicContact CZ2-CZ 3.51Å; W147-F353 HydrophobicContact CZ3-CE2 4.37Å; W147-F353 HydrophobicContact CZ3-CZ 4.47Å |
| 148 | I | 57.8 | Low | 57.9 | Low | 43 Ų | 43 | 69.7 Ų | 69.7 | 22% | 0.221 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 167.6 | -77 | 165.2 | 0 | 0 | 0 | 111.5 | F144 I145 D146 G151 I372 | F144-I148 HydrophobicContact CD1-CD1 3.76Å; F144-I148 HydrophobicContact CD1-CG1 4.43Å; F144-I148 HydrophobicContact CE1-CD1 3.79Å; F144-I148 HydrophobicContact CE1-CG1 4.35Å; F144-I148 VanDerWaalsContact O-CG1 3.29Å; F144-I148 WeakPolarHBondContact O-CG1 3.1Å; F144-I148 PolarHBondContact O-N 3.44Å; I145-I148 WeakPolarHBondContact O-CB 3.42Å; I145-I148 PolarHBondContact O-N 2.86Å; D146-I148 VanDerWaalsContact C-N 3.32Å; D146-I148 PolarHBondContact O-N 3.06Å; I148-G151 WeakPolarHBondContact O-CA 3.42Å; I148-G151 PolarHBondContact O-N 3.05Å; I148-I372 HydrophobicContact CD1-CG2 4.1Å; I148-I372 HydrophobicContact CG1-CG2 4.09Å; I148-I372 HydrophobicContact CG2-CD1 3.46Å; I148-I372 VanDerWaalsContact CG2-CD1 3.46Å; I148-I372 HydrophobicContact CG2-CG1 3.93Å; I148-I372 HydrophobicContact CG2-CG2 4.24Å |
| 149 | S | 62.9 | Low | 58.3 | Low | 56 Ų | 56 | 69.1 Ų | 69.1 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 173.6 | 90.9 | 0 | 0 | 0 | 0 | 112.1 | I145 D146 W147 G151 L152 | I145-S149 PolarHBondContact O-N 2.86Å; D146-S149 WeakPolarHBondContact O-CA 3Å; D146-S149 VanDerWaalsContact O-CB 3.31Å; D146-S149 WeakPolarHBondContact O-CB 3.21Å; D146-S149 PolarHBondContact O-N 3.27Å; D146-S149 PolarHBondContact O-OG 3.14Å; W147-S149 VanDerWaalsContact C-N 3.33Å; S149-G151 PolarHBondContact O-N 3.43Å; S149-L152 WeakPolarHBondContact O-CB 3.5Å; S149-L152 PolarHBondContact O-N 3.45Å |
| 150 | L | 61.4 | Low | 58.7 | Low | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -26.9 | 169.1 | 173.1 | 149.8 | 0 | 0 | 0 | 111.3 | V128 F129 D146 W147 L152 K153 L154 | V128-L150 HydrophobicContact CB-CB 4.16Å; V128-L150 HydrophobicContact CB-CD1 3.84Å; V128-L150 HydrophobicContact CG1-CB 3.94Å; V128-L150 HydrophobicContact CG1-CD1 3.9Å; F129-L150 VanDerWaalsContact CA-CD1 3.48Å; F129-L150 HydrophobicContact CB-CD1 3.58Å; F129-L150 HydrophobicContact CD2-CD1 4.2Å; F129-L150 HydrophobicContact CG-CD1 4.38Å; D146-L150 PolarHBondContact O-N 3.24Å; W147-L150 WeakPolarHBondContact O-CB 3.41Å; W147-L150 PolarHBondContact O-N 3.19Å; L150-L152 PolarHBondContact O-N 3.18Å; L150-K153 CarbonylContact O-C 3.58Å; L150-K153 PolarHBondContact O-N 2.82Å; L150-L154 HydrophobicContact CD2-CD1 3.39Å; L150-L154 HydrophobicContact CD2-CG 3.68Å; L150-L154 PolarHBondContact O-N 3.17Å |
| 151 | G | 59.1 | Low | 58.9 | Low | 4 Ų | 4 | 61.3 Ų | 61.3 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -48.8 | -37.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W147 I148 S149 K153 L154 T155 | W147-G151 PolarHBondContact O-N 3.26Å; I148-G151 WeakPolarHBondContact O-CA 3.42Å; I148-G151 PolarHBondContact O-N 3.05Å; S149-G151 PolarHBondContact O-N 3.43Å; G151-K153 VanDerWaalsContact C-N 3.31Å; G151-K153 PolarHBondContact O-N 3.41Å; G151-L154 CarbonylContact O-C 3.6Å; G151-L154 PolarHBondContact O-N 3.3Å; G151-T155 WeakPolarHBondContact O-CG2 3.44Å; G151-T155 PolarHBondContact O-N 3.03Å |
| 152 | L | 58.3 | Low | 59 | Low | 109 Ų | 109 | 58.5 Ų | 58.5 | 57% | 0.571 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -79 | -7.4 | 176.9 | -70.6 | 171.2 | 0 | 0 | 0 | 114.6 | S149 L150 T155 | S149-L152 WeakPolarHBondContact O-CB 3.5Å; S149-L152 PolarHBondContact O-N 3.45Å; L150-L152 PolarHBondContact O-N 3.18Å; L152-T155 VanDerWaalsContact C-OG1 3.29Å; L152-T155 WeakPolarHBondContact CA-OG1 3.37Å; L152-T155 PolarHBondContact O-OG1 2.98Å |
| 153 | K | 57 | Low | 59 | Low | 86 Ų | 86 | 56.5 Ų | 56.5 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -99.4 | -35.2 | 166.9 | -67.9 | 165.3 | -176.7 | 177 | 0 | 110.4 | D126 L150 G151 T155 R156 L157 | D126-K153 HydrophobicContact CB-CD 4.49Å; D126-K153 IonicContact OD1-NZ 2.77Å; D126-K153 PolarHBondContact OD1-NZ 3.18Å; D126-K153 WeakPolarHBondContact OD2-CD 3.3Å; D126-K153 IonicContact OD2-NZ 3.23Å; D126-K153 PolarHBondContact OD2-NZ 3.05Å; L150-K153 CarbonylContact O-C 3.58Å; L150-K153 PolarHBondContact O-N 2.82Å; G151-K153 VanDerWaalsContact C-N 3.31Å; G151-K153 PolarHBondContact O-N 3.41Å; K153-T155 PolarHBondContact O-N 2.93Å; K153-R156 WeakPolarHBondContact O-CA 3.37Å; K153-R156 VanDerWaalsContact O-CB 3.31Å; K153-R156 WeakPolarHBondContact O-CB 3.4Å; K153-R156 PolarHBondContact O-N 2.77Å; K153-L157 PolarHBondContact O-N 2.97Å |
| 154 | L | 57.6 | Low | 59.3 | Low | 32 Ų | 32 | 56.6 Ų | 56.6 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -22.6 | 162.7 | -71.5 | 177.1 | 0 | 0 | 0 | 112.6 | I123 L150 G151 K158 F379 | I123-L154 HydrophobicContact CD1-CD2 4.08Å; L150-L154 HydrophobicContact CD2-CD1 3.39Å; L150-L154 HydrophobicContact CD2-CG 3.68Å; L150-L154 PolarHBondContact O-N 3.17Å; G151-L154 CarbonylContact O-C 3.6Å; G151-L154 PolarHBondContact O-N 3.3Å; L154-K158 WeakPolarHBondContact O-CA 3.31Å; L154-K158 WeakPolarHBondContact O-CB 3.49Å; L154-K158 PolarHBondContact O-N 2.93Å; L154-F379 HydrophobicContact CD1-CE2 4.12Å; L154-F379 HydrophobicContact CD1-CZ 3.86Å |
| 155 | T | 59.2 | Low | 59 | Low | 43 Ų | 43 | 56.3 Ų | 56.3 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.3 | -27.8 | 166.2 | 55 | 0 | 0 | 0 | 0 | 112.7 | G151 L152 K153 K158 N159 L375 | G151-T155 WeakPolarHBondContact O-CG2 3.44Å; G151-T155 PolarHBondContact O-N 3.03Å; L152-T155 VanDerWaalsContact C-OG1 3.29Å; L152-T155 WeakPolarHBondContact CA-OG1 3.37Å; L152-T155 PolarHBondContact O-OG1 2.98Å; K153-T155 PolarHBondContact O-N 2.93Å; T155-K158 CarbonylContact O-C 3.56Å; T155-N159 VanDerWaalsContact O-CB 3.23Å; T155-N159 WeakPolarHBondContact O-CB 3.45Å; T155-N159 PolarHBondContact O-N 3.09Å; T155-N159 PolarHBondContact O-ND2 3.5Å; T155-N159 PolarHBondContact O-OD1 3.16Å; T155-L375 HydrophobicContact CG2-CD1 3.8Å |
| 156 | R | 61.6 | Low | 58.8 | Low | 174 Ų | 174 | 54.4 Ų | 54.4 | 66% | 0.657 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.6 | -41 | 169.5 | -63 | -173.6 | -177.2 | -179.7 | 0.9 | 111.6 | K153 N159 S160 | K153-R156 WeakPolarHBondContact O-CA 3.37Å; K153-R156 VanDerWaalsContact O-CB 3.31Å; K153-R156 WeakPolarHBondContact O-CB 3.4Å; K153-R156 PolarHBondContact O-N 2.77Å; R156-N159 CarbonylContact O-C 3.45Å; R156-N159 PolarHBondContact O-N 3.34Å; R156-N159 VanDerWaalsContact O-N 3.13Å; R156-S160 PolarHBondContact O-N 2.97Å |
| 157 | L | 61.9 | Low | 58.8 | Low | 42 Ų | 42 | 52.8 Ų | 52.8 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.2 | -30.7 | 172.7 | -165.6 | 147.2 | 0 | 0 | 0 | 112 | L120 I123 K153 N159 S160 A161 | L120-L157 HydrophobicContact CG-CD1 4.38Å; I123-L157 HydrophobicContact CD1-CB 3.52Å; I123-L157 HydrophobicContact CD1-CD1 3.84Å; I123-L157 HydrophobicContact CD1-CG 4.31Å; I123-L157 HydrophobicContact CG1-CB 4.46Å; I123-L157 HydrophobicContact CG1-CD1 4.22Å; K153-L157 PolarHBondContact O-N 2.97Å; L157-N159 VanDerWaalsContact C-N 3.27Å; L157-N159 PolarHBondContact O-N 2.97Å; L157-S160 WeakPolarHBondContact CA-OG 3.37Å; L157-S160 PolarHBondContact O-N 2.89Å; L157-S160 PolarHBondContact O-OG 2.9Å; L157-A161 HydrophobicContact CD2-CB 4.36Å; L157-A161 WeakPolarHBondContact O-CA 3.21Å; L157-A161 WeakPolarHBondContact O-CB 3.47Å; L157-A161 PolarHBondContact O-N 3.12Å |
| 158 | K | 55.8 | Low | 58.4 | Low | 53 Ų | 53 | 53.4 Ų | 53.4 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 164.9 | -174.9 | -174.3 | 174.2 | -174 | 0 | 110.6 | L154 T155 N162 | L154-K158 WeakPolarHBondContact O-CA 3.31Å; L154-K158 WeakPolarHBondContact O-CB 3.49Å; L154-K158 PolarHBondContact O-N 2.93Å; T155-K158 CarbonylContact O-C 3.56Å; K158-N162 VanDerWaalsContact O-CA 3.29Å; K158-N162 WeakPolarHBondContact O-CA 3.35Å; K158-N162 WeakPolarHBondContact O-CB 3.45Å; K158-N162 PolarHBondContact O-N 2.98Å; K158-N162 PolarHBondContact O-OD1 2.87Å |
| 159 | N | 61.6 | Low | 58.1 | Low | 90 Ų | 90 | 54.9 Ų | 54.9 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -80.4 | -31.9 | 177.4 | -72.8 | -6.6 | 0 | 0 | 0 | 112.6 | T155 R156 L157 H163 | T155-N159 VanDerWaalsContact O-CB 3.23Å; T155-N159 WeakPolarHBondContact O-CB 3.45Å; T155-N159 PolarHBondContact O-N 3.09Å; T155-N159 PolarHBondContact O-ND2 3.5Å; T155-N159 PolarHBondContact O-OD1 3.16Å; R156-N159 CarbonylContact O-C 3.45Å; R156-N159 PolarHBondContact O-N 3.34Å; R156-N159 VanDerWaalsContact O-N 3.13Å; L157-N159 VanDerWaalsContact C-N 3.27Å; L157-N159 PolarHBondContact O-N 2.97Å; N159-H163 VanDerWaalsContact O-CB 3.28Å; N159-H163 WeakPolarHBondContact O-CB 3.24Å; N159-H163 PolarHBondContact O-CD2 2.87Å; N159-H163 PolarHBondContact O-N 2.84Å |
| 160 | S | 62.6 | Low | 57.6 | Low | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.6 | -37.4 | 172.1 | 72.3 | 0 | 0 | 0 | 0 | 111.4 | R156 L157 H163 L164 | R156-S160 PolarHBondContact O-N 2.97Å; L157-S160 WeakPolarHBondContact CA-OG 3.37Å; L157-S160 PolarHBondContact O-N 2.89Å; L157-S160 PolarHBondContact O-OG 2.9Å; S160-H163 PolarHBondContact O-N 2.91Å; S160-L164 WeakPolarHBondContact O-CB 3.18Å; S160-L164 PolarHBondContact O-N 3.39Å |
| 161 | A | 59.3 | Low | 57.2 | Low | 10 Ų | 10 | 59.1 Ų | 59.1 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.4 | -20.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F116 L157 S165 | F116-A161 HydrophobicContact CE2-CB 4.49Å; L157-A161 HydrophobicContact CD2-CB 4.36Å; L157-A161 WeakPolarHBondContact O-CA 3.21Å; L157-A161 WeakPolarHBondContact O-CB 3.47Å; L157-A161 PolarHBondContact O-N 3.12Å; A161-S165 WeakPolarHBondContact O-CA 3.17Å; A161-S165 WeakPolarHBondContact O-CB 3.45Å; A161-S165 PolarHBondContact O-N 2.82Å; A161-S165 PolarHBondContact O-OG 2.95Å |
| 162 | N | 56.1 | Low | 56.7 | Low | 41 Ų | 41 | 62.6 Ų | 62.6 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -81.5 | -35.6 | 163.9 | -80.1 | 1.7 | 0 | 0 | 0 | 111 | K158 L164 S165 I166 | K158-N162 VanDerWaalsContact O-CA 3.29Å; K158-N162 WeakPolarHBondContact O-CA 3.35Å; K158-N162 WeakPolarHBondContact O-CB 3.45Å; K158-N162 PolarHBondContact O-N 2.98Å; K158-N162 PolarHBondContact O-OD1 2.87Å; N162-L164 PolarHBondContact O-N 3.13Å; N162-S165 WeakPolarHBondContact CA-OG 3.46Å; N162-S165 CarbonylContact O-C 3.48Å; N162-S165 PolarHBondContact O-N 3.31Å; N162-S165 PolarHBondContact OD1-OG 2.87Å; N162-I166 HydrophobicContact CB-CD1 4.37Å; N162-I166 WeakPolarHBondContact O-CA 3.31Å; N162-I166 WeakPolarHBondContact O-CB 3.3Å; N162-I166 WeakPolarHBondContact O-CD1 3.24Å; N162-I166 WeakPolarHBondContact O-CG1 3.44Å; N162-I166 PolarHBondContact O-N 3.35Å |
| 163 | H | 57.4 | Low | 55.9 | Low | 124 Ų | 124 | 62.5 Ų | 62.5 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.6 | -37.6 | 166.9 | -83.5 | -59 | 0 | 0 | 0 | 110.2 | N159 S160 W167 | N159-H163 VanDerWaalsContact O-CB 3.28Å; N159-H163 WeakPolarHBondContact O-CB 3.24Å; N159-H163 PolarHBondContact O-CD2 2.87Å; N159-H163 PolarHBondContact O-N 2.84Å; S160-H163 PolarHBondContact O-N 2.91Å; H163-W167 WeakPolarHBondContact O-CA 3.36Å; H163-W167 WeakPolarHBondContact O-CB 3.08Å; H163-W167 PolarHBondContact O-N 3.2Å |
| 164 | L | 59.4 | Low | 55.4 | Low | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | 170.5 | -157.6 | 83 | 0 | 0 | 0 | 112.1 | F116 S160 N162 W167 I168 | F116-L164 HydrophobicContact CB-CD1 4.48Å; F116-L164 HydrophobicContact CD2-CD2 4.26Å; F116-L164 HydrophobicContact CE2-CD2 4.32Å; S160-L164 WeakPolarHBondContact O-CB 3.18Å; S160-L164 PolarHBondContact O-N 3.39Å; N162-L164 PolarHBondContact O-N 3.13Å; L164-W167 CarbonylContact O-C 3.58Å; L164-W167 PolarHBondContact O-N 3Å; L164-I168 HydrophobicContact CD2-CD1 4.14Å; L164-I168 HydrophobicContact CG-CD1 3.95Å; L164-I168 VanDerWaalsContact O-CB 3.24Å; L164-I168 WeakPolarHBondContact O-CB 3.38Å; L164-I168 WeakPolarHBondContact O-CD1 3.44Å; L164-I168 WeakPolarHBondContact O-CG1 3.24Å; L164-I168 PolarHBondContact O-N 3.01Å |
| 165 | S | 53.4 | Low | 55 | Low | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -83.6 | -19.6 | -177.9 | 82.2 | 0 | 0 | 0 | 0 | 114 | A161 N162 N169 | A161-S165 WeakPolarHBondContact O-CA 3.17Å; A161-S165 WeakPolarHBondContact O-CB 3.45Å; A161-S165 PolarHBondContact O-N 2.82Å; A161-S165 PolarHBondContact O-OG 2.95Å; N162-S165 WeakPolarHBondContact CA-OG 3.46Å; N162-S165 CarbonylContact O-C 3.48Å; N162-S165 PolarHBondContact O-N 3.31Å; N162-S165 PolarHBondContact OD1-OG 2.87Å; S165-N169 WeakPolarHBondContact O-CA 3.44Å; S165-N169 WeakPolarHBondContact O-CB 3.43Å; S165-N169 PolarHBondContact O-N 3.13Å; S165-N169 PolarHBondContact O-ND2 3.45Å; S165-N169 VanDerWaalsContact O-ND2 3.09Å |
| 166 | I | 51.9 | Low | 54.4 | Low | 74 Ų | 74 | 66.7 Ų | 66.7 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -77.5 | -46.2 | 164.3 | -67.7 | 164.6 | 0 | 0 | 0 | 107.5 | N162 I168 N169 D170 Y171 | N162-I166 HydrophobicContact CB-CD1 4.37Å; N162-I166 WeakPolarHBondContact O-CA 3.31Å; N162-I166 WeakPolarHBondContact O-CB 3.3Å; N162-I166 WeakPolarHBondContact O-CD1 3.24Å; N162-I166 WeakPolarHBondContact O-CG1 3.44Å; N162-I166 PolarHBondContact O-N 3.35Å; I166-I168 PolarHBondContact O-N 3.38Å; I166-I168 VanDerWaalsContact O-N 3.17Å; I166-N169 PolarHBondContact O-N 3.35Å; I166-D170 WeakPolarHBondContact CG2-OD2 3.39Å; I166-D170 VanDerWaalsContact O-CB 3.26Å; I166-D170 WeakPolarHBondContact O-CB 3.14Å; I166-D170 PolarHBondContact O-N 3.47Å; I166-Y171 WeakPolarHBondContact O-CD2 3.39Å |
| 167 | W | 58.1 | Low | 53.6 | Low | 55 Ų | 55 | 65.4 Ų | 65.4 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -20.3 | 171.3 | -168.1 | 84.5 | 0 | 0 | 0 | 113.5 | H163 L164 Y171 F190 | H163-W167 WeakPolarHBondContact O-CA 3.36Å; H163-W167 WeakPolarHBondContact O-CB 3.08Å; H163-W167 PolarHBondContact O-N 3.2Å; L164-W167 CarbonylContact O-C 3.58Å; L164-W167 PolarHBondContact O-N 3Å; W167-Y171 VanDerWaalsContact CA-CD2 3.43Å; W167-Y171 HydrophobicContact CB-CD2 4.44Å; W167-Y171 HydrophobicContact CB-CE2 4.45Å; W167-Y171 AromaticContact CD1-CE2 3.95Å; W167-Y171 HydrophobicContact CG-CD2 4.37Å; W167-Y171 HydrophobicContact CG-CE2 4.41Å; W167-Y171 VanDerWaalsContact O-CB 3.28Å; W167-Y171 WeakPolarHBondContact O-CB 3.5Å; W167-Y171 WeakPolarHBondContact O-CD2 3.23Å; W167-F190 HydrophobicContact CE3-CD2 4.28Å; W167-F190 HydrophobicContact CH2-CB 3.84Å; W167-F190 AromaticContact CH2-CD2 3.29Å; W167-F190 HydrophobicContact CH2-CD2 3.29Å; W167-F190 AromaticContact CH2-CE2 4Å; W167-F190 HydrophobicContact CH2-CE2 4Å; W167-F190 AromaticContact CH2-CG 3.75Å; W167-F190 HydrophobicContact CH2-CG 3.75Å; W167-F190 HydrophobicContact CZ2-CB 3.77Å; W167-F190 AromaticContact CZ2-CD2 3.79Å; W167-F190 HydrophobicContact CZ2-CD2 3.79Å; W167-F190 HydrophobicContact CZ2-CG 4.15Å; W167-F190 AromaticContact CZ3-CD2 3.56Å; W167-F190 HydrophobicContact CZ3-CD2 3.56Å; W167-F190 AromaticContact CZ3-CE2 3.83Å; W167-F190 HydrophobicContact CZ3-CE2 3.83Å; W167-F190 HydrophobicContact CZ3-CG 4.43Å |
| 168 | I | 55.2 | Low | 52.8 | Low | 29 Ų | 29 | 65.2 Ų | 65.2 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -93.1 | -45.7 | 170.6 | -73 | 162.8 | 0 | 0 | 0 | 111.2 | L164 I166 L172 L406 I410 | L164-I168 HydrophobicContact CD2-CD1 4.14Å; L164-I168 HydrophobicContact CG-CD1 3.95Å; L164-I168 VanDerWaalsContact O-CB 3.24Å; L164-I168 WeakPolarHBondContact O-CB 3.38Å; L164-I168 WeakPolarHBondContact O-CD1 3.44Å; L164-I168 WeakPolarHBondContact O-CG1 3.24Å; L164-I168 PolarHBondContact O-N 3.01Å; I166-I168 PolarHBondContact O-N 3.38Å; I166-I168 VanDerWaalsContact O-N 3.17Å; I168-L172 HydrophobicContact CG2-CD1 3.57Å; I168-L172 HydrophobicContact CG2-CG 4.23Å; I168-L172 WeakPolarHBondContact O-CA 3.47Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 WeakPolarHBondContact O-CG 3.17Å; I168-L172 PolarHBondContact O-N 3.21Å; I168-L406 HydrophobicContact CG2-CD2 4.06Å; I168-I410 HydrophobicContact CD1-CD1 4.07Å |
| 169 | N | 51.4 | Low | 52.7 | Low | 74 Ų | 74 | 65.8 Ų | 65.8 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -79.5 | -47.8 | -173.1 | -69.6 | -25.4 | 0 | 0 | 0 | 113.3 | S165 I166 Y171 L172 L173 | S165-N169 WeakPolarHBondContact O-CA 3.44Å; S165-N169 WeakPolarHBondContact O-CB 3.43Å; S165-N169 PolarHBondContact O-N 3.13Å; S165-N169 PolarHBondContact O-ND2 3.45Å; S165-N169 VanDerWaalsContact O-ND2 3.09Å; I166-N169 PolarHBondContact O-N 3.35Å; N169-Y171 PolarHBondContact O-N 3.04Å; N169-L172 PolarHBondContact O-N 3.07Å; N169-L173 WeakPolarHBondContact O-CB 3.5Å; N169-L173 WeakPolarHBondContact O-CG 3.19Å; N169-L173 PolarHBondContact O-N 2.9Å |
| 170 | D | 51.3 | Low | 52.3 | Low | 81 Ų | 81 | 64.5 Ų | 64.5 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 175.6 | -65.9 | 8 | 0 | 0 | 0 | 109 | I166 L173 I174 | I166-D170 WeakPolarHBondContact CG2-OD2 3.39Å; I166-D170 VanDerWaalsContact O-CB 3.26Å; I166-D170 WeakPolarHBondContact O-CB 3.14Å; I166-D170 PolarHBondContact O-N 3.47Å; D170-L173 PolarHBondContact O-N 3.27Å; D170-I174 WeakPolarHBondContact O-CB 3.38Å; D170-I174 WeakPolarHBondContact O-CD1 3.3Å; D170-I174 WeakPolarHBondContact O-CG1 3.45Å; D170-I174 PolarHBondContact O-N 3.1Å |
| 171 | Y | 52.4 | Low | 51.9 | Low | 67 Ų | 67 | 65 Ų | 65 | 26% | 0.263 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -84.8 | -25.6 | -174.8 | -57 | -106.6 | 0 | 0 | 0 | 112.4 | I166 W167 N169 I174 Y175 Y186 | I166-Y171 WeakPolarHBondContact O-CD2 3.39Å; W167-Y171 VanDerWaalsContact CA-CD2 3.43Å; W167-Y171 HydrophobicContact CB-CD2 4.44Å; W167-Y171 HydrophobicContact CB-CE2 4.45Å; W167-Y171 AromaticContact CD1-CE2 3.95Å; W167-Y171 HydrophobicContact CG-CD2 4.37Å; W167-Y171 HydrophobicContact CG-CE2 4.41Å; W167-Y171 VanDerWaalsContact O-CB 3.28Å; W167-Y171 WeakPolarHBondContact O-CB 3.5Å; W167-Y171 WeakPolarHBondContact O-CD2 3.23Å; N169-Y171 PolarHBondContact O-N 3.04Å; Y171-I174 HydrophobicContact CD1-CD1 4.38Å; Y171-I174 PolarHBondContact O-N 3.45Å; Y171-Y175 WeakPolarHBondContact O-CB 3.48Å; Y171-Y175 WeakPolarHBondContact O-CD2 3.45Å; Y171-Y175 PolarHBondContact O-N 2.65Å; Y171-Y186 AromaticContact CD1-CD1 3.9Å; Y171-Y186 HydrophobicContact CD1-CD1 3.9Å; Y171-Y186 AromaticContact CD1-CD2 3.62Å; Y171-Y186 HydrophobicContact CD1-CD2 3.62Å; Y171-Y186 HydrophobicContact CD1-CE1 4.13Å; Y171-Y186 AromaticContact CD1-CE2 3.85Å; Y171-Y186 HydrophobicContact CD1-CE2 3.85Å; Y171-Y186 AromaticContact CD1-CG 3.65Å; Y171-Y186 HydrophobicContact CD1-CG 3.65Å; Y171-Y186 AromaticContact CE1-CD1 3.58Å; Y171-Y186 HydrophobicContact CE1-CD1 3.58Å; Y171-Y186 HydrophobicContact CE1-CD2 4.12Å; Y171-Y186 AromaticContact CE1-CE1 3.6Å; Y171-Y186 HydrophobicContact CE1-CE1 3.6Å; Y171-Y186 HydrophobicContact CE1-CE2 4.13Å; Y171-Y186 AromaticContact CE1-CG 3.86Å; Y171-Y186 HydrophobicContact CE1-CG 3.86Å; Y171-Y186 AromaticContact CE1-CZ 3.88Å |
| 172 | L | 49.7 | Very low | 51.8 | Low | 78 Ų | 78 | 67.2 Ų | 67.2 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69 | -34.6 | 164.2 | -82.3 | 173.3 | 0 | 0 | 0 | 111.7 | I168 N169 Y175 K176 | I168-L172 HydrophobicContact CG2-CD1 3.57Å; I168-L172 HydrophobicContact CG2-CG 4.23Å; I168-L172 WeakPolarHBondContact O-CA 3.47Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 WeakPolarHBondContact O-CG 3.17Å; I168-L172 PolarHBondContact O-N 3.21Å; N169-L172 PolarHBondContact O-N 3.07Å; L172-Y175 VanDerWaalsContact O-CB 3.29Å; L172-Y175 WeakPolarHBondContact O-CB 3.41Å; L172-Y175 PolarHBondContact O-N 3.43Å; L172-K176 PolarHBondContact O-N 3.26Å; L172-K176 VanDerWaalsContact O-N 3.08Å |
| 173 | L | 41 | Very low | 51.9 | Low | 107 Ų | 107 | 65.9 Ų | 65.9 | 56% | 0.56 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.4 | -37.5 | 172.3 | -75.9 | 164.8 | 0 | 0 | 0 | 111.5 | N169 D170 K176 N177 | N169-L173 WeakPolarHBondContact O-CB 3.5Å; N169-L173 WeakPolarHBondContact O-CG 3.19Å; N169-L173 PolarHBondContact O-N 2.9Å; D170-L173 PolarHBondContact O-N 3.27Å; L173-K176 WeakPolarHBondContact O-CB 3.32Å; L173-K176 PolarHBondContact O-N 2.78Å; L173-K176 VanDerWaalsContact O-N 3.08Å; L173-N177 PolarHBondContact O-N 3.49Å |
| 174 | I | 46.5 | Very low | 52.2 | Low | 54 Ų | 54 | 61.1 Ų | 61.1 | 28% | 0.277 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 169.5 | -69.3 | 161.3 | 0 | 0 | 0 | 110.8 | D170 Y171 K176 N177 S178 Y186 | D170-I174 WeakPolarHBondContact O-CB 3.38Å; D170-I174 WeakPolarHBondContact O-CD1 3.3Å; D170-I174 WeakPolarHBondContact O-CG1 3.45Å; D170-I174 PolarHBondContact O-N 3.1Å; Y171-I174 HydrophobicContact CD1-CD1 4.38Å; Y171-I174 PolarHBondContact O-N 3.45Å; I174-K176 PolarHBondContact O-N 3.42Å; I174-N177 PolarHBondContact O-N 2.59Å; I174-N177 VanDerWaalsContact O-N 3.13Å; I174-S178 WeakPolarHBondContact CG2-OG 3.47Å; I174-S178 WeakPolarHBondContact O-CB 3.3Å; I174-S178 PolarHBondContact O-N 3.19Å; I174-S178 PolarHBondContact O-OG 3.35Å; I174-Y186 HydrophobicContact CG2-CE2 4.2Å |
| 175 | Y | 48.6 | Very low | 52.5 | Low | 75 Ų | 75 | 60.2 Ų | 60.2 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -26.4 | 169.1 | -109.6 | -83.4 | 0 | 0 | 0 | 113.1 | Y171 L172 S183 F243 | Y171-Y175 WeakPolarHBondContact O-CB 3.48Å; Y171-Y175 WeakPolarHBondContact O-CD2 3.45Å; Y171-Y175 PolarHBondContact O-N 2.65Å; L172-Y175 VanDerWaalsContact O-CB 3.29Å; L172-Y175 WeakPolarHBondContact O-CB 3.41Å; L172-Y175 PolarHBondContact O-N 3.43Å; Y175-S183 VanDerWaalsContact CE2-CB 3.44Å; Y175-F243 HydrophobicContact CE1-CD1 4.3Å; Y175-F243 HydrophobicContact CE1-CE1 4.19Å |
| 176 | K | 46.6 | Very low | 53 | Low | 119 Ų | 119 | 62.1 Ų | 62.1 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -84.4 | -17.5 | 177.8 | -130.7 | 174.1 | -172.3 | 177.1 | 0 | 113.5 | L172 L173 I174 D249 | L172-K176 PolarHBondContact O-N 3.26Å; L172-K176 VanDerWaalsContact O-N 3.08Å; L173-K176 WeakPolarHBondContact O-CB 3.32Å; L173-K176 PolarHBondContact O-N 2.78Å; L173-K176 VanDerWaalsContact O-N 3.08Å; I174-K176 PolarHBondContact O-N 3.42Å; K176-D249 IonicContact NZ-OD1 2.6Å; K176-D249 PolarHBondContact NZ-OD1 3.44Å; K176-D249 IonicContact NZ-OD2 2.68Å |
| 177 | N | 46.3 | Very low | 53.7 | Low | 148 Ų | 148 | 61.9 Ų | 61.9 | 79% | 0.791 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -130.7 | -0.6 | -169.7 | -78.7 | -17.7 | 0 | 0 | 0 | 115.9 | L173 I174 | L173-N177 PolarHBondContact O-N 3.49Å; I174-N177 PolarHBondContact O-N 2.59Å; I174-N177 VanDerWaalsContact O-N 3.13Å |
| 178 | S | 45.5 | Very low | 54.4 | Low | 38 Ų | 38 | 59.3 Ų | 59.3 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -131.1 | 162.8 | -174 | 72.7 | 0 | 0 | 0 | 0 | 114 | I174 | I174-S178 WeakPolarHBondContact CG2-OG 3.47Å; I174-S178 WeakPolarHBondContact O-CB 3.3Å; I174-S178 PolarHBondContact O-N 3.19Å; I174-S178 PolarHBondContact O-OG 3.35Å |
| 179 | S | 52.2 | Low | 55.2 | Low | 65 Ų | 65 | 60.9 Ų | 60.9 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -63.6 | 142.8 | -179.5 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | T181 Q182 | S179-T181 PolarHBondContact O-N 3.34Å; S179-T181 PolarHBondContact OG-OG1 2.89Å; S179-Q182 PolarHBondContact O-N 2.99Å | ||
| 180 | T | 54.6 | Low | 56.1 | Low | 63 Ų | 63 | 58.2 Ų | 58.2 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -3.2 | -177.3 | 49.8 | 0 | 0 | 0 | 0 | 116.7 | S183 | T180-S183 PolarHBondContact O-OG 3.05Å; T180-S183 VanDerWaalsContact O-OG 3.11Å |
| 181 | T | 53.4 | Low | 57.1 | Low | 17 Ų | 17 | 57.1 Ų | 57.1 | 10% | 0.104 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -30.5 | 174 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | S179 L184 E185 L208 K209 | S179-T181 PolarHBondContact O-N 3.34Å; S179-T181 PolarHBondContact OG-OG1 2.89Å; T181-L184 WeakPolarHBondContact O-CB 3.48Å; T181-L184 PolarHBondContact O-N 3.14Å; T181-E185 PolarHBondContact O-N 2.92Å; T181-E185 VanDerWaalsContact O-N 3.07Å; T181-L208 HydrophobicContact CG2-CB 4.13Å; T181-K209 HydrophobicContact CG2-CB 4.03Å; T181-K209 WeakPolarHBondContact OG1-CG 3.42Å |
| 182 | Q | 57.7 | Low | 58.1 | Low | 56 Ų | 56 | 54 Ų | 54 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71 | -36.2 | -179.3 | -65.5 | -160.5 | -93.9 | 0 | 0 | 112.1 | S179 L184 E185 Y186 | S179-Q182 PolarHBondContact O-N 2.99Å; Q182-L184 PolarHBondContact O-N 2.89Å; Q182-E185 WeakPolarHBondContact O-CB 3.18Å; Q182-E185 PolarHBondContact O-N 3.21Å; Q182-Y186 HydrophobicContact CB-CE2 4.24Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.47Å; Q182-Y186 WeakPolarHBondContact O-CE2 3.41Å; Q182-Y186 PolarHBondContact O-N 3.03Å; Q182-Y186 VanDerWaalsContact O-N 3.15Å |
| 183 | S | 56.8 | Low | 59 | Low | 13 Ų | 13 | 50.9 Ų | 50.9 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -37.5 | 171.6 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | Y175 T180 M187 | Y175-S183 VanDerWaalsContact CE2-CB 3.44Å; T180-S183 PolarHBondContact O-OG 3.05Å; T180-S183 VanDerWaalsContact O-OG 3.11Å; S183-M187 WeakPolarHBondContact O-CG 3.36Å; S183-M187 PolarHBondContact O-N 3.31Å; S183-M187 VanDerWaalsContact O-N 3.17Å |
| 184 | L | 63.6 | Low | 60.4 | Low | 24 Ų | 24 | 46.4 Ų | 46.4 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.1 | -42.1 | 175.4 | -60.7 | 174.9 | 0 | 0 | 0 | 111.8 | T181 Q182 Y186 M187 S188 F205 L208 | T181-L184 WeakPolarHBondContact O-CB 3.48Å; T181-L184 PolarHBondContact O-N 3.14Å; Q182-L184 PolarHBondContact O-N 2.89Å; L184-Y186 PolarHBondContact O-N 3.12Å; L184-M187 WeakPolarHBondContact O-CB 3.41Å; L184-M187 PolarHBondContact O-N 3Å; L184-S188 PolarHBondContact O-N 2.93Å; L184-S188 VanDerWaalsContact O-N 3.16Å; L184-F205 HydrophobicContact CB-CB 3.82Å; L184-F205 HydrophobicContact CB-CD1 3.7Å; L184-F205 HydrophobicContact CB-CD2 3.75Å; L184-F205 HydrophobicContact CB-CE1 4.09Å; L184-F205 HydrophobicContact CB-CE2 4.11Å; L184-F205 HydrophobicContact CB-CG 3.5Å; L184-F205 HydrophobicContact CB-CZ 4.28Å; L184-F205 HydrophobicContact CD1-CD1 3.99Å; L184-F205 HydrophobicContact CD1-CE1 4.26Å; L184-F205 HydrophobicContact CD2-CE1 4.29Å; L184-F205 HydrophobicContact CD2-CZ 4.38Å; L184-F205 HydrophobicContact CG-CD1 4.33Å; L184-F205 HydrophobicContact CG-CE1 4.46Å; L184-F205 WeakPolarHBondContact O-CD2 3.31Å; L184-F205 VanDerWaalsContact O-CE2 3.28Å; L184-F205 WeakPolarHBondContact O-CE2 3.47Å; L184-L208 HydrophobicContact CD1-CD1 4.32Å |
| 185 | E | 65.8 | Low | 61.6 | Low | 18 Ų | 18 | 46.9 Ų | 46.9 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -50.5 | -43.5 | 172.6 | -68.7 | 172.4 | 161.1 | 0 | 0 | 111.4 | T181 Q182 S188 A196 F205 I206 K209 | T181-E185 PolarHBondContact O-N 2.92Å; T181-E185 VanDerWaalsContact O-N 3.07Å; Q182-E185 WeakPolarHBondContact O-CB 3.18Å; Q182-E185 PolarHBondContact O-N 3.21Å; E185-S188 PolarHBondContact O-N 2.9Å; E185-S188 PolarHBondContact O-OG 3.23Å; E185-A196 HydrophobicContact CB-CB 4.43Å; E185-F205 HydrophobicContact CG-CB 4.47Å; E185-I206 HydrophobicContact CG-CG1 4.04Å; E185-I206 WeakPolarHBondContact OE1-CG1 3.48Å; E185-K209 WeakPolarHBondContact OE1-CD 3.37Å; E185-K209 WeakPolarHBondContact OE1-CE 3.26Å; E185-K209 IonicContact OE1-NZ 2.79Å; E185-K209 PolarHBondContact OE1-NZ 3.08Å; E185-K209 IonicContact OE2-NZ 2.81Å; E185-K209 PolarHBondContact OE2-NZ 3.31Å |
| 186 | Y | 63.7 | Low | 62.8 | Low | 50 Ų | 50 | 43.4 Ų | 43.4 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.3 | -31.4 | 177.6 | -58.6 | -56.6 | 0 | 0 | 0 | 114.2 | Y171 I174 Q182 L184 S188 Q189 F190 | Y171-Y186 AromaticContact CD1-CD1 3.9Å; Y171-Y186 HydrophobicContact CD1-CD1 3.9Å; Y171-Y186 AromaticContact CD1-CD2 3.62Å; Y171-Y186 HydrophobicContact CD1-CD2 3.62Å; Y171-Y186 HydrophobicContact CD1-CE1 4.13Å; Y171-Y186 AromaticContact CD1-CE2 3.85Å; Y171-Y186 HydrophobicContact CD1-CE2 3.85Å; Y171-Y186 AromaticContact CD1-CG 3.65Å; Y171-Y186 HydrophobicContact CD1-CG 3.65Å; Y171-Y186 AromaticContact CE1-CD1 3.58Å; Y171-Y186 HydrophobicContact CE1-CD1 3.58Å; Y171-Y186 HydrophobicContact CE1-CD2 4.12Å; Y171-Y186 AromaticContact CE1-CE1 3.6Å; Y171-Y186 HydrophobicContact CE1-CE1 3.6Å; Y171-Y186 HydrophobicContact CE1-CE2 4.13Å; Y171-Y186 AromaticContact CE1-CG 3.86Å; Y171-Y186 HydrophobicContact CE1-CG 3.86Å; Y171-Y186 AromaticContact CE1-CZ 3.88Å; I174-Y186 HydrophobicContact CG2-CE2 4.2Å; Q182-Y186 HydrophobicContact CB-CE2 4.24Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.47Å; Q182-Y186 WeakPolarHBondContact O-CE2 3.41Å; Q182-Y186 PolarHBondContact O-N 3.03Å; Q182-Y186 VanDerWaalsContact O-N 3.15Å; L184-Y186 PolarHBondContact O-N 3.12Å; Y186-S188 PolarHBondContact O-N 2.8Å; Y186-Q189 PolarHBondContact O-N 3.42Å; Y186-Q189 VanDerWaalsContact O-N 3.15Å; Y186-F190 PolarHBondContact O-N 2.9Å; Y186-F190 VanDerWaalsContact O-N 3.12Å |
| 187 | M | 67 | Low | 64.1 | Low | 69 Ų | 69 | 43 Ų | 43 | 34% | 0.34 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -31.9 | 170.7 | -69.9 | -138.7 | 73.1 | 0 | 0 | 112.5 | S183 L184 Q189 F190 I191 | S183-M187 WeakPolarHBondContact O-CG 3.36Å; S183-M187 PolarHBondContact O-N 3.31Å; S183-M187 VanDerWaalsContact O-N 3.17Å; L184-M187 WeakPolarHBondContact O-CB 3.41Å; L184-M187 PolarHBondContact O-N 3Å; M187-Q189 VanDerWaalsContact C-N 3.34Å; M187-Q189 PolarHBondContact O-N 3.3Å; M187-F190 PolarHBondContact O-N 2.69Å; M187-I191 WeakPolarHBondContact O-CG1 3.46Å; M187-I191 PolarHBondContact O-N 2.9Å |
| 188 | S | 73.3 | Confident | 65.4 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 174.4 | 77.1 | 0 | 0 | 0 | 0 | 112.9 | L184 E185 Y186 I191 C192 A196 G202 | L184-S188 PolarHBondContact O-N 2.93Å; L184-S188 VanDerWaalsContact O-N 3.16Å; E185-S188 PolarHBondContact O-N 2.9Å; E185-S188 PolarHBondContact O-OG 3.23Å; Y186-S188 PolarHBondContact O-N 2.8Å; S188-I191 PolarHBondContact O-N 3.35Å; S188-C192 WeakPolarHBondContact O-CB 3.13Å; S188-C192 PolarHBondContact O-N 3.21Å; S188-C192 PolarHBondContact O-SG 3.2Å; S188-A196 WeakPolarHBondContact OG-CB 3.02Å; S188-G202 VanDerWaalsContact CB-CA 3.46Å; S188-G202 VanDerWaalsContact OG-CA 3.3Å; S188-G202 WeakPolarHBondContact OG-CA 3.42Å |
| 189 | Q | 71.5 | Confident | 67 | Low | 62 Ų | 62 | 39.4 Ų | 39.4 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.7 | -37.6 | 179.3 | -57.7 | 177.8 | 19.3 | 0 | 0 | 111 | Y186 M187 G193 | Y186-Q189 PolarHBondContact O-N 3.42Å; Y186-Q189 VanDerWaalsContact O-N 3.15Å; M187-Q189 VanDerWaalsContact C-N 3.34Å; M187-Q189 PolarHBondContact O-N 3.3Å; Q189-G193 PolarHBondContact O-N 3.18Å; Q189-G193 VanDerWaalsContact O-N 3.08Å |
| 190 | F | 70.9 | Confident | 68.3 | Low | 19 Ų | 19 | 36.5 Ų | 36.5 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 174.8 | -175.3 | -98.2 | 0 | 0 | 0 | 113 | P112 M113 W167 Y186 M187 F414 | P112-F190 HydrophobicContact CB-CD2 4.5Å; M113-F190 HydrophobicContact CB-CD2 4.48Å; M113-F190 HydrophobicContact CB-CE1 4.12Å; M113-F190 HydrophobicContact CB-CE2 3.84Å; M113-F190 HydrophobicContact CB-CZ 3.64Å; M113-F190 HydrophobicContact CG-CE1 4.32Å; M113-F190 HydrophobicContact CG-CE2 4.45Å; M113-F190 HydrophobicContact CG-CZ 3.84Å; M113-F190 HydrophobicContact SD-CE1 3.7Å; M113-F190 HydrophobicContact SD-CZ 3.75Å; W167-F190 HydrophobicContact CE3-CD2 4.28Å; W167-F190 HydrophobicContact CH2-CB 3.84Å; W167-F190 AromaticContact CH2-CD2 3.29Å; W167-F190 HydrophobicContact CH2-CD2 3.29Å; W167-F190 AromaticContact CH2-CE2 4Å; W167-F190 HydrophobicContact CH2-CE2 4Å; W167-F190 AromaticContact CH2-CG 3.75Å; W167-F190 HydrophobicContact CH2-CG 3.75Å; W167-F190 HydrophobicContact CZ2-CB 3.77Å; W167-F190 AromaticContact CZ2-CD2 3.79Å; W167-F190 HydrophobicContact CZ2-CD2 3.79Å; W167-F190 HydrophobicContact CZ2-CG 4.15Å; W167-F190 AromaticContact CZ3-CD2 3.56Å; W167-F190 HydrophobicContact CZ3-CD2 3.56Å; W167-F190 AromaticContact CZ3-CE2 3.83Å; W167-F190 HydrophobicContact CZ3-CE2 3.83Å; W167-F190 HydrophobicContact CZ3-CG 4.43Å; Y186-F190 PolarHBondContact O-N 2.9Å; Y186-F190 VanDerWaalsContact O-N 3.12Å; M187-F190 PolarHBondContact O-N 2.69Å; F190-F414 HydrophobicContact CE1-CE1 4.46Å; F190-F414 HydrophobicContact CE1-CZ 4.22Å; F190-F414 HydrophobicContact CZ-CZ 4.22Å |
| 191 | I | 71.5 | Confident | 69.5 | Low | 58 Ų | 58 | 34.2 Ų | 34.2 | 30% | 0.297 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -82.5 | -43.7 | -176.2 | -62.4 | 170.9 | 0 | 0 | 0 | 111.9 | I89 M187 S188 L201 | I89-I191 HydrophobicContact CG2-CG2 4.21Å; M187-I191 WeakPolarHBondContact O-CG1 3.46Å; M187-I191 PolarHBondContact O-N 2.9Å; S188-I191 PolarHBondContact O-N 3.35Å; I191-L201 HydrophobicContact CD1-CD2 4.13Å |
| 192 | C | 74 | Confident | 70.6 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -96 | -14.4 | -168 | -56.4 | 0 | 0 | 0 | 0 | 114.6 | C90 S188 S194 N199 | C90-C192 HydrophobicContact CB-CB 3.83Å; C90-C192 WeakPolarHBondContact CB-SG 3.29Å; C90-C192 WeakPolarHBondContact SG-CA 3.21Å; C90-C192 WeakPolarHBondContact SG-CB 3.4Å; C90-C192 CovalentContact SG-SG 2.03Å; C90-C192 PolarHBondContact SG-SG 3.08Å; S188-C192 WeakPolarHBondContact O-CB 3.13Å; S188-C192 PolarHBondContact O-N 3.21Å; S188-C192 PolarHBondContact O-SG 3.2Å; C192-S194 PolarHBondContact O-N 3.11Å; C192-S194 VanDerWaalsContact O-N 3.11Å; C192-N199 HydrophobicContact CB-CB 4.14Å; C192-N199 WeakPolarHBondContact CB-ND2 3.46Å |
| 193 | G | 67.8 | Low | 71.4 | Confident | 12 Ų | 12 | 35 Ų | 35 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 67.1 | 5.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q189 | Q189-G193 PolarHBondContact O-N 3.18Å; Q189-G193 VanDerWaalsContact O-N 3.08Å |
| 194 | S | 71.1 | Confident | 72.3 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -121.9 | 157.1 | 177.2 | 82.4 | 0 | 0 | 0 | 0 | 110.3 | C192 N199 | C192-S194 PolarHBondContact O-N 3.11Å; C192-S194 VanDerWaalsContact O-N 3.11Å; S194-N199 PolarHBondContact O-ND2 2.58Å; S194-N199 VanDerWaalsContact O-ND2 3.13Å; S194-N199 PolarHBondContact OG-ND2 3.36Å |
| 195 | P | 72.3 | Confident | 72.8 | Confident | 63 Ų | 63 | 36.7 Ų | 36.7 | 41% | 0.409 | 18% | 0.182 | S | C | . | . | trans | -60.5 | 150.4 | 175.8 | 26.2 | -35.1 | 0 | 0 | 0 | 111.4 | N197 E198 N199 | P195-N197 PolarHBondContact O-N 3.24Å; P195-E198 WeakPolarHBondContact CD-OE2 3.16Å; P195-E198 HydrophobicContact CG-CB 4.14Å; P195-E198 HydrophobicContact CG-CG 3.85Å; P195-E198 WeakPolarHBondContact CG-OE2 3.31Å; P195-E198 PolarHBondContact O-N 2.94Å; P195-N199 PolarHBondContact O-ND2 2.87Å | ||
| 196 | A | 72.7 | Confident | 73 | Confident | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E185 S188 E198 G202 R203 I206 | E185-A196 HydrophobicContact CB-CB 4.43Å; S188-A196 WeakPolarHBondContact OG-CB 3.02Å; A196-E198 VanDerWaalsContact C-N 3.3Å; A196-E198 PolarHBondContact O-N 2.56Å; A196-G202 CarbonylContact O-C 3.58Å; A196-G202 VanDerWaalsContact O-C 3.22Å; A196-G202 WeakPolarHBondContact O-CA 3.07Å; A196-R203 PolarHBondContact O-N 2.86Å; A196-R203 VanDerWaalsContact O-N 3.08Å; A196-I206 HydrophobicContact CB-CD1 4.07Å |
| 197 | N | 74.3 | Confident | 73 | Confident | 111 Ų | 111 | 36.8 Ų | 36.8 | 59% | 0.594 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -11.7 | 178.4 | -60.3 | 26.9 | 0 | 0 | 0 | 113.2 | P195 R203 I206 | P195-N197 PolarHBondContact O-N 3.24Å; N197-R203 PolarHBondContact O-NE 2.82Å; N197-R203 PolarHBondContact O-NH2 3.48Å; N197-I206 WeakPolarHBondContact OD1-CD1 3.02Å |
| 198 | E | 74.2 | Confident | 72.9 | Confident | 105 Ų | 105 | 34.7 Ų | 34.7 | 49% | 0.491 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -7.9 | -175.3 | -69.6 | -177.3 | 169.9 | 0 | 0 | 114.3 | N97 P195 A196 | N97-E198 PolarHBondContact ND2-O 2.88Å; P195-E198 WeakPolarHBondContact CD-OE2 3.16Å; P195-E198 HydrophobicContact CG-CB 4.14Å; P195-E198 HydrophobicContact CG-CG 3.85Å; P195-E198 WeakPolarHBondContact CG-OE2 3.31Å; P195-E198 PolarHBondContact O-N 2.94Å; A196-E198 VanDerWaalsContact C-N 3.3Å; A196-E198 PolarHBondContact O-N 2.56Å |
| 199 | N | 78.5 | Confident | 72.3 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -122.7 | 157.1 | 176.6 | 64.8 | 63.6 | 0 | 0 | 0 | 112.2 | C90 C192 S194 P195 L201 G202 R203 | C90-N199 HydrophobicContact CB-CB 4.45Å; C192-N199 HydrophobicContact CB-CB 4.14Å; C192-N199 WeakPolarHBondContact CB-ND2 3.46Å; S194-N199 PolarHBondContact O-ND2 2.58Å; S194-N199 VanDerWaalsContact O-ND2 3.13Å; S194-N199 PolarHBondContact OG-ND2 3.36Å; P195-N199 PolarHBondContact O-ND2 2.87Å; N199-L201 PolarHBondContact O-N 3.3Å; N199-G202 WeakPolarHBondContact OD1-CA 3.05Å; N199-G202 PolarHBondContact OD1-N 2.86Å; N199-R203 PolarHBondContact O-N 3.46Å; N199-R203 VanDerWaalsContact O-N 3.13Å |
| 200 | D | 79.4 | Confident | 71.6 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.3 | -32.1 | -173.1 | -69.1 | -33.5 | 0 | 0 | 0 | 113.2 | C90 N91 F92 N93 Y94 T95 F204 | C90-D200 PolarHBondContact O-N 2.83Å; N91-D200 WeakPolarHBondContact CA-OD2 3.36Å; F92-D200 HydrophobicContact CD1-CB 3.77Å; F92-D200 HydrophobicContact CD2-CB 4.46Å; F92-D200 HydrophobicContact CE1-CB 3.5Å; F92-D200 VanDerWaalsContact CE1-CB 3.5Å; F92-D200 HydrophobicContact CE2-CB 4.23Å; F92-D200 HydrophobicContact CG-CB 4.25Å; F92-D200 HydrophobicContact CZ-CB 3.75Å; F92-D200 PolarHBondContact N-OD2 2.91Å; N93-D200 WeakPolarHBondContact CA-OD2 3.33Å; N93-D200 HydrophobicContact CB-CB 4.25Å; N93-D200 PolarHBondContact N-OD2 2.9Å; Y94-D200 PolarHBondContact N-OD2 3.33Å; T95-D200 VanDerWaalsContact CB-OD1 3.23Å; T95-D200 WeakPolarHBondContact CB-OD1 3.07Å; T95-D200 WeakPolarHBondContact CG2-OD1 3.35Å; T95-D200 PolarHBondContact OG1-OD1 3.09Å; D200-F204 WeakPolarHBondContact O-CB 3.22Å; D200-F204 PolarHBondContact O-N 2.82Å |
| 201 | L | 81.1 | Confident | 70.7 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.3 | -44.3 | -180 | -166 | 73 | 0 | 0 | 0 | 111 | I89 I191 N199 F204 F205 | I89-L201 HydrophobicContact CG2-CD1 4.14Å; I89-L201 HydrophobicContact CG2-CD2 3.82Å; I89-L201 HydrophobicContact CG2-CG 4.45Å; I191-L201 HydrophobicContact CD1-CD2 4.13Å; N199-L201 PolarHBondContact O-N 3.3Å; L201-F204 WeakPolarHBondContact O-CB 3.39Å; L201-F204 PolarHBondContact O-N 2.81Å; L201-F205 HydrophobicContact CD1-CE2 4.21Å; L201-F205 HydrophobicContact CD1-CZ 3.99Å; L201-F205 HydrophobicContact CD2-CE2 3.89Å; L201-F205 HydrophobicContact CD2-CZ 4.28Å; L201-F205 HydrophobicContact CG-CD2 4.25Å; L201-F205 HydrophobicContact CG-CE2 3.57Å; L201-F205 HydrophobicContact CG-CZ 3.88Å; L201-F205 WeakPolarHBondContact O-CD2 3.29Å; L201-F205 VanDerWaalsContact O-CG 3.28Å; L201-F205 WeakPolarHBondContact O-CG 3.46Å; L201-F205 PolarHBondContact O-N 3.05Å |
| 202 | G | 76.4 | Confident | 69.4 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S188 A196 N199 F204 F205 I206 | S188-G202 VanDerWaalsContact CB-CA 3.46Å; S188-G202 VanDerWaalsContact OG-CA 3.3Å; S188-G202 WeakPolarHBondContact OG-CA 3.42Å; A196-G202 CarbonylContact O-C 3.58Å; A196-G202 VanDerWaalsContact O-C 3.22Å; A196-G202 WeakPolarHBondContact O-CA 3.07Å; N199-G202 WeakPolarHBondContact OD1-CA 3.05Å; N199-G202 PolarHBondContact OD1-N 2.86Å; G202-F204 VanDerWaalsContact C-N 3.28Å; G202-F204 PolarHBondContact O-N 2.9Å; G202-F205 PolarHBondContact O-N 3.14Å; G202-F205 VanDerWaalsContact O-N 3.1Å; G202-I206 VanDerWaalsContact O-CG1 3.29Å; G202-I206 WeakPolarHBondContact O-CG1 3.43Å; G202-I206 PolarHBondContact O-N 2.89Å |
| 203 | R | 74.4 | Confident | 67.8 | Low | 89 Ų | 89 | 55.4 Ų | 55.4 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.5 | -34.6 | 173.6 | -70.2 | -165 | -165.9 | 168.3 | 12.6 | 112.6 | T95 N97 A196 N197 N199 I206 A207 | T95-R203 VanDerWaalsContact CG2-NH1 3.32Å; N97-R203 PolarHBondContact OD1-NH2 2.92Å; A196-R203 PolarHBondContact O-N 2.86Å; A196-R203 VanDerWaalsContact O-N 3.08Å; N197-R203 PolarHBondContact O-NE 2.82Å; N197-R203 PolarHBondContact O-NH2 3.48Å; N199-R203 PolarHBondContact O-N 3.46Å; N199-R203 VanDerWaalsContact O-N 3.13Å; R203-I206 PolarHBondContact O-N 3.42Å; R203-A207 WeakPolarHBondContact O-CB 3.34Å; R203-A207 PolarHBondContact O-N 2.68Å |
| 204 | F | 74.8 | Confident | 66.4 | Low | 48 Ų | 48 | 63.9 Ų | 63.9 | 21% | 0.211 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 172 | 168.6 | -119.9 | 0 | 0 | 0 | 111.9 | F92 D200 L201 G202 A207 L208 F275 | F92-F204 HydrophobicContact CZ-CB 4.42Å; D200-F204 WeakPolarHBondContact O-CB 3.22Å; D200-F204 PolarHBondContact O-N 2.82Å; L201-F204 WeakPolarHBondContact O-CB 3.39Å; L201-F204 PolarHBondContact O-N 2.81Å; G202-F204 VanDerWaalsContact C-N 3.28Å; G202-F204 PolarHBondContact O-N 2.9Å; F204-A207 PolarHBondContact O-N 3.31Å; F204-L208 HydrophobicContact CE1-CD1 4.17Å; F204-L208 HydrophobicContact CE2-CD1 4.28Å; F204-L208 HydrophobicContact CE2-CD2 4.12Å; F204-L208 HydrophobicContact CE2-CG 4.15Å; F204-L208 HydrophobicContact CZ-CD1 3.9Å; F204-L208 HydrophobicContact CZ-CD2 4.3Å; F204-L208 HydrophobicContact CZ-CG 4.27Å; F204-L208 PolarHBondContact O-N 2.86Å; F204-F275 HydrophobicContact CD2-CZ 4.01Å; F204-F275 HydrophobicContact CE2-CE1 4.46Å; F204-F275 HydrophobicContact CE2-CE2 4.41Å; F204-F275 AromaticContact CE2-CZ 3.59Å; F204-F275 HydrophobicContact CE2-CZ 3.59Å; F204-F275 AromaticContact CZ-CZ 3.87Å; F204-F275 HydrophobicContact CZ-CZ 3.87Å |
| 205 | F | 73.4 | Confident | 64.6 | Low | 25 Ų | 25 | 72.3 Ų | 72.3 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.3 | -33.5 | 177.2 | -60.2 | -37.9 | 0 | 0 | 0 | 113.4 | L184 E185 L201 G202 L208 | L184-F205 HydrophobicContact CB-CB 3.82Å; L184-F205 HydrophobicContact CB-CD1 3.7Å; L184-F205 HydrophobicContact CB-CD2 3.75Å; L184-F205 HydrophobicContact CB-CE1 4.09Å; L184-F205 HydrophobicContact CB-CE2 4.11Å; L184-F205 HydrophobicContact CB-CG 3.5Å; L184-F205 HydrophobicContact CB-CZ 4.28Å; L184-F205 HydrophobicContact CD1-CD1 3.99Å; L184-F205 HydrophobicContact CD1-CE1 4.26Å; L184-F205 HydrophobicContact CD2-CE1 4.29Å; L184-F205 HydrophobicContact CD2-CZ 4.38Å; L184-F205 HydrophobicContact CG-CD1 4.33Å; L184-F205 HydrophobicContact CG-CE1 4.46Å; L184-F205 WeakPolarHBondContact O-CD2 3.31Å; L184-F205 VanDerWaalsContact O-CE2 3.28Å; L184-F205 WeakPolarHBondContact O-CE2 3.47Å; E185-F205 HydrophobicContact CG-CB 4.47Å; L201-F205 HydrophobicContact CD1-CE2 4.21Å; L201-F205 HydrophobicContact CD1-CZ 3.99Å; L201-F205 HydrophobicContact CD2-CE2 3.89Å; L201-F205 HydrophobicContact CD2-CZ 4.28Å; L201-F205 HydrophobicContact CG-CD2 4.25Å; L201-F205 HydrophobicContact CG-CE2 3.57Å; L201-F205 HydrophobicContact CG-CZ 3.88Å; L201-F205 WeakPolarHBondContact O-CD2 3.29Å; L201-F205 VanDerWaalsContact O-CG 3.28Å; L201-F205 WeakPolarHBondContact O-CG 3.46Å; L201-F205 PolarHBondContact O-N 3.05Å; G202-F205 PolarHBondContact O-N 3.14Å; G202-F205 VanDerWaalsContact O-N 3.1Å; F205-L208 HydrophobicContact CD1-CD1 4.22Å; F205-L208 PolarHBondContact O-N 3Å |
| 206 | I | 70.3 | Confident | 62.6 | Low | 25 Ų | 25 | 76.2 Ų | 76.2 | 13% | 0.128 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 169.9 | -65.8 | 161 | 0 | 0 | 0 | 110.5 | E185 A196 N197 G202 R203 L208 K209 E210 | E185-I206 HydrophobicContact CG-CG1 4.04Å; E185-I206 WeakPolarHBondContact OE1-CG1 3.48Å; A196-I206 HydrophobicContact CB-CD1 4.07Å; N197-I206 WeakPolarHBondContact OD1-CD1 3.02Å; G202-I206 VanDerWaalsContact O-CG1 3.29Å; G202-I206 WeakPolarHBondContact O-CG1 3.43Å; G202-I206 PolarHBondContact O-N 2.89Å; R203-I206 PolarHBondContact O-N 3.42Å; I206-L208 PolarHBondContact O-N 2.75Å; I206-K209 WeakPolarHBondContact O-CA 3.42Å; I206-K209 WeakPolarHBondContact O-CB 3.43Å; I206-K209 PolarHBondContact O-N 2.91Å; I206-E210 HydrophobicContact CG2-CG 4.14Å; I206-E210 PolarHBondContact O-N 3.07Å; I206-E210 VanDerWaalsContact O-N 3.13Å |
| 207 | A | 65.2 | Low | 60.5 | Low | 44 Ų | 44 | 82 Ų | 82 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.7 | -23.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R203 F204 K209 N211 | R203-A207 WeakPolarHBondContact O-CB 3.34Å; R203-A207 PolarHBondContact O-N 2.68Å; F204-A207 PolarHBondContact O-N 3.31Å; A207-K209 VanDerWaalsContact C-N 3.27Å; A207-N211 PolarHBondContact O-ND2 2.64Å |
| 208 | L | 63.1 | Low | 58.4 | Low | 26 Ų | 26 | 81.5 Ų | 81.5 | 14% | 0.136 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -73.4 | -17.9 | 170.3 | -64.4 | 174.5 | 0 | 0 | 0 | 113 | T181 L184 F204 F205 I206 V232 | T181-L208 HydrophobicContact CG2-CB 4.13Å; L184-L208 HydrophobicContact CD1-CD1 4.32Å; F204-L208 HydrophobicContact CE1-CD1 4.17Å; F204-L208 HydrophobicContact CE2-CD1 4.28Å; F204-L208 HydrophobicContact CE2-CD2 4.12Å; F204-L208 HydrophobicContact CE2-CG 4.15Å; F204-L208 HydrophobicContact CZ-CD1 3.9Å; F204-L208 HydrophobicContact CZ-CD2 4.3Å; F204-L208 HydrophobicContact CZ-CG 4.27Å; F204-L208 PolarHBondContact O-N 2.86Å; F205-L208 HydrophobicContact CD1-CD1 4.22Å; F205-L208 PolarHBondContact O-N 3Å; I206-L208 PolarHBondContact O-N 2.75Å; L208-V232 HydrophobicContact CD2-CG1 4.04Å; L208-V232 HydrophobicContact CD2-CG2 4.17Å |
| 209 | K | 61.2 | Low | 56.3 | Low | 68 Ų | 68 | 86.1 Ų | 86.1 | 30% | 0.296 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -90.9 | -48.8 | -178.4 | -171.9 | 175.9 | 172.4 | -174.3 | 0 | 111.9 | T181 E185 I206 A207 N211 N212 | T181-K209 HydrophobicContact CG2-CB 4.03Å; T181-K209 WeakPolarHBondContact OG1-CG 3.42Å; E185-K209 WeakPolarHBondContact OE1-CD 3.37Å; E185-K209 WeakPolarHBondContact OE1-CE 3.26Å; E185-K209 IonicContact OE1-NZ 2.79Å; E185-K209 PolarHBondContact OE1-NZ 3.08Å; E185-K209 IonicContact OE2-NZ 2.81Å; E185-K209 PolarHBondContact OE2-NZ 3.31Å; I206-K209 WeakPolarHBondContact O-CA 3.42Å; I206-K209 WeakPolarHBondContact O-CB 3.43Å; I206-K209 PolarHBondContact O-N 2.91Å; A207-K209 VanDerWaalsContact C-N 3.27Å; K209-N211 VanDerWaalsContact C-N 3.31Å; K209-N211 PolarHBondContact O-N 3.07Å; K209-N212 PolarHBondContact O-N 2.97Å; K209-N212 PolarHBondContact O-ND2 2.81Å |
| 210 | E | 57.1 | Low | 53.8 | Low | 131 Ų | 131 | 91.4 Ų | 91.4 | 61% | 0.612 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.5 | -29.3 | -170.8 | -68.6 | 178.3 | 150.3 | 0 | 0 | 114 | I206 N212 M213 | I206-E210 HydrophobicContact CG2-CG 4.14Å; I206-E210 PolarHBondContact O-N 3.07Å; I206-E210 VanDerWaalsContact O-N 3.13Å; E210-N212 PolarHBondContact O-N 2.84Å; E210-M213 PolarHBondContact O-N 3.13Å; E210-M213 VanDerWaalsContact O-N 3.11Å |
| 211 | N | 52.7 | Low | 51.3 | Low | 121 Ų | 121 | 95.9 Ų | 95.9 | 65% | 0.647 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -1.5 | 178.8 | -83.5 | -52.1 | 0 | 0 | 0 | 115.8 | A207 K209 | A207-N211 PolarHBondContact O-ND2 2.64Å; K209-N211 VanDerWaalsContact C-N 3.31Å; K209-N211 PolarHBondContact O-N 3.07Å |
| 212 | N | 44.3 | Very low | 48.8 | Very low | 86 Ų | 86 | 99.4 Ų | 99.4 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -0.3 | 175.9 | -56.8 | -86.9 | 0 | 0 | 0 | 114.2 | K209 E210 R236 | K209-N212 PolarHBondContact O-N 2.97Å; K209-N212 PolarHBondContact O-ND2 2.81Å; E210-N212 PolarHBondContact O-N 2.84Å; N212-R236 PolarHBondContact OD1-NH1 3.03Å; N212-R236 PolarHBondContact OD1-NH2 3.44Å |
| 213 | M | 40.2 | Very low | 46.5 | Very low | 169 Ų | 169 | 106.4 Ų | 106.4 | 83% | 0.833 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -119.1 | -12 | -166.9 | -73 | -83.7 | -80.2 | 0 | 0 | 116.9 | E210 | E210-M213 PolarHBondContact O-N 3.13Å; E210-M213 VanDerWaalsContact O-N 3.11Å |
| 214 | E | 36.8 | Very low | 44.2 | Very low | 189 Ų | 189 | 108.5 Ų | 108.5 | 88% | 0.883 | 59% | 0.586 | S | S | * | * | trans | -107.4 | 23.2 | -175.9 | -69.2 | -159.2 | 135.7 | 0 | 0 | 115.3 | ||||
| 215 | Q | 33.7 | Very low | 42.2 | Very low | 191 Ų | 191 | 112.4 Ų | 112.4 | 89% | 0.893 | 61% | 0.609 | S | S | * | * | trans | -82 | -10.8 | 179.9 | -94.2 | -171.1 | -4.6 | 0 | 0 | 115.6 | ||||
| 216 | D | 30.6 | Very low | 40.2 | Very low | 146 Ų | 146 | 117.1 Ų | 117.1 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -108 | 135.4 | 179.6 | -95.1 | -49.9 | 0 | 0 | 0 | 114 | ||
| 217 | T | 29.7 | Very low | 38.6 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 77% | 0.767 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 75.5 | 81.3 | 170.4 | 70.6 | 0 | 0 | 0 | 0 | 120.2 | ||
| 218 | S | 28.6 | Very low | 37.6 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | trans | 80.4 | 84 | 131.8 | 77.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 219 | K | 30.4 | Very low | 36.7 | Very low | 202 Ų | 202 | 127.4 Ų | 127.4 | 88% | 0.878 | 68% | 0.684 | S | S | * | * | -179.7 | 118.4 | 96.5 | -94.4 | 151.1 | -170 | 153.9 | 0 | 113.3 | |||||
| 220 | S | 26.6 | Very low | 36 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -74.6 | 137.5 | 174.8 | 44.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 221 | S | 27.8 | Very low | 35.6 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | 177.4 | 141.5 | 119.9 | 37.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 222 | S | 28.1 | Very low | 35.5 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | trans | 63.8 | 82 | 159.8 | 51.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 223 | N | 26.8 | Very low | 35.8 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 78% | 0.781 | 66% | 0.655 | S | S | * | * | 41.1 | 115.5 | 114.2 | -60.5 | 26.7 | 0 | 0 | 0 | 119.5 | |||||
| 224 | N | 27.2 | Very low | 36.3 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | -173.6 | 160.7 | 83.3 | -103.9 | -16.3 | 0 | 0 | 0 | 113.7 | |||||
| 225 | N | 32.6 | Very low | 37 | Very low | 129 Ų | 129 | 107.4 Ų | 107.4 | 69% | 0.69 | 60% | 0.596 | S | S | * | * | trans | 69.7 | 33.4 | 162.1 | -58.7 | -3.2 | 0 | 0 | 0 | 119.5 | N227 | N225-N227 PolarHBondContact O-N 2.92Š| ||
| 226 | N | 30.2 | Very low | 37.9 | Very low | 125 Ų | 125 | 103.6 Ų | 103.6 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | trans | -73.7 | 61 | 163.9 | -87 | 4.6 | 0 | 0 | 0 | 112.6 | N228 I229 | N226-N228 PolarHBondContact O-N 3.18Å; N226-I229 HydrophobicContact CB-CD1 4.05Å; N226-I229 HydrophobicContact CB-CG1 4.43Å | ||
| 227 | N | 38.7 | Very low | 39 | Very low | 118 Ų | 118 | 99.2 Ų | 99.2 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 6 | 179.9 | -69.4 | 9.4 | 0 | 0 | 0 | 114 | N225 | N225-N227 PolarHBondContact O-N 2.92Š|
| 228 | N | 42.3 | Very low | 40.1 | Very low | 93 Ų | 93 | 97.2 Ų | 97.2 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -16.9 | -178.2 | -63.7 | -11.7 | 0 | 0 | 0 | 113.3 | N226 I231 V232 | N226-N228 PolarHBondContact O-N 3.18Å; N228-I231 PolarHBondContact O-N 3.3Å; N228-V232 PolarHBondContact O-N 3.19Å |
| 229 | I | 44.2 | Very low | 41.3 | Very low | 99 Ų | 99 | 95.7 Ų | 95.7 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.6 | -53.7 | -179.1 | -60.7 | 169.5 | 0 | 0 | 0 | 112.6 | N226 I231 V232 D233 | N226-I229 HydrophobicContact CB-CD1 4.05Å; N226-I229 HydrophobicContact CB-CG1 4.43Å; I229-I231 PolarHBondContact O-N 3.12Å; I229-I231 VanDerWaalsContact O-N 3.1Å; I229-V232 PolarHBondContact O-N 2.81Å; I229-D233 PolarHBondContact O-N 2.73Å; I229-D233 VanDerWaalsContact O-N 3.11Å |
| 230 | P | 48.5 | Very low | 42.2 | Very low | 84 Ų | 84 | 89.3 Ų | 89.3 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -19.1 | -177.5 | 27.5 | -36.6 | 0 | 0 | 0 | 113.4 | H234 | P230-H234 WeakPolarHBondContact O-CB 3.21Å; P230-H234 PolarHBondContact O-N 2.86Å |
| 231 | I | 47.5 | Very low | 43.3 | Very low | 34 Ų | 34 | 90.1 Ų | 90.1 | 17% | 0.174 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -74.7 | -41.8 | 174.9 | -59.9 | 171.3 | 0 | 0 | 0 | 109.9 | N228 I229 H234 L235 | N228-I231 PolarHBondContact O-N 3.3Å; I229-I231 PolarHBondContact O-N 3.12Å; I229-I231 VanDerWaalsContact O-N 3.1Å; I231-H234 PolarHBondContact O-N 3.33Å; I231-L235 HydrophobicContact CG2-CD1 3.8Å; I231-L235 HydrophobicContact CG2-CG 4.26Å; I231-L235 VanDerWaalsContact O-CB 3.28Å; I231-L235 WeakPolarHBondContact O-CB 3.37Å; I231-L235 WeakPolarHBondContact O-CG 3.47Å; I231-L235 PolarHBondContact O-N 2.95Å |
| 232 | V | 50 | Low | 44.1 | Very low | 39 Ų | 39 | 89 Ų | 89 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | L208 N228 I229 L235 R236 | L208-V232 HydrophobicContact CD2-CG1 4.04Å; L208-V232 HydrophobicContact CD2-CG2 4.17Å; N228-V232 PolarHBondContact O-N 3.19Å; I229-V232 PolarHBondContact O-N 2.81Å; V232-L235 PolarHBondContact O-N 3.28Å; V232-R236 WeakPolarHBondContact O-CB 3.32Å; V232-R236 PolarHBondContact O-N 3.14Å |
| 233 | D | 51.2 | Low | 45.2 | Very low | 85 Ų | 85 | 88.6 Ų | 88.6 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.2 | -36.3 | 178.7 | -67.5 | -39 | 0 | 0 | 0 | 113.2 | I229 R236 S237 | I229-D233 PolarHBondContact O-N 2.73Å; I229-D233 VanDerWaalsContact O-N 3.11Å; D233-R236 PolarHBondContact O-N 2.77Å; D233-S237 PolarHBondContact O-N 2.9Å; D233-S237 PolarHBondContact O-OG 2.94Å |
| 234 | H | 51.5 | Low | 46.1 | Very low | 88 Ų | 88 | 87.1 Ų | 87.1 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.3 | -37.1 | 175.4 | -169.6 | -19.9 | 0 | 0 | 0 | 112.1 | P230 I231 S237 Q238 | P230-H234 WeakPolarHBondContact O-CB 3.21Å; P230-H234 PolarHBondContact O-N 2.86Å; I231-H234 PolarHBondContact O-N 3.33Å; H234-S237 PolarHBondContact O-OG 2.87Å; H234-Q238 WeakPolarHBondContact ND1-CG 3.41Å; H234-Q238 WeakPolarHBondContact O-CB 3.48Å; H234-Q238 WeakPolarHBondContact O-CG 3.42Å; H234-Q238 PolarHBondContact O-N 2.76Å |
| 235 | L | 51.2 | Low | 47 | Very low | 15 Ų | 15 | 84.4 Ų | 84.4 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 170.7 | -71.1 | 170.4 | 0 | 0 | 0 | 110.4 | I231 V232 S237 Q238 F239 L269 | I231-L235 HydrophobicContact CG2-CD1 3.8Å; I231-L235 HydrophobicContact CG2-CG 4.26Å; I231-L235 VanDerWaalsContact O-CB 3.28Å; I231-L235 WeakPolarHBondContact O-CB 3.37Å; I231-L235 WeakPolarHBondContact O-CG 3.47Å; I231-L235 PolarHBondContact O-N 2.95Å; V232-L235 PolarHBondContact O-N 3.28Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.05Å; L235-Q238 PolarHBondContact O-N 3.05Å; L235-F239 HydrophobicContact CB-CD2 4.21Å; L235-F239 HydrophobicContact CB-CE2 4.34Å; L235-F239 HydrophobicContact CD2-CE2 4.26Å; L235-F239 WeakPolarHBondContact O-CB 3.34Å; L235-F239 WeakPolarHBondContact O-CD2 3.37Å; L235-F239 PolarHBondContact O-N 2.95Å; L235-L269 HydrophobicContact CD1-CD2 3.76Å; L235-L269 HydrophobicContact CD2-CD2 3.93Å; L235-L269 HydrophobicContact CD2-CG 4.25Å; L235-L269 HydrophobicContact CG-CD2 4.45Å |
| 236 | R | 52.1 | Low | 47.6 | Very low | 111 Ų | 111 | 82.6 Ų | 82.6 | 42% | 0.419 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 176 | -170.4 | 178.3 | -168.4 | 165.2 | 6.2 | 111.6 | N212 V232 D233 N240 | N212-R236 PolarHBondContact OD1-NH1 3.03Å; N212-R236 PolarHBondContact OD1-NH2 3.44Å; V232-R236 WeakPolarHBondContact O-CB 3.32Å; V232-R236 PolarHBondContact O-N 3.14Å; D233-R236 PolarHBondContact O-N 2.77Å; R236-N240 WeakPolarHBondContact O-CB 3.16Å; R236-N240 PolarHBondContact O-N 3.33Å; R236-N240 PolarHBondContact O-OD1 3.17Å |
| 237 | S | 54.6 | Low | 48.3 | Very low | 54 Ų | 54 | 81 Ų | 81 | 38% | 0.378 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 174.5 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | D233 H234 L235 N241 | D233-S237 PolarHBondContact O-N 2.9Å; D233-S237 PolarHBondContact O-OG 2.94Å; H234-S237 PolarHBondContact O-OG 2.87Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.05Å; S237-N241 VanDerWaalsContact O-CB 3.28Å; S237-N241 WeakPolarHBondContact O-CB 3.45Å; S237-N241 PolarHBondContact O-N 3.36Å; S237-N241 PolarHBondContact O-ND2 2.91Å; S237-N241 PolarHBondContact O-OD1 3.19Å |
| 238 | Q | 52.2 | Low | 48.7 | Very low | 82 Ų | 82 | 75.7 Ų | 75.7 | 38% | 0.383 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 174.8 | -64.7 | -101.8 | -67.4 | 0 | 0 | 111.8 | H234 L235 L242 | H234-Q238 WeakPolarHBondContact ND1-CG 3.41Å; H234-Q238 WeakPolarHBondContact O-CB 3.48Å; H234-Q238 WeakPolarHBondContact O-CG 3.42Å; H234-Q238 PolarHBondContact O-N 2.76Å; L235-Q238 PolarHBondContact O-N 3.05Å; Q238-L242 WeakPolarHBondContact O-CB 3.25Å; Q238-L242 PolarHBondContact O-N 3.37Å; Q238-L242 VanDerWaalsContact O-N 3.16Å |
| 239 | F | 53 | Low | 48.7 | Very low | 68 Ų | 68 | 77.1 Ų | 77.1 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -72.3 | -39.2 | 179.5 | -77.3 | -61.7 | 0 | 0 | 0 | 112.9 | L235 L242 F243 | L235-F239 HydrophobicContact CB-CD2 4.21Å; L235-F239 HydrophobicContact CB-CE2 4.34Å; L235-F239 HydrophobicContact CD2-CE2 4.26Å; L235-F239 WeakPolarHBondContact O-CB 3.34Å; L235-F239 WeakPolarHBondContact O-CD2 3.37Å; L235-F239 PolarHBondContact O-N 2.95Å; F239-L242 WeakPolarHBondContact O-CB 3.4Å; F239-L242 PolarHBondContact O-N 3.07Å; F239-L242 VanDerWaalsContact O-N 3.17Å; F239-F243 HydrophobicContact CD1-CE2 4.38Å; F239-F243 WeakPolarHBondContact O-CD2 3.47Å; F239-F243 PolarHBondContact O-N 3.4Å |
| 240 | N | 50.9 | Low | 48.6 | Very low | 67 Ų | 67 | 80.1 Ų | 80.1 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 174.7 | -74.3 | 2.2 | 0 | 0 | 0 | 111 | R236 L242 F243 D244 | R236-N240 WeakPolarHBondContact O-CB 3.16Å; R236-N240 PolarHBondContact O-N 3.33Å; R236-N240 PolarHBondContact O-OD1 3.17Å; N240-L242 PolarHBondContact O-N 3.36Å; N240-F243 CarbonylContact O-C 3.57Å; N240-F243 PolarHBondContact O-N 3.28Å; N240-D244 PolarHBondContact O-N 2.67Å; N240-D244 VanDerWaalsContact O-N 3.16Å |
| 241 | N | 47.9 | Very low | 48.3 | Very low | 135 Ų | 135 | 80.9 Ų | 80.9 | 72% | 0.722 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.1 | -23.5 | 175.9 | -69.4 | 0.7 | 0 | 0 | 0 | 113 | S237 | S237-N241 VanDerWaalsContact O-CB 3.28Å; S237-N241 WeakPolarHBondContact O-CB 3.45Å; S237-N241 PolarHBondContact O-N 3.36Å; S237-N241 PolarHBondContact O-ND2 2.91Å; S237-N241 PolarHBondContact O-OD1 3.19Å |
| 242 | L | 46 | Very low | 48.2 | Very low | 72 Ų | 72 | 86.1 Ų | 86.1 | 38% | 0.377 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -80.6 | -18.2 | 174.3 | -96.7 | 162.2 | 0 | 0 | 0 | 113.9 | Q238 F239 N240 L260 | Q238-L242 WeakPolarHBondContact O-CB 3.25Å; Q238-L242 PolarHBondContact O-N 3.37Å; Q238-L242 VanDerWaalsContact O-N 3.16Å; F239-L242 WeakPolarHBondContact O-CB 3.4Å; F239-L242 PolarHBondContact O-N 3.07Å; F239-L242 VanDerWaalsContact O-N 3.17Å; N240-L242 PolarHBondContact O-N 3.36Å; L242-L260 HydrophobicContact CD1-CD2 4.25Å; L242-L260 HydrophobicContact CD2-CD1 4.14Å; L242-L260 HydrophobicContact CD2-CD2 3.98Å; L242-L260 HydrophobicContact CD2-CG 3.88Å |
| 243 | F | 51 | Low | 48 | Very low | 83 Ų | 83 | 89.2 Ų | 89.2 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | trans | -134.1 | 31.2 | -171.4 | -69.1 | -70 | 0 | 0 | 0 | 113.6 | Y175 F239 N240 L245 | Y175-F243 HydrophobicContact CE1-CD1 4.3Å; Y175-F243 HydrophobicContact CE1-CE1 4.19Å; F239-F243 HydrophobicContact CD1-CE2 4.38Å; F239-F243 WeakPolarHBondContact O-CD2 3.47Å; F239-F243 PolarHBondContact O-N 3.4Å; N240-F243 CarbonylContact O-C 3.57Å; N240-F243 PolarHBondContact O-N 3.28Å; F243-L245 VanDerWaalsContact C-N 3.31Å; F243-L245 PolarHBondContact O-N 3Å | ||
| 244 | D | 45.6 | Very low | 47.5 | Very low | 115 Ų | 115 | 93.6 Ų | 93.6 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | trans | -73.4 | 84.6 | 172.7 | -164.8 | -28.3 | 0 | 0 | 0 | 110.8 | N240 S246 | N240-D244 PolarHBondContact O-N 2.67Å; N240-D244 VanDerWaalsContact O-N 3.16Å; D244-S246 PolarHBondContact O-N 3.17Å; D244-S246 WeakPolarHBondContact OD1-CB 3.39Å; D244-S246 PolarHBondContact OD1-OG 2.8Å | ||
| 245 | L | 45.3 | Very low | 46.9 | Very low | 77 Ų | 77 | 98.3 Ų | 98.3 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -68.4 | -1 | -169.9 | -97.8 | 120.9 | 0 | 0 | 0 | 115.2 | F243 N247 A248 | F243-L245 VanDerWaalsContact C-N 3.31Å; F243-L245 PolarHBondContact O-N 3Å; L245-N247 PolarHBondContact O-N 3.05Å; L245-A248 HydrophobicContact CB-CB 4.43Å; L245-A248 HydrophobicContact CD2-CB 3.77Å; L245-A248 HydrophobicContact CG-CB 4.25Å; L245-A248 VanDerWaalsContact O-CB 3.23Å; L245-A248 WeakPolarHBondContact O-CB 3.39Å; L245-A248 PolarHBondContact O-N 2.97Å |
| 246 | S | 46.4 | Very low | 46.8 | Very low | 91 Ų | 91 | 103 Ų | 103 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -57.8 | -21.9 | -180 | 57 | 0 | 0 | 0 | 0 | 114.5 | D244 | D244-S246 PolarHBondContact O-N 3.17Å; D244-S246 WeakPolarHBondContact OD1-CB 3.39Å; D244-S246 PolarHBondContact OD1-OG 2.8Å |
| 247 | N | 44.3 | Very low | 46.5 | Very low | 90 Ų | 90 | 103.4 Ų | 103.4 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -108.5 | 7.8 | 176.2 | -74.3 | -79.2 | 0 | 0 | 0 | 114.4 | L245 D249 K250 L251 | L245-N247 PolarHBondContact O-N 3.05Å; N247-D249 PolarHBondContact O-N 3.47Å; N247-K250 PolarHBondContact O-N 2.87Å; N247-L251 PolarHBondContact O-N 2.99Å |
| 248 | A | 46.9 | Very low | 46.2 | Very low | 8 Ų | 8 | 106 Ų | 106 | 7% | 0.066 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -59.2 | -38.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L245 K250 L251 F252 | L245-A248 HydrophobicContact CB-CB 4.43Å; L245-A248 HydrophobicContact CD2-CB 3.77Å; L245-A248 HydrophobicContact CG-CB 4.25Å; L245-A248 VanDerWaalsContact O-CB 3.23Å; L245-A248 WeakPolarHBondContact O-CB 3.39Å; L245-A248 PolarHBondContact O-N 2.97Å; A248-K250 PolarHBondContact O-N 2.97Å; A248-K250 VanDerWaalsContact O-N 3.09Å; A248-L251 WeakPolarHBondContact O-CB 3.03Å; A248-L251 PolarHBondContact O-N 2.92Å; A248-F252 WeakPolarHBondContact O-CD2 3.42Å; A248-F252 PolarHBondContact O-N 3.08Å |
| 249 | D | 41.6 | Very low | 46.2 | Very low | 122 Ų | 122 | 109 Ų | 109 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.7 | -8.1 | 180 | -64.2 | -14.1 | 0 | 0 | 0 | 112.9 | K176 N247 | K176-D249 IonicContact NZ-OD1 2.6Å; K176-D249 PolarHBondContact NZ-OD1 3.44Å; K176-D249 IonicContact NZ-OD2 2.68Å; N247-D249 PolarHBondContact O-N 3.47Å |
| 250 | K | 42.4 | Very low | 46.3 | Very low | 162 Ų | 162 | 108.4 Ų | 108.4 | 70% | 0.704 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -99 | -14.9 | 167.6 | -67.8 | 176 | -179.6 | 168.2 | 0 | 114 | N247 A248 T253 | N247-K250 PolarHBondContact O-N 2.87Å; A248-K250 PolarHBondContact O-N 2.97Å; A248-K250 VanDerWaalsContact O-N 3.09Å; K250-T253 PolarHBondContact O-OG1 3.01Å |
| 251 | L | 42.2 | Very low | 46.9 | Very low | 101 Ų | 101 | 110.1 Ų | 110.1 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -82.4 | -30.3 | -177.7 | -85.9 | 156.6 | 0 | 0 | 0 | 112.6 | N247 A248 T253 | N247-L251 PolarHBondContact O-N 2.99Å; A248-L251 WeakPolarHBondContact O-CB 3.03Å; A248-L251 PolarHBondContact O-N 2.92Å; L251-T253 PolarHBondContact O-N 2.98Å |
| 252 | F | 45 | Very low | 47.7 | Very low | 143 Ų | 143 | 105.5 Ų | 105.5 | 63% | 0.627 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -3.8 | -176.9 | -76.1 | -74 | 0 | 0 | 0 | 115.6 | A248 | A248-F252 WeakPolarHBondContact O-CD2 3.42Å; A248-F252 PolarHBondContact O-N 3.08Å |
| 253 | T | 46.3 | Very low | 49 | Very low | 104 Ų | 104 | 102.6 Ų | 102.6 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -43 | -168.3 | 44.2 | 0 | 0 | 0 | 0 | 115.5 | K250 L251 | K250-T253 PolarHBondContact O-OG1 3.01Å; L251-T253 PolarHBondContact O-N 2.98Å |
| 254 | E | 42.2 | Very low | 50.1 | Low | 178 Ų | 178 | 102.5 Ų | 102.5 | 83% | 0.832 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -138.4 | -4.1 | -166.2 | -67 | -167.2 | 148.9 | 0 | 0 | 118.4 | ||
| 255 | K | 38.5 | Very low | 51.2 | Low | 186 Ų | 186 | 98.4 Ų | 98.4 | 81% | 0.809 | 52% | 0.522 | S | S | * | . | trans | -139.4 | 149.1 | -179.2 | -74.2 | -173.2 | 177.5 | 176.7 | 0 | 115.1 | ||||
| 256 | S | 48.1 | Very low | 52.7 | Low | 114 Ų | 114 | 96.2 Ų | 96.2 | 80% | 0.797 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 142.1 | 173.3 | 51 | 0 | 0 | 0 | 0 | 112.1 | ||
| 257 | L | 46.9 | Very low | 54.1 | Low | 119 Ų | 119 | 97.2 Ų | 97.2 | 62% | 0.623 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 148.3 | 176 | -69.8 | 109 | 0 | 0 | 0 | 112.1 | ||
| 258 | P | 47.9 | Very low | 55.5 | Low | 109 Ų | 109 | 98 Ų | 98 | 71% | 0.708 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 151.2 | 174 | 30.1 | -35.2 | 0 | 0 | 0 | 112 | L260 | P258-L260 PolarHBondContact O-N 2.9Š|
| 259 | H | 52.7 | Low | 56.7 | Low | 145 Ų | 145 | 99.3 Ų | 99.3 | 67% | 0.671 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 132.4 | 175 | -83.4 | -86.6 | 0 | 0 | 0 | 111.7 | D420 | H259-D420 IonicContact ND1-OD2 2.88Š|
| 260 | L | 55 | Low | 58.4 | Low | 56 Ų | 56 | 93.6 Ų | 93.6 | 29% | 0.293 | 48% | 0.479 | S | S | . | . | trans | -108.6 | 85.7 | -167.5 | -147.4 | 170 | 0 | 0 | 0 | 108.3 | L242 P258 L262 F413 | L242-L260 HydrophobicContact CD1-CD2 4.25Å; L242-L260 HydrophobicContact CD2-CD1 4.14Å; L242-L260 HydrophobicContact CD2-CD2 3.98Å; L242-L260 HydrophobicContact CD2-CG 3.88Å; P258-L260 PolarHBondContact O-N 2.9Å; L260-L262 PolarHBondContact O-N 2.91Å; L260-F413 HydrophobicContact CD1-CE2 3.97Å | ||
| 261 | N | 61.9 | Low | 60 | Low | 103 Ų | 103 | 90.6 Ų | 90.6 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | trans | -61.3 | 71.8 | -172.5 | -80.1 | -27.6 | 0 | 0 | 0 | 113.7 | C263 P264 | N261-C263 PolarHBondContact O-N 2.81Å; N261-P264 HydrophobicContact CB-CG 3.99Å; N261-P264 VanDerWaalsContact O-CD 3.31Å; N261-P264 WeakPolarHBondContact O-CD 3.37Å; N261-P264 WeakPolarHBondContact O-CG 3.41Å | ||
| 262 | L | 66.4 | Low | 61.4 | Low | 38 Ų | 38 | 86.4 Ų | 86.4 | 20% | 0.199 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -69.6 | -36.1 | -172.9 | -162.6 | 78.3 | 0 | 0 | 0 | 112 | L260 I265 I266 L417 L421 | L260-L262 PolarHBondContact O-N 2.91Å; L262-I265 WeakPolarHBondContact O-CB 3.3Å; L262-I265 PolarHBondContact O-N 3.22Å; L262-I266 HydrophobicContact CD2-CD1 3.71Å; L262-I266 HydrophobicContact CG-CD1 3.74Å; L262-I266 HydrophobicContact CG-CG1 4.3Å; L262-I266 WeakPolarHBondContact O-CG1 3.41Å; L262-I266 PolarHBondContact O-N 3.25Å; L262-L417 HydrophobicContact CD2-CD2 3.83Å; L262-L417 HydrophobicContact CD2-CG 4.1Å; L262-L421 HydrophobicContact CD2-CD1 4.24Å |
| 263 | C | 73.4 | Confident | 62.3 | Low | 11 Ų | 11 | 88.3 Ų | 88.3 | 7% | 0.074 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | -174.3 | -173.8 | 0 | 0 | 0 | 0 | 115.2 | N261 I265 I266 K267 N424 C425 | N261-C263 PolarHBondContact O-N 2.81Å; C263-I265 PolarHBondContact O-N 2.9Å; C263-I266 PolarHBondContact O-N 3.2Å; C263-K267 VanDerWaalsContact O-CB 3.27Å; C263-K267 WeakPolarHBondContact O-CB 3.48Å; C263-K267 PolarHBondContact O-N 3.47Å; C263-N424 HydrophobicContact CB-CB 3.83Å; C263-N424 VanDerWaalsContact SG-C 3.54Å; C263-N424 PolarHBondContact SG-O 3.43Å; C263-C425 WeakPolarHBondContact CA-SG 3.24Å; C263-C425 HydrophobicContact CB-CB 3.72Å; C263-C425 WeakPolarHBondContact CB-SG 3.29Å; C263-C425 WeakPolarHBondContact SG-CA 3.34Å; C263-C425 WeakPolarHBondContact SG-CB 3.43Å; C263-C425 CovalentContact SG-SG 2.04Å; C263-C425 PolarHBondContact SG-SG 3.05Å |
| 264 | P | 73.3 | Confident | 63.2 | Low | 80 Ų | 80 | 85.4 Ų | 85.4 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.8 | -31 | 174.5 | 21.8 | -32.7 | 0 | 0 | 0 | 112.7 | N261 H268 | N261-P264 HydrophobicContact CB-CG 3.99Å; N261-P264 VanDerWaalsContact O-CD 3.31Å; N261-P264 WeakPolarHBondContact O-CD 3.37Å; N261-P264 WeakPolarHBondContact O-CG 3.41Å; P264-H268 WeakPolarHBondContact O-CB 3.25Å; P264-H268 PolarHBondContact O-N 3.21Å |
| 265 | I | 69.1 | Low | 64.7 | Low | 29 Ų | 29 | 78 Ų | 78 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.6 | -49.3 | 174.1 | -55.9 | 172.5 | 0 | 0 | 0 | 110.3 | L262 C263 K267 H268 L269 | L262-I265 WeakPolarHBondContact O-CB 3.3Å; L262-I265 PolarHBondContact O-N 3.22Å; C263-I265 PolarHBondContact O-N 2.9Å; I265-K267 VanDerWaalsContact C-N 3.31Å; I265-K267 PolarHBondContact O-N 3.05Å; I265-H268 PolarHBondContact O-N 2.97Å; I265-L269 HydrophobicContact CG2-CD1 4.14Å; I265-L269 WeakPolarHBondContact O-CB 3.44Å; I265-L269 WeakPolarHBondContact O-CG 3.35Å; I265-L269 PolarHBondContact O-N 3.5Å |
| 266 | I | 75.5 | Confident | 66.5 | Low | 31 Ų | 31 | 69.8 Ų | 69.8 | 16% | 0.159 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 174.5 | -71.9 | 170 | 0 | 0 | 0 | 111.2 | L262 C263 L269 L270 L286 | L262-I266 HydrophobicContact CD2-CD1 3.71Å; L262-I266 HydrophobicContact CG-CD1 3.74Å; L262-I266 HydrophobicContact CG-CG1 4.3Å; L262-I266 WeakPolarHBondContact O-CG1 3.41Å; L262-I266 PolarHBondContact O-N 3.25Å; C263-I266 PolarHBondContact O-N 3.2Å; I266-L269 PolarHBondContact O-N 3.41Å; I266-L270 HydrophobicContact CG2-CD1 3.64Å; I266-L270 HydrophobicContact CG2-CG 4.43Å; I266-L270 WeakPolarHBondContact O-CB 3.44Å; I266-L270 WeakPolarHBondContact O-CG 3.4Å; I266-L270 PolarHBondContact O-N 3.43Å; I266-L286 HydrophobicContact CG2-CD1 3.92Å |
| 267 | K | 76.3 | Confident | 67.8 | Low | 113 Ų | 113 | 65.7 Ų | 65.7 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 178.2 | -174.2 | 166.3 | -177.3 | 174.7 | 0 | 112 | C263 I265 N271 F287 L453 | C263-K267 VanDerWaalsContact O-CB 3.27Å; C263-K267 WeakPolarHBondContact O-CB 3.48Å; C263-K267 PolarHBondContact O-N 3.47Å; I265-K267 VanDerWaalsContact C-N 3.31Å; I265-K267 PolarHBondContact O-N 3.05Å; K267-N271 WeakPolarHBondContact O-CB 3.38Å; K267-N271 PolarHBondContact O-N 2.93Å; K267-F287 HydrophobicContact CB-CZ 4.34Å; K267-L453 HydrophobicContact CD-CD2 4.1Å; K267-L453 HydrophobicContact CG-CD2 3.75Å |
| 268 | H | 73.6 | Confident | 69.1 | Low | 105 Ų | 105 | 61.3 Ų | 61.3 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 174.9 | -171 | -80.2 | 0 | 0 | 0 | 111.8 | P264 I265 S272 | P264-H268 WeakPolarHBondContact O-CB 3.25Å; P264-H268 PolarHBondContact O-N 3.21Å; I265-H268 PolarHBondContact O-N 2.97Å; H268-S272 PolarHBondContact O-N 3.49Å |
| 269 | L | 72.3 | Confident | 70.7 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 19% | 0.188 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.2 | -59.6 | 172.6 | -82 | 165.3 | 0 | 0 | 0 | 110.8 | L235 I265 I266 N271 S272 F275 | L235-L269 HydrophobicContact CD1-CD2 3.76Å; L235-L269 HydrophobicContact CD2-CD2 3.93Å; L235-L269 HydrophobicContact CD2-CG 4.25Å; L235-L269 HydrophobicContact CG-CD2 4.45Å; I265-L269 HydrophobicContact CG2-CD1 4.14Å; I265-L269 WeakPolarHBondContact O-CB 3.44Å; I265-L269 WeakPolarHBondContact O-CG 3.35Å; I265-L269 PolarHBondContact O-N 3.5Å; I266-L269 PolarHBondContact O-N 3.41Å; L269-N271 VanDerWaalsContact C-N 3.28Å; L269-N271 PolarHBondContact O-N 3.46Å; L269-S272 WeakPolarHBondContact O-CB 3.18Å; L269-S272 PolarHBondContact O-N 2.94Å; L269-S272 PolarHBondContact O-OG 3.13Å; L269-F275 HydrophobicContact CD2-CD2 4.35Å; L269-F275 HydrophobicContact CD2-CE2 4.36Å; L269-F275 WeakPolarHBondContact O-CB 3.34Å |
| 270 | L | 77 | Confident | 72 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -19 | -174.8 | -66.8 | 169.7 | 0 | 0 | 0 | 114.1 | I266 L276 M279 L282 R283 L286 F287 L453 | I266-L270 HydrophobicContact CG2-CD1 3.64Å; I266-L270 HydrophobicContact CG2-CG 4.43Å; I266-L270 WeakPolarHBondContact O-CB 3.44Å; I266-L270 WeakPolarHBondContact O-CG 3.4Å; I266-L270 PolarHBondContact O-N 3.43Å; L270-L276 WeakPolarHBondContact O-CA 3.43Å; L270-L276 WeakPolarHBondContact O-CB 3.41Å; L270-L276 VanDerWaalsContact O-CD1 3.26Å; L270-L276 WeakPolarHBondContact O-CD1 3.43Å; L270-L276 PolarHBondContact O-N 2.77Å; L270-M279 HydrophobicContact CD2-CB 3.54Å; L270-M279 HydrophobicContact CD2-CG 4.48Å; L270-M279 HydrophobicContact CD2-SD 4.19Å; L270-L282 HydrophobicContact CD1-CD2 3.69Å; L270-L282 HydrophobicContact CD2-CD2 4.02Å; L270-L282 HydrophobicContact CG-CD2 4.45Å; L270-R283 HydrophobicContact CD2-CB 4.46Å; L270-L286 HydrophobicContact CD1-CD1 3.97Å; L270-F287 HydrophobicContact CD1-CD2 4.48Å; L270-F287 HydrophobicContact CD1-CE2 3.96Å; L270-L453 HydrophobicContact CB-CD1 4.07Å |
| 271 | N | 76.2 | Confident | 73.4 | Confident | 98 Ų | 98 | 48.5 Ų | 48.5 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -83.4 | -13.3 | 170.8 | -164.4 | 44.2 | 0 | 0 | 0 | 112.8 | K267 L269 L453 | K267-N271 WeakPolarHBondContact O-CB 3.38Å; K267-N271 PolarHBondContact O-N 2.93Å; L269-N271 VanDerWaalsContact C-N 3.28Å; L269-N271 PolarHBondContact O-N 3.46Å; N271-L453 HydrophobicContact CB-CD1 4.44Å |
| 272 | S | 71 | Confident | 74.5 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -73.8 | 138.2 | 174.7 | 78.8 | 0 | 0 | 0 | 0 | 111.1 | H268 L269 P274 F275 L276 | H268-S272 PolarHBondContact O-N 3.49Å; L269-S272 WeakPolarHBondContact O-CB 3.18Å; L269-S272 PolarHBondContact O-N 2.94Å; L269-S272 PolarHBondContact O-OG 3.13Å; S272-P274 VanDerWaalsContact C-CD 3.47Å; S272-F275 PolarHBondContact O-N 3.1Å; S272-F275 VanDerWaalsContact O-N 3.13Å; S272-L276 WeakPolarHBondContact O-CB 3.26Å; S272-L276 PolarHBondContact O-N 2.68Å |
| 273 | K | 64.4 | Low | 75.5 | Confident | 183 Ų | 183 | 43.1 Ų | 43.1 | 80% | 0.796 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -49.7 | -42.9 | -171.5 | -70 | -174.3 | 177.9 | -179.7 | 0 | 116.2 | ||
| 274 | P | 64.5 | Low | 76.1 | Confident | 42 Ų | 42 | 43 Ų | 43 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -47.9 | 177.8 | 24.1 | -32.2 | 0 | 0 | 0 | 112 | S272 T278 | S272-P274 VanDerWaalsContact C-CD 3.47Å; P274-T278 WeakPolarHBondContact O-CG2 3.16Å; P274-T278 PolarHBondContact O-N 2.66Å; P274-T278 PolarHBondContact O-OG1 3.38Å; P274-T278 VanDerWaalsContact O-OG1 3.08Å |
| 275 | F | 74.7 | Confident | 76.7 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -77.3 | -27 | -174.9 | -69.6 | -72.9 | 0 | 0 | 0 | 114.1 | F204 L269 S272 I277 M279 | F204-F275 HydrophobicContact CD2-CZ 4.01Å; F204-F275 HydrophobicContact CE2-CE1 4.46Å; F204-F275 HydrophobicContact CE2-CE2 4.41Å; F204-F275 AromaticContact CE2-CZ 3.59Å; F204-F275 HydrophobicContact CE2-CZ 3.59Å; F204-F275 AromaticContact CZ-CZ 3.87Å; F204-F275 HydrophobicContact CZ-CZ 3.87Å; L269-F275 HydrophobicContact CD2-CD2 4.35Å; L269-F275 HydrophobicContact CD2-CE2 4.36Å; L269-F275 WeakPolarHBondContact O-CB 3.34Å; S272-F275 PolarHBondContact O-N 3.1Å; S272-F275 VanDerWaalsContact O-N 3.13Å; F275-I277 PolarHBondContact O-N 2.7Å; F275-I277 VanDerWaalsContact O-N 3.12Å; F275-M279 HydrophobicContact CD1-CE 4.18Å; F275-M279 HydrophobicContact CD1-CG 4.11Å; F275-M279 HydrophobicContact CD1-SD 3.77Å; F275-M279 HydrophobicContact CE1-CE 4.2Å; F275-M279 HydrophobicContact CE1-SD 4.37Å; F275-M279 WeakPolarHBondContact O-CB 3.37Å; F275-M279 PolarHBondContact O-N 2.9Å |
| 276 | L | 76.9 | Confident | 77.3 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -51.4 | -35 | 175.1 | -177 | 77.1 | 0 | 0 | 0 | 112.9 | L270 S272 L452 | L270-L276 WeakPolarHBondContact O-CA 3.43Å; L270-L276 WeakPolarHBondContact O-CB 3.41Å; L270-L276 VanDerWaalsContact O-CD1 3.26Å; L270-L276 WeakPolarHBondContact O-CD1 3.43Å; L270-L276 PolarHBondContact O-N 2.77Å; S272-L276 WeakPolarHBondContact O-CB 3.26Å; S272-L276 PolarHBondContact O-N 2.68Å; L276-L452 HydrophobicContact CD1-CB 4.19Å; L276-L452 HydrophobicContact CD2-CB 4.24Å; L276-L452 HydrophobicContact CD2-CD1 4.06Å |
| 277 | I | 74.9 | Confident | 77.7 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -106.4 | -42.6 | -177 | -46.2 | 175.2 | 0 | 0 | 0 | 111.6 | F275 G280 P528 Q529 T536 | F275-I277 PolarHBondContact O-N 2.7Å; F275-I277 VanDerWaalsContact O-N 3.12Å; I277-G280 PolarHBondContact O-N 2.91Å; I277-G280 VanDerWaalsContact O-N 3.09Å; I277-P528 WeakPolarHBondContact CG2-O 3.37Å; I277-Q529 HydrophobicContact CD1-CG 4.02Å; I277-T536 VanDerWaalsContact O-CB 3.26Å; I277-T536 WeakPolarHBondContact O-CB 3.49Å; I277-T536 VanDerWaalsContact O-CG2 3.25Å; I277-T536 WeakPolarHBondContact O-CG2 3.43Å |
| 278 | T | 73.8 | Confident | 77.9 | Confident | 27 Ų | 27 | 33.6 Ų | 33.6 | 17% | 0.166 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -51.8 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | F92 P274 G280 P528 | F92-T278 VanDerWaalsContact O-O 3.08Å; P274-T278 WeakPolarHBondContact O-CG2 3.16Å; P274-T278 PolarHBondContact O-N 2.66Å; P274-T278 PolarHBondContact O-OG1 3.38Å; P274-T278 VanDerWaalsContact O-OG1 3.08Å; T278-G280 PolarHBondContact O-N 2.91Å; T278-G280 VanDerWaalsContact O-N 3.1Å; T278-P528 HydrophobicContact CG2-CB 4.21Å; T278-P528 HydrophobicContact CG2-CG 3.71Å |
| 279 | M | 81.4 | Confident | 78.5 | Confident | 28 Ų | 28 | 29 Ų | 29 | 14% | 0.138 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 27.2 | 171.9 | -69.1 | -176.8 | 169.8 | 0 | 0 | 112.4 | F92 L270 F275 R281 L282 R283 | F92-M279 HydrophobicContact CB-CG 4.21Å; F92-M279 HydrophobicContact CD1-CE 3.83Å; F92-M279 HydrophobicContact CD1-CG 4.41Å; F92-M279 HydrophobicContact CD2-CE 4.32Å; F92-M279 HydrophobicContact CD2-CG 4.01Å; F92-M279 HydrophobicContact CE1-CE 3.55Å; F92-M279 HydrophobicContact CE2-CE 4.07Å; F92-M279 HydrophobicContact CG-CE 4.23Å; F92-M279 HydrophobicContact CG-CG 3.97Å; F92-M279 HydrophobicContact CZ-CE 3.69Å; L270-M279 HydrophobicContact CD2-CB 3.54Å; L270-M279 HydrophobicContact CD2-CG 4.48Å; L270-M279 HydrophobicContact CD2-SD 4.19Å; F275-M279 HydrophobicContact CD1-CE 4.18Å; F275-M279 HydrophobicContact CD1-CG 4.11Å; F275-M279 HydrophobicContact CD1-SD 3.77Å; F275-M279 HydrophobicContact CE1-CE 4.2Å; F275-M279 HydrophobicContact CE1-SD 4.37Å; F275-M279 WeakPolarHBondContact O-CB 3.37Å; F275-M279 PolarHBondContact O-N 2.9Å; M279-R281 PolarHBondContact O-N 3.02Å; M279-L282 HydrophobicContact CB-CB 4.39Å; M279-L282 WeakPolarHBondContact O-CA 3.46Å; M279-L282 WeakPolarHBondContact O-CB 3.42Å; M279-L282 PolarHBondContact O-N 3.25Å; M279-R283 PolarHBondContact O-N 2.69Å |
| 280 | G | 80 | Confident | 79.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -35.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I277 T278 Y284 T536 | I277-G280 PolarHBondContact O-N 2.91Å; I277-G280 VanDerWaalsContact O-N 3.09Å; T278-G280 PolarHBondContact O-N 2.91Å; T278-G280 VanDerWaalsContact O-N 3.1Å; G280-Y284 WeakPolarHBondContact O-CB 3.42Å; G280-Y284 PolarHBondContact O-N 2.87Å; G280-T536 CarbonylContact C-O 3.53Å; G280-T536 WeakPolarHBondContact CA-O 3.42Å |
| 281 | R | 84.9 | Confident | 80 | Confident | 12 Ų | 12 | 27.2 Ų | 27.2 | 5% | 0.045 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.9 | -36.6 | 171.5 | -70.7 | 178.3 | 76.1 | -149.2 | 6.3 | 111.9 | S75 L88 M279 Y284 F285 F535 T536 D541 | S75-R281 PolarHBondContact O-NH2 3.48Å; L88-R281 HydrophobicContact CD2-CB 3.37Å; L88-R281 HydrophobicContact CD2-CG 4.41Å; M279-R281 PolarHBondContact O-N 3.02Å; R281-Y284 PolarHBondContact O-N 2.87Å; R281-F285 WeakPolarHBondContact O-CB 3.2Å; R281-F285 PolarHBondContact O-N 2.86Å; R281-F535 WeakPolarHBondContact CG-O 3.49Å; R281-T536 PolarHBondContact N-O 3.48Å; R281-D541 IonicContact CZ-OD1 3.73Å; R281-D541 IonicContact CZ-OD2 2.62Å; R281-D541 IonicContact NE-OD1 3.71Å; R281-D541 PolarHBondContact NE-OD1 2.69Å; R281-D541 IonicContact NE-OD2 3.97Å; R281-D541 PolarHBondContact NE-OD2 3.16Å; R281-D541 IonicContact NH2-OD1 3.49Å; R281-D541 PolarHBondContact NH2-OD1 3.37Å; R281-D541 IonicContact NH2-OD2 3.4Å |
| 282 | L | 85.4 | Confident | 80.8 | Confident | 27 Ų | 27 | 23.3 Ų | 23.3 | 14% | 0.141 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.1 | -40.4 | 178.2 | -172.9 | 146.8 | 0 | 0 | 0 | 111.4 | L88 I89 L270 M279 Y284 F285 L286 | L88-L282 HydrophobicContact CB-CB 4.32Å; L88-L282 HydrophobicContact CB-CD1 4.21Å; I89-L282 HydrophobicContact CG1-CD1 3.69Å; L270-L282 HydrophobicContact CD1-CD2 3.69Å; L270-L282 HydrophobicContact CD2-CD2 4.02Å; L270-L282 HydrophobicContact CG-CD2 4.45Å; M279-L282 HydrophobicContact CB-CB 4.39Å; M279-L282 WeakPolarHBondContact O-CA 3.46Å; M279-L282 WeakPolarHBondContact O-CB 3.42Å; M279-L282 PolarHBondContact O-N 3.25Å; L282-Y284 VanDerWaalsContact C-N 3.34Å; L282-Y284 PolarHBondContact O-N 3.15Å; L282-F285 PolarHBondContact O-N 3.13Å; L282-L286 HydrophobicContact CD2-CD1 3.65Å; L282-L286 HydrophobicContact CD2-CG 4.37Å; L282-L286 HydrophobicContact CG-CD1 4.47Å; L282-L286 WeakPolarHBondContact O-CG 3.38Å; L282-L286 PolarHBondContact O-N 3.37Å |
| 283 | R | 86.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.8 | -49.5 | 166.9 | 177.4 | -164.1 | 66.7 | 92.5 | 10.7 | 111.2 | L270 M279 L286 F287 L452 L453 S455 | L270-R283 HydrophobicContact CD2-CB 4.46Å; M279-R283 PolarHBondContact O-N 2.69Å; R283-L286 PolarHBondContact O-N 2.95Å; R283-F287 PolarHBondContact O-N 3.41Å; R283-L452 PolarHBondContact NH1-O 3.09Å; R283-L453 HydrophobicContact CG-CD1 4.37Å; R283-L453 WeakPolarHBondContact CG-O 3.28Å; R283-L453 PolarHBondContact NH1-O 3.5Å; R283-S455 PolarHBondContact NH1-OG 3.21Å |
| 284 | Y | 86 | Confident | 83.1 | Confident | 8 Ų | 8 | 18 Ų | 18 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.9 | -37.2 | 177.7 | 170.9 | -104.2 | 0 | 0 | 0 | 112.9 | G280 R281 L282 G288 I290 K431 I457 D541 I542 | G280-Y284 WeakPolarHBondContact O-CB 3.42Å; G280-Y284 PolarHBondContact O-N 2.87Å; R281-Y284 PolarHBondContact O-N 2.87Å; L282-Y284 VanDerWaalsContact C-N 3.34Å; L282-Y284 PolarHBondContact O-N 3.15Å; Y284-G288 WeakPolarHBondContact O-CA 3.24Å; Y284-G288 PolarHBondContact O-N 3.39Å; Y284-I290 WeakPolarHBondContact OH-CD1 3.42Å; Y284-K431 PolarHBondContact O-NZ 3.49Å; Y284-I457 HydrophobicContact CD2-CD1 4.05Å; Y284-I457 HydrophobicContact CE2-CD1 3.94Å; Y284-D541 HydrophobicContact CE1-CB 4.49Å; Y284-I542 HydrophobicContact CE1-CG1 4.35Å; Y284-I542 HydrophobicContact CE2-CD1 4.06Å; Y284-I542 WeakPolarHBondContact OH-CD1 3.48Å; Y284-I542 WeakPolarHBondContact OH-CG1 3Å |
| 285 | F | 85.6 | Confident | 84.2 | Confident | 29 Ų | 29 | 16.3 Ų | 16.3 | 13% | 0.127 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 176 | 179.2 | -110.7 | 0 | 0 | 0 | 112.2 | L81 Y84 I85 L88 R281 L282 L313 I426 K431 | L81-F285 HydrophobicContact CD1-CZ 4.36Å; Y84-F285 HydrophobicContact CD1-CE2 4.44Å; Y84-F285 AromaticContact CE1-CD2 3.7Å; Y84-F285 HydrophobicContact CE1-CD2 3.7Å; Y84-F285 AromaticContact CE1-CE2 3.94Å; Y84-F285 HydrophobicContact CE1-CE2 3.94Å; Y84-F285 HydrophobicContact CE1-CG 4.37Å; I85-F285 HydrophobicContact CD1-CE1 4.21Å; I85-F285 HydrophobicContact CD1-CZ 4.1Å; I85-F285 HydrophobicContact CG1-CE1 4.28Å; I85-F285 HydrophobicContact CG1-CZ 4.25Å; L88-F285 HydrophobicContact CD1-CB 3.94Å; L88-F285 HydrophobicContact CD1-CD1 4.15Å; L88-F285 HydrophobicContact CD1-CG 3.97Å; R281-F285 WeakPolarHBondContact O-CB 3.2Å; R281-F285 PolarHBondContact O-N 2.86Å; L282-F285 PolarHBondContact O-N 3.13Å; F285-L313 HydrophobicContact CE2-CD1 4.05Å; F285-L313 HydrophobicContact CZ-CD1 3.75Å; F285-L313 HydrophobicContact CZ-CD2 4.46Å; F285-I426 HydrophobicContact CE1-CD1 4.49Å; F285-K431 PolarHBondContact O-NZ 2.93Å |
| 286 | L | 82.1 | Confident | 84.7 | Confident | 12 Ų | 12 | 19.4 Ų | 19.4 | 6% | 0.063 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -76.6 | -48.9 | -177.5 | -60.4 | 176.4 | 0 | 0 | 0 | 113.5 | I266 L270 L282 R283 L421 I426 Q427 | I266-L286 HydrophobicContact CG2-CD1 3.92Å; L270-L286 HydrophobicContact CD1-CD1 3.97Å; L282-L286 HydrophobicContact CD2-CD1 3.65Å; L282-L286 HydrophobicContact CD2-CG 4.37Å; L282-L286 HydrophobicContact CG-CD1 4.47Å; L282-L286 WeakPolarHBondContact O-CG 3.38Å; L282-L286 PolarHBondContact O-N 3.37Å; R283-L286 PolarHBondContact O-N 2.95Å; L286-L421 HydrophobicContact CD2-CD2 4.16Å; L286-I426 HydrophobicContact CD2-CD1 3.75Å; L286-I426 HydrophobicContact CD2-CG1 3.68Å; L286-Q427 PolarHBondContact O-N 3.45Å |
| 287 | F | 84.1 | Confident | 85 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -116.5 | -4.7 | -168.7 | -56.1 | -61.3 | 0 | 0 | 0 | 114.5 | K267 L270 R283 C425 L453 S454 | K267-F287 HydrophobicContact CB-CZ 4.34Å; L270-F287 HydrophobicContact CD1-CD2 4.48Å; L270-F287 HydrophobicContact CD1-CE2 3.96Å; R283-F287 PolarHBondContact O-N 3.41Å; F287-C425 WeakPolarHBondContact CE1-O 3.41Å; F287-L453 HydrophobicContact CB-CG 4.22Å; F287-L453 HydrophobicContact CD1-CD2 4.26Å; F287-L453 HydrophobicContact CD2-CD1 3.73Å; F287-L453 HydrophobicContact CD2-CD2 3.85Å; F287-L453 HydrophobicContact CD2-CG 3.63Å; F287-L453 HydrophobicContact CE1-CD2 4.38Å; F287-L453 HydrophobicContact CE2-CD1 3.93Å; F287-L453 HydrophobicContact CE2-CD2 3.98Å; F287-L453 HydrophobicContact CE2-CG 4.12Å; F287-L453 HydrophobicContact CG-CD2 4Å; F287-L453 HydrophobicContact CG-CG 3.96Å; F287-L453 HydrophobicContact CZ-CD2 4.25Å; F287-S454 VanDerWaalsContact O-CA 3.28Å; F287-S454 WeakPolarHBondContact O-CA 3.49Å; F287-S454 VanDerWaalsContact O-CB 3.27Å; F287-S454 WeakPolarHBondContact O-CB 3.32Å |
| 288 | G | 79.7 | Confident | 85.3 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | trans | -72.9 | 131.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y284 K431 | Y284-G288 WeakPolarHBondContact O-CA 3.24Å; Y284-G288 PolarHBondContact O-N 3.39Å; G288-K431 WeakPolarHBondContact O-CD 3.35Å; G288-K431 WeakPolarHBondContact O-CE 3.33Å; G288-K431 PolarHBondContact O-NZ 3.43Å | ||
| 289 | T | 87.1 | Confident | 85.9 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 6% | 0.055 | 12% | 0.119 | C | C | . | . | trans | -110.4 | 155.3 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | S454 P456 I457 | T289-S454 PolarHBondContact OG1-O 2.73Å; T289-P456 WeakPolarHBondContact O-CA 3.47Å; T289-P456 WeakPolarHBondContact OG1-CA 3.38Å; T289-P456 WeakPolarHBondContact OG1-CB 3.46Å; T289-I457 PolarHBondContact O-N 3.07Å | ||
| 290 | I | 89 | Confident | 86.2 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.3 | -178.3 | -62.6 | 161.5 | 0 | 0 | 0 | 108.7 | Y284 M306 K431 F432 I433 I457 I459 I542 | Y284-I290 WeakPolarHBondContact OH-CD1 3.42Å; I290-M306 HydrophobicContact CD1-CE 3.85Å; I290-M306 HydrophobicContact CD1-SD 4.33Å; I290-K431 PolarHBondContact N-O 3.05Å; I290-F432 HydrophobicContact CB-CD1 4.05Å; I290-F432 HydrophobicContact CD1-CD1 3.79Å; I290-F432 HydrophobicContact CD1-CE1 3.4Å; I290-F432 HydrophobicContact CD1-CZ 4.22Å; I290-F432 HydrophobicContact CG2-CD1 4.3Å; I290-F432 CarbonylContact O-C 3.59Å; I290-F432 WeakPolarHBondContact O-CA 3.21Å; I290-I433 PolarHBondContact O-N 3.03Å; I290-I457 WeakPolarHBondContact CA-O 3.09Å; I290-I459 HydrophobicContact CG2-CD1 3.45Å; I290-I459 VanDerWaalsContact CG2-CD1 3.45Å; I290-I459 HydrophobicContact CG2-CG1 4.03Å; I290-I542 HydrophobicContact CG1-CD1 4.22Å |
| 291 | A | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 142.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I433 F435 F441 Y444 M445 I457 G458 I459 | A291-I433 CarbonylContact C-O 3.59Å; A291-I433 WeakPolarHBondContact CA-O 3.39Å; A291-F435 HydrophobicContact CB-CD2 4.31Å; A291-F435 HydrophobicContact CB-CE2 3.81Å; A291-F441 HydrophobicContact CB-CD2 4.11Å; A291-F441 HydrophobicContact CB-CE2 3.96Å; A291-Y444 HydrophobicContact CB-CD1 4.28Å; A291-Y444 HydrophobicContact CB-CE1 4.32Å; A291-M445 HydrophobicContact CB-SD 3.85Å; A291-I457 PolarHBondContact N-O 2.87Å; A291-G458 CarbonylContact O-C 3.53Å; A291-G458 VanDerWaalsContact O-CA 3.32Å; A291-G458 WeakPolarHBondContact O-CA 3.46Å; A291-I459 PolarHBondContact O-N 3.46Å |
| 292 | Y | 92.9 | Very high | 86.7 | Confident | 17 Ų | 17 | 28.2 Ų | 28.2 | 7% | 0.067 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 149.5 | 179.4 | 69.8 | -82.7 | 0 | 0 | 0 | 115.3 | D300 I303 I433 P434 F435 I459 F461 | Y292-D300 WeakPolarHBondContact CE2-OD1 3.4Å; Y292-D300 PolarHBondContact OH-OD1 2.94Å; Y292-I303 HydrophobicContact CD1-CD1 4.41Å; Y292-I303 HydrophobicContact CD1-CG1 4.03Å; Y292-I303 HydrophobicContact CD1-CG2 4.37Å; Y292-I303 HydrophobicContact CD2-CG1 4.02Å; Y292-I303 HydrophobicContact CE1-CB 4.26Å; Y292-I303 HydrophobicContact CE1-CG1 3.99Å; Y292-I303 HydrophobicContact CE1-CG2 3.84Å; Y292-I303 HydrophobicContact CE2-CG1 3.96Å; Y292-I303 HydrophobicContact CG-CD1 4.39Å; Y292-I303 HydrophobicContact CG-CG1 4.02Å; Y292-I433 WeakPolarHBondContact CD1-O 3.46Å; Y292-I433 PolarHBondContact N-O 3.05Å; Y292-P434 HydrophobicContact CE1-CB 3.94Å; Y292-P434 HydrophobicContact CE2-CB 4.31Å; Y292-F435 PolarHBondContact O-N 2.99Å; Y292-I459 CarbonylContact C-O 3.55Å; Y292-I459 VanDerWaalsContact CA-O 3.26Å; Y292-I459 WeakPolarHBondContact CA-O 3.41Å; Y292-F461 HydrophobicContact CD2-CE2 4.44Å |
| 293 | Y | 92.7 | Very high | 86.8 | Confident | 63 Ų | 63 | 27.2 Ų | 27.2 | 25% | 0.247 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 144.2 | -177.2 | 167 | -92.2 | 0 | 0 | 0 | 112.1 | F435 H436 N437 Y438 I459 I460 F461 | Y293-F435 WeakPolarHBondContact CD2-O 3.4Å; Y293-H436 WeakPolarHBondContact CE2-O 3.11Å; Y293-N437 VanDerWaalsContact CD2-C 3.49Å; Y293-N437 VanDerWaalsContact CE2-C 3.47Å; Y293-Y438 HydrophobicContact CD1-CD2 4.05Å; Y293-Y438 HydrophobicContact CE1-CD2 4.08Å; Y293-Y438 HydrophobicContact CE1-CG 4.48Å; Y293-I459 PolarHBondContact N-O 3.38Å; Y293-I460 HydrophobicContact CD1-CG2 4.27Å; Y293-I460 WeakPolarHBondContact O-CA 3.4Å; Y293-F461 PolarHBondContact O-N 3.32Å |
| 294 | P | 91.5 | Very high | 86.9 | Confident | 23 Ų | 23 | 34 Ų | 34 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | S | Bend | cis | -66.9 | 157.3 | -19.6 | 31.3 | -35.7 | 0 | 0 | 0 | 110.7 | T299 F435 | P294-T299 PolarHBondContact O-OG1 3.26Å; P294-F435 CarbonylContact C-O 3.52Å; P294-F435 WeakPolarHBondContact CA-O 3.5Å |
| 295 | S | 87.1 | Confident | 86.8 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | trans | -93.5 | 110.9 | 163.5 | 172.1 | 0 | 0 | 0 | 0 | 109.2 | D300 F435 H436 | S295-D300 WeakPolarHBondContact CA-OD1 3.39Å; S295-D300 WeakPolarHBondContact CB-OD1 3.5Å; S295-D300 VanDerWaalsContact OG-CG 3.28Å; S295-D300 PolarHBondContact OG-OD1 3.31Å; S295-D300 PolarHBondContact OG-OD2 2.86Å; S295-F435 PolarHBondContact N-O 3.26Å; S295-H436 PolarHBondContact O-CE1 2.97Å; S295-H436 PolarHBondContact O-ND1 2.86Å | ||
| 296 | N | 84.4 | Confident | 86.9 | Confident | 89 Ų | 89 | 34.6 Ų | 34.6 | 48% | 0.476 | 16% | 0.164 | S | C | . | . | trans | -134.7 | 155.6 | 174.6 | -69.8 | -8 | 0 | 0 | 0 | 107.4 | F298 T299 D300 | N296-F298 CarbonylContact O-C 3.55Å; N296-F298 PolarHBondContact O-N 2.83Å; N296-T299 PolarHBondContact N-OG1 3.01Å; N296-T299 PolarHBondContact O-N 3.28Å; N296-T299 PolarHBondContact O-OG1 3.5Å; N296-D300 PolarHBondContact N-OD1 2.86Å; N296-D300 PolarHBondContact O-N 3.49Å; N296-D300 VanDerWaalsContact O-OD1 3.07Å | ||
| 297 | Q | 83.2 | Confident | 86.9 | Confident | 159 Ų | 159 | 34.2 Ų | 34.2 | 74% | 0.743 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -42 | -41 | -178.3 | -173.1 | -179.7 | 2.6 | 0 | 0 | 115.2 | E301 | Q297-E301 WeakPolarHBondContact O-CB 3.29Å; Q297-E301 PolarHBondContact O-N 3.03Å |
| 298 | F | 82.6 | Confident | 86.8 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.8 | -39.3 | 177.8 | 176.5 | -106.9 | 0 | 0 | 0 | 114.8 | N296 D300 E301 I302 I464 L468 F550 I553 | N296-F298 CarbonylContact O-C 3.55Å; N296-F298 PolarHBondContact O-N 2.83Å; F298-D300 VanDerWaalsContact C-N 3.31Å; F298-E301 PolarHBondContact O-N 3.46Å; F298-I302 HydrophobicContact CD1-CD1 4.18Å; F298-I302 HydrophobicContact CE1-CD1 3.57Å; F298-I302 HydrophobicContact CE2-CD1 4.44Å; F298-I302 HydrophobicContact CZ-CD1 3.72Å; F298-I302 HydrophobicContact CZ-CG1 4.32Å; F298-I302 WeakPolarHBondContact O-CG1 3.37Å; F298-I302 PolarHBondContact O-N 2.88Å; F298-I302 VanDerWaalsContact O-N 3.16Å; F298-I464 HydrophobicContact CD1-CD1 4.26Å; F298-I464 HydrophobicContact CD1-CG2 3.83Å; F298-I464 HydrophobicContact CE1-CG2 3.63Å; F298-L468 HydrophobicContact CE1-CD1 4Å; F298-L468 HydrophobicContact CE2-CB 4.46Å; F298-L468 HydrophobicContact CE2-CD1 4.25Å; F298-L468 HydrophobicContact CE2-CD2 4.01Å; F298-L468 HydrophobicContact CE2-CG 4.48Å; F298-L468 HydrophobicContact CZ-CB 4.43Å; F298-L468 HydrophobicContact CZ-CD1 3.63Å; F298-L468 HydrophobicContact CZ-CD2 4.22Å; F298-L468 HydrophobicContact CZ-CG 4.32Å; F298-F550 HydrophobicContact CZ-CD2 4.04Å; F298-F550 HydrophobicContact CZ-CE2 4.1Å; F298-I553 HydrophobicContact CD2-CG2 4.2Å; F298-I553 HydrophobicContact CE2-CG2 3.66Å |
| 299 | T | 86.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.4 | -35.1 | 174.4 | 54 | 0 | 0 | 0 | 0 | 110.8 | P294 N296 E301 I302 I303 F461 I464 | P294-T299 PolarHBondContact O-OG1 3.26Å; N296-T299 PolarHBondContact N-OG1 3.01Å; N296-T299 PolarHBondContact O-N 3.28Å; N296-T299 PolarHBondContact O-OG1 3.5Å; T299-E301 VanDerWaalsContact C-N 3.31Å; T299-I302 WeakPolarHBondContact O-CB 3.47Å; T299-I302 PolarHBondContact O-N 3.22Å; T299-I303 WeakPolarHBondContact O-CG1 3.47Å; T299-I303 PolarHBondContact O-N 3.07Å; T299-F461 HydrophobicContact CG2-CB 4.37Å; T299-F461 HydrophobicContact CG2-CD1 4.33Å; T299-F461 HydrophobicContact CG2-CD2 3.52Å; T299-F461 HydrophobicContact CG2-CE2 3.77Å; T299-F461 HydrophobicContact CG2-CG 3.83Å; T299-F461 HydrophobicContact CG2-CZ 4.27Å; T299-I464 HydrophobicContact CG2-CD1 4.13Å |
| 300 | D | 87.8 | Confident | 86.4 | Confident | 50 Ų | 50 | 40.6 Ų | 40.6 | 27% | 0.267 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.3 | -36.1 | 179.1 | -50.8 | -10.8 | 0 | 0 | 0 | 109.8 | Y292 S295 N296 F298 I303 Y304 | Y292-D300 WeakPolarHBondContact CE2-OD1 3.4Å; Y292-D300 PolarHBondContact OH-OD1 2.94Å; S295-D300 WeakPolarHBondContact CA-OD1 3.39Å; S295-D300 WeakPolarHBondContact CB-OD1 3.5Å; S295-D300 VanDerWaalsContact OG-CG 3.28Å; S295-D300 PolarHBondContact OG-OD1 3.31Å; S295-D300 PolarHBondContact OG-OD2 2.86Å; N296-D300 PolarHBondContact N-OD1 2.86Å; N296-D300 PolarHBondContact O-N 3.49Å; N296-D300 VanDerWaalsContact O-OD1 3.07Å; F298-D300 VanDerWaalsContact C-N 3.31Å; D300-I303 PolarHBondContact O-N 2.72Å; D300-Y304 VanDerWaalsContact O-CB 3.3Å; D300-Y304 WeakPolarHBondContact O-CB 3.45Å; D300-Y304 PolarHBondContact O-N 3.5Å |
| 301 | E | 86.5 | Confident | 86.1 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 170.3 | -168.2 | -173.7 | -177.3 | 0 | 0 | 112.4 | Q297 F298 T299 N305 I553 | Q297-E301 WeakPolarHBondContact O-CB 3.29Å; Q297-E301 PolarHBondContact O-N 3.03Å; F298-E301 PolarHBondContact O-N 3.46Å; T299-E301 VanDerWaalsContact C-N 3.31Å; E301-N305 WeakPolarHBondContact O-CB 3.45Å; E301-N305 PolarHBondContact O-N 3.04Å; E301-N305 VanDerWaalsContact O-N 3.13Å; E301-N305 PolarHBondContact O-ND2 2.87Å; E301-I553 HydrophobicContact CB-CD1 4.17Å; E301-I553 HydrophobicContact CG-CD1 3.74Å; E301-I553 HydrophobicContact CG-CG1 4.09Å |
| 302 | I | 87.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 173.2 | -71.4 | 169.6 | 0 | 0 | 0 | 110.5 | F298 T299 N305 M306 F461 L546 S549 F550 I553 | F298-I302 HydrophobicContact CD1-CD1 4.18Å; F298-I302 HydrophobicContact CE1-CD1 3.57Å; F298-I302 HydrophobicContact CE2-CD1 4.44Å; F298-I302 HydrophobicContact CZ-CD1 3.72Å; F298-I302 HydrophobicContact CZ-CG1 4.32Å; F298-I302 WeakPolarHBondContact O-CG1 3.37Å; F298-I302 PolarHBondContact O-N 2.88Å; F298-I302 VanDerWaalsContact O-N 3.16Å; T299-I302 WeakPolarHBondContact O-CB 3.47Å; T299-I302 PolarHBondContact O-N 3.22Å; I302-N305 PolarHBondContact O-N 3.45Å; I302-M306 WeakPolarHBondContact O-CB 3.47Å; I302-M306 PolarHBondContact O-N 3.39Å; I302-F461 HydrophobicContact CD1-CE1 4.07Å; I302-F461 HydrophobicContact CG2-CE1 4.46Å; I302-F461 HydrophobicContact CG2-CZ 4.24Å; I302-L546 HydrophobicContact CG2-CD2 3.96Å; I302-L546 HydrophobicContact CG2-CG 4.25Å; I302-S549 WeakPolarHBondContact CG2-OG 3.39Å; I302-S549 WeakPolarHBondContact O-CB 3.12Å; I302-S549 PolarHBondContact O-OG 2.8Å; I302-F550 HydrophobicContact CD1-CD2 4.25Å; I302-I553 HydrophobicContact CB-CD1 4.22Å; I302-I553 HydrophobicContact CG1-CD1 3.63Å |
| 303 | I | 88.6 | Confident | 84.9 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.4 | -37.5 | -177.5 | -65 | -62.3 | 0 | 0 | 0 | 112 | Y292 T299 D300 N305 M306 G307 F432 I459 | Y292-I303 HydrophobicContact CD1-CD1 4.41Å; Y292-I303 HydrophobicContact CD1-CG1 4.03Å; Y292-I303 HydrophobicContact CD1-CG2 4.37Å; Y292-I303 HydrophobicContact CD2-CG1 4.02Å; Y292-I303 HydrophobicContact CE1-CB 4.26Å; Y292-I303 HydrophobicContact CE1-CG1 3.99Å; Y292-I303 HydrophobicContact CE1-CG2 3.84Å; Y292-I303 HydrophobicContact CE2-CG1 3.96Å; Y292-I303 HydrophobicContact CG-CD1 4.39Å; Y292-I303 HydrophobicContact CG-CG1 4.02Å; T299-I303 WeakPolarHBondContact O-CG1 3.47Å; T299-I303 PolarHBondContact O-N 3.07Å; D300-I303 PolarHBondContact O-N 2.72Å; I303-N305 VanDerWaalsContact C-N 3.34Å; I303-N305 PolarHBondContact O-N 3.22Å; I303-M306 HydrophobicContact CD1-SD 3.92Å; I303-M306 WeakPolarHBondContact O-CB 3.37Å; I303-M306 PolarHBondContact O-N 2.92Å; I303-G307 PolarHBondContact O-N 2.98Å; I303-F432 HydrophobicContact CG2-CB 4.01Å; I303-F432 HydrophobicContact CG2-CD1 3.42Å; I303-F432 VanDerWaalsContact CG2-CD1 3.42Å; I303-F432 HydrophobicContact CG2-CE1 3.99Å; I303-F432 HydrophobicContact CG2-CG 3.83Å; I303-I459 HydrophobicContact CD1-CD1 3.93Å |
| 304 | Y | 88.2 | Confident | 84.3 | Confident | 145 Ų | 145 | 43 Ų | 43 | 57% | 0.569 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -59.4 | -45 | 173.8 | 179.3 | -94.6 | 0 | 0 | 0 | 111.7 | D300 G307 R311 | D300-Y304 VanDerWaalsContact O-CB 3.3Å; D300-Y304 WeakPolarHBondContact O-CB 3.45Å; D300-Y304 PolarHBondContact O-N 3.5Å; Y304-G307 PolarHBondContact O-N 3.08Å; Y304-R311 VanDerWaalsContact CZ-NH1 3.35Å; Y304-R311 PolarHBondContact O-NH2 3.08Å; Y304-R311 PolarHBondContact OH-NH1 2.94Å; Y304-R311 VanDerWaalsContact OH-NH1 3.14Å |
| 305 | N | 85.3 | Confident | 83.6 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.6 | -33.7 | 177.4 | -75.4 | -52.4 | 0 | 0 | 0 | 112.6 | E301 I302 I303 G307 K308 | E301-N305 WeakPolarHBondContact O-CB 3.45Å; E301-N305 PolarHBondContact O-N 3.04Å; E301-N305 VanDerWaalsContact O-N 3.13Å; E301-N305 PolarHBondContact O-ND2 2.87Å; I302-N305 PolarHBondContact O-N 3.45Å; I303-N305 VanDerWaalsContact C-N 3.34Å; I303-N305 PolarHBondContact O-N 3.22Å; N305-G307 VanDerWaalsContact C-N 3.26Å; N305-G307 PolarHBondContact O-N 2.85Å; N305-K308 PolarHBondContact O-N 3.05Å |
| 306 | M | 86.6 | Confident | 83.1 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58 | -39.5 | 169 | -167.3 | -168.1 | 178 | 0 | 0 | 111.3 | I290 I302 I303 K308 F432 I542 Q545 L546 | I290-M306 HydrophobicContact CD1-CE 3.85Å; I290-M306 HydrophobicContact CD1-SD 4.33Å; I302-M306 WeakPolarHBondContact O-CB 3.47Å; I302-M306 PolarHBondContact O-N 3.39Å; I303-M306 HydrophobicContact CD1-SD 3.92Å; I303-M306 WeakPolarHBondContact O-CB 3.37Å; I303-M306 PolarHBondContact O-N 2.92Å; M306-K308 PolarHBondContact O-N 2.9Å; M306-F432 HydrophobicContact CG-CE1 4.47Å; M306-F432 HydrophobicContact SD-CE1 3.98Å; M306-I542 HydrophobicContact CE-CB 4.07Å; M306-I542 HydrophobicContact CE-CG1 3.92Å; M306-I542 HydrophobicContact CE-CG2 3.88Å; M306-Q545 HydrophobicContact CE-CB 3.99Å; M306-Q545 HydrophobicContact CG-CB 3.56Å; M306-L546 HydrophobicContact SD-CB 4.48Å |
| 307 | G | 82.1 | Confident | 82.7 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | I303 Y304 N305 T310 R311 | I303-G307 PolarHBondContact O-N 2.98Å; Y304-G307 PolarHBondContact O-N 3.08Å; N305-G307 VanDerWaalsContact C-N 3.26Å; N305-G307 PolarHBondContact O-N 2.85Å; G307-T310 WeakPolarHBondContact CA-OG1 3.45Å; G307-T310 PolarHBondContact O-OG1 2.86Å; G307-T310 VanDerWaalsContact O-OG1 3.12Å; G307-R311 WeakPolarHBondContact O-CG 3.45Å; G307-R311 PolarHBondContact O-NE 2.93Å |
| 308 | K | 81.2 | Confident | 82.4 | Confident | 93 Ų | 93 | 38.4 Ų | 38.4 | 40% | 0.404 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -70.7 | -50.7 | 177.6 | -158.3 | -179.1 | -173.4 | -173.1 | 0 | 111.6 | N305 M306 T310 R311 L312 L1489 | N305-K308 PolarHBondContact O-N 3.05Å; M306-K308 PolarHBondContact O-N 2.9Å; K308-T310 PolarHBondContact O-N 3.45Å; K308-R311 PolarHBondContact O-N 3.34Å; K308-L312 PolarHBondContact O-N 3.04Å; K308-L1489 HydrophobicContact CD-CD1 4.03Å; K308-L1489 HydrophobicContact CD-CD2 3.87Å; K308-L1489 HydrophobicContact CG-CD1 3.86Å |
| 309 | Y | 79.4 | Confident | 82 | Confident | 38 Ų | 38 | 38.5 Ų | 38.5 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.6 | -32.5 | -178.2 | -62.1 | -79.7 | 0 | 0 | 0 | 113.8 | S77 L81 R311 L312 L313 L1489 | S77-Y309 VanDerWaalsContact O-CZ 3.26Å; S77-Y309 PolarHBondContact O-OH 3.02Å; L81-Y309 HydrophobicContact CD1-CD1 4.44Å; Y309-R311 VanDerWaalsContact C-N 3.33Å; Y309-R311 PolarHBondContact O-N 3.45Å; Y309-L312 PolarHBondContact O-N 3.41Å; Y309-L313 WeakPolarHBondContact O-CG 3.48Å; Y309-L313 PolarHBondContact O-N 2.93Å; Y309-L313 VanDerWaalsContact O-N 3.13Å; Y309-L1489 HydrophobicContact CE1-CB 4.3Å; Y309-L1489 HydrophobicContact CE1-CD2 4.15Å |
| 310 | T | 80.1 | Confident | 81.4 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.3 | -33 | 177.1 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | G307 K308 L313 N314 K431 F432 | G307-T310 WeakPolarHBondContact CA-OG1 3.45Å; G307-T310 PolarHBondContact O-OG1 2.86Å; G307-T310 VanDerWaalsContact O-OG1 3.12Å; K308-T310 PolarHBondContact O-N 3.45Å; T310-L313 PolarHBondContact O-N 2.79Å; T310-N314 PolarHBondContact O-N 2.86Å; T310-K431 HydrophobicContact CG2-CD 3.84Å; T310-K431 HydrophobicContact CG2-CG 4.14Å; T310-F432 HydrophobicContact CG2-CE2 4.22Å |
| 311 | R | 82.2 | Confident | 80.7 | Confident | 88 Ų | 88 | 39.6 Ų | 39.6 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.2 | -43.2 | 173.1 | -74.2 | 179.9 | -80.9 | 164.1 | -12.2 | 111.8 | Y304 G307 K308 Y309 L313 N314 N315 | Y304-R311 VanDerWaalsContact CZ-NH1 3.35Å; Y304-R311 PolarHBondContact O-NH2 3.08Å; Y304-R311 PolarHBondContact OH-NH1 2.94Å; Y304-R311 VanDerWaalsContact OH-NH1 3.14Å; G307-R311 WeakPolarHBondContact O-CG 3.45Å; G307-R311 PolarHBondContact O-NE 2.93Å; K308-R311 PolarHBondContact O-N 3.34Å; Y309-R311 VanDerWaalsContact C-N 3.33Å; Y309-R311 PolarHBondContact O-N 3.45Å; R311-L313 VanDerWaalsContact C-N 3.3Å; R311-L313 PolarHBondContact O-N 3.1Å; R311-N314 WeakPolarHBondContact O-CB 3.28Å; R311-N314 PolarHBondContact O-N 3.29Å; R311-N314 VanDerWaalsContact O-N 3.09Å; R311-N315 PolarHBondContact O-N 3.48Å; R311-N315 PolarHBondContact O-OD1 3.5Å |
| 312 | L | 80.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.2 | -42.9 | 173.2 | 169.1 | 153.4 | 0 | 0 | 0 | 112.3 | L81 K308 Y309 N314 N315 F316 D1486 L1489 I1490 | L81-L312 HydrophobicContact CD1-CD2 4.17Å; L81-L312 HydrophobicContact CD2-CD2 3.88Å; L81-L312 HydrophobicContact CG-CD2 4.48Å; K308-L312 PolarHBondContact O-N 3.04Å; Y309-L312 PolarHBondContact O-N 3.41Å; L312-N314 VanDerWaalsContact C-N 3.28Å; L312-N314 PolarHBondContact O-N 3.48Å; L312-N315 PolarHBondContact O-N 2.91Å; L312-F316 HydrophobicContact CD2-CD2 3.61Å; L312-F316 HydrophobicContact CD2-CE2 3.79Å; L312-F316 HydrophobicContact CG-CD2 3.99Å; L312-F316 HydrophobicContact CG-CE2 4.1Å; L312-F316 PolarHBondContact O-N 2.92Å; L312-D1486 HydrophobicContact CD1-CB 3.97Å; L312-D1486 VanDerWaalsContact CD1-O 3.31Å; L312-D1486 WeakPolarHBondContact CD1-O 3.26Å; L312-D1486 HydrophobicContact CG-CB 4.22Å; L312-L1489 HydrophobicContact CB-CD1 4.44Å; L312-L1489 HydrophobicContact CD1-CB 3.46Å; L312-L1489 VanDerWaalsContact CD1-CB 3.46Å; L312-L1489 HydrophobicContact CD1-CD1 3.94Å; L312-L1489 HydrophobicContact CD1-CG 4.33Å; L312-I1490 HydrophobicContact CD1-CG1 4.2Å |
| 313 | L | 78.7 | Confident | 79.3 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -33 | 177.9 | -68.3 | 173.1 | 0 | 0 | 0 | 112.4 | L81 F285 Y309 T310 R311 R317 F422 I428 | L81-L313 HydrophobicContact CD1-CD2 4.22Å; L81-L313 HydrophobicContact CD2-CD2 4.11Å; F285-L313 HydrophobicContact CE2-CD1 4.05Å; F285-L313 HydrophobicContact CZ-CD1 3.75Å; F285-L313 HydrophobicContact CZ-CD2 4.46Å; Y309-L313 WeakPolarHBondContact O-CG 3.48Å; Y309-L313 PolarHBondContact O-N 2.93Å; Y309-L313 VanDerWaalsContact O-N 3.13Å; T310-L313 PolarHBondContact O-N 2.79Å; R311-L313 VanDerWaalsContact C-N 3.3Å; R311-L313 PolarHBondContact O-N 3.1Å; L313-R317 WeakPolarHBondContact O-CB 3.3Å; L313-R317 PolarHBondContact O-N 3.05Å; L313-F422 HydrophobicContact CD2-CE1 3.92Å; L313-I428 HydrophobicContact CB-CD1 4.32Å |
| 314 | N | 79.7 | Confident | 78.6 | Confident | 37 Ų | 37 | 42.1 Ų | 42.1 | 20% | 0.198 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 173.2 | -168.6 | 42.2 | 0 | 0 | 0 | 111.9 | T310 R311 L312 R317 Q318 I428 | T310-N314 PolarHBondContact O-N 2.86Å; R311-N314 WeakPolarHBondContact O-CB 3.28Å; R311-N314 PolarHBondContact O-N 3.29Å; R311-N314 VanDerWaalsContact O-N 3.09Å; L312-N314 VanDerWaalsContact C-N 3.28Å; L312-N314 PolarHBondContact O-N 3.48Å; N314-R317 WeakPolarHBondContact O-CB 3.43Å; N314-R317 PolarHBondContact O-N 2.84Å; N314-R317 PolarHBondContact OD1-NE 3.49Å; N314-R317 PolarHBondContact OD1-NH2 3.41Å; N314-Q318 WeakPolarHBondContact O-CG 3.24Å; N314-Q318 PolarHBondContact O-N 3.04Å; N314-Q318 VanDerWaalsContact O-N 3.12Å; N314-I428 HydrophobicContact CB-CD1 4.35Å; N314-I428 HydrophobicContact CB-CG2 4.12Å |
| 315 | N | 76.8 | Confident | 77.7 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.8 | -64.6 | 0.5 | 0 | 0 | 0 | 110.5 | R311 L312 Q318 L319 Q1481 D1486 | R311-N315 PolarHBondContact O-N 3.48Å; R311-N315 PolarHBondContact O-OD1 3.5Å; L312-N315 PolarHBondContact O-N 2.91Å; N315-Q318 PolarHBondContact O-N 2.93Å; N315-L319 WeakPolarHBondContact O-CG 3.01Å; N315-L319 PolarHBondContact O-N 2.71Å; N315-Q1481 PolarHBondContact ND2-NE2 3.02Å; N315-Q1481 VanDerWaalsContact ND2-NE2 3.12Å; N315-D1486 PolarHBondContact ND2-OD2 2.85Å |
| 316 | F | 76.9 | Confident | 76.9 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 170.8 | -95.8 | -73.4 | 0 | 0 | 0 | 113.7 | L312 Q318 L319 I320 F1482 I1490 | L312-F316 HydrophobicContact CD2-CD2 3.61Å; L312-F316 HydrophobicContact CD2-CE2 3.79Å; L312-F316 HydrophobicContact CG-CD2 3.99Å; L312-F316 HydrophobicContact CG-CE2 4.1Å; L312-F316 PolarHBondContact O-N 2.92Å; F316-Q318 PolarHBondContact O-N 3.32Å; F316-L319 PolarHBondContact O-N 2.78Å; F316-I320 PolarHBondContact O-N 3.11Å; F316-I320 VanDerWaalsContact O-N 3.13Å; F316-F1482 HydrophobicContact CD2-CE2 4.39Å; F316-F1482 AromaticContact CE1-CE2 4Å; F316-F1482 HydrophobicContact CE1-CE2 4Å; F316-F1482 HydrophobicContact CE1-CZ 4.26Å; F316-F1482 AromaticContact CE2-CE2 3.81Å; F316-F1482 HydrophobicContact CE2-CE2 3.81Å; F316-F1482 AromaticContact CZ-CE2 3.6Å; F316-F1482 HydrophobicContact CZ-CE2 3.6Å; F316-F1482 HydrophobicContact CZ-CZ 4.04Å; F316-I1490 HydrophobicContact CE2-CD1 3.87Å; F316-I1490 HydrophobicContact CE2-CG1 3.94Å; F316-I1490 HydrophobicContact CZ-CD1 3.62Å; F316-I1490 HydrophobicContact CZ-CG1 4.09Å |
| 317 | R | 77.5 | Confident | 76.1 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.1 | -39 | 174.5 | 177.6 | 172.6 | 69.3 | 164.5 | -3.8 | 111.1 | L313 N314 N321 F422 N423 D429 | L313-R317 WeakPolarHBondContact O-CB 3.3Å; L313-R317 PolarHBondContact O-N 3.05Å; N314-R317 WeakPolarHBondContact O-CB 3.43Å; N314-R317 PolarHBondContact O-N 2.84Å; N314-R317 PolarHBondContact OD1-NE 3.49Å; N314-R317 PolarHBondContact OD1-NH2 3.41Å; R317-N321 PolarHBondContact O-OD1 3.37Å; R317-F422 HydrophobicContact CB-CB 4.19Å; R317-F422 HydrophobicContact CG-CB 4.31Å; R317-N423 WeakPolarHBondContact CD-OD1 3.42Å; R317-N423 WeakPolarHBondContact CG-OD1 3.37Å; R317-D429 IonicContact CZ-OD2 2.95Å; R317-D429 IonicContact NH1-OD2 3.97Å; R317-D429 PolarHBondContact NH1-OD2 3.37Å; R317-D429 IonicContact NH2-OD1 2.7Å; R317-D429 PolarHBondContact NH2-OD1 2.92Å; R317-D429 IonicContact NH2-OD2 3.18Å; R317-D429 PolarHBondContact NH2-OD2 3.3Å |
| 318 | Q | 76.5 | Confident | 75.4 | Confident | 75 Ų | 75 | 47.6 Ų | 47.6 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -79.2 | -34.1 | 179.6 | -65.8 | 170.2 | -41.5 | 0 | 0 | 113.3 | N314 N315 F316 N321 H322 L1478 | N314-Q318 WeakPolarHBondContact O-CG 3.24Å; N314-Q318 PolarHBondContact O-N 3.04Å; N314-Q318 VanDerWaalsContact O-N 3.12Å; N315-Q318 PolarHBondContact O-N 2.93Å; F316-Q318 PolarHBondContact O-N 3.32Å; Q318-N321 PolarHBondContact O-N 2.89Å; Q318-H322 PolarHBondContact O-N 3.07Å; Q318-L1478 HydrophobicContact CB-CD1 3.56Å; Q318-L1478 HydrophobicContact CB-CD2 4.24Å; Q318-L1478 HydrophobicContact CG-CD1 4.29Å |
| 319 | L | 74 | Confident | 74.7 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 175.3 | -72.3 | 167.1 | 0 | 0 | 0 | 113.2 | N315 F316 N321 H322 Y323 L1478 W1479 F1482 | N315-L319 WeakPolarHBondContact O-CG 3.01Å; N315-L319 PolarHBondContact O-N 2.71Å; F316-L319 PolarHBondContact O-N 2.78Å; L319-N321 VanDerWaalsContact C-N 3.27Å; L319-N321 PolarHBondContact O-N 3.41Å; L319-H322 WeakPolarHBondContact O-CB 3.32Å; L319-H322 PolarHBondContact O-N 3.43Å; L319-H322 VanDerWaalsContact O-N 3.14Å; L319-Y323 PolarHBondContact O-N 3.35Å; L319-L1478 HydrophobicContact CD2-CD2 3.69Å; L319-L1478 HydrophobicContact CG-CD2 3.68Å; L319-W1479 HydrophobicContact CD2-CD2 4.47Å; L319-W1479 HydrophobicContact CD2-CE3 3.52Å; L319-W1479 HydrophobicContact CD2-CZ3 4Å; L319-F1482 HydrophobicContact CD1-CB 3.94Å; L319-F1482 HydrophobicContact CD1-CD1 3.95Å; L319-F1482 HydrophobicContact CD1-CD2 3.42Å; L319-F1482 VanDerWaalsContact CD1-CD2 3.42Å; L319-F1482 HydrophobicContact CD1-CE1 4.3Å; L319-F1482 HydrophobicContact CD1-CE2 3.81Å; L319-F1482 HydrophobicContact CD1-CG 3.49Å; L319-F1482 VanDerWaalsContact CD1-CG 3.49Å; L319-F1482 HydrophobicContact CD1-CZ 4.24Å |
| 320 | I | 74.3 | Confident | 74.1 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -37.7 | 177.2 | -75.8 | 162.7 | 0 | 0 | 0 | 111.2 | F316 H322 Y323 S324 I415 L418 Y419 F422 | F316-I320 PolarHBondContact O-N 3.11Å; F316-I320 VanDerWaalsContact O-N 3.13Å; I320-H322 VanDerWaalsContact C-N 3.3Å; I320-H322 PolarHBondContact O-N 3.47Å; I320-Y323 PolarHBondContact O-N 2.9Å; I320-S324 PolarHBondContact O-N 3.39Å; I320-I415 HydrophobicContact CG2-CG2 3.86Å; I320-L418 HydrophobicContact CD1-CB 3.79Å; I320-Y419 HydrophobicContact CG2-CD2 4.04Å; I320-Y419 HydrophobicContact CG2-CG 4.47Å; I320-F422 HydrophobicContact CD1-CD2 3.45Å; I320-F422 VanDerWaalsContact CD1-CD2 3.45Å; I320-F422 HydrophobicContact CD1-CE2 3.58Å |
| 321 | N | 72.6 | Confident | 73.3 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.6 | -28.7 | 176.4 | -60 | -1.4 | 0 | 0 | 0 | 112.4 | R317 Q318 L319 S324 N325 Y419 | R317-N321 PolarHBondContact O-OD1 3.37Å; Q318-N321 PolarHBondContact O-N 2.89Å; L319-N321 VanDerWaalsContact C-N 3.27Å; L319-N321 PolarHBondContact O-N 3.41Å; N321-S324 PolarHBondContact O-OG 3.47Å; N321-S324 VanDerWaalsContact O-OG 3.09Å; N321-N325 PolarHBondContact O-ND2 3.23Å; N321-N325 PolarHBondContact O-OD1 2.96Å; N321-Y419 WeakPolarHBondContact OD1-CD2 3.2Å; N321-Y419 VanDerWaalsContact OD1-CE2 3.23Å; N321-Y419 WeakPolarHBondContact OD1-CE2 3.29Å |
| 322 | H | 73.2 | Confident | 72.4 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 25% | 0.25 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -38.7 | 170.6 | -85.9 | -76.8 | 0 | 0 | 0 | 111.8 | Q318 L319 I320 S324 N325 E326 | Q318-H322 PolarHBondContact O-N 3.07Å; L319-H322 WeakPolarHBondContact O-CB 3.32Å; L319-H322 PolarHBondContact O-N 3.43Å; L319-H322 VanDerWaalsContact O-N 3.14Å; I320-H322 VanDerWaalsContact C-N 3.3Å; I320-H322 PolarHBondContact O-N 3.47Å; H322-S324 PolarHBondContact O-N 2.86Å; H322-N325 PolarHBondContact O-N 3.5Å; H322-E326 IonicContact CE1-OE1 3.21Å; H322-E326 PolarHBondContact CE1-OE1 3.17Å; H322-E326 IonicContact CE1-OE2 2.65Å; H322-E326 IonicContact CG-OE2 3.43Å; H322-E326 IonicContact ND1-OE1 3.84Å; H322-E326 PolarHBondContact ND1-OE1 3.44Å; H322-E326 IonicContact ND1-OE2 3.02Å; H322-E326 PolarHBondContact ND1-OE2 3.22Å; H322-E326 PolarHBondContact O-N 3.19Å |
| 323 | Y | 72.3 | Confident | 71.6 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -58.5 | -48.7 | 179.8 | 170.6 | -88.3 | 0 | 0 | 0 | 112.6 | L319 I320 N325 L327 R328 I411 D412 I415 | L319-Y323 PolarHBondContact O-N 3.35Å; I320-Y323 PolarHBondContact O-N 2.9Å; Y323-N325 PolarHBondContact O-N 3.14Å; Y323-L327 HydrophobicContact CD2-CB 3.82Å; Y323-L327 HydrophobicContact CD2-CD1 4.2Å; Y323-L327 HydrophobicContact CE2-CB 4.3Å; Y323-L327 PolarHBondContact O-N 3.03Å; Y323-R328 HydrophobicContact CD1-CB 4.48Å; Y323-R328 HydrophobicContact CE1-CB 3.91Å; Y323-R328 HydrophobicContact CE1-CG 4.37Å; Y323-R328 HydrophobicContact CE2-CB 4.48Å; Y323-R328 WeakPolarHBondContact O-CB 3.4Å; Y323-R328 PolarHBondContact O-N 3.4Å; Y323-R328 VanDerWaalsContact O-N 3.07Å; Y323-I411 HydrophobicContact CE2-CG2 4.09Å; Y323-I411 WeakPolarHBondContact OH-CG2 3.14Å; Y323-D412 PolarHBondContact OH-OD1 3.22Å; Y323-I415 HydrophobicContact CD1-CB 4.26Å; Y323-I415 HydrophobicContact CD1-CD1 3.49Å; Y323-I415 VanDerWaalsContact CD1-CD1 3.49Å; Y323-I415 HydrophobicContact CD1-CG1 4.45Å; Y323-I415 HydrophobicContact CD1-CG2 3.72Å; Y323-I415 HydrophobicContact CD2-CD1 3.75Å; Y323-I415 HydrophobicContact CE1-CB 4.41Å; Y323-I415 HydrophobicContact CE1-CD1 3.59Å; Y323-I415 HydrophobicContact CE1-CG2 4.34Å; Y323-I415 HydrophobicContact CE2-CD1 3.83Å; Y323-I415 HydrophobicContact CG-CD1 3.59Å; Y323-I415 HydrophobicContact CG-CG2 4.35Å |
| 324 | S | 72.4 | Confident | 70.8 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -62.5 | -31 | -176.6 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | I320 N321 H322 | I320-S324 PolarHBondContact O-N 3.39Å; N321-S324 PolarHBondContact O-OG 3.47Å; N321-S324 VanDerWaalsContact O-OG 3.09Å; H322-S324 PolarHBondContact O-N 2.86Å |
| 325 | N | 70.2 | Confident | 69.8 | Low | 113 Ų | 113 | 60.7 Ų | 60.7 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | I | π-helix | trans | -95.5 | -35.1 | -169 | -61.7 | 1.4 | 0 | 0 | 0 | 112.7 | N321 H322 Y323 P329 | N321-N325 PolarHBondContact O-ND2 3.23Å; N321-N325 PolarHBondContact O-OD1 2.96Å; H322-N325 PolarHBondContact O-N 3.5Å; Y323-N325 PolarHBondContact O-N 3.14Å; N325-P329 WeakPolarHBondContact O-CG 3.3Å |
| 326 | E | 68.3 | Low | 68.8 | Low | 60 Ų | 60 | 64.5 Ų | 64.5 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -120.4 | -55.8 | -167.6 | -66.4 | 158.3 | -162.5 | 0 | 0 | 112.6 | H322 P329 W330 | H322-E326 IonicContact CE1-OE1 3.21Å; H322-E326 PolarHBondContact CE1-OE1 3.17Å; H322-E326 IonicContact CE1-OE2 2.65Å; H322-E326 IonicContact CG-OE2 3.43Å; H322-E326 IonicContact ND1-OE1 3.84Å; H322-E326 PolarHBondContact ND1-OE1 3.44Å; H322-E326 IonicContact ND1-OE2 3.02Å; H322-E326 PolarHBondContact ND1-OE2 3.22Å; H322-E326 PolarHBondContact O-N 3.19Å; E326-P329 WeakPolarHBondContact O-CD 3.5Å; E326-W330 PolarHBondContact O-N 2.97Å |
| 327 | L | 68.5 | Low | 67.4 | Low | 47 Ų | 47 | 71.9 Ų | 71.9 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -67.3 | -41.8 | -176.4 | -84.3 | 163.2 | 0 | 0 | 0 | 113.1 | Y323 W330 L331 L1473 | Y323-L327 HydrophobicContact CD2-CB 3.82Å; Y323-L327 HydrophobicContact CD2-CD1 4.2Å; Y323-L327 HydrophobicContact CE2-CB 4.3Å; Y323-L327 PolarHBondContact O-N 3.03Å; L327-W330 PolarHBondContact O-N 3.24Å; L327-L331 PolarHBondContact O-N 2.93Å; L327-L1473 HydrophobicContact CD2-CD1 4.18Å |
| 328 | R | 67.6 | Low | 65.9 | Low | 93 Ų | 93 | 76.6 Ų | 76.6 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -47.2 | -177.2 | -179.9 | -173.3 | -172.9 | -90.3 | -5.4 | 112.9 | Y323 W330 L331 L332 D412 | Y323-R328 HydrophobicContact CD1-CB 4.48Å; Y323-R328 HydrophobicContact CE1-CB 3.91Å; Y323-R328 HydrophobicContact CE1-CG 4.37Å; Y323-R328 HydrophobicContact CE2-CB 4.48Å; Y323-R328 WeakPolarHBondContact O-CB 3.4Å; Y323-R328 PolarHBondContact O-N 3.4Å; Y323-R328 VanDerWaalsContact O-N 3.07Å; R328-W330 VanDerWaalsContact C-N 3.32Å; R328-W330 PolarHBondContact O-N 3.47Å; R328-L331 PolarHBondContact O-N 3.46Å; R328-L332 PolarHBondContact O-N 3.05Å; R328-L332 VanDerWaalsContact O-N 3.15Å; R328-D412 VanDerWaalsContact CD-OD1 3.26Å; R328-D412 WeakPolarHBondContact CD-OD1 3.47Å; R328-D412 IonicContact CZ-OD1 3.61Å; R328-D412 IonicContact CZ-OD2 2.72Å; R328-D412 IonicContact NE-OD1 2.72Å; R328-D412 PolarHBondContact NE-OD1 3.06Å; R328-D412 IonicContact NE-OD2 2.65Å; R328-D412 PolarHBondContact NE-OD2 3.16Å; R328-D412 IonicContact NH2-OD2 3.69Å; R328-D412 PolarHBondContact NH2-OD2 3.29Å |
| 329 | P | 67.4 | Low | 64.2 | Low | 56 Ų | 56 | 81.5 Ų | 81.5 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 172.3 | -26.6 | 36.3 | 0 | 0 | 0 | 113.8 | N325 E326 L332 N333 | N325-P329 WeakPolarHBondContact O-CG 3.3Å; E326-P329 WeakPolarHBondContact O-CD 3.5Å; P329-L332 PolarHBondContact O-N 3.23Å; P329-N333 WeakPolarHBondContact O-CB 3.14Å; P329-N333 PolarHBondContact O-N 2.8Å; P329-N333 PolarHBondContact O-ND2 3.45Å |
| 330 | W | 67.1 | Low | 62.5 | Low | 117 Ų | 117 | 87.6 Ų | 87.6 | 44% | 0.443 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 177.6 | 180 | 86.4 | 0 | 0 | 0 | 111.8 | E326 L327 R328 L332 N333 L334 | E326-W330 PolarHBondContact O-N 2.97Å; L327-W330 PolarHBondContact O-N 3.24Å; R328-W330 VanDerWaalsContact C-N 3.32Å; R328-W330 PolarHBondContact O-N 3.47Å; W330-L332 PolarHBondContact O-N 3.27Å; W330-N333 PolarHBondContact O-N 3.41Å; W330-L334 PolarHBondContact O-N 3.12Å; W330-L334 VanDerWaalsContact O-N 3.12Å |
| 331 | L | 63.7 | Low | 60.8 | Low | 50 Ų | 50 | 94.4 Ų | 94.4 | 26% | 0.262 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.2 | -77.8 | 169.1 | 0 | 0 | 0 | 113 | L327 R328 L334 | L327-L331 PolarHBondContact O-N 2.93Å; R328-L331 PolarHBondContact O-N 3.46Å; L331-L334 PolarHBondContact O-N 3.11Å |
| 332 | L | 63.1 | Low | 59 | Low | 59 Ų | 59 | 99.1 Ų | 99.1 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 178 | -118 | 83.8 | 0 | 0 | 0 | 112.1 | R328 P329 W330 L334 L335 L336 I408 | R328-L332 PolarHBondContact O-N 3.05Å; R328-L332 VanDerWaalsContact O-N 3.15Å; P329-L332 PolarHBondContact O-N 3.23Å; W330-L332 PolarHBondContact O-N 3.27Å; L332-L334 VanDerWaalsContact C-N 3.31Å; L332-L334 PolarHBondContact O-N 3.4Å; L332-L335 PolarHBondContact O-N 2.93Å; L332-L336 HydrophobicContact CD2-CD1 3.95Å; L332-L336 HydrophobicContact CG-CD1 3.93Å; L332-L336 PolarHBondContact O-N 3.42Å; L332-I408 HydrophobicContact CD1-CD1 4.24Å; L332-I408 HydrophobicContact CD1-CG2 4.07Å |
| 333 | N | 63 | Low | 57.3 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -34.4 | -179.9 | -83.1 | -45.3 | 0 | 0 | 0 | 112.6 | P329 W330 L335 | P329-N333 WeakPolarHBondContact O-CB 3.14Å; P329-N333 PolarHBondContact O-N 2.8Å; P329-N333 PolarHBondContact O-ND2 3.45Å; W330-N333 PolarHBondContact O-N 3.41Å; N333-L335 VanDerWaalsContact C-N 3.29Å; N333-L335 PolarHBondContact O-N 2.71Å |
| 334 | L | 62.6 | Low | 55.4 | Low | 108 Ų | 108 | 109.4 Ų | 109.4 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.6 | -31.2 | 177.1 | -159.9 | 94.7 | 0 | 0 | 0 | 112.8 | W330 L331 L332 | W330-L334 PolarHBondContact O-N 3.12Å; W330-L334 VanDerWaalsContact O-N 3.12Å; L331-L334 PolarHBondContact O-N 3.11Å; L332-L334 VanDerWaalsContact C-N 3.31Å; L332-L334 PolarHBondContact O-N 3.4Å |
| 335 | L | 58.5 | Low | 54.1 | Low | 71 Ų | 71 | 113.4 Ų | 113.4 | 37% | 0.372 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -104.5 | -21.2 | -167.8 | -68.8 | 168.2 | 0 | 0 | 0 | 115.2 | L332 N333 W404 I408 | L332-L335 PolarHBondContact O-N 2.93Å; N333-L335 VanDerWaalsContact C-N 3.29Å; N333-L335 PolarHBondContact O-N 2.71Å; L335-W404 HydrophobicContact CB-CD2 4.46Å; L335-W404 HydrophobicContact CB-CE3 4.3Å; L335-W404 HydrophobicContact CB-CH2 4.15Å; L335-W404 HydrophobicContact CB-CZ2 4.28Å; L335-W404 HydrophobicContact CB-CZ3 4.15Å; L335-W404 HydrophobicContact CD1-CD2 4.16Å; L335-W404 HydrophobicContact CD1-CE3 3.73Å; L335-W404 HydrophobicContact CD1-CZ3 4.16Å; L335-I408 HydrophobicContact CD1-CD1 3.89Å |
| 336 | L | 55.2 | Low | 53 | Low | 93 Ų | 93 | 115.8 Ų | 115.8 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -105.3 | -15 | -170.7 | -79.2 | 166.7 | 0 | 0 | 0 | 116.2 | L332 N338 W404 | L332-L336 HydrophobicContact CD2-CD1 3.95Å; L332-L336 HydrophobicContact CG-CD1 3.93Å; L332-L336 PolarHBondContact O-N 3.42Å; L336-N338 PolarHBondContact O-N 2.75Å; L336-W404 HydrophobicContact CD1-CH2 4.24Å; L336-W404 HydrophobicContact CD2-CH2 3.66Å; L336-W404 HydrophobicContact CD2-CZ2 3.92Å; L336-W404 HydrophobicContact CG-CH2 3.7Å; L336-W404 HydrophobicContact CG-CZ2 4.28Å |
| 337 | R | 48.1 | Very low | 52 | Low | 204 Ų | 204 | 119 Ų | 119 | 77% | 0.77 | 59% | 0.594 | S | S | * | * | trans | -86.7 | 70.3 | -159.9 | -160 | 173 | -176.8 | 174.7 | 1.1 | 114.8 | ||||
| 338 | N | 44.9 | Very low | 51.2 | Low | 142 Ų | 142 | 120.7 Ų | 120.7 | 76% | 0.759 | 61% | 0.607 | S | S | * | * | trans | -134.8 | 99.6 | 170.7 | -94.1 | -48.3 | 0 | 0 | 0 | 112.1 | L336 | L336-N338 PolarHBondContact O-N 2.75Š| ||
| 339 | H | 40.4 | Very low | 50.4 | Low | 179 Ų | 179 | 119 Ų | 119 | 83% | 0.829 | 61% | 0.605 | S | S | * | * | S | Bend | -175.3 | -25 | 122.7 | -123.7 | -65.1 | 0 | 0 | 0 | 116.6 | |||
| 340 | N | 38.2 | Very low | 49.6 | Very low | 147 Ų | 147 | 121.3 Ų | 121.3 | 79% | 0.786 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -118.5 | 147.7 | -169.6 | -73.6 | -12.9 | 0 | 0 | 0 | 114.2 | ||
| 341 | N | 39.7 | Very low | 49 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 86% | 0.856 | 62% | 0.617 | S | S | * | * | trans | 74.6 | 117.6 | 174.9 | -62.2 | 1.4 | 0 | 0 | 0 | 116.9 | ||||
| 342 | N | 34.2 | Very low | 48.6 | Very low | 155 Ų | 155 | 124 Ų | 124 | 83% | 0.829 | 63% | 0.63 | S | S | * | * | trans | -74.6 | 126 | 176.6 | -56.8 | -29.7 | 0 | 0 | 0 | 110.9 | ||||
| 343 | N | 37.3 | Very low | 48.5 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 81% | 0.813 | 62% | 0.623 | S | S | * | * | trans | -155.9 | 124 | 146.4 | -106.7 | -22.5 | 0 | 0 | 0 | 108.4 | ||||
| 344 | I | 34 | Very low | 48.4 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | trans | -100.3 | 132.8 | -160.6 | -60.9 | 165.4 | 0 | 0 | 0 | 109.7 | ||||
| 345 | N | 44.6 | Very low | 48.5 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 70% | 0.695 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 175.6 | -41.6 | 137.3 | -87.7 | -14 | 0 | 0 | 0 | 112.2 | Q347 | N345-Q347 PolarHBondContact O-N 3.34Š|
| 346 | N | 46.6 | Very low | 48.8 | Very low | 164 Ų | 164 | 118 Ų | 118 | 88% | 0.877 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 30 | -171.2 | -65.9 | 16.8 | 0 | 0 | 0 | 114.9 | ||
| 347 | Q | 47.6 | Very low | 49.2 | Very low | 127 Ų | 127 | 113.5 Ų | 113.5 | 59% | 0.593 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 2 | -170 | -72.7 | -174.5 | -34.6 | 0 | 0 | 115.5 | N345 N349 I351 | N345-Q347 PolarHBondContact O-N 3.34Å; Q347-N349 PolarHBondContact O-N 3.32Å; Q347-I351 WeakPolarHBondContact O-CD1 3.18Å; Q347-I351 WeakPolarHBondContact O-CG1 3.34Å |
| 348 | T | 51.6 | Low | 50.1 | Low | 83 Ų | 83 | 108.1 Ų | 108.1 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.2 | -36.2 | -177.3 | 40.8 | 0 | 0 | 0 | 0 | 114.2 | I351 K352 | T348-I351 PolarHBondContact O-N 2.91Å; T348-K352 PolarHBondContact O-N 3.01Å |
| 349 | N | 51.2 | Low | 51.2 | Low | 57 Ų | 57 | 105.2 Ų | 105.2 | 31% | 0.305 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -78.5 | -44 | -157.7 | -63.6 | 9.1 | 0 | 0 | 0 | 112.8 | D137 Q347 I351 K352 F353 | D137-N349 PolarHBondContact OD1-ND2 3.23Å; Q347-N349 PolarHBondContact O-N 3.32Å; N349-I351 PolarHBondContact O-N 3.2Å; N349-K352 PolarHBondContact O-N 2.8Å; N349-F353 WeakPolarHBondContact O-CB 3.24Å; N349-F353 PolarHBondContact O-N 3.04Å |
| 350 | L | 51 | Low | 52.6 | Low | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -26.2 | 174.1 | -122.2 | 166.1 | 0 | 0 | 0 | 112 | K354 | L350-K354 WeakPolarHBondContact O-CB 3.43Å; L350-K354 PolarHBondContact O-N 3.04Å |
| 351 | I | 53.9 | Low | 54 | Low | 101 Ų | 101 | 92.9 Ų | 92.9 | 52% | 0.518 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -79.5 | -42 | 175.7 | -59.3 | 177.5 | 0 | 0 | 0 | 111.1 | Q347 T348 N349 K354 N355 | Q347-I351 WeakPolarHBondContact O-CD1 3.18Å; Q347-I351 WeakPolarHBondContact O-CG1 3.34Å; T348-I351 PolarHBondContact O-N 2.91Å; N349-I351 PolarHBondContact O-N 3.2Å; I351-K354 PolarHBondContact O-N 3.33Å; I351-N355 WeakPolarHBondContact O-CB 3.47Å; I351-N355 PolarHBondContact O-N 2.83Å; I351-N355 PolarHBondContact O-ND2 3.48Å |
| 352 | K | 55.5 | Low | 55.4 | Low | 122 Ų | 122 | 89.3 Ų | 89.3 | 53% | 0.53 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -52.1 | -54.5 | 168.2 | -88.6 | -174.6 | 171.7 | -175.7 | 0 | 110.2 | T348 N349 K354 N355 Q356 | T348-K352 PolarHBondContact O-N 3.01Å; N349-K352 PolarHBondContact O-N 2.8Å; K352-K354 PolarHBondContact O-N 3.29Å; K352-N355 CarbonylContact O-C 3.59Å; K352-N355 WeakPolarHBondContact O-CA 3.32Å; K352-N355 WeakPolarHBondContact O-CB 3.36Å; K352-N355 PolarHBondContact O-N 2.83Å; K352-N355 VanDerWaalsContact O-N 3.08Å; K352-Q356 PolarHBondContact O-N 2.82Å |
| 353 | F | 60.8 | Low | 56.8 | Low | 35 Ų | 35 | 85.3 Ų | 85.3 | 15% | 0.154 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | -178.7 | -176.9 | -111.7 | 0 | 0 | 0 | 112.7 | W147 N349 N355 Q356 L357 L383 | W147-F353 AromaticContact CH2-CE2 3.78Å; W147-F353 HydrophobicContact CH2-CE2 3.78Å; W147-F353 AromaticContact CH2-CZ 3.55Å; W147-F353 HydrophobicContact CH2-CZ 3.55Å; W147-F353 AromaticContact CZ2-CE2 3.61Å; W147-F353 HydrophobicContact CZ2-CE2 3.61Å; W147-F353 AromaticContact CZ2-CZ 3.51Å; W147-F353 HydrophobicContact CZ2-CZ 3.51Å; W147-F353 HydrophobicContact CZ3-CE2 4.37Å; W147-F353 HydrophobicContact CZ3-CZ 4.47Å; N349-F353 WeakPolarHBondContact O-CB 3.24Å; N349-F353 PolarHBondContact O-N 3.04Å; F353-N355 VanDerWaalsContact C-N 3.27Å; F353-N355 PolarHBondContact O-N 2.98Å; F353-Q356 PolarHBondContact O-N 3.48Å; F353-L357 HydrophobicContact CD1-CD1 3.96Å; F353-L357 HydrophobicContact CE1-CD1 3.55Å; F353-L357 HydrophobicContact CE1-CG 4.37Å; F353-L357 HydrophobicContact CZ-CD1 3.88Å; F353-L357 HydrophobicContact CZ-CG 4.31Å; F353-L357 WeakPolarHBondContact O-CG 3.42Å; F353-L357 PolarHBondContact O-N 3.02Å; F353-L383 HydrophobicContact CD1-CD1 4.32Å; F353-L383 HydrophobicContact CE1-CD1 4.11Å |
| 354 | K | 61 | Low | 57.9 | Low | 53 Ų | 53 | 84.7 Ų | 84.7 | 23% | 0.23 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.2 | -30.8 | 174.6 | -171.9 | 163.7 | 178.6 | 169.8 | 0 | 112.8 | L350 I351 K352 K358 L383 | L350-K354 WeakPolarHBondContact O-CB 3.43Å; L350-K354 PolarHBondContact O-N 3.04Å; I351-K354 PolarHBondContact O-N 3.33Å; K352-K354 PolarHBondContact O-N 3.29Å; K354-K358 WeakPolarHBondContact O-CB 3.33Å; K354-K358 PolarHBondContact O-N 3.33Å; K354-L383 PolarHBondContact NZ-O 3.1Å |
| 355 | N | 63.5 | Low | 59.2 | Low | 83 Ų | 83 | 81.9 Ų | 81.9 | 44% | 0.444 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -76.3 | -36.8 | 172.7 | -75 | -26.7 | 0 | 0 | 0 | 113.1 | I351 K352 F353 K358 Q359 | I351-N355 WeakPolarHBondContact O-CB 3.47Å; I351-N355 PolarHBondContact O-N 2.83Å; I351-N355 PolarHBondContact O-ND2 3.48Å; K352-N355 CarbonylContact O-C 3.59Å; K352-N355 WeakPolarHBondContact O-CA 3.32Å; K352-N355 WeakPolarHBondContact O-CB 3.36Å; K352-N355 PolarHBondContact O-N 2.83Å; K352-N355 VanDerWaalsContact O-N 3.08Å; F353-N355 VanDerWaalsContact C-N 3.27Å; F353-N355 PolarHBondContact O-N 2.98Å; N355-K358 VanDerWaalsContact O-CB 3.31Å; N355-K358 WeakPolarHBondContact O-CB 3.39Å; N355-K358 PolarHBondContact O-N 3.4Å; N355-Q359 WeakPolarHBondContact O-CG 3.25Å; N355-Q359 PolarHBondContact O-N 3.44Å |
| 356 | Q | 65.8 | Low | 59.7 | Low | 42 Ų | 42 | 77.9 Ų | 77.9 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 171.6 | -73.6 | 166.1 | -42.3 | 0 | 0 | 110.8 | F144 K352 F353 K358 Q359 C360 | F144-Q356 HydrophobicContact CE2-CB 4.17Å; K352-Q356 PolarHBondContact O-N 2.82Å; F353-Q356 PolarHBondContact O-N 3.48Å; Q356-K358 VanDerWaalsContact C-N 3.26Å; Q356-K358 PolarHBondContact O-N 3.2Å; Q356-Q359 PolarHBondContact O-N 2.89Å; Q356-C360 WeakPolarHBondContact O-CB 3.41Å; Q356-C360 PolarHBondContact O-N 3.08Å |
| 357 | L | 63.7 | Low | 60.1 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.9 | -35.5 | 171.7 | -74 | 173 | 0 | 0 | 0 | 112.4 | F353 K361 C376 F379 F380 L383 | F353-L357 HydrophobicContact CD1-CD1 3.96Å; F353-L357 HydrophobicContact CE1-CD1 3.55Å; F353-L357 HydrophobicContact CE1-CG 4.37Å; F353-L357 HydrophobicContact CZ-CD1 3.88Å; F353-L357 HydrophobicContact CZ-CG 4.31Å; F353-L357 WeakPolarHBondContact O-CG 3.42Å; F353-L357 PolarHBondContact O-N 3.02Å; L357-K361 WeakPolarHBondContact O-CB 3.11Å; L357-K361 PolarHBondContact O-N 3.32Å; L357-C376 HydrophobicContact CD2-CB 4.43Å; L357-F379 HydrophobicContact CD1-CB 3.96Å; L357-F379 HydrophobicContact CD2-CB 3.92Å; L357-F380 HydrophobicContact CB-CB 4.4Å; L357-F380 HydrophobicContact CB-CD2 4.19Å; L357-L383 HydrophobicContact CD1-CD1 3.76Å |
| 358 | K | 66.3 | Low | 60.7 | Low | 90 Ų | 90 | 73.9 Ų | 73.9 | 39% | 0.391 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 173.2 | -166.8 | 178.9 | 167 | -176.8 | 0 | 112.1 | K354 N355 Q356 C360 K361 E362 F380 | K354-K358 WeakPolarHBondContact O-CB 3.33Å; K354-K358 PolarHBondContact O-N 3.33Å; N355-K358 VanDerWaalsContact O-CB 3.31Å; N355-K358 WeakPolarHBondContact O-CB 3.39Å; N355-K358 PolarHBondContact O-N 3.4Å; Q356-K358 VanDerWaalsContact C-N 3.26Å; Q356-K358 PolarHBondContact O-N 3.2Å; K358-C360 VanDerWaalsContact C-N 3.34Å; K358-K361 PolarHBondContact O-N 3.44Å; K358-E362 WeakPolarHBondContact CE-OE1 3.41Å; K358-E362 IonicContact NZ-OE1 2.61Å; K358-E362 WeakPolarHBondContact O-CB 3.43Å; K358-E362 WeakPolarHBondContact O-CG 3.28Å; K358-E362 PolarHBondContact O-N 3.1Å; K358-F380 HydrophobicContact CB-CD2 4.26Å; K358-F380 HydrophobicContact CB-CE2 3.64Å; K358-F380 HydrophobicContact CB-CZ 4.4Å; K358-F380 HydrophobicContact CD-CE2 4.48Å; K358-F380 HydrophobicContact CG-CE2 3.9Å; K358-F380 HydrophobicContact CG-CZ 4.16Å |
| 359 | Q | 69.4 | Low | 61.4 | Low | 82 Ų | 82 | 73.6 Ų | 73.6 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 177.7 | -73.3 | 167.1 | -34.5 | 0 | 0 | 111.9 | N355 Q356 E362 N363 K364 F365 | N355-Q359 WeakPolarHBondContact O-CG 3.25Å; N355-Q359 PolarHBondContact O-N 3.44Å; Q356-Q359 PolarHBondContact O-N 2.89Å; Q359-E362 CarbonylContact O-C 3.6Å; Q359-E362 PolarHBondContact O-N 3.25Å; Q359-N363 PolarHBondContact O-N 3.11Å; Q359-K364 HydrophobicContact CB-CB 4.37Å; Q359-K364 PolarHBondContact O-N 3.36Å; Q359-F365 HydrophobicContact CB-CD2 4.18Å; Q359-F365 HydrophobicContact CB-CE2 3.41Å; Q359-F365 VanDerWaalsContact CB-CE2 3.41Å; Q359-F365 HydrophobicContact CB-CZ 3.64Å; Q359-F365 HydrophobicContact CG-CZ 4.49Å |
| 360 | C | 68.7 | Low | 62 | Low | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 171.8 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | F144 Q356 K358 E362 N363 F365 C376 | F144-C360 HydrophobicContact CZ-CB 4.39Å; Q356-C360 WeakPolarHBondContact O-CB 3.41Å; Q356-C360 PolarHBondContact O-N 3.08Å; K358-C360 VanDerWaalsContact C-N 3.34Å; C360-E362 VanDerWaalsContact C-N 3.32Å; C360-E362 PolarHBondContact O-N 3.38Å; C360-N363 PolarHBondContact O-N 2.86Å; C360-F365 HydrophobicContact CB-CD2 4.25Å; C360-F365 HydrophobicContact CB-CE2 4.3Å; C360-C376 HydrophobicContact CB-CB 3.66Å; C360-C376 WeakPolarHBondContact CB-SG 3.39Å; C360-C376 WeakPolarHBondContact SG-CB 3.46Å; C360-C376 CovalentContact SG-SG 2.03Å; C360-C376 PolarHBondContact SG-SG 2.87Å |
| 361 | K | 68.1 | Low | 62.5 | Low | 65 Ų | 65 | 79 Ų | 79 | 28% | 0.283 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 174.6 | 179.8 | 167.5 | 177.5 | 154.7 | 0 | 112.9 | L357 K358 N363 Q373 N377 F380 N381 | L357-K361 WeakPolarHBondContact O-CB 3.11Å; L357-K361 PolarHBondContact O-N 3.32Å; K358-K361 PolarHBondContact O-N 3.44Å; K361-N363 VanDerWaalsContact C-N 3.31Å; K361-N363 PolarHBondContact O-N 3.31Å; K361-Q373 PolarHBondContact O-NE2 2.88Å; K361-N377 VanDerWaalsContact CE-OD1 3.28Å; K361-N377 WeakPolarHBondContact CE-OD1 3.5Å; K361-N377 PolarHBondContact NZ-OD1 3.21Å; K361-F380 HydrophobicContact CD-CB 4.22Å; K361-F380 HydrophobicContact CD-CD1 3.48Å; K361-F380 VanDerWaalsContact CD-CD1 3.48Å; K361-F380 HydrophobicContact CD-CE1 3.89Å; K361-F380 HydrophobicContact CD-CG 3.88Å; K361-N381 PolarHBondContact NZ-OD1 2.91Å |
| 362 | E | 69.1 | Low | 62.8 | Low | 86 Ų | 86 | 76 Ų | 76 | 40% | 0.402 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 9.5 | 178.7 | -69.6 | 177.1 | -174.6 | 0 | 0 | 114.1 | K358 Q359 C360 K364 | K358-E362 WeakPolarHBondContact CE-OE1 3.41Å; K358-E362 IonicContact NZ-OE1 2.61Å; K358-E362 WeakPolarHBondContact O-CB 3.43Å; K358-E362 WeakPolarHBondContact O-CG 3.28Å; K358-E362 PolarHBondContact O-N 3.1Å; Q359-E362 CarbonylContact O-C 3.6Å; Q359-E362 PolarHBondContact O-N 3.25Å; C360-E362 VanDerWaalsContact C-N 3.32Å; C360-E362 PolarHBondContact O-N 3.38Å; E362-K364 HydrophobicContact CB-CD 4.14Å; E362-K364 HydrophobicContact CB-CG 4.26Å; E362-K364 PolarHBondContact O-N 3.25Å; E362-K364 WeakPolarHBondContact OE2-CE 3.45Å; E362-K364 IonicContact OE2-NZ 3.92Å; E362-K364 PolarHBondContact OE2-NZ 3.2Å |
| 363 | N | 62.4 | Low | 63.4 | Low | 70 Ų | 70 | 72.8 Ų | 72.8 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 31.2 | -177.9 | -87.7 | 1.8 | 0 | 0 | 0 | 115.3 | Q359 C360 K361 F365 Q373 | Q359-N363 PolarHBondContact O-N 3.11Å; C360-N363 PolarHBondContact O-N 2.86Å; K361-N363 VanDerWaalsContact C-N 3.31Å; K361-N363 PolarHBondContact O-N 3.31Å; N363-F365 VanDerWaalsContact C-N 3.3Å; N363-F365 PolarHBondContact O-N 3.33Å; N363-Q373 VanDerWaalsContact CG-NE2 3.33Å; N363-Q373 PolarHBondContact ND2-NE2 2.67Å; N363-Q373 PolarHBondContact ND2-OE1 2.99Å; N363-Q373 PolarHBondContact OD1-NE2 3.42Å; N363-Q373 VanDerWaalsContact OD1-NE2 3.1Å |
| 364 | K | 60.8 | Low | 63.5 | Low | 139 Ų | 139 | 75.7 Ų | 75.7 | 60% | 0.604 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -2.7 | -178 | -75.5 | 173.6 | 175.3 | 166.6 | 0 | 115 | Q359 E362 | Q359-K364 HydrophobicContact CB-CB 4.37Å; Q359-K364 PolarHBondContact O-N 3.36Å; E362-K364 HydrophobicContact CB-CD 4.14Å; E362-K364 HydrophobicContact CB-CG 4.26Å; E362-K364 PolarHBondContact O-N 3.25Å; E362-K364 WeakPolarHBondContact OE2-CE 3.45Å; E362-K364 IonicContact OE2-NZ 3.92Å; E362-K364 PolarHBondContact OE2-NZ 3.2Å |
| 365 | F | 61.3 | Low | 63.6 | Low | 84 Ų | 84 | 74.1 Ų | 74.1 | 37% | 0.368 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 11.5 | 177.7 | -62.8 | -65.3 | 0 | 0 | 0 | 114.2 | T141 F144 Q359 C360 N363 I368 | T141-F365 HydrophobicContact CG2-CE1 4.43Å; F144-F365 HydrophobicContact CE1-CD2 4.4Å; F144-F365 HydrophobicContact CE1-CE2 4.24Å; Q359-F365 HydrophobicContact CB-CD2 4.18Å; Q359-F365 HydrophobicContact CB-CE2 3.41Å; Q359-F365 VanDerWaalsContact CB-CE2 3.41Å; Q359-F365 HydrophobicContact CB-CZ 3.64Å; Q359-F365 HydrophobicContact CG-CZ 4.49Å; C360-F365 HydrophobicContact CB-CD2 4.25Å; C360-F365 HydrophobicContact CB-CE2 4.3Å; N363-F365 VanDerWaalsContact C-N 3.3Å; N363-F365 PolarHBondContact O-N 3.33Å; F365-I368 HydrophobicContact CB-CD1 4.08Å |
| 366 | G | 56.4 | Low | 63.8 | Low | 46 Ų | 46 | 70.3 Ų | 70.3 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 96.4 | -145.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I368 | G366-I368 PolarHBondContact O-N 2.98Š|
| 367 | I | 55 | Low | 64 | Low | 180 Ų | 180 | 71 Ų | 71 | 92% | 0.923 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -78.6 | 83.9 | -174.2 | -53.4 | 177.1 | 0 | 0 | 0 | 110 | ||
| 368 | I | 60.1 | Low | 64 | Low | 27 Ų | 27 | 73.6 Ų | 73.6 | 14% | 0.138 | 37% | 0.373 | C | S | . | . | trans | -87.3 | 129.3 | 176.3 | -58.6 | 166 | 0 | 0 | 0 | 109.4 | F365 G366 I372 Q373 | F365-I368 HydrophobicContact CB-CD1 4.08Å; G366-I368 PolarHBondContact O-N 2.98Å; I368-I372 HydrophobicContact CG2-CB 3.71Å; I368-I372 HydrophobicContact CG2-CG2 3.62Å; I368-Q373 HydrophobicContact CG2-CB 4.44Å | ||
| 369 | P | 65.7 | Low | 63.9 | Low | 78 Ų | 78 | 71.4 Ų | 71.4 | 51% | 0.506 | 36% | 0.363 | S | S | . | . | trans | -58.3 | 140.4 | 171.1 | -26.1 | 34.8 | 0 | 0 | 0 | 112.8 | E371 I372 Q373 | P369-E371 PolarHBondContact O-N 3.1Å; P369-I372 HydrophobicContact CB-CD1 4.22Å; P369-I372 HydrophobicContact CG-CD1 3.99Å; P369-I372 PolarHBondContact O-N 3.35Å; P369-Q373 PolarHBondContact O-N 3.11Å; P369-Q373 VanDerWaalsContact O-N 3.16Å | ||
| 370 | N | 62.9 | Low | 63.8 | Low | 129 Ų | 129 | 68.2 Ų | 68.2 | 69% | 0.69 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -51.1 | -35.3 | -177.2 | -78.4 | -5.6 | 0 | 0 | 0 | 113.7 | I372 Q373 L374 | N370-I372 VanDerWaalsContact C-N 3.33Å; N370-I372 PolarHBondContact O-N 2.65Å; N370-Q373 PolarHBondContact O-N 3.23Å; N370-L374 WeakPolarHBondContact O-CB 3.48Å; N370-L374 PolarHBondContact O-N 2.7Å |
| 371 | E | 61.7 | Low | 63.5 | Low | 147 Ų | 147 | 69.6 Ų | 69.6 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.9 | -41.2 | 177.1 | -59.9 | -174.9 | 168.8 | 0 | 0 | 112.6 | P369 L374 L375 | P369-E371 PolarHBondContact O-N 3.1Å; E371-L374 WeakPolarHBondContact O-CB 3.37Å; E371-L374 PolarHBondContact O-N 2.93Å; E371-L375 PolarHBondContact O-N 3.04Å |
| 372 | I | 60.6 | Low | 63.3 | Low | 37 Ų | 37 | 69.7 Ų | 69.7 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -77.1 | -36.9 | -179.5 | -65.8 | 157.6 | 0 | 0 | 0 | 110.2 | I148 I368 P369 N370 L374 L375 C376 | I148-I372 HydrophobicContact CD1-CG2 4.1Å; I148-I372 HydrophobicContact CG1-CG2 4.09Å; I148-I372 HydrophobicContact CG2-CD1 3.46Å; I148-I372 VanDerWaalsContact CG2-CD1 3.46Å; I148-I372 HydrophobicContact CG2-CG1 3.93Å; I148-I372 HydrophobicContact CG2-CG2 4.24Å; I368-I372 HydrophobicContact CG2-CB 3.71Å; I368-I372 HydrophobicContact CG2-CG2 3.62Å; P369-I372 HydrophobicContact CB-CD1 4.22Å; P369-I372 HydrophobicContact CG-CD1 3.99Å; P369-I372 PolarHBondContact O-N 3.35Å; N370-I372 VanDerWaalsContact C-N 3.33Å; N370-I372 PolarHBondContact O-N 2.65Å; I372-L374 VanDerWaalsContact C-N 3.3Å; I372-L374 PolarHBondContact O-N 3.04Å; I372-L375 WeakPolarHBondContact O-CB 3.37Å; I372-L375 PolarHBondContact O-N 3.17Å; I372-L375 VanDerWaalsContact O-N 3.15Å; I372-C376 PolarHBondContact O-N 3.39Å |
| 373 | Q | 67.6 | Low | 62.8 | Low | 55 Ų | 55 | 68.3 Ų | 68.3 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 172 | -160.4 | -176.1 | 6.8 | 0 | 0 | 111.3 | K361 N363 I368 P369 N370 N377 | K361-Q373 PolarHBondContact O-NE2 2.88Å; N363-Q373 VanDerWaalsContact CG-NE2 3.33Å; N363-Q373 PolarHBondContact ND2-NE2 2.67Å; N363-Q373 PolarHBondContact ND2-OE1 2.99Å; N363-Q373 PolarHBondContact OD1-NE2 3.42Å; N363-Q373 VanDerWaalsContact OD1-NE2 3.1Å; I368-Q373 HydrophobicContact CG2-CB 4.44Å; P369-Q373 PolarHBondContact O-N 3.11Å; P369-Q373 VanDerWaalsContact O-N 3.16Å; N370-Q373 PolarHBondContact O-N 3.23Å; Q373-N377 VanDerWaalsContact O-CB 3.28Å; Q373-N377 WeakPolarHBondContact O-CB 3.42Å; Q373-N377 PolarHBondContact O-N 2.63Å |
| 374 | L | 63.9 | Low | 62.6 | Low | 96 Ų | 96 | 68.9 Ų | 68.9 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 170 | -107 | 156.8 | 0 | 0 | 0 | 112.4 | N370 E371 I372 N377 Y378 | N370-L374 WeakPolarHBondContact O-CB 3.48Å; N370-L374 PolarHBondContact O-N 2.7Å; E371-L374 WeakPolarHBondContact O-CB 3.37Å; E371-L374 PolarHBondContact O-N 2.93Å; I372-L374 VanDerWaalsContact C-N 3.3Å; I372-L374 PolarHBondContact O-N 3.04Å; L374-N377 PolarHBondContact O-N 2.77Å; L374-Y378 WeakPolarHBondContact O-CB 3.48Å; L374-Y378 PolarHBondContact O-N 3.29Å |
| 375 | L | 62.3 | Low | 62.2 | Low | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 177.1 | -154.2 | 99.5 | 0 | 0 | 0 | 111.4 | T155 E371 I372 N377 Y378 F379 | T155-L375 HydrophobicContact CG2-CD1 3.8Å; E371-L375 PolarHBondContact O-N 3.04Å; I372-L375 WeakPolarHBondContact O-CB 3.37Å; I372-L375 PolarHBondContact O-N 3.17Å; I372-L375 VanDerWaalsContact O-N 3.15Å; L375-N377 VanDerWaalsContact C-N 3.35Å; L375-N377 PolarHBondContact O-N 2.55Å; L375-Y378 WeakPolarHBondContact O-CB 3.42Å; L375-Y378 PolarHBondContact O-N 3.32Å; L375-F379 HydrophobicContact CD2-CD2 4.25Å; L375-F379 HydrophobicContact CD2-CE2 4.02Å; L375-F379 HydrophobicContact CG-CD2 4.14Å; L375-F379 HydrophobicContact CG-CE2 4.01Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 2.8Å |
| 376 | C | 68.2 | Low | 61.6 | Low | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.027 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 174.8 | -73.3 | 0 | 0 | 0 | 0 | 112 | L357 C360 I372 F380 | L357-C376 HydrophobicContact CD2-CB 4.43Å; C360-C376 HydrophobicContact CB-CB 3.66Å; C360-C376 WeakPolarHBondContact CB-SG 3.39Å; C360-C376 WeakPolarHBondContact SG-CB 3.46Å; C360-C376 CovalentContact SG-SG 2.03Å; C360-C376 PolarHBondContact SG-SG 2.87Å; I372-C376 PolarHBondContact O-N 3.39Å; C376-F380 WeakPolarHBondContact O-CB 3.43Å; C376-F380 PolarHBondContact O-N 2.94Å |
| 377 | N | 69.1 | Low | 60.9 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.3 | -170.7 | 26.5 | 0 | 0 | 0 | 111.6 | K361 Q373 L374 L375 N381 | K361-N377 VanDerWaalsContact CE-OD1 3.28Å; K361-N377 WeakPolarHBondContact CE-OD1 3.5Å; K361-N377 PolarHBondContact NZ-OD1 3.21Å; Q373-N377 VanDerWaalsContact O-CB 3.28Å; Q373-N377 WeakPolarHBondContact O-CB 3.42Å; Q373-N377 PolarHBondContact O-N 2.63Å; L374-N377 PolarHBondContact O-N 2.77Å; L375-N377 VanDerWaalsContact C-N 3.35Å; L375-N377 PolarHBondContact O-N 2.55Å; N377-N381 VanDerWaalsContact O-CB 3.28Å; N377-N381 WeakPolarHBondContact O-CB 3.22Å; N377-N381 PolarHBondContact O-N 2.77Å; N377-N381 PolarHBondContact O-ND2 2.71Å; N377-N381 PolarHBondContact O-OD1 2.84Å; N377-N381 PolarHBondContact OD1-ND2 2.81Å; N377-N381 VanDerWaalsContact OD1-ND2 3.1Å; N377-N381 PolarHBondContact OD1-OD1 2.68Å |
| 378 | Y | 63.7 | Low | 59.9 | Low | 55 Ų | 55 | 74.6 Ų | 74.6 | 22% | 0.216 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.2 | -54.3 | 175.1 | 175.7 | -92.7 | 0 | 0 | 0 | 111.9 | L374 L375 F380 N381 F382 | L374-Y378 WeakPolarHBondContact O-CB 3.48Å; L374-Y378 PolarHBondContact O-N 3.29Å; L375-Y378 WeakPolarHBondContact O-CB 3.42Å; L375-Y378 PolarHBondContact O-N 3.32Å; Y378-F380 PolarHBondContact O-N 3.4Å; Y378-N381 PolarHBondContact O-N 3.44Å; Y378-F382 WeakPolarHBondContact O-CB 3.17Å; Y378-F382 PolarHBondContact O-N 3.29Å |
| 379 | F | 65 | Low | 58.7 | Low | 43 Ų | 43 | 82.6 Ų | 82.6 | 19% | 0.189 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.1 | -39 | 179.6 | -81.8 | -68.8 | 0 | 0 | 0 | 112.8 | L154 L357 L375 F382 L383 | L154-F379 HydrophobicContact CD1-CE2 4.12Å; L154-F379 HydrophobicContact CD1-CZ 3.86Å; L357-F379 HydrophobicContact CD1-CB 3.96Å; L357-F379 HydrophobicContact CD2-CB 3.92Å; L375-F379 HydrophobicContact CD2-CD2 4.25Å; L375-F379 HydrophobicContact CD2-CE2 4.02Å; L375-F379 HydrophobicContact CG-CD2 4.14Å; L375-F379 HydrophobicContact CG-CE2 4.01Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 2.8Å; F379-F382 PolarHBondContact O-N 2.97Å; F379-L383 WeakPolarHBondContact O-CG 3.41Å; F379-L383 PolarHBondContact O-N 2.86Å |
| 380 | F | 67.4 | Low | 57 | Low | 15 Ų | 15 | 88.8 Ų | 88.8 | 7% | 0.066 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.1 | -174.6 | -94 | 0 | 0 | 0 | 112 | L357 K358 K361 C376 Y378 L383 Q384 | L357-F380 HydrophobicContact CB-CB 4.4Å; L357-F380 HydrophobicContact CB-CD2 4.19Å; K358-F380 HydrophobicContact CB-CD2 4.26Å; K358-F380 HydrophobicContact CB-CE2 3.64Å; K358-F380 HydrophobicContact CB-CZ 4.4Å; K358-F380 HydrophobicContact CD-CE2 4.48Å; K358-F380 HydrophobicContact CG-CE2 3.9Å; K358-F380 HydrophobicContact CG-CZ 4.16Å; K361-F380 HydrophobicContact CD-CB 4.22Å; K361-F380 HydrophobicContact CD-CD1 3.48Å; K361-F380 VanDerWaalsContact CD-CD1 3.48Å; K361-F380 HydrophobicContact CD-CE1 3.89Å; K361-F380 HydrophobicContact CD-CG 3.88Å; C376-F380 WeakPolarHBondContact O-CB 3.43Å; C376-F380 PolarHBondContact O-N 2.94Å; Y378-F380 PolarHBondContact O-N 3.4Å; F380-L383 CarbonylContact O-C 3.58Å; F380-L383 PolarHBondContact O-N 3.35Å; F380-Q384 HydrophobicContact CE1-CB 4.46Å; F380-Q384 HydrophobicContact CE1-CG 4.36Å; F380-Q384 VanDerWaalsContact CZ-NE2 3.28Å; F380-Q384 WeakPolarHBondContact O-CB 3.26Å; F380-Q384 PolarHBondContact O-N 3.29Å |
| 381 | N | 62.6 | Low | 55.6 | Low | 31 Ų | 31 | 90 Ų | 90 | 17% | 0.166 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 179.2 | -65.3 | -13.3 | 0 | 0 | 0 | 112 | K361 N377 Y378 L383 Q384 Y401 | K361-N381 PolarHBondContact NZ-OD1 2.91Å; N377-N381 VanDerWaalsContact O-CB 3.28Å; N377-N381 WeakPolarHBondContact O-CB 3.22Å; N377-N381 PolarHBondContact O-N 2.77Å; N377-N381 PolarHBondContact O-ND2 2.71Å; N377-N381 PolarHBondContact O-OD1 2.84Å; N377-N381 PolarHBondContact OD1-ND2 2.81Å; N377-N381 VanDerWaalsContact OD1-ND2 3.1Å; N377-N381 PolarHBondContact OD1-OD1 2.68Å; Y378-N381 PolarHBondContact O-N 3.44Å; N381-L383 PolarHBondContact O-N 2.97Å; N381-Q384 PolarHBondContact O-N 2.88Å; N381-Y401 HydrophobicContact CB-CE1 4.19Å |
| 382 | F | 62.7 | Low | 54.3 | Low | 66 Ų | 66 | 90 Ų | 90 | 29% | 0.289 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.6 | -31.9 | 172.2 | -174.7 | -99 | 0 | 0 | 0 | 112.3 | Y378 F379 F402 W404 | Y378-F382 WeakPolarHBondContact O-CB 3.17Å; Y378-F382 PolarHBondContact O-N 3.29Å; F379-F382 PolarHBondContact O-N 2.97Å; F382-F402 HydrophobicContact CE2-CD1 4.29Å; F382-W404 HydrophobicContact CE2-CB 4.12Å; F382-W404 HydrophobicContact CZ-CB 3.94Å |
| 383 | L | 60.5 | Low | 53 | Low | 57 Ų | 57 | 95.3 Ų | 95.3 | 30% | 0.298 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 2.3 | 179.9 | -66.8 | 172.2 | 0 | 0 | 0 | 115.2 | F353 K354 L357 F379 F380 N381 | F353-L383 HydrophobicContact CD1-CD1 4.32Å; F353-L383 HydrophobicContact CE1-CD1 4.11Å; K354-L383 PolarHBondContact NZ-O 3.1Å; L357-L383 HydrophobicContact CD1-CD1 3.76Å; F379-L383 WeakPolarHBondContact O-CG 3.41Å; F379-L383 PolarHBondContact O-N 2.86Å; F380-L383 CarbonylContact O-C 3.58Å; F380-L383 PolarHBondContact O-N 3.35Å; N381-L383 PolarHBondContact O-N 2.97Å |
| 384 | Q | 56.9 | Low | 51.3 | Low | 82 Ų | 82 | 99.6 Ų | 99.6 | 38% | 0.383 | 50% | 0.495 | S | S | . | . | trans | -137.5 | 19.8 | -167.4 | -170.3 | 149.3 | -48.7 | 0 | 0 | 116.6 | F380 N381 N386 | F380-Q384 HydrophobicContact CE1-CB 4.46Å; F380-Q384 HydrophobicContact CE1-CG 4.36Å; F380-Q384 VanDerWaalsContact CZ-NE2 3.28Å; F380-Q384 WeakPolarHBondContact O-CB 3.26Å; F380-Q384 PolarHBondContact O-N 3.29Å; N381-Q384 PolarHBondContact O-N 2.88Å; Q384-N386 PolarHBondContact O-N 3.22Å | ||
| 385 | Q | 53.4 | Low | 49.7 | Very low | 123 Ų | 123 | 102.9 Ų | 102.9 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | trans | -71.2 | 90.7 | 175 | -71.7 | -168.8 | -16.5 | 0 | 0 | 113 | ||||
| 386 | N | 48.4 | Very low | 48.3 | Very low | 140 Ų | 140 | 110.1 Ų | 110.1 | 75% | 0.749 | 55% | 0.55 | S | S | * | * | trans | -72.2 | 128 | 170 | -84.6 | 5.8 | 0 | 0 | 0 | 111.3 | Q384 N388 | Q384-N386 PolarHBondContact O-N 3.22Å; N386-N388 PolarHBondContact O-N 2.95Å | ||
| 387 | N | 42.2 | Very low | 46.6 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 79% | 0.791 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -64 | 102.5 | 160.2 | -70.9 | -17.3 | 0 | 0 | 0 | 109.3 | ||
| 388 | N | 34.2 | Very low | 44.9 | Very low | 159 Ų | 159 | 120.5 Ų | 120.5 | 85% | 0.85 | 61% | 0.606 | S | S | * | * | trans | 158.6 | 85.2 | 145.9 | -83.1 | -26.9 | 0 | 0 | 0 | 112.5 | N386 | N386-N388 PolarHBondContact O-N 2.95Š| ||
| 389 | K | 33.5 | Very low | 43.6 | Very low | 195 Ų | 195 | 124 Ų | 124 | 85% | 0.848 | 63% | 0.628 | S | S | * | * | trans | -160.3 | 109.9 | 150.1 | -115.1 | 168.9 | -174.7 | -180 | 0 | 110.3 | I391 | K389-I391 PolarHBondContact O-N 3.34Š| ||
| 390 | K | 30.1 | Very low | 42.6 | Very low | 208 Ų | 208 | 127.1 Ų | 127.1 | 90% | 0.904 | 65% | 0.646 | S | S | * | * | trans | -68.4 | 125.9 | 166.3 | -67.1 | 178.1 | 177.9 | 178.8 | 0 | 107.7 | ||||
| 391 | I | 33.8 | Very low | 41.8 | Very low | 153 Ų | 153 | 134 Ų | 134 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -121 | 127.5 | 170.5 | -63.6 | 179.4 | 0 | 0 | 0 | 106.5 | K389 | K389-I391 PolarHBondContact O-N 3.34Š| ||
| 392 | N | 34.4 | Very low | 41.3 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | trans | -82.2 | 167.9 | -173.6 | -74.1 | -13.8 | 0 | 0 | 0 | 112.3 | ||||
| 393 | N | 32.4 | Very low | 41.1 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -54.2 | 166 | -171.9 | -55.6 | -13.5 | 0 | 0 | 0 | 115.8 | ||
| 394 | N | 32.5 | Very low | 41.2 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 78 | 65.6 | 165.2 | -54.2 | -5.7 | 0 | 0 | 0 | 116.7 | ||
| 395 | N | 30.6 | Very low | 41.4 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | trans | 173.9 | 96.2 | 131.8 | -88.3 | -21.3 | 0 | 0 | 0 | 109.6 | ||||
| 396 | I | 32.9 | Very low | 41.8 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 88% | 0.877 | 66% | 0.662 | S | S | * | * | trans | -111.6 | 86.6 | -179.3 | -54.9 | 178.2 | 0 | 0 | 0 | 109.3 | ||||
| 397 | N | 32.9 | Very low | 42.4 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 78% | 0.775 | 64% | 0.641 | S | S | * | * | trans | -104.1 | 122 | 165.6 | -83.5 | -10.2 | 0 | 0 | 0 | 109.5 | ||||
| 398 | N | 33.6 | Very low | 43.5 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | trans | 61.6 | 118.2 | 147.4 | -56.3 | -7 | 0 | 0 | 0 | 120.5 | ||||
| 399 | N | 35.3 | Very low | 44.9 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 68% | 0.679 | 59% | 0.585 | S | S | * | * | trans | 86.4 | 152.3 | 139.3 | -54.3 | -1.6 | 0 | 0 | 0 | 122 | ||||
| 400 | D | 43.4 | Very low | 46.1 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | trans | 77.7 | 43.6 | 146.5 | -61.1 | -24 | 0 | 0 | 0 | 123.5 | ||||
| 401 | Y | 51.1 | Low | 47.8 | Very low | 160 Ų | 160 | 104.4 Ų | 104.4 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | trans | -135.1 | 103.1 | 161.9 | -65 | -77.1 | 0 | 0 | 0 | 115.4 | N381 | N381-Y401 HydrophobicContact CB-CE1 4.19Š| ||
| 402 | F | 53.1 | Low | 49.4 | Very low | 49 Ų | 49 | 98 Ų | 98 | 22% | 0.215 | 50% | 0.498 | C | S | . | . | trans | -90.5 | 133 | 171.2 | -178.3 | -113.3 | 0 | 0 | 0 | 110.2 | F382 I407 | F382-F402 HydrophobicContact CE2-CD1 4.29Å; F402-I407 HydrophobicContact CE1-CD1 3.6Å; F402-I407 HydrophobicContact CE1-CG1 4.41Å; F402-I407 HydrophobicContact CZ-CD1 3.66Å; F402-I407 HydrophobicContact CZ-CG1 4.06Å | ||
| 403 | N | 57.4 | Low | 50.9 | Low | 64 Ų | 64 | 94.8 Ų | 94.8 | 34% | 0.342 | 48% | 0.477 | S | S | . | . | trans | -118.7 | 120.7 | -165 | -176.9 | -10 | 0 | 0 | 0 | 112.7 | K405 L406 | N403-K405 VanDerWaalsContact C-N 3.28Å; N403-K405 PolarHBondContact O-N 3.45Å; N403-K405 PolarHBondContact OD1-N 2.67Å; N403-L406 HydrophobicContact CB-CB 4.46Å; N403-L406 VanDerWaalsContact O-CB 3.3Å; N403-L406 WeakPolarHBondContact O-CB 3.28Å; N403-L406 PolarHBondContact O-N 3.18Å; N403-L406 VanDerWaalsContact O-N 3.1Å | ||
| 404 | W | 63.2 | Low | 52.5 | Low | 49 Ų | 49 | 91.3 Ų | 91.3 | 19% | 0.186 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62 | -29.8 | -178.4 | 68.3 | -103.2 | 0 | 0 | 0 | 114.1 | L335 L336 F382 L406 I407 I408 | L335-W404 HydrophobicContact CB-CD2 4.46Å; L335-W404 HydrophobicContact CB-CE3 4.3Å; L335-W404 HydrophobicContact CB-CH2 4.15Å; L335-W404 HydrophobicContact CB-CZ2 4.28Å; L335-W404 HydrophobicContact CB-CZ3 4.15Å; L335-W404 HydrophobicContact CD1-CD2 4.16Å; L335-W404 HydrophobicContact CD1-CE3 3.73Å; L335-W404 HydrophobicContact CD1-CZ3 4.16Å; L336-W404 HydrophobicContact CD1-CH2 4.24Å; L336-W404 HydrophobicContact CD2-CH2 3.66Å; L336-W404 HydrophobicContact CD2-CZ2 3.92Å; L336-W404 HydrophobicContact CG-CH2 3.7Å; L336-W404 HydrophobicContact CG-CZ2 4.28Å; F382-W404 HydrophobicContact CE2-CB 4.12Å; F382-W404 HydrophobicContact CZ-CB 3.94Å; W404-L406 PolarHBondContact O-N 2.93Å; W404-I407 WeakPolarHBondContact O-CB 3.28Å; W404-I407 PolarHBondContact O-N 3.2Å; W404-I408 HydrophobicContact CE3-CD1 3.96Å; W404-I408 HydrophobicContact CZ3-CD1 4.01Å; W404-I408 PolarHBondContact O-N 3.01Å |
| 405 | K | 61.5 | Low | 54.4 | Low | 103 Ų | 103 | 86 Ų | 86 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.7 | -33.1 | 176.3 | -71.9 | -174.5 | 175.1 | -176.6 | 0 | 112.1 | N403 I407 N409 | N403-K405 VanDerWaalsContact C-N 3.28Å; N403-K405 PolarHBondContact O-N 3.45Å; N403-K405 PolarHBondContact OD1-N 2.67Å; K405-I407 VanDerWaalsContact C-N 3.33Å; K405-N409 VanDerWaalsContact O-CG 3.27Å; K405-N409 PolarHBondContact O-N 3.05Å; K405-N409 PolarHBondContact O-OD1 2.79Å |
| 406 | L | 60.3 | Low | 56.1 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 29% | 0.293 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 178.3 | -164.8 | 117.9 | 0 | 0 | 0 | 110.8 | I168 N403 W404 I410 | I168-L406 HydrophobicContact CG2-CD2 4.06Å; N403-L406 HydrophobicContact CB-CB 4.46Å; N403-L406 VanDerWaalsContact O-CB 3.3Å; N403-L406 WeakPolarHBondContact O-CB 3.28Å; N403-L406 PolarHBondContact O-N 3.18Å; N403-L406 VanDerWaalsContact O-N 3.1Å; W404-L406 PolarHBondContact O-N 2.93Å; L406-I410 HydrophobicContact CD2-CD1 3.69Å; L406-I410 HydrophobicContact CG-CD1 4.19Å; L406-I410 WeakPolarHBondContact O-CD1 3.15Å; L406-I410 VanDerWaalsContact O-CG1 3.24Å; L406-I410 WeakPolarHBondContact O-CG1 3.14Å; L406-I410 PolarHBondContact O-N 3.31Å; L406-I410 VanDerWaalsContact O-N 3.08Å |
| 407 | I | 61.6 | Low | 57.8 | Low | 59 Ų | 59 | 76.8 Ų | 76.8 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 178.6 | -50.9 | 174.3 | 0 | 0 | 0 | 110.9 | F402 W404 K405 N409 I410 I411 | F402-I407 HydrophobicContact CE1-CD1 3.6Å; F402-I407 HydrophobicContact CE1-CG1 4.41Å; F402-I407 HydrophobicContact CZ-CD1 3.66Å; F402-I407 HydrophobicContact CZ-CG1 4.06Å; W404-I407 WeakPolarHBondContact O-CB 3.28Å; W404-I407 PolarHBondContact O-N 3.2Å; K405-I407 VanDerWaalsContact C-N 3.33Å; I407-N409 PolarHBondContact O-N 2.9Å; I407-I410 PolarHBondContact O-N 3.32Å; I407-I411 HydrophobicContact CG2-CD1 3.94Å; I407-I411 WeakPolarHBondContact O-CG1 3.35Å; I407-I411 PolarHBondContact O-N 3.48Å |
| 408 | I | 65.8 | Low | 59.7 | Low | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | -179 | -64.8 | -177.5 | 0 | 0 | 0 | 110.9 | L332 L335 W404 I410 I411 D412 | L332-I408 HydrophobicContact CD1-CD1 4.24Å; L332-I408 HydrophobicContact CD1-CG2 4.07Å; L335-I408 HydrophobicContact CD1-CD1 3.89Å; W404-I408 HydrophobicContact CE3-CD1 3.96Å; W404-I408 HydrophobicContact CZ3-CD1 4.01Å; W404-I408 PolarHBondContact O-N 3.01Å; I408-I410 VanDerWaalsContact C-N 3.27Å; I408-I410 PolarHBondContact O-N 3.3Å; I408-I411 PolarHBondContact O-N 3.17Å; I408-D412 WeakPolarHBondContact O-CB 3.37Å; I408-D412 PolarHBondContact O-N 2.8Å |
| 409 | N | 62.8 | Low | 61.6 | Low | 73 Ų | 73 | 71.3 Ų | 71.3 | 39% | 0.39 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -33.6 | 176.6 | -70.2 | -0.3 | 0 | 0 | 0 | 112.7 | K405 I407 F413 | K405-N409 VanDerWaalsContact O-CG 3.27Å; K405-N409 PolarHBondContact O-N 3.05Å; K405-N409 PolarHBondContact O-OD1 2.79Å; I407-N409 PolarHBondContact O-N 2.9Å; N409-F413 WeakPolarHBondContact O-CB 3.49Å; N409-F413 PolarHBondContact O-N 2.91Å; N409-F413 VanDerWaalsContact O-N 3.13Å |
| 410 | I | 59.6 | Low | 63.3 | Low | 57 Ų | 57 | 65.8 Ų | 65.8 | 29% | 0.292 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.8 | -44.3 | 174.3 | -72.3 | 166.4 | 0 | 0 | 0 | 111.2 | I168 L406 I407 I408 F413 F414 | I168-I410 HydrophobicContact CD1-CD1 4.07Å; L406-I410 HydrophobicContact CD2-CD1 3.69Å; L406-I410 HydrophobicContact CG-CD1 4.19Å; L406-I410 WeakPolarHBondContact O-CD1 3.15Å; L406-I410 VanDerWaalsContact O-CG1 3.24Å; L406-I410 WeakPolarHBondContact O-CG1 3.14Å; L406-I410 PolarHBondContact O-N 3.31Å; L406-I410 VanDerWaalsContact O-N 3.08Å; I407-I410 PolarHBondContact O-N 3.32Å; I408-I410 VanDerWaalsContact C-N 3.27Å; I408-I410 PolarHBondContact O-N 3.3Å; I410-F413 PolarHBondContact O-N 2.79Å; I410-F414 HydrophobicContact CG2-CD2 3.79Å; I410-F414 HydrophobicContact CG2-CE2 3.77Å; I410-F414 WeakPolarHBondContact O-CD2 3.41Å; I410-F414 PolarHBondContact O-N 2.71Å |
| 411 | I | 66.1 | Low | 64.8 | Low | 64 Ų | 64 | 62.4 Ų | 62.4 | 33% | 0.328 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 178.2 | -65.6 | 168.2 | 0 | 0 | 0 | 110.4 | Y323 I407 I408 F413 F414 I415 | Y323-I411 HydrophobicContact CE2-CG2 4.09Å; Y323-I411 WeakPolarHBondContact OH-CG2 3.14Å; I407-I411 HydrophobicContact CG2-CD1 3.94Å; I407-I411 WeakPolarHBondContact O-CG1 3.35Å; I407-I411 PolarHBondContact O-N 3.48Å; I408-I411 PolarHBondContact O-N 3.17Å; I411-F413 VanDerWaalsContact C-N 3.32Å; I411-F413 PolarHBondContact O-N 2.92Å; I411-F414 PolarHBondContact O-N 3.07Å; I411-I415 HydrophobicContact CG2-CD1 3.63Å; I411-I415 HydrophobicContact CG2-CG1 4.36Å; I411-I415 WeakPolarHBondContact O-CG1 3.43Å; I411-I415 PolarHBondContact O-N 3.03Å |
| 412 | D | 67.1 | Low | 66 | Low | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 175.2 | -75 | -14.1 | 0 | 0 | 0 | 111.9 | Y323 R328 I408 I415 N416 | Y323-D412 PolarHBondContact OH-OD1 3.22Å; R328-D412 VanDerWaalsContact CD-OD1 3.26Å; R328-D412 WeakPolarHBondContact CD-OD1 3.47Å; R328-D412 IonicContact CZ-OD1 3.61Å; R328-D412 IonicContact CZ-OD2 2.72Å; R328-D412 IonicContact NE-OD1 2.72Å; R328-D412 PolarHBondContact NE-OD1 3.06Å; R328-D412 IonicContact NE-OD2 2.65Å; R328-D412 PolarHBondContact NE-OD2 3.16Å; R328-D412 IonicContact NH2-OD2 3.69Å; R328-D412 PolarHBondContact NH2-OD2 3.29Å; I408-D412 WeakPolarHBondContact O-CB 3.37Å; I408-D412 PolarHBondContact O-N 2.8Å; D412-I415 PolarHBondContact O-N 3.48Å; D412-N416 WeakPolarHBondContact O-CB 3.46Å; D412-N416 PolarHBondContact O-N 3.11Å; D412-N416 PolarHBondContact O-ND2 2.72Å; D412-N416 VanDerWaalsContact O-ND2 3.11Å |
| 413 | F | 65.3 | Low | 67 | Low | 83 Ų | 83 | 56.1 Ų | 56.1 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | 176.9 | 174.9 | -95.8 | 0 | 0 | 0 | 112.2 | L260 N409 I410 I411 I415 L417 | L260-F413 HydrophobicContact CD1-CE2 3.97Å; N409-F413 WeakPolarHBondContact O-CB 3.49Å; N409-F413 PolarHBondContact O-N 2.91Å; N409-F413 VanDerWaalsContact O-N 3.13Å; I410-F413 PolarHBondContact O-N 2.79Å; I411-F413 VanDerWaalsContact C-N 3.32Å; I411-F413 PolarHBondContact O-N 2.92Å; F413-I415 PolarHBondContact O-N 3.29Å; F413-L417 HydrophobicContact CE1-CD1 4.27Å; F413-L417 HydrophobicContact CZ-CD1 4.35Å; F413-L417 WeakPolarHBondContact O-CB 3.5Å; F413-L417 PolarHBondContact O-N 3.12Å; F413-L417 VanDerWaalsContact O-N 3.12Å |
| 414 | F | 67.1 | Low | 67.8 | Low | 75 Ų | 75 | 57.6 Ų | 57.6 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 178.6 | -85.1 | -69.3 | 0 | 0 | 0 | 112.7 | F190 I410 I411 L417 L418 | F190-F414 HydrophobicContact CE1-CE1 4.46Å; F190-F414 HydrophobicContact CE1-CZ 4.22Å; F190-F414 HydrophobicContact CZ-CZ 4.22Å; I410-F414 HydrophobicContact CG2-CD2 3.79Å; I410-F414 HydrophobicContact CG2-CE2 3.77Å; I410-F414 WeakPolarHBondContact O-CD2 3.41Å; I410-F414 PolarHBondContact O-N 2.71Å; I411-F414 PolarHBondContact O-N 3.07Å; F414-L417 PolarHBondContact O-N 3.02Å; F414-L418 WeakPolarHBondContact O-CG 3.47Å; F414-L418 PolarHBondContact O-N 3.06Å; F414-L418 VanDerWaalsContact O-N 3.08Å |
| 415 | I | 70.7 | Confident | 68.3 | Low | 32 Ų | 32 | 55.3 Ų | 55.3 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.6 | -36.8 | -176.6 | -66.3 | 177.6 | 0 | 0 | 0 | 111.6 | I320 Y323 I411 D412 F413 L417 L418 Y419 | I320-I415 HydrophobicContact CG2-CG2 3.86Å; Y323-I415 HydrophobicContact CD1-CB 4.26Å; Y323-I415 HydrophobicContact CD1-CD1 3.49Å; Y323-I415 VanDerWaalsContact CD1-CD1 3.49Å; Y323-I415 HydrophobicContact CD1-CG1 4.45Å; Y323-I415 HydrophobicContact CD1-CG2 3.72Å; Y323-I415 HydrophobicContact CD2-CD1 3.75Å; Y323-I415 HydrophobicContact CE1-CB 4.41Å; Y323-I415 HydrophobicContact CE1-CD1 3.59Å; Y323-I415 HydrophobicContact CE1-CG2 4.34Å; Y323-I415 HydrophobicContact CE2-CD1 3.83Å; Y323-I415 HydrophobicContact CG-CD1 3.59Å; Y323-I415 HydrophobicContact CG-CG2 4.35Å; I411-I415 HydrophobicContact CG2-CD1 3.63Å; I411-I415 HydrophobicContact CG2-CG1 4.36Å; I411-I415 WeakPolarHBondContact O-CG1 3.43Å; I411-I415 PolarHBondContact O-N 3.03Å; D412-I415 PolarHBondContact O-N 3.48Å; F413-I415 PolarHBondContact O-N 3.29Å; I415-L417 VanDerWaalsContact C-N 3.32Å; I415-L417 PolarHBondContact O-N 3.34Å; I415-L418 PolarHBondContact O-N 2.99Å; I415-Y419 WeakPolarHBondContact O-CB 3.29Å; I415-Y419 PolarHBondContact O-N 2.99Å |
| 416 | N | 67.8 | Low | 68.9 | Low | 86 Ų | 86 | 51 Ų | 51 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 170.6 | -72.3 | -28.4 | 0 | 0 | 0 | 111.8 | D412 L418 Y419 D420 | D412-N416 WeakPolarHBondContact O-CB 3.46Å; D412-N416 PolarHBondContact O-N 3.11Å; D412-N416 PolarHBondContact O-ND2 2.72Å; D412-N416 VanDerWaalsContact O-ND2 3.11Å; N416-L418 PolarHBondContact O-N 3.36Å; N416-Y419 WeakPolarHBondContact O-CB 3.49Å; N416-Y419 PolarHBondContact O-N 3.47Å; N416-D420 PolarHBondContact O-N 2.93Å; N416-D420 VanDerWaalsContact O-N 3.07Å |
| 417 | L | 67.7 | Low | 69.5 | Low | 56 Ų | 56 | 52.1 Ų | 52.1 | 29% | 0.293 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 176.4 | -168.9 | 159.2 | 0 | 0 | 0 | 111.7 | L262 F413 F414 I415 L421 | L262-L417 HydrophobicContact CD2-CD2 3.83Å; L262-L417 HydrophobicContact CD2-CG 4.1Å; F413-L417 HydrophobicContact CE1-CD1 4.27Å; F413-L417 HydrophobicContact CZ-CD1 4.35Å; F413-L417 WeakPolarHBondContact O-CB 3.5Å; F413-L417 PolarHBondContact O-N 3.12Å; F413-L417 VanDerWaalsContact O-N 3.12Å; F414-L417 PolarHBondContact O-N 3.02Å; I415-L417 VanDerWaalsContact C-N 3.32Å; I415-L417 PolarHBondContact O-N 3.34Å; L417-L421 WeakPolarHBondContact O-CB 3.48Å; L417-L421 PolarHBondContact O-N 3.35Å |
| 418 | L | 72.9 | Confident | 70.1 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 37% | 0.366 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68 | -39.9 | 174.8 | -70.4 | 172.6 | 0 | 0 | 0 | 112.6 | I320 F414 I415 N416 L421 F422 | I320-L418 HydrophobicContact CD1-CB 3.79Å; F414-L418 WeakPolarHBondContact O-CG 3.47Å; F414-L418 PolarHBondContact O-N 3.06Å; F414-L418 VanDerWaalsContact O-N 3.08Å; I415-L418 PolarHBondContact O-N 2.99Å; N416-L418 PolarHBondContact O-N 3.36Å; L418-L421 PolarHBondContact O-N 3.07Å; L418-F422 HydrophobicContact CB-CD2 4.27Å; L418-F422 HydrophobicContact CB-CE2 4.09Å; L418-F422 HydrophobicContact CD2-CE2 4.03Å; L418-F422 HydrophobicContact CD2-CZ 4.45Å; L418-F422 WeakPolarHBondContact O-CD2 3.29Å; L418-F422 PolarHBondContact O-N 2.99Å |
| 419 | Y | 73.7 | Confident | 70.4 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 37% | 0.373 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 175.6 | 177.9 | -85 | 0 | 0 | 0 | 111.5 | I320 N321 I415 N416 L421 F422 N423 | I320-Y419 HydrophobicContact CG2-CD2 4.04Å; I320-Y419 HydrophobicContact CG2-CG 4.47Å; N321-Y419 WeakPolarHBondContact OD1-CD2 3.2Å; N321-Y419 VanDerWaalsContact OD1-CE2 3.23Å; N321-Y419 WeakPolarHBondContact OD1-CE2 3.29Å; I415-Y419 WeakPolarHBondContact O-CB 3.29Å; I415-Y419 PolarHBondContact O-N 2.99Å; N416-Y419 WeakPolarHBondContact O-CB 3.49Å; N416-Y419 PolarHBondContact O-N 3.47Å; Y419-L421 VanDerWaalsContact C-N 3.29Å; Y419-L421 PolarHBondContact O-N 3.34Å; Y419-F422 PolarHBondContact O-N 3.3Å; Y419-N423 WeakPolarHBondContact CD2-ND2 3.14Å; Y419-N423 WeakPolarHBondContact CE2-ND2 3.43Å; Y419-N423 VanDerWaalsContact CZ-ND2 3.3Å; Y419-N423 WeakPolarHBondContact O-CB 3.26Å; Y419-N423 PolarHBondContact O-N 2.93Å; Y419-N423 PolarHBondContact O-ND2 2.86Å |
| 420 | D | 71.7 | Confident | 71.1 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67 | -29.8 | 179.7 | -87.2 | -36.5 | 0 | 0 | 0 | 112.7 | H259 N416 N424 | H259-D420 IonicContact ND1-OD2 2.88Å; N416-D420 PolarHBondContact O-N 2.93Å; N416-D420 VanDerWaalsContact O-N 3.07Å; D420-N424 WeakPolarHBondContact O-CB 3.42Å; D420-N424 PolarHBondContact O-N 3.36Å; D420-N424 PolarHBondContact O-ND2 2.79Å; D420-N424 PolarHBondContact OD1-ND2 3.37Å |
| 421 | L | 74.5 | Confident | 72.2 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.5 | -48.1 | 176.5 | -156.5 | 164.4 | 0 | 0 | 0 | 111.4 | L262 L286 L417 L418 Y419 C425 I426 | L262-L421 HydrophobicContact CD2-CD1 4.24Å; L286-L421 HydrophobicContact CD2-CD2 4.16Å; L417-L421 WeakPolarHBondContact O-CB 3.48Å; L417-L421 PolarHBondContact O-N 3.35Å; L418-L421 PolarHBondContact O-N 3.07Å; Y419-L421 VanDerWaalsContact C-N 3.29Å; Y419-L421 PolarHBondContact O-N 3.34Å; L421-C425 WeakPolarHBondContact O-CA 3.43Å; L421-C425 WeakPolarHBondContact O-CB 3.17Å; L421-C425 PolarHBondContact O-N 2.92Å; L421-C425 VanDerWaalsContact O-N 3.15Å; L421-I426 HydrophobicContact CD2-CD1 4.15Å; L421-I426 HydrophobicContact CD2-CG1 4.26Å |
| 422 | F | 76.7 | Confident | 73.2 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 11% | 0.114 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.2 | -36 | -177.9 | -68.1 | -54.3 | 0 | 0 | 0 | 114.2 | L313 R317 I320 L418 Y419 I426 | L313-F422 HydrophobicContact CD2-CE1 3.92Å; R317-F422 HydrophobicContact CB-CB 4.19Å; R317-F422 HydrophobicContact CG-CB 4.31Å; I320-F422 HydrophobicContact CD1-CD2 3.45Å; I320-F422 VanDerWaalsContact CD1-CD2 3.45Å; I320-F422 HydrophobicContact CD1-CE2 3.58Å; L418-F422 HydrophobicContact CB-CD2 4.27Å; L418-F422 HydrophobicContact CB-CE2 4.09Å; L418-F422 HydrophobicContact CD2-CE2 4.03Å; L418-F422 HydrophobicContact CD2-CZ 4.45Å; L418-F422 WeakPolarHBondContact O-CD2 3.29Å; L418-F422 PolarHBondContact O-N 2.99Å; Y419-F422 PolarHBondContact O-N 3.3Å; F422-I426 HydrophobicContact CD1-CD1 3.85Å; F422-I426 HydrophobicContact CE1-CD1 4.11Å |
| 423 | N | 73.4 | Confident | 74.3 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -79.9 | -43.7 | -179.5 | -73.2 | -49.6 | 0 | 0 | 0 | 112.7 | R317 Y419 | R317-N423 WeakPolarHBondContact CD-OD1 3.42Å; R317-N423 WeakPolarHBondContact CG-OD1 3.37Å; Y419-N423 WeakPolarHBondContact CD2-ND2 3.14Å; Y419-N423 WeakPolarHBondContact CE2-ND2 3.43Å; Y419-N423 VanDerWaalsContact CZ-ND2 3.3Å; Y419-N423 WeakPolarHBondContact O-CB 3.26Å; Y419-N423 PolarHBondContact O-N 2.93Å; Y419-N423 PolarHBondContact O-ND2 2.86Å |
| 424 | N | 73.5 | Confident | 75.6 | Confident | 95 Ų | 95 | 56.1 Ų | 56.1 | 51% | 0.508 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -94.9 | -19.6 | -171.7 | -57 | -54.1 | 0 | 0 | 0 | 114 | C263 D420 | C263-N424 HydrophobicContact CB-CB 3.83Å; C263-N424 VanDerWaalsContact SG-C 3.54Å; C263-N424 PolarHBondContact SG-O 3.43Å; D420-N424 WeakPolarHBondContact O-CB 3.42Å; D420-N424 PolarHBondContact O-N 3.36Å; D420-N424 PolarHBondContact O-ND2 2.79Å; D420-N424 PolarHBondContact OD1-ND2 3.37Å |
| 425 | C | 73.8 | Confident | 76.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -120.4 | -13.9 | -165.2 | -117.5 | 0 | 0 | 0 | 0 | 117.3 | C263 F287 L421 | C263-C425 WeakPolarHBondContact CA-SG 3.24Å; C263-C425 HydrophobicContact CB-CB 3.72Å; C263-C425 WeakPolarHBondContact CB-SG 3.29Å; C263-C425 WeakPolarHBondContact SG-CA 3.34Å; C263-C425 WeakPolarHBondContact SG-CB 3.43Å; C263-C425 CovalentContact SG-SG 2.04Å; C263-C425 PolarHBondContact SG-SG 3.05Å; F287-C425 WeakPolarHBondContact CE1-O 3.41Å; L421-C425 WeakPolarHBondContact O-CA 3.43Å; L421-C425 WeakPolarHBondContact O-CB 3.17Å; L421-C425 PolarHBondContact O-N 2.92Å; L421-C425 VanDerWaalsContact O-N 3.15Å |
| 426 | I | 74.9 | Confident | 77.7 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | trans | -111.2 | 116.8 | 176.7 | -52.6 | -166.3 | 0 | 0 | 0 | 110 | F285 L286 L421 F422 I428 | F285-I426 HydrophobicContact CE1-CD1 4.49Å; L286-I426 HydrophobicContact CD2-CD1 3.75Å; L286-I426 HydrophobicContact CD2-CG1 3.68Å; L421-I426 HydrophobicContact CD2-CD1 4.15Å; L421-I426 HydrophobicContact CD2-CG1 4.26Å; F422-I426 HydrophobicContact CD1-CD1 3.85Å; F422-I426 HydrophobicContact CE1-CD1 4.11Å; I426-I428 HydrophobicContact CB-CG1 4.24Å; I426-I428 HydrophobicContact CG2-CG1 3.72Å; I426-I428 PolarHBondContact O-N 2.89Å | ||
| 427 | Q | 73 | Confident | 78.8 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 38% | 0.379 | 29% | 0.292 | S | S | . | . | trans | -81.3 | 66.6 | 178.6 | -65.7 | -170.5 | -57.4 | 0 | 0 | 111.4 | L286 D429 | L286-Q427 PolarHBondContact O-N 3.45Å; Q427-D429 PolarHBondContact O-N 3.43Å | ||
| 428 | I | 73.1 | Confident | 79.9 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -57.4 | -49.1 | -177 | -59.7 | -179.1 | 0 | 0 | 0 | 111.1 | L313 N314 I426 Q430 | L313-I428 HydrophobicContact CB-CD1 4.32Å; N314-I428 HydrophobicContact CB-CD1 4.35Å; N314-I428 HydrophobicContact CB-CG2 4.12Å; I426-I428 HydrophobicContact CB-CG1 4.24Å; I426-I428 HydrophobicContact CG2-CG1 3.72Å; I426-I428 PolarHBondContact O-N 2.89Å; I428-Q430 VanDerWaalsContact C-N 3.31Å; I428-Q430 PolarHBondContact O-N 3.47Å |
| 429 | D | 73.4 | Confident | 80.6 | Confident | 119 Ų | 119 | 61 Ų | 61 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -79.3 | -10.5 | -164.7 | -48.4 | -57.8 | 0 | 0 | 0 | 113.8 | R317 Q427 | R317-D429 IonicContact CZ-OD2 2.95Å; R317-D429 IonicContact NH1-OD2 3.97Å; R317-D429 PolarHBondContact NH1-OD2 3.37Å; R317-D429 IonicContact NH2-OD1 2.7Å; R317-D429 PolarHBondContact NH2-OD1 2.92Å; R317-D429 IonicContact NH2-OD2 3.18Å; R317-D429 PolarHBondContact NH2-OD2 3.3Å; Q427-D429 PolarHBondContact O-N 3.43Å |
| 430 | Q | 76.7 | Confident | 81.5 | Confident | 133 Ų | 133 | 60.5 Ų | 60.5 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -118.8 | 15 | -179.7 | -65.8 | -173.9 | -11.8 | 0 | 0 | 113.4 | I428 F432 | I428-Q430 VanDerWaalsContact C-N 3.31Å; I428-Q430 PolarHBondContact O-N 3.47Å; Q430-F432 PolarHBondContact O-N 2.88Å |
| 431 | K | 82.7 | Confident | 82.4 | Confident | 18 Ų | 18 | 60 Ų | 60 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -68.8 | -30.4 | -171.4 | -170.2 | 119 | -179.5 | 152 | 0 | 114.5 | Y284 F285 G288 I290 T310 | Y284-K431 PolarHBondContact O-NZ 3.49Å; F285-K431 PolarHBondContact O-NZ 2.93Å; G288-K431 WeakPolarHBondContact O-CD 3.35Å; G288-K431 WeakPolarHBondContact O-CE 3.33Å; G288-K431 PolarHBondContact O-NZ 3.43Å; I290-K431 PolarHBondContact N-O 3.05Å; T310-K431 HydrophobicContact CG2-CD 3.84Å; T310-K431 HydrophobicContact CG2-CG 4.14Å |
| 432 | F | 88.2 | Confident | 83 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131 | -176.5 | -59.1 | -82.6 | 0 | 0 | 0 | 111.2 | I290 I303 M306 T310 Q430 | I290-F432 HydrophobicContact CB-CD1 4.05Å; I290-F432 HydrophobicContact CD1-CD1 3.79Å; I290-F432 HydrophobicContact CD1-CE1 3.4Å; I290-F432 HydrophobicContact CD1-CZ 4.22Å; I290-F432 HydrophobicContact CG2-CD1 4.3Å; I290-F432 CarbonylContact O-C 3.59Å; I290-F432 WeakPolarHBondContact O-CA 3.21Å; I303-F432 HydrophobicContact CG2-CB 4.01Å; I303-F432 HydrophobicContact CG2-CD1 3.42Å; I303-F432 VanDerWaalsContact CG2-CD1 3.42Å; I303-F432 HydrophobicContact CG2-CE1 3.99Å; I303-F432 HydrophobicContact CG2-CG 3.83Å; M306-F432 HydrophobicContact CG-CE1 4.47Å; M306-F432 HydrophobicContact SD-CE1 3.98Å; T310-F432 HydrophobicContact CG2-CE2 4.22Å; Q430-F432 PolarHBondContact O-N 2.88Å |
| 433 | I | 90.1 | Very high | 83.6 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 19% | 0.19 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 108.8 | -170 | -51.2 | 178.6 | 0 | 0 | 0 | 110.1 | I290 A291 Y292 F435 Y444 | I290-I433 PolarHBondContact O-N 3.03Å; A291-I433 CarbonylContact C-O 3.59Å; A291-I433 WeakPolarHBondContact CA-O 3.39Å; Y292-I433 WeakPolarHBondContact CD1-O 3.46Å; Y292-I433 PolarHBondContact N-O 3.05Å; I433-F435 HydrophobicContact CB-CE2 4.23Å; I433-F435 HydrophobicContact CG2-CD2 4.42Å; I433-F435 HydrophobicContact CG2-CE2 3.53Å; I433-F435 HydrophobicContact CG2-CZ 3.82Å; I433-Y444 HydrophobicContact CD1-CE1 4.13Å; I433-Y444 HydrophobicContact CD1-CE2 4.34Å; I433-Y444 WeakPolarHBondContact CD1-OH 3.33Å |
| 434 | P | 91.8 | Very high | 84.3 | Confident | 68 Ų | 68 | 65 Ų | 65 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 148.6 | -178.8 | 31.2 | -33.9 | 0 | 0 | 0 | 113 | Y292 | Y292-P434 HydrophobicContact CE1-CB 3.94Å; Y292-P434 HydrophobicContact CE2-CB 4.31Å |
| 435 | F | 92.5 | Very high | 85 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | trans | -138.4 | 127.6 | 169.8 | -66.2 | -92.7 | 0 | 0 | 0 | 111.5 | A291 Y292 Y293 P294 S295 I433 D440 F441 Y444 | A291-F435 HydrophobicContact CB-CD2 4.31Å; A291-F435 HydrophobicContact CB-CE2 3.81Å; Y292-F435 PolarHBondContact O-N 2.99Å; Y293-F435 WeakPolarHBondContact CD2-O 3.4Å; P294-F435 CarbonylContact C-O 3.52Å; P294-F435 WeakPolarHBondContact CA-O 3.5Å; S295-F435 PolarHBondContact N-O 3.26Å; I433-F435 HydrophobicContact CB-CE2 4.23Å; I433-F435 HydrophobicContact CG2-CD2 4.42Å; I433-F435 HydrophobicContact CG2-CE2 3.53Å; I433-F435 HydrophobicContact CG2-CZ 3.82Å; F435-D440 HydrophobicContact CD1-CB 4.08Å; F435-D440 HydrophobicContact CE1-CB 4.46Å; F435-F441 HydrophobicContact CB-CB 3.81Å; F435-F441 HydrophobicContact CD1-CB 4.06Å; F435-F441 HydrophobicContact CD2-CB 4.09Å; F435-F441 AromaticContact CD2-CD2 3.92Å; F435-F441 HydrophobicContact CD2-CD2 3.92Å; F435-F441 HydrophobicContact CE2-CD2 4.44Å; F435-F441 HydrophobicContact CG-CB 3.72Å; F435-F441 HydrophobicContact CG-CD2 4.38Å; F435-Y444 HydrophobicContact CE1-CG 4.31Å; F435-Y444 HydrophobicContact CE2-CD1 4.22Å; F435-Y444 HydrophobicContact CE2-CG 4.3Å; F435-Y444 AromaticContact CZ-CD1 3.88Å; F435-Y444 HydrophobicContact CZ-CD1 3.88Å; F435-Y444 AromaticContact CZ-CD2 3.96Å; F435-Y444 HydrophobicContact CZ-CD2 3.96Å; F435-Y444 AromaticContact CZ-CG 3.51Å; F435-Y444 HydrophobicContact CZ-CG 3.51Å | ||
| 436 | H | 90.2 | Very high | 85.4 | Confident | 147 Ų | 147 | 63.6 Ų | 63.6 | 68% | 0.681 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -84.3 | -13.7 | 171.8 | -53.5 | -62.4 | 0 | 0 | 0 | 113.3 | Y293 S295 | Y293-H436 WeakPolarHBondContact CE2-O 3.11Å; S295-H436 PolarHBondContact O-CE1 2.97Å; S295-H436 PolarHBondContact O-ND1 2.86Å |
| 437 | N | 90.4 | Very high | 85.9 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -127.6 | 133.7 | -175.8 | 178.6 | 17.4 | 0 | 0 | 0 | 111.3 | Y293 N439 D440 F441 | Y293-N437 VanDerWaalsContact CD2-C 3.49Å; Y293-N437 VanDerWaalsContact CE2-C 3.47Å; N437-N439 VanDerWaalsContact C-N 3.34Å; N437-N439 PolarHBondContact O-N 3.48Å; N437-N439 PolarHBondContact OD1-N 2.93Å; N437-D440 WeakPolarHBondContact CB-OD2 3.49Å; N437-D440 PolarHBondContact ND2-OD2 3.2Å; N437-D440 PolarHBondContact O-N 3.3Å; N437-F441 PolarHBondContact O-N 2.98Å |
| 438 | Y | 89.8 | Confident | 86.3 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 30% | 0.302 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | -178.4 | 178.4 | -97.8 | 0 | 0 | 0 | 112.8 | Y293 F441 Y442 I460 R499 | Y293-Y438 HydrophobicContact CD1-CD2 4.05Å; Y293-Y438 HydrophobicContact CE1-CD2 4.08Å; Y293-Y438 HydrophobicContact CE1-CG 4.48Å; Y438-F441 HydrophobicContact CD2-CD1 4.33Å; Y438-F441 HydrophobicContact CE2-CD1 4.37Å; Y438-Y442 VanDerWaalsContact O-CB 3.31Å; Y438-Y442 WeakPolarHBondContact O-CB 3.45Å; Y438-Y442 PolarHBondContact O-N 3.38Å; Y438-I460 HydrophobicContact CE2-CD1 3.88Å; Y438-R499 PolarHBondContact OH-NH1 2.89Å |
| 439 | N | 89.4 | Confident | 86.5 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | -177.5 | -70.9 | -9.1 | 0 | 0 | 0 | 111.6 | N437 Y442 N443 | N437-N439 VanDerWaalsContact C-N 3.34Å; N437-N439 PolarHBondContact O-N 3.48Å; N437-N439 PolarHBondContact OD1-N 2.93Å; N439-Y442 PolarHBondContact O-N 3.45Å; N439-N443 WeakPolarHBondContact O-CB 3.5Å; N439-N443 PolarHBondContact O-N 3.12Å; N439-N443 PolarHBondContact O-ND2 3.42Å |
| 440 | D | 90.8 | Very high | 86.5 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.2 | -39.9 | -180 | -58 | -44.3 | 0 | 0 | 0 | 111.3 | F435 N437 Y444 | F435-D440 HydrophobicContact CD1-CB 4.08Å; F435-D440 HydrophobicContact CE1-CB 4.46Å; N437-D440 WeakPolarHBondContact CB-OD2 3.49Å; N437-D440 PolarHBondContact ND2-OD2 3.2Å; N437-D440 PolarHBondContact O-N 3.3Å; D440-Y444 WeakPolarHBondContact O-CB 3.4Å; D440-Y444 PolarHBondContact O-N 3.15Å |
| 441 | F | 91.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.5 | -48.8 | 167.9 | 166.2 | -92.2 | 0 | 0 | 0 | 111.5 | A291 F435 N437 Y438 Y444 M445 I460 | A291-F441 HydrophobicContact CB-CD2 4.11Å; A291-F441 HydrophobicContact CB-CE2 3.96Å; F435-F441 HydrophobicContact CB-CB 3.81Å; F435-F441 HydrophobicContact CD1-CB 4.06Å; F435-F441 HydrophobicContact CD2-CB 4.09Å; F435-F441 AromaticContact CD2-CD2 3.92Å; F435-F441 HydrophobicContact CD2-CD2 3.92Å; F435-F441 HydrophobicContact CE2-CD2 4.44Å; F435-F441 HydrophobicContact CG-CB 3.72Å; F435-F441 HydrophobicContact CG-CD2 4.38Å; N437-F441 PolarHBondContact O-N 2.98Å; Y438-F441 HydrophobicContact CD2-CD1 4.33Å; Y438-F441 HydrophobicContact CE2-CD1 4.37Å; F441-Y444 PolarHBondContact O-N 3.08Å; F441-M445 HydrophobicContact CD2-CG 4.44Å; F441-M445 HydrophobicContact CE1-CG 4.2Å; F441-M445 HydrophobicContact CE2-CG 4.16Å; F441-M445 HydrophobicContact CE2-SD 4.41Å; F441-M445 HydrophobicContact CZ-CG 4.04Å; F441-M445 VanDerWaalsContact O-CG 3.24Å; F441-M445 WeakPolarHBondContact O-CG 3.36Å; F441-M445 PolarHBondContact O-N 2.86Å; F441-I460 HydrophobicContact CE1-CD1 3.83Å; F441-I460 HydrophobicContact CE1-CG1 3.76Å; F441-I460 HydrophobicContact CZ-CD1 4.23Å; F441-I460 HydrophobicContact CZ-CG1 3.81Å |
| 442 | Y | 87.9 | Confident | 86.3 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | -177.9 | -175.5 | -122.3 | 0 | 0 | 0 | 112.3 | Y438 N439 Y444 M445 I446 | Y438-Y442 VanDerWaalsContact O-CB 3.31Å; Y438-Y442 WeakPolarHBondContact O-CB 3.45Å; Y438-Y442 PolarHBondContact O-N 3.38Å; N439-Y442 PolarHBondContact O-N 3.45Å; Y442-Y444 VanDerWaalsContact C-N 3.34Å; Y442-Y444 PolarHBondContact O-N 3.16Å; Y442-M445 PolarHBondContact O-N 3.29Å; Y442-I446 HydrophobicContact CD1-CD1 4.04Å; Y442-I446 HydrophobicContact CD2-CD1 4.39Å; Y442-I446 HydrophobicContact CE1-CD1 3.6Å; Y442-I446 HydrophobicContact CE2-CD1 3.99Å; Y442-I446 HydrophobicContact CE2-CG1 4.34Å; Y442-I446 HydrophobicContact CG-CD1 4.43Å; Y442-I446 WeakPolarHBondContact O-CG1 3.23Å; Y442-I446 PolarHBondContact O-N 2.76Å |
| 443 | N | 87.5 | Confident | 85.8 | Confident | 95 Ų | 95 | 65.4 Ų | 65.4 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 175.3 | -71.5 | -24.3 | 0 | 0 | 0 | 111.9 | N439 K447 | N439-N443 WeakPolarHBondContact O-CB 3.5Å; N439-N443 PolarHBondContact O-N 3.12Å; N439-N443 PolarHBondContact O-ND2 3.42Å; N443-K447 VanDerWaalsContact O-CB 3.28Å; N443-K447 WeakPolarHBondContact O-CB 3.41Å; N443-K447 PolarHBondContact O-N 3.49Å |
| 444 | Y | 90 | Very high | 85.2 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 174 | 178.4 | -89.5 | 0 | 0 | 0 | 111.9 | A291 I433 F435 D440 F441 Y442 I446 K447 Q448 P456 | A291-Y444 HydrophobicContact CB-CD1 4.28Å; A291-Y444 HydrophobicContact CB-CE1 4.32Å; I433-Y444 HydrophobicContact CD1-CE1 4.13Å; I433-Y444 HydrophobicContact CD1-CE2 4.34Å; I433-Y444 WeakPolarHBondContact CD1-OH 3.33Å; F435-Y444 HydrophobicContact CE1-CG 4.31Å; F435-Y444 HydrophobicContact CE2-CD1 4.22Å; F435-Y444 HydrophobicContact CE2-CG 4.3Å; F435-Y444 AromaticContact CZ-CD1 3.88Å; F435-Y444 HydrophobicContact CZ-CD1 3.88Å; F435-Y444 AromaticContact CZ-CD2 3.96Å; F435-Y444 HydrophobicContact CZ-CD2 3.96Å; F435-Y444 AromaticContact CZ-CG 3.51Å; F435-Y444 HydrophobicContact CZ-CG 3.51Å; D440-Y444 WeakPolarHBondContact O-CB 3.4Å; D440-Y444 PolarHBondContact O-N 3.15Å; F441-Y444 PolarHBondContact O-N 3.08Å; Y442-Y444 VanDerWaalsContact C-N 3.34Å; Y442-Y444 PolarHBondContact O-N 3.16Å; Y444-I446 VanDerWaalsContact C-N 3.35Å; Y444-I446 PolarHBondContact O-N 3.48Å; Y444-K447 PolarHBondContact O-N 3.27Å; Y444-Q448 HydrophobicContact CD1-CG 4.35Å; Y444-Q448 HydrophobicContact CD2-CG 4.45Å; Y444-Q448 HydrophobicContact CE1-CG 3.83Å; Y444-Q448 HydrophobicContact CE2-CG 3.97Å; Y444-Q448 PolarHBondContact O-N 3.08Å; Y444-P456 HydrophobicContact CE1-CB 4.05Å; Y444-P456 HydrophobicContact CE1-CG 3.98Å |
| 445 | M | 88 | Confident | 84.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | -179.9 | -70.6 | -65.4 | -59 | 0 | 0 | 112.1 | A291 F441 Y442 Q449 P456 L1563 | A291-M445 HydrophobicContact CB-SD 3.85Å; F441-M445 HydrophobicContact CD2-CG 4.44Å; F441-M445 HydrophobicContact CE1-CG 4.2Å; F441-M445 HydrophobicContact CE2-CG 4.16Å; F441-M445 HydrophobicContact CE2-SD 4.41Å; F441-M445 HydrophobicContact CZ-CG 4.04Å; F441-M445 VanDerWaalsContact O-CG 3.24Å; F441-M445 WeakPolarHBondContact O-CG 3.36Å; F441-M445 PolarHBondContact O-N 2.86Å; Y442-M445 PolarHBondContact O-N 3.29Å; M445-Q449 PolarHBondContact O-N 2.9Å; M445-P456 HydrophobicContact CE-CB 4.37Å; M445-P456 HydrophobicContact CE-CG 4.14Å; M445-P456 VanDerWaalsContact CE-O 3.3Å; M445-P456 WeakPolarHBondContact CE-O 3.46Å; M445-P456 HydrophobicContact SD-CB 3.87Å; M445-P456 HydrophobicContact SD-CG 3.78Å; M445-L1563 HydrophobicContact CB-CD1 4.38Å; M445-L1563 HydrophobicContact CB-CD2 4.07Å; M445-L1563 HydrophobicContact CE-CD1 4.06Å |
| 446 | I | 82.3 | Confident | 84.2 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 35% | 0.349 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -50.4 | 173.3 | -69.4 | 170.4 | 0 | 0 | 0 | 110.6 | Y442 Y444 Q448 Q449 | Y442-I446 HydrophobicContact CD1-CD1 4.04Å; Y442-I446 HydrophobicContact CD2-CD1 4.39Å; Y442-I446 HydrophobicContact CE1-CD1 3.6Å; Y442-I446 HydrophobicContact CE2-CD1 3.99Å; Y442-I446 HydrophobicContact CE2-CG1 4.34Å; Y442-I446 HydrophobicContact CG-CD1 4.43Å; Y442-I446 WeakPolarHBondContact O-CG1 3.23Å; Y442-I446 PolarHBondContact O-N 2.76Å; Y444-I446 VanDerWaalsContact C-N 3.35Å; Y444-I446 PolarHBondContact O-N 3.48Å; I446-Q448 VanDerWaalsContact C-N 3.26Å; I446-Q448 PolarHBondContact O-N 3.33Å; I446-Q449 WeakPolarHBondContact O-CB 3.34Å; I446-Q449 PolarHBondContact O-N 2.77Å |
| 447 | K | 84 | Confident | 84.1 | Confident | 176 Ų | 176 | 53.2 Ų | 53.2 | 77% | 0.765 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.1 | -34.5 | -174.9 | -174.4 | 173.5 | -179.6 | 177.4 | 0 | 113 | N443 Y444 | N443-K447 VanDerWaalsContact O-CB 3.28Å; N443-K447 WeakPolarHBondContact O-CB 3.41Å; N443-K447 PolarHBondContact O-N 3.49Å; Y444-K447 PolarHBondContact O-N 3.27Å |
| 448 | Q | 82.4 | Confident | 84.1 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -84.4 | -10 | 176.4 | -67 | -67.4 | -0.2 | 0 | 0 | 114.2 | Y444 I446 N450 N451 P456 | Y444-Q448 HydrophobicContact CD1-CG 4.35Å; Y444-Q448 HydrophobicContact CD2-CG 4.45Å; Y444-Q448 HydrophobicContact CE1-CG 3.83Å; Y444-Q448 HydrophobicContact CE2-CG 3.97Å; Y444-Q448 PolarHBondContact O-N 3.08Å; I446-Q448 VanDerWaalsContact C-N 3.26Å; I446-Q448 PolarHBondContact O-N 3.33Å; Q448-N450 PolarHBondContact O-N 2.95Å; Q448-N451 WeakPolarHBondContact O-CB 3.4Å; Q448-N451 PolarHBondContact O-N 3.15Å; Q448-P456 VanDerWaalsContact CB-CD 3.5Å; Q448-P456 HydrophobicContact CB-CG 3.65Å; Q448-P456 HydrophobicContact CG-CG 4.25Å |
| 449 | Q | 77.8 | Confident | 84.3 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -30.6 | -169.3 | -167.9 | 175.7 | -24.1 | 0 | 0 | 113.9 | M445 I446 N451 N501 L1563 P1564 T1566 | M445-Q449 PolarHBondContact O-N 2.9Å; I446-Q449 WeakPolarHBondContact O-CB 3.34Å; I446-Q449 PolarHBondContact O-N 2.77Å; Q449-N451 VanDerWaalsContact C-N 3.28Å; Q449-N451 PolarHBondContact O-N 3.05Å; Q449-N501 HydrophobicContact CG-CB 4.11Å; Q449-N501 WeakPolarHBondContact CG-ND2 3.49Å; Q449-N501 PolarHBondContact O-ND2 3.01Å; Q449-N501 VanDerWaalsContact O-ND2 3.09Å; Q449-L1563 HydrophobicContact CG-CD1 4.1Å; Q449-P1564 PolarHBondContact NE2-O 2.82Å; Q449-P1564 PolarHBondContact OE1-O 2.94Å; Q449-T1566 HydrophobicContact CB-CG2 4.04Å; Q449-T1566 HydrophobicContact CG-CG2 3.65Å |
| 450 | N | 73.5 | Confident | 84.4 | Confident | 101 Ų | 101 | 42.1 Ų | 42.1 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.4 | 175.3 | -77.2 | -32.9 | 0 | 0 | 0 | 113.5 | Q448 L452 T1566 | Q448-N450 PolarHBondContact O-N 2.95Å; N450-L452 PolarHBondContact O-N 2.85Å; N450-L452 VanDerWaalsContact O-N 3.12Å; N450-T1566 WeakPolarHBondContact OD1-CB 3.45Å; N450-T1566 WeakPolarHBondContact OD1-CG2 3.34Å |
| 451 | N | 78.8 | Confident | 84.4 | Confident | 71 Ų | 71 | 38.5 Ų | 38.5 | 38% | 0.38 | 19% | 0.187 | S | C | . | . | trans | -87.6 | 79.2 | -178.7 | -172.3 | -3.1 | 0 | 0 | 0 | 110.6 | Q448 Q449 L453 S454 S455 | Q448-N451 WeakPolarHBondContact O-CB 3.4Å; Q448-N451 PolarHBondContact O-N 3.15Å; Q449-N451 VanDerWaalsContact C-N 3.28Å; Q449-N451 PolarHBondContact O-N 3.05Å; N451-L453 PolarHBondContact O-N 3.39Å; N451-L453 VanDerWaalsContact O-N 3.09Å; N451-S454 PolarHBondContact ND2-OG 2.77Å; N451-S454 PolarHBondContact O-N 3.49Å; N451-S455 WeakPolarHBondContact O-CA 3.32Å; N451-S455 PolarHBondContact O-N 2.99Å; N451-S455 VanDerWaalsContact O-N 3.08Å | ||
| 452 | L | 75.3 | Confident | 84 | Confident | 51 Ų | 51 | 42 Ų | 42 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -59.7 | -22.1 | -173.5 | -59.8 | -177.7 | 0 | 0 | 0 | 114.6 | L276 R283 N450 L503 | L276-L452 HydrophobicContact CD1-CB 4.19Å; L276-L452 HydrophobicContact CD2-CB 4.24Å; L276-L452 HydrophobicContact CD2-CD1 4.06Å; R283-L452 PolarHBondContact NH1-O 3.09Å; N450-L452 PolarHBondContact O-N 2.85Å; N450-L452 VanDerWaalsContact O-N 3.12Å; L452-L503 HydrophobicContact CD1-CD1 4.22Å; L452-L503 HydrophobicContact CD2-CD1 3.59Å |
| 453 | L | 77.5 | Confident | 83.8 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -73.7 | -50.3 | 178.6 | -169.3 | 78.5 | 0 | 0 | 0 | 111.6 | K267 L270 N271 R283 F287 N451 | K267-L453 HydrophobicContact CD-CD2 4.1Å; K267-L453 HydrophobicContact CG-CD2 3.75Å; L270-L453 HydrophobicContact CB-CD1 4.07Å; N271-L453 HydrophobicContact CB-CD1 4.44Å; R283-L453 HydrophobicContact CG-CD1 4.37Å; R283-L453 WeakPolarHBondContact CG-O 3.28Å; R283-L453 PolarHBondContact NH1-O 3.5Å; F287-L453 HydrophobicContact CB-CG 4.22Å; F287-L453 HydrophobicContact CD1-CD2 4.26Å; F287-L453 HydrophobicContact CD2-CD1 3.73Å; F287-L453 HydrophobicContact CD2-CD2 3.85Å; F287-L453 HydrophobicContact CD2-CG 3.63Å; F287-L453 HydrophobicContact CE1-CD2 4.38Å; F287-L453 HydrophobicContact CE2-CD1 3.93Å; F287-L453 HydrophobicContact CE2-CD2 3.98Å; F287-L453 HydrophobicContact CE2-CG 4.12Å; F287-L453 HydrophobicContact CG-CD2 4Å; F287-L453 HydrophobicContact CG-CG 3.96Å; F287-L453 HydrophobicContact CZ-CD2 4.25Å; N451-L453 PolarHBondContact O-N 3.39Å; N451-L453 VanDerWaalsContact O-N 3.09Å |
| 454 | S | 77.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -109.1 | 30 | -175.3 | 70.8 | 0 | 0 | 0 | 0 | 113.5 | F287 T289 N451 | F287-S454 VanDerWaalsContact O-CA 3.28Å; F287-S454 WeakPolarHBondContact O-CA 3.49Å; F287-S454 VanDerWaalsContact O-CB 3.27Å; F287-S454 WeakPolarHBondContact O-CB 3.32Å; T289-S454 PolarHBondContact OG1-O 2.73Å; N451-S454 PolarHBondContact ND2-OG 2.77Å; N451-S454 PolarHBondContact O-N 3.49Å |
| 455 | S | 77.8 | Confident | 82.7 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 120.2 | -176.4 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | R283 N451 F504 | R283-S455 PolarHBondContact NH1-OG 3.21Å; N451-S455 WeakPolarHBondContact O-CA 3.32Å; N451-S455 PolarHBondContact O-N 2.99Å; N451-S455 VanDerWaalsContact O-N 3.08Å; S455-F504 WeakPolarHBondContact OG-CE2 3.22Å |
| 456 | P | 84.7 | Confident | 81.8 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 147.9 | -178.1 | 27.9 | -35.2 | 0 | 0 | 0 | 111.8 | T289 Y444 M445 Q448 | T289-P456 WeakPolarHBondContact O-CA 3.47Å; T289-P456 WeakPolarHBondContact OG1-CA 3.38Å; T289-P456 WeakPolarHBondContact OG1-CB 3.46Å; Y444-P456 HydrophobicContact CE1-CB 4.05Å; Y444-P456 HydrophobicContact CE1-CG 3.98Å; M445-P456 HydrophobicContact CE-CB 4.37Å; M445-P456 HydrophobicContact CE-CG 4.14Å; M445-P456 VanDerWaalsContact CE-O 3.3Å; M445-P456 WeakPolarHBondContact CE-O 3.46Å; M445-P456 HydrophobicContact SD-CB 3.87Å; M445-P456 HydrophobicContact SD-CG 3.78Å; Q448-P456 VanDerWaalsContact CB-CD 3.5Å; Q448-P456 HydrophobicContact CB-CG 3.65Å; Q448-P456 HydrophobicContact CG-CG 4.25Å |
| 457 | I | 89 | Confident | 81 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.1 | 165.4 | -57.9 | -177.4 | 0 | 0 | 0 | 108.3 | Y284 T289 I290 A291 S537 I542 | Y284-I457 HydrophobicContact CD2-CD1 4.05Å; Y284-I457 HydrophobicContact CE2-CD1 3.94Å; T289-I457 PolarHBondContact O-N 3.07Å; I290-I457 WeakPolarHBondContact CA-O 3.09Å; A291-I457 PolarHBondContact N-O 2.87Å; I457-S537 WeakPolarHBondContact CD1-O 3.43Å; I457-I542 HydrophobicContact CB-CD1 3.62Å; I457-I542 HydrophobicContact CD1-CD1 3.56Å; I457-I542 HydrophobicContact CG1-CD1 4.09Å; I457-I542 HydrophobicContact CG2-CD1 3.57Å |
| 458 | G | 90.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A291 L498 R499 | A291-G458 CarbonylContact O-C 3.53Å; A291-G458 VanDerWaalsContact O-CA 3.32Å; A291-G458 WeakPolarHBondContact O-CA 3.46Å; G458-L498 CarbonylContact O-C 3.58Å; G458-L498 WeakPolarHBondContact O-CA 3.49Å; G458-R499 PolarHBondContact N-O 3.38Å; G458-R499 PolarHBondContact O-N 2.77Å |
| 459 | I | 92.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.1 | 177.9 | -52.8 | 174.9 | 0 | 0 | 0 | 109 | I290 A291 Y292 Y293 I303 F461 I496 L498 I542 L546 | I290-I459 HydrophobicContact CG2-CD1 3.45Å; I290-I459 VanDerWaalsContact CG2-CD1 3.45Å; I290-I459 HydrophobicContact CG2-CG1 4.03Å; A291-I459 PolarHBondContact O-N 3.46Å; Y292-I459 CarbonylContact C-O 3.55Å; Y292-I459 VanDerWaalsContact CA-O 3.26Å; Y292-I459 WeakPolarHBondContact CA-O 3.41Å; Y293-I459 PolarHBondContact N-O 3.38Å; I303-I459 HydrophobicContact CD1-CD1 3.93Å; I459-F461 HydrophobicContact CG2-CD2 4.26Å; I459-F461 HydrophobicContact CG2-CE1 4.46Å; I459-F461 HydrophobicContact CG2-CE2 3.78Å; I459-F461 HydrophobicContact CG2-CZ 3.89Å; I459-I496 HydrophobicContact CG2-CG2 3.96Å; I459-L498 HydrophobicContact CB-CD2 4.25Å; I459-L498 HydrophobicContact CG1-CD2 3.74Å; I459-L498 HydrophobicContact CG2-CD2 4.22Å; I459-I542 HydrophobicContact CD1-CG2 4.32Å; I459-L546 HydrophobicContact CD1-CD1 4.04Å; I459-L546 HydrophobicContact CG2-CD1 3.84Å |
| 460 | I | 92.5 | Very high | 78.1 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.9 | 172.7 | -63.9 | 160.4 | 0 | 0 | 0 | 108.8 | Y293 Y438 F441 N462 I496 T497 R499 | Y293-I460 HydrophobicContact CD1-CG2 4.27Å; Y293-I460 WeakPolarHBondContact O-CA 3.4Å; Y438-I460 HydrophobicContact CE2-CD1 3.88Å; F441-I460 HydrophobicContact CE1-CD1 3.83Å; F441-I460 HydrophobicContact CE1-CG1 3.76Å; F441-I460 HydrophobicContact CZ-CD1 4.23Å; F441-I460 HydrophobicContact CZ-CG1 3.81Å; I460-N462 PolarHBondContact O-N 3.46Å; I460-I496 CarbonylContact O-C 3.45Å; I460-I496 WeakPolarHBondContact O-CA 3.09Å; I460-T497 WeakPolarHBondContact CB-OG1 3.48Å; I460-T497 PolarHBondContact N-O 3.13Å; I460-T497 PolarHBondContact O-N 2.95Å; I460-R499 HydrophobicContact CD1-CG 4.04Å |
| 461 | F | 90 | Very high | 77 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 101.9 | 169.8 | -59.1 | -89.8 | 0 | 0 | 0 | 109 | Y292 Y293 T299 I302 I459 I464 I496 L546 | Y292-F461 HydrophobicContact CD2-CE2 4.44Å; Y293-F461 PolarHBondContact O-N 3.32Å; T299-F461 HydrophobicContact CG2-CB 4.37Å; T299-F461 HydrophobicContact CG2-CD1 4.33Å; T299-F461 HydrophobicContact CG2-CD2 3.52Å; T299-F461 HydrophobicContact CG2-CE2 3.77Å; T299-F461 HydrophobicContact CG2-CG 3.83Å; T299-F461 HydrophobicContact CG2-CZ 4.27Å; I302-F461 HydrophobicContact CD1-CE1 4.07Å; I302-F461 HydrophobicContact CG2-CE1 4.46Å; I302-F461 HydrophobicContact CG2-CZ 4.24Å; I459-F461 HydrophobicContact CG2-CD2 4.26Å; I459-F461 HydrophobicContact CG2-CE1 4.46Å; I459-F461 HydrophobicContact CG2-CE2 3.78Å; I459-F461 HydrophobicContact CG2-CZ 3.89Å; F461-I464 HydrophobicContact CB-CD1 4.39Å; F461-I464 HydrophobicContact CB-CG1 4.44Å; F461-I496 HydrophobicContact CD1-CG1 3.94Å; F461-I496 HydrophobicContact CE1-CD1 4.46Å; F461-I496 HydrophobicContact CE1-CG1 4.23Å; F461-L546 HydrophobicContact CE1-CD2 4.08Å; F461-L546 HydrophobicContact CZ-CD2 4.49Å |
| 462 | N | 83.9 | Confident | 75.4 | Confident | 75 Ų | 75 | 39 Ų | 39 | 40% | 0.401 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -36 | -178.4 | -61 | -63.6 | 0 | 0 | 0 | 112.6 | I460 S495 T497 | I460-N462 PolarHBondContact O-N 3.46Å; N462-S495 PolarHBondContact N-O 3.46Å; N462-T497 PolarHBondContact ND2-N 3.49Å; N462-T497 PolarHBondContact ND2-OG1 2.91Å; N462-T497 PolarHBondContact OD1-OG1 2.96Å |
| 463 | Q | 83.1 | Confident | 74.1 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 136.3 | -176.7 | -173 | 176.2 | -5.8 | 0 | 0 | 109.3 | S495 | Q463-S495 PolarHBondContact N-O 3.36Å; Q463-S495 PolarHBondContact O-N 3.21Å |
| 464 | I | 77.7 | Confident | 72.4 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | trans | -124.9 | 133.7 | 179.7 | -64.1 | 166 | 0 | 0 | 0 | 106.7 | F298 T299 F461 N466 L468 | F298-I464 HydrophobicContact CD1-CD1 4.26Å; F298-I464 HydrophobicContact CD1-CG2 3.83Å; F298-I464 HydrophobicContact CE1-CG2 3.63Å; T299-I464 HydrophobicContact CG2-CD1 4.13Å; F461-I464 HydrophobicContact CB-CD1 4.39Å; F461-I464 HydrophobicContact CB-CG1 4.44Å; I464-N466 PolarHBondContact O-N 3.12Å; I464-L468 HydrophobicContact CG2-CB 4.04Å; I464-L468 HydrophobicContact CG2-CD1 3.89Å | ||
| 465 | P | 76.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -53.4 | 134 | 178.4 | -27.6 | 31.1 | 0 | 0 | 0 | 113.9 | Y467 L468 I493 F550 | P465-Y467 VanDerWaalsContact C-N 3.31Å; P465-Y467 HydrophobicContact CB-CD1 3.81Å; P465-Y467 HydrophobicContact CB-CE1 3.37Å; P465-Y467 HydrophobicContact CG-CE1 4.31Å; P465-Y467 PolarHBondContact O-N 2.57Å; P465-L468 HydrophobicContact CB-CD1 3.75Å; P465-L468 HydrophobicContact CB-CG 4.33Å; P465-L468 HydrophobicContact CG-CD1 3.82Å; P465-L468 VanDerWaalsContact O-CB 3.29Å; P465-L468 WeakPolarHBondContact O-CB 3.49Å; P465-L468 PolarHBondContact O-N 3.29Å; P465-I493 WeakPolarHBondContact CD-O 3.39Å; P465-F550 HydrophobicContact CG-CZ 4.46Å | ||
| 466 | N | 68.3 | Low | 69 | Low | 78 Ų | 78 | 58.6 Ų | 58.6 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -58.8 | -36.1 | -167.7 | -72.5 | -5.2 | 0 | 0 | 0 | 114.3 | I464 L468 N469 | I464-N466 PolarHBondContact O-N 3.12Å; N466-L468 PolarHBondContact O-N 3.24Å; N466-N469 PolarHBondContact O-N 3.46Å; N466-N469 VanDerWaalsContact O-N 3.1Å |
| 467 | Y | 67.2 | Low | 67.3 | Low | 24 Ų | 24 | 64.1 Ų | 64.1 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -62.8 | -10 | 178.2 | 69 | -92.8 | 0 | 0 | 0 | 113.9 | P465 N492 F558 Y1521 | P465-Y467 VanDerWaalsContact C-N 3.31Å; P465-Y467 HydrophobicContact CB-CD1 3.81Å; P465-Y467 HydrophobicContact CB-CE1 3.37Å; P465-Y467 HydrophobicContact CG-CE1 4.31Å; P465-Y467 PolarHBondContact O-N 2.57Å; Y467-N492 WeakPolarHBondContact CD1-OD1 3.24Å; Y467-N492 HydrophobicContact CE1-CB 4.33Å; Y467-N492 WeakPolarHBondContact CE1-OD1 3.41Å; Y467-F558 HydrophobicContact CD2-CE1 4.22Å; Y467-F558 AromaticContact CD2-CZ 3.85Å; Y467-F558 HydrophobicContact CD2-CZ 3.85Å; Y467-F558 HydrophobicContact CE1-CZ 4.32Å; Y467-F558 HydrophobicContact CE2-CE1 4.1Å; Y467-F558 AromaticContact CE2-CE2 3.73Å; Y467-F558 HydrophobicContact CE2-CE2 3.73Å; Y467-F558 AromaticContact CE2-CZ 3.33Å; Y467-F558 HydrophobicContact CE2-CZ 3.33Å; Y467-F558 AromaticContact CZ-CE2 3.93Å; Y467-F558 AromaticContact CZ-CZ 3.62Å; Y467-Y1521 PolarHBondContact OH-OH 3.38Å |
| 468 | L | 66.3 | Low | 65.4 | Low | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -92.5 | -17.2 | 178.6 | -58.3 | 164.5 | 0 | 0 | 0 | 113.2 | F298 I464 P465 N466 F550 K557 | F298-L468 HydrophobicContact CE1-CD1 4Å; F298-L468 HydrophobicContact CE2-CB 4.46Å; F298-L468 HydrophobicContact CE2-CD1 4.25Å; F298-L468 HydrophobicContact CE2-CD2 4.01Å; F298-L468 HydrophobicContact CE2-CG 4.48Å; F298-L468 HydrophobicContact CZ-CB 4.43Å; F298-L468 HydrophobicContact CZ-CD1 3.63Å; F298-L468 HydrophobicContact CZ-CD2 4.22Å; F298-L468 HydrophobicContact CZ-CG 4.32Å; I464-L468 HydrophobicContact CG2-CB 4.04Å; I464-L468 HydrophobicContact CG2-CD1 3.89Å; P465-L468 HydrophobicContact CB-CD1 3.75Å; P465-L468 HydrophobicContact CB-CG 4.33Å; P465-L468 HydrophobicContact CG-CD1 3.82Å; P465-L468 VanDerWaalsContact O-CB 3.29Å; P465-L468 WeakPolarHBondContact O-CB 3.49Å; P465-L468 PolarHBondContact O-N 3.29Å; N466-L468 PolarHBondContact O-N 3.24Å; L468-F550 HydrophobicContact CD1-CE2 4.07Å; L468-K557 HydrophobicContact CD2-CD 3.53Å; L468-K557 PolarHBondContact O-NZ 2.58Å |
| 469 | N | 61.4 | Low | 63.6 | Low | 83 Ų | 83 | 73.8 Ų | 73.8 | 44% | 0.444 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -15.7 | -171.4 | -72.8 | -18.5 | 0 | 0 | 0 | 114.5 | N466 T471 | N466-N469 PolarHBondContact O-N 3.46Å; N466-N469 VanDerWaalsContact O-N 3.1Å; N469-T471 PolarHBondContact O-N 3.26Å; N469-T471 VanDerWaalsContact O-N 3.08Å |
| 470 | H | 55.3 | Low | 61.7 | Low | 138 Ų | 138 | 76.6 Ų | 76.6 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | trans | -76.6 | 97.8 | -179.4 | -81.7 | -79.8 | 0 | 0 | 0 | 111.5 | T472 | H470-T472 PolarHBondContact O-N 3.06Š| ||
| 471 | T | 50.2 | Low | 60.1 | Low | 120 Ų | 120 | 79.5 Ų | 79.5 | 74% | 0.736 | 45% | 0.445 | S | S | * | . | trans | -82.2 | 43.5 | -178.8 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | N469 | N469-T471 PolarHBondContact O-N 3.26Å; N469-T471 VanDerWaalsContact O-N 3.08Å | ||
| 472 | T | 44.9 | Very low | 58.7 | Low | 88 Ų | 88 | 81.5 Ų | 81.5 | 54% | 0.54 | 46% | 0.46 | S | S | . | . | trans | -109.8 | 93.6 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | H470 T474 | H470-T472 PolarHBondContact O-N 3.06Å; T472-T474 PolarHBondContact O-N 3.31Å | ||
| 473 | T | 47.9 | Very low | 57.7 | Low | 145 Ų | 145 | 79.8 Ų | 79.8 | 89% | 0.89 | 45% | 0.451 | S | S | * | . | trans | -77.5 | 43.2 | -178.8 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 474 | T | 41.3 | Very low | 56.7 | Low | 96 Ų | 96 | 77 Ų | 77 | 59% | 0.589 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -141.5 | 133 | -177.9 | 43 | 0 | 0 | 0 | 0 | 109.2 | T472 | T472-T474 PolarHBondContact O-N 3.31Š|
| 475 | D | 38.8 | Very low | 56 | Low | 127 Ų | 127 | 80.2 Ų | 80.2 | 68% | 0.679 | 46% | 0.455 | S | S | * | . | trans | 59.2 | 52.2 | 162.7 | -51.3 | -19.3 | 0 | 0 | 0 | 118.7 | T477 | D475-T477 PolarHBondContact O-N 2.85Š| ||
| 476 | I | 45.3 | Very low | 55.4 | Low | 126 Ų | 126 | 84 Ų | 84 | 65% | 0.646 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -8.6 | 163.8 | -65.1 | 175.9 | 0 | 0 | 0 | 112 | T478 | I476-T478 PolarHBondContact O-N 2.63Š|
| 477 | T | 49.6 | Very low | 55.2 | Low | 119 Ų | 119 | 80.6 Ų | 80.6 | 73% | 0.73 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.9 | -169 | 42.9 | 0 | 0 | 0 | 0 | 116.5 | D475 | D475-T477 PolarHBondContact O-N 2.85Š|
| 478 | T | 49.8 | Very low | 55.1 | Low | 105 Ų | 105 | 83.2 Ų | 83.2 | 64% | 0.644 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -119 | -24 | -169.1 | 50.3 | 0 | 0 | 0 | 0 | 115.6 | I476 | I476-T478 PolarHBondContact O-N 2.63Š|
| 479 | N | 52.4 | Low | 54.9 | Low | 100 Ų | 100 | 88.5 Ų | 88.5 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | trans | -114.5 | 46.8 | -170.7 | -74.3 | -30 | 0 | 0 | 0 | 113.9 | S481 S482 M483 | N479-S481 PolarHBondContact O-N 2.7Å; N479-S481 VanDerWaalsContact O-N 3.16Å; N479-S482 PolarHBondContact O-N 3.2Å; N479-S482 PolarHBondContact O-OG 2.96Å; N479-M483 PolarHBondContact O-N 3.32Å | ||
| 480 | N | 54 | Low | 55 | Low | 59 Ų | 59 | 85.4 Ų | 85.4 | 32% | 0.316 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -52.1 | -35.5 | 176.7 | -78.8 | -17.4 | 0 | 0 | 0 | 113.3 | M483 L484 | N480-M483 PolarHBondContact O-N 3.48Å; N480-L484 PolarHBondContact O-N 3.05Å |
| 481 | S | 57.6 | Low | 55.4 | Low | 73 Ų | 73 | 80.5 Ų | 80.5 | 51% | 0.51 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -54.9 | -50.5 | 174 | 46 | 0 | 0 | 0 | 0 | 112.2 | N479 M483 L484 D485 | N479-S481 PolarHBondContact O-N 2.7Å; N479-S481 VanDerWaalsContact O-N 3.16Å; S481-M483 VanDerWaalsContact C-N 3.28Å; S481-M483 PolarHBondContact O-N 3.3Å; S481-L484 WeakPolarHBondContact O-CA 3.35Å; S481-L484 WeakPolarHBondContact O-CB 3.09Å; S481-L484 PolarHBondContact O-N 3.23Å; S481-L484 VanDerWaalsContact O-N 3.07Å; S481-D485 PolarHBondContact O-N 3.43Å |
| 482 | S | 60.9 | Low | 56.5 | Low | 51 Ų | 51 | 74.9 Ų | 74.9 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -32.7 | -179.1 | 73.9 | 0 | 0 | 0 | 0 | 113.3 | N479 Q486 | N479-S482 PolarHBondContact O-N 3.2Å; N479-S482 PolarHBondContact O-OG 2.96Å; S482-Q486 WeakPolarHBondContact O-CB 3.3Å; S482-Q486 WeakPolarHBondContact O-CG 3.42Å; S482-Q486 PolarHBondContact O-N 3.47Å |
| 483 | M | 62.2 | Low | 58.1 | Low | 40 Ų | 40 | 70.8 Ų | 70.8 | 20% | 0.197 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.2 | -41 | 174.8 | -160.8 | -171.9 | -153.5 | 0 | 0 | 110.6 | N479 N480 S481 Q486 I487 F558 | N479-M483 PolarHBondContact O-N 3.32Å; N480-M483 PolarHBondContact O-N 3.48Å; S481-M483 VanDerWaalsContact C-N 3.28Å; S481-M483 PolarHBondContact O-N 3.3Å; M483-Q486 PolarHBondContact O-N 2.77Å; M483-I487 HydrophobicContact CG-CD1 4.14Å; M483-I487 WeakPolarHBondContact O-CD1 3.16Å; M483-I487 WeakPolarHBondContact O-CG1 3.24Å; M483-I487 PolarHBondContact O-N 2.88Å; M483-F558 HydrophobicContact CE-CD1 3.84Å; M483-F558 HydrophobicContact CE-CE1 3.75Å; M483-F558 HydrophobicContact SD-CD1 4.45Å; M483-F558 HydrophobicContact SD-CE1 4.45Å |
| 484 | L | 63.9 | Low | 59.9 | Low | 17 Ų | 17 | 63.9 Ų | 63.9 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.7 | -132.1 | 157.7 | 0 | 0 | 0 | 111 | N480 S481 Q486 I487 I488 M1529 L1532 N1533 | N480-L484 PolarHBondContact O-N 3.05Å; S481-L484 WeakPolarHBondContact O-CA 3.35Å; S481-L484 WeakPolarHBondContact O-CB 3.09Å; S481-L484 PolarHBondContact O-N 3.23Å; S481-L484 VanDerWaalsContact O-N 3.07Å; L484-Q486 PolarHBondContact O-N 2.75Å; L484-I487 PolarHBondContact O-N 3.16Å; L484-I488 HydrophobicContact CD2-CD1 3.62Å; L484-I488 HydrophobicContact CD2-CG1 4.29Å; L484-I488 WeakPolarHBondContact O-CG1 3.27Å; L484-I488 PolarHBondContact O-N 2.88Å; L484-M1529 HydrophobicContact CD2-CE 3.64Å; L484-M1529 HydrophobicContact CD2-SD 4.13Å; L484-L1532 HydrophobicContact CD1-CB 3.95Å; L484-L1532 HydrophobicContact CG-CB 4.34Å; L484-N1533 WeakPolarHBondContact CD1-OD1 3.37Å |
| 485 | D | 63.1 | Low | 62.1 | Low | 88 Ų | 88 | 59.8 Ų | 59.8 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 173.8 | -75.2 | -40.6 | 0 | 0 | 0 | 112.3 | S481 N489 | S481-D485 PolarHBondContact O-N 3.43Å; D485-N489 WeakPolarHBondContact O-CB 3.5Å; D485-N489 PolarHBondContact O-N 2.78Å; D485-N489 PolarHBondContact O-ND2 3.22Å |
| 486 | Q | 63.2 | Low | 64.6 | Low | 79 Ų | 79 | 53.9 Ų | 53.9 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 173.2 | -76.5 | 175.2 | 19 | 0 | 0 | 112.2 | S482 M483 L484 S490 | S482-Q486 WeakPolarHBondContact O-CB 3.3Å; S482-Q486 WeakPolarHBondContact O-CG 3.42Å; S482-Q486 PolarHBondContact O-N 3.47Å; M483-Q486 PolarHBondContact O-N 2.77Å; L484-Q486 PolarHBondContact O-N 2.75Å; Q486-S490 WeakPolarHBondContact O-CB 3.5Å; Q486-S490 PolarHBondContact O-N 3.06Å; Q486-S490 VanDerWaalsContact O-N 3.07Å; Q486-S490 PolarHBondContact O-OG 2.92Å |
| 487 | I | 64.5 | Low | 66.8 | Low | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.7 | -35.8 | 178 | -64.4 | 158 | 0 | 0 | 0 | 111.5 | M483 L484 N492 F558 M1529 L1532 | M483-I487 HydrophobicContact CG-CD1 4.14Å; M483-I487 WeakPolarHBondContact O-CD1 3.16Å; M483-I487 WeakPolarHBondContact O-CG1 3.24Å; M483-I487 PolarHBondContact O-N 2.88Å; L484-I487 PolarHBondContact O-N 3.16Å; I487-N492 WeakPolarHBondContact CA-ND2 3.35Å; I487-N492 PolarHBondContact O-ND2 3.42Å; I487-F558 HydrophobicContact CD1-CE1 3.8Å; I487-F558 HydrophobicContact CD1-CZ 4.32Å; I487-F558 HydrophobicContact CG1-CE1 4.37Å; I487-M1529 HydrophobicContact CB-SD 4.07Å; I487-M1529 HydrophobicContact CD1-SD 4.47Å; I487-M1529 HydrophobicContact CG2-CG 4.24Å; I487-M1529 HydrophobicContact CG2-SD 3.49Å; I487-M1529 WeakPolarHBondContact CG2-SD 3.13Å; I487-L1532 HydrophobicContact CD1-CD1 3.73Å |
| 488 | I | 64 | Low | 68.8 | Low | 78 Ų | 78 | 42.4 Ų | 42.4 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -76.2 | -50.7 | 177.5 | -66.9 | 170.5 | 0 | 0 | 0 | 111.5 | L484 M1529 | L484-I488 HydrophobicContact CD2-CD1 3.62Å; L484-I488 HydrophobicContact CD2-CG1 4.29Å; L484-I488 WeakPolarHBondContact O-CG1 3.27Å; L484-I488 PolarHBondContact O-N 2.88Å; I488-M1529 HydrophobicContact CD1-CE 3.92Å; I488-M1529 HydrophobicContact CG1-CE 3.58Å |
| 489 | N | 62.4 | Low | 70.8 | Confident | 119 Ų | 119 | 37.8 Ų | 37.8 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -95.8 | -18.4 | -165 | -57.7 | -62.4 | 0 | 0 | 0 | 114.3 | D485 | D485-N489 WeakPolarHBondContact O-CB 3.5Å; D485-N489 PolarHBondContact O-N 2.78Å; D485-N489 PolarHBondContact O-ND2 3.22Å |
| 490 | S | 64.2 | Low | 72.5 | Confident | 19 Ų | 19 | 33 Ų | 33 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -99.6 | 147.3 | 178.5 | 90.2 | 0 | 0 | 0 | 0 | 112.6 | Q486 N492 | Q486-S490 WeakPolarHBondContact O-CB 3.5Å; Q486-S490 PolarHBondContact O-N 3.06Å; Q486-S490 VanDerWaalsContact O-N 3.07Å; Q486-S490 PolarHBondContact O-OG 2.92Å; S490-N492 PolarHBondContact O-N 3.4Å; S490-N492 VanDerWaalsContact O-N 3.11Å; S490-N492 PolarHBondContact O-ND2 3.2Å |
| 491 | P | 62.3 | Low | 73.9 | Confident | 34 Ų | 34 | 30.3 Ų | 30.3 | 22% | 0.221 | 17% | 0.171 | C | C | . | . | trans | -75.9 | 102.6 | -174.8 | 30.2 | -35.4 | 0 | 0 | 0 | 111.9 | I493 L1368 | P491-I493 HydrophobicContact CB-CD1 4.29Å; P491-I493 HydrophobicContact CB-CG1 4.43Å; P491-I493 PolarHBondContact O-N 3.24Å; P491-L1368 HydrophobicContact CB-CD1 3.72Å; P491-L1368 HydrophobicContact CB-CD2 3.59Å; P491-L1368 HydrophobicContact CB-CG 4.22Å; P491-L1368 HydrophobicContact CG-CD2 4.01Å | ||
| 492 | N | 73.9 | Confident | 74.9 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 65.3 | -178.3 | -66.4 | -48.6 | 0 | 0 | 0 | 111.4 | Y467 I487 S490 N1553 S1554 G1555 | Y467-N492 WeakPolarHBondContact CD1-OD1 3.24Å; Y467-N492 HydrophobicContact CE1-CB 4.33Å; Y467-N492 WeakPolarHBondContact CE1-OD1 3.41Å; I487-N492 WeakPolarHBondContact CA-ND2 3.35Å; I487-N492 PolarHBondContact O-ND2 3.42Å; S490-N492 PolarHBondContact O-N 3.4Å; S490-N492 VanDerWaalsContact O-N 3.11Å; S490-N492 PolarHBondContact O-ND2 3.2Å; N492-N1553 PolarHBondContact N-O 3.34Å; N492-S1554 WeakPolarHBondContact O-CA 3.42Å; N492-G1555 PolarHBondContact O-N 3.08Å; N492-G1555 VanDerWaalsContact O-N 3.13Å |
| 493 | I | 78.2 | Confident | 75.6 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.8 | -173.9 | -60.3 | 178 | 0 | 0 | 0 | 110.2 | P465 P491 I1364 L1368 G1555 I1557 | P465-I493 WeakPolarHBondContact CD-O 3.39Å; P491-I493 HydrophobicContact CB-CD1 4.29Å; P491-I493 HydrophobicContact CB-CG1 4.43Å; P491-I493 PolarHBondContact O-N 3.24Å; I493-I1364 HydrophobicContact CD1-CG2 3.98Å; I493-L1368 HydrophobicContact CD1-CB 3.88Å; I493-L1368 HydrophobicContact CD1-CD1 4.33Å; I493-G1555 WeakPolarHBondContact CA-O 3.39Å; I493-I1557 HydrophobicContact CG2-CD1 3.57Å; I493-I1557 HydrophobicContact CG2-CG1 4.04Å |
| 494 | L | 86.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.2 | 165.4 | -178 | 70.4 | 0 | 0 | 0 | 108.8 | I496 F550 G1555 I1556 I1557 | L494-I496 HydrophobicContact CD2-CD1 3.69Å; L494-I496 HydrophobicContact CD2-CG1 4.45Å; L494-I496 HydrophobicContact CG-CD1 3.96Å; L494-I496 HydrophobicContact CG-CG1 4.19Å; L494-F550 HydrophobicContact CB-CE1 4.49Å; L494-F550 HydrophobicContact CB-CE2 4.46Å; L494-F550 HydrophobicContact CB-CZ 4.13Å; L494-F550 HydrophobicContact CD1-CD2 4.32Å; L494-F550 HydrophobicContact CD1-CE2 4.05Å; L494-F550 HydrophobicContact CD2-CB 4.37Å; L494-F550 HydrophobicContact CD2-CD1 3.72Å; L494-F550 HydrophobicContact CD2-CD2 3.68Å; L494-F550 HydrophobicContact CD2-CE1 3.83Å; L494-F550 HydrophobicContact CD2-CE2 3.79Å; L494-F550 HydrophobicContact CD2-CG 3.64Å; L494-F550 HydrophobicContact CD2-CZ 3.86Å; L494-F550 HydrophobicContact CG-CE2 4.33Å; L494-F550 HydrophobicContact CG-CZ 4.41Å; L494-G1555 PolarHBondContact N-O 2.91Å; L494-G1555 VanDerWaalsContact N-O 3.13Å; L494-I1556 HydrophobicContact CB-CG1 4.38Å; L494-I1556 HydrophobicContact CD2-CG2 4.23Å; L494-I1557 PolarHBondContact O-N 2.87Å |
| 495 | S | 88.2 | Confident | 77.5 | Confident | 11 Ų | 11 | 25 Ų | 25 | 8% | 0.077 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.7 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | N462 Q463 I1557 | N462-S495 PolarHBondContact N-O 3.46Å; Q463-S495 PolarHBondContact N-O 3.36Å; Q463-S495 PolarHBondContact O-N 3.21Å; S495-I1557 WeakPolarHBondContact CA-O 3.28Å |
| 496 | I | 91.3 | Very high | 78.2 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.6 | -177.4 | -61.1 | 154.7 | 0 | 0 | 0 | 109.1 | I459 I460 F461 L494 L498 L546 I1557 V1558 A1559 | I459-I496 HydrophobicContact CG2-CG2 3.96Å; I460-I496 CarbonylContact O-C 3.45Å; I460-I496 WeakPolarHBondContact O-CA 3.09Å; F461-I496 HydrophobicContact CD1-CG1 3.94Å; F461-I496 HydrophobicContact CE1-CD1 4.46Å; F461-I496 HydrophobicContact CE1-CG1 4.23Å; L494-I496 HydrophobicContact CD2-CD1 3.69Å; L494-I496 HydrophobicContact CD2-CG1 4.45Å; L494-I496 HydrophobicContact CG-CD1 3.96Å; L494-I496 HydrophobicContact CG-CG1 4.19Å; I496-L498 HydrophobicContact CG2-CD2 4.12Å; I496-L498 HydrophobicContact CG2-CG 4.3Å; I496-L546 HydrophobicContact CD1-CD1 4.21Å; I496-L546 HydrophobicContact CD1-CD2 3.51Å; I496-L546 HydrophobicContact CG2-CD1 4.13Å; I496-I1557 PolarHBondContact N-O 3.41Å; I496-V1558 CarbonylContact O-C 3.36Å; I496-A1559 PolarHBondContact O-N 3.48Å |
| 497 | T | 91.6 | Very high | 78.7 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.7 | 166.3 | 23.1 | 0 | 0 | 0 | 0 | 110.5 | I460 N462 K1306 A1559 H1561 | I460-T497 WeakPolarHBondContact CB-OG1 3.48Å; I460-T497 PolarHBondContact N-O 3.13Å; I460-T497 PolarHBondContact O-N 2.95Å; N462-T497 PolarHBondContact ND2-N 3.49Å; N462-T497 PolarHBondContact ND2-OG1 2.91Å; N462-T497 PolarHBondContact OD1-OG1 2.96Å; T497-K1306 HydrophobicContact CG2-CB 4.3Å; T497-K1306 HydrophobicContact CG2-CD 4.19Å; T497-A1559 CarbonylContact C-O 3.47Å; T497-A1559 WeakPolarHBondContact CA-O 3.45Å; T497-A1559 HydrophobicContact CG2-CB 3.56Å; T497-H1561 HydrophobicContact CG2-CB 4.37Å |
| 498 | L | 91.8 | Very high | 79.2 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.4 | 173.4 | -64.9 | 178.3 | 0 | 0 | 0 | 110.1 | G458 I459 I496 F539 I542 L546 V1558 A1559 H1561 | G458-L498 CarbonylContact O-C 3.58Å; G458-L498 WeakPolarHBondContact O-CA 3.49Å; I459-L498 HydrophobicContact CB-CD2 4.25Å; I459-L498 HydrophobicContact CG1-CD2 3.74Å; I459-L498 HydrophobicContact CG2-CD2 4.22Å; I496-L498 HydrophobicContact CG2-CD2 4.12Å; I496-L498 HydrophobicContact CG2-CG 4.3Å; L498-F539 HydrophobicContact CB-CD2 4.16Å; L498-F539 HydrophobicContact CB-CE2 3.48Å; L498-F539 VanDerWaalsContact CB-CE2 3.48Å; L498-F539 HydrophobicContact CB-CZ 3.86Å; L498-F539 HydrophobicContact CD1-CD1 4.17Å; L498-F539 HydrophobicContact CD1-CD2 4.16Å; L498-F539 HydrophobicContact CD1-CE1 3.76Å; L498-F539 HydrophobicContact CD1-CE2 3.81Å; L498-F539 HydrophobicContact CD1-CG 4.35Å; L498-F539 HydrophobicContact CD1-CZ 3.59Å; L498-F539 HydrophobicContact CG-CE2 4.26Å; L498-F539 HydrophobicContact CG-CZ 4.25Å; L498-I542 HydrophobicContact CD1-CG2 4.25Å; L498-I542 HydrophobicContact CD2-CG2 4.04Å; L498-L546 HydrophobicContact CD2-CD1 4.5Å; L498-V1558 HydrophobicContact CD1-CG1 4.29Å; L498-A1559 PolarHBondContact N-O 2.89Å; L498-H1561 PolarHBondContact O-N 2.97Å |
| 499 | R | 90.4 | Very high | 79.1 | Confident | 8 Ų | 8 | 17.9 Ų | 17.9 | 3% | 0.03 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.8 | -179.9 | -52.2 | -162.2 | 72.2 | -177 | 0.9 | 111.5 | Y438 G458 I460 H1561 P1562 | Y438-R499 PolarHBondContact OH-NH1 2.89Å; G458-R499 PolarHBondContact N-O 3.38Å; G458-R499 PolarHBondContact O-N 2.77Å; I460-R499 HydrophobicContact CD1-CG 4.04Å; R499-H1561 VanDerWaalsContact CA-O 3.27Å; R499-H1561 WeakPolarHBondContact CA-O 3.33Å; R499-H1561 WeakPolarHBondContact CB-O 3.37Å; R499-H1561 HydrophobicContact CG-CB 4.33Å; R499-H1561 WeakPolarHBondContact CG-O 3.48Å; R499-H1561 PolarHBondContact NE-ND1 3.35Å; R499-H1561 PolarHBondContact NE-O 3.43Å; R499-H1561 PolarHBondContact NH2-CE1 3.28Å; R499-P1562 PolarHBondContact NH2-O 2.7Å |
| 500 | N | 87.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -153.1 | 168.6 | 177.5 | -160.9 | -13.9 | 0 | 0 | 0 | 109.5 | I505 L1563 | N500-I505 HydrophobicContact CB-CD1 3.39Å; N500-I505 HydrophobicContact CB-CG1 3.92Å; N500-L1563 PolarHBondContact O-N 2.69Å | ||
| 501 | N | 83.4 | Confident | 78.3 | Confident | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.011 | 9% | 0.093 | C | C | . | . | trans | -58 | 132.8 | 170.8 | -179.9 | -39.3 | 0 | 0 | 0 | 110 | Q449 L503 F504 | Q449-N501 HydrophobicContact CG-CB 4.11Å; Q449-N501 WeakPolarHBondContact CG-ND2 3.49Å; Q449-N501 PolarHBondContact O-ND2 3.01Å; Q449-N501 VanDerWaalsContact O-ND2 3.09Å; N501-L503 PolarHBondContact O-N 2.85Å; N501-L503 WeakPolarHBondContact OD1-CB 3.35Å; N501-L503 WeakPolarHBondContact OD1-CG 3.22Å; N501-L503 PolarHBondContact OD1-N 3.07Å; N501-F504 HydrophobicContact CB-CD2 4.11Å; N501-F504 PolarHBondContact O-N 3.45Å | ||
| 502 | P | 78.3 | Confident | 77.8 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 4% | 0.039 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -7.4 | -177.4 | 26.1 | -36 | 0 | 0 | 0 | 115.3 | F504 I505 K533 P1562 L1563 Y1565 | P502-F504 VanDerWaalsContact C-N 3.34Å; P502-I505 VanDerWaalsContact O-O 3.08Å; P502-K533 PolarHBondContact O-NZ 3.47Å; P502-P1562 HydrophobicContact CB-CB 4.24Å; P502-L1563 WeakPolarHBondContact CD-O 3.16Å; P502-Y1565 HydrophobicContact CB-CD1 4.28Å; P502-Y1565 HydrophobicContact CB-CE1 3.61Å; P502-Y1565 HydrophobicContact CG-CD1 3.56Å; P502-Y1565 HydrophobicContact CG-CE1 3.42Å; P502-Y1565 VanDerWaalsContact CG-CE1 3.42Å; P502-Y1565 HydrophobicContact CG-CE2 4.48Å; P502-Y1565 HydrophobicContact CG-CG 4.18Å |
| 503 | L | 76.9 | Confident | 76.7 | Confident | 61 Ų | 61 | 24.8 Ų | 24.8 | 32% | 0.319 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -44.1 | 163.6 | -70.4 | 171.8 | 0 | 0 | 0 | 111.4 | L452 N501 K533 I1569 | L452-L503 HydrophobicContact CD1-CD1 4.22Å; L452-L503 HydrophobicContact CD2-CD1 3.59Å; N501-L503 PolarHBondContact O-N 2.85Å; N501-L503 WeakPolarHBondContact OD1-CB 3.35Å; N501-L503 WeakPolarHBondContact OD1-CG 3.22Å; N501-L503 PolarHBondContact OD1-N 3.07Å; L503-K533 WeakPolarHBondContact O-CE 3.49Å; L503-K533 PolarHBondContact O-NZ 3.42Å; L503-I1569 HydrophobicContact CD1-CD1 3.82Å; L503-I1569 HydrophobicContact CD2-CD1 3.94Å; L503-I1569 HydrophobicContact CG-CD1 3.69Å |
| 504 | F | 81.4 | Confident | 75.5 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -7 | -170.1 | -61 | -54.8 | 0 | 0 | 0 | 114.2 | S455 N501 P502 S537 | S455-F504 WeakPolarHBondContact OG-CE2 3.22Å; N501-F504 HydrophobicContact CB-CD2 4.11Å; N501-F504 PolarHBondContact O-N 3.45Å; P502-F504 VanDerWaalsContact C-N 3.34Å; F504-S537 VanDerWaalsContact O-CB 3.25Å; F504-S537 WeakPolarHBondContact O-CB 3.43Å |
| 505 | I | 83.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -129 | 167.6 | 179 | -68.8 | -173.8 | 0 | 0 | 0 | 110 | N500 P502 K533 Y534 F539 T1560 | N500-I505 HydrophobicContact CB-CD1 3.39Å; N500-I505 HydrophobicContact CB-CG1 3.92Å; P502-I505 VanDerWaalsContact O-O 3.08Å; I505-K533 VanDerWaalsContact O-CD 3.27Å; I505-K533 WeakPolarHBondContact O-CD 3.44Å; I505-K533 PolarHBondContact O-NZ 2.88Å; I505-Y534 HydrophobicContact CG2-CE1 4.18Å; I505-F539 HydrophobicContact CD1-CD2 3.56Å; I505-F539 HydrophobicContact CD1-CE2 3.87Å; I505-F539 HydrophobicContact CG1-CD2 4.37Å; I505-T1560 VanDerWaalsContact CG2-OG1 3.24Å; I505-T1560 WeakPolarHBondContact CG2-OG1 3.42Å |
| 506 | Y | 79 | Confident | 73.1 | Confident | 22 Ų | 22 | 33.1 Ų | 33.1 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | trans | -78.5 | 152.3 | 173.3 | -70.5 | -77.5 | 0 | 0 | 0 | 113 | N530 D531 K533 Y534 Y1506 | Y506-N530 VanDerWaalsContact CE1-O 3.3Å; Y506-N530 WeakPolarHBondContact CE1-O 3.28Å; Y506-N530 PolarHBondContact OH-O 2.75Å; Y506-D531 VanDerWaalsContact OH-CA 3.27Å; Y506-D531 WeakPolarHBondContact OH-CA 3.41Å; Y506-D531 PolarHBondContact OH-O 2.87Å; Y506-K533 HydrophobicContact CD1-CD 4.32Å; Y506-K533 HydrophobicContact CD2-CB 4.22Å; Y506-K533 HydrophobicContact CE1-CD 4.08Å; Y506-K533 HydrophobicContact CE1-CG 4.27Å; Y506-K533 HydrophobicContact CE2-CB 3.62Å; Y506-K533 HydrophobicContact CE2-CD 4.33Å; Y506-K533 HydrophobicContact CE2-CG 4.13Å; Y506-K533 HydrophobicContact CG-CD 4.49Å; Y506-K533 PolarHBondContact OH-N 2.92Å; Y506-Y534 AromaticContact CD2-CD2 3.84Å; Y506-Y534 HydrophobicContact CD2-CD2 3.84Å; Y506-Y534 AromaticContact CD2-CE2 3.4Å; Y506-Y534 HydrophobicContact CD2-CE2 3.4Å; Y506-Y534 VanDerWaalsContact CD2-CE2 3.4Å; Y506-Y534 AromaticContact CD2-CZ 3.87Å; Y506-Y534 AromaticContact CE2-CD2 3.82Å; Y506-Y534 HydrophobicContact CE2-CD2 3.82Å; Y506-Y534 AromaticContact CE2-CE2 3.86Å; Y506-Y534 HydrophobicContact CE2-CE2 3.86Å; Y506-Y1506 HydrophobicContact CE1-CD1 4.2Å; Y506-Y1506 HydrophobicContact CE1-CG 4.24Å; Y506-Y1506 AromaticContact CZ-CD1 3.94Å | ||
| 507 | E | 73.8 | Confident | 71.5 | Confident | 50 Ų | 50 | 34.4 Ų | 34.4 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | trans | -72.3 | 138.3 | 169.9 | -57.8 | -160.8 | -151.7 | 0 | 0 | 110.8 | N509 Q1304 Y1565 K1573 | E507-N509 PolarHBondContact OE2-ND2 2.99Å; E507-Q1304 VanDerWaalsContact CD-NE2 3.34Å; E507-Q1304 PolarHBondContact OE2-NE2 3.28Å; E507-Y1565 WeakPolarHBondContact CG-OH 3.49Å; E507-Y1565 PolarHBondContact OE1-OH 3.31Å; E507-Y1565 PolarHBondContact OE2-OH 2.77Å; E507-K1573 IonicContact OE1-NZ 2.74Å; E507-K1573 PolarHBondContact OE1-NZ 3.43Å; E507-K1573 IonicContact OE2-NZ 2.72Å; E507-K1573 PolarHBondContact OE2-NZ 3.03Å | ||
| 508 | T | 73.6 | Confident | 69.7 | Low | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -102.3 | -2.8 | -177.5 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | P1305 M1307 T1560 | T508-P1305 WeakPolarHBondContact CB-O 3.16Å; T508-P1305 PolarHBondContact OG1-O 3.2Å; T508-M1307 HydrophobicContact CG2-CB 3.82Å; T508-M1307 HydrophobicContact CG2-CE 4.28Å; T508-T1560 HydrophobicContact CG2-CG2 4.12Å | ||
| 509 | N | 62.4 | Low | 67.8 | Low | 31 Ų | 31 | 40.5 Ų | 40.5 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -38.9 | -176.1 | 50.9 | 12.8 | 0 | 0 | 0 | 113.8 | E507 I1303 Q1304 | E507-N509 PolarHBondContact OE2-ND2 2.99Å; N509-I1303 VanDerWaalsContact CB-O 3.27Å; N509-I1303 WeakPolarHBondContact CB-O 3.37Å; N509-Q1304 HydrophobicContact CB-CG 4.16Å |
| 510 | N | 56.6 | Low | 66.2 | Low | 59 Ų | 59 | 43.2 Ų | 43.2 | 32% | 0.316 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 75 | 177.9 | -74.2 | -64.6 | 0 | 0 | 0 | 111 | N512 H513 Y514 | N510-N512 PolarHBondContact O-N 3.2Å; N510-H513 HydrophobicContact CB-CB 4.04Å; N510-H513 PolarHBondContact O-N 3.1Å; N510-Y514 HydrophobicContact CB-CD2 3.97Å; N510-Y514 HydrophobicContact CB-CE2 4.19Å; N510-Y514 PolarHBondContact O-N 3.24Å; N510-Y514 VanDerWaalsContact O-N 3.16Å |
| 511 | I | 54.4 | Low | 65.1 | Low | 75 Ų | 75 | 45.2 Ų | 45.2 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -39 | -65.1 | 177.4 | -63.9 | 176.7 | 0 | 0 | 0 | 110.6 | H513 Y514 I515 | I511-H513 VanDerWaalsContact C-N 3.35Å; I511-H513 PolarHBondContact O-N 3.05Å; I511-Y514 PolarHBondContact O-N 3.42Å; I511-I515 HydrophobicContact CG2-CD1 3.49Å; I511-I515 VanDerWaalsContact CG2-CD1 3.49Å; I511-I515 HydrophobicContact CG2-CG1 4.45Å; I511-I515 WeakPolarHBondContact O-CD1 3.28Å; I511-I515 WeakPolarHBondContact O-CG1 3.34Å; I511-I515 PolarHBondContact O-N 3.39Å; I511-I515 VanDerWaalsContact O-N 3.17Å |
| 512 | N | 50.6 | Low | 64.2 | Low | 108 Ų | 108 | 48 Ų | 48 | 58% | 0.578 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -55 | -42.3 | -178.5 | -71.8 | 23.5 | 0 | 0 | 0 | 114.9 | N510 E725 | N510-N512 PolarHBondContact O-N 3.2Å; N512-E725 VanDerWaalsContact CB-OE2 3.31Å; N512-E725 WeakPolarHBondContact CB-OE2 3.48Å; N512-E725 PolarHBondContact ND2-OE2 2.88Å |
| 513 | H | 49.9 | Very low | 64 | Low | 76 Ų | 76 | 50.4 Ų | 50.4 | 35% | 0.352 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -79.7 | -18.7 | -170.7 | -63.6 | -21.3 | 0 | 0 | 0 | 114.1 | N510 I511 E725 | N510-H513 HydrophobicContact CB-CB 4.04Å; N510-H513 PolarHBondContact O-N 3.1Å; I511-H513 VanDerWaalsContact C-N 3.35Å; I511-H513 PolarHBondContact O-N 3.05Å; H513-E725 IonicContact CE1-OE1 2.68Å; H513-E725 PolarHBondContact CE1-OE1 3.17Å; H513-E725 VanDerWaalsContact CE1-OE1 3.31Å; H513-E725 IonicContact ND1-OE1 3.15Å; H513-E725 PolarHBondContact ND1-OE1 3.46Å |
| 514 | Y | 54.8 | Low | 63.7 | Low | 112 Ų | 112 | 47.8 Ų | 47.8 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -115.1 | -4 | -178.3 | -70.6 | -68.4 | 0 | 0 | 0 | 114.9 | N510 I511 Y1506 | N510-Y514 HydrophobicContact CB-CD2 3.97Å; N510-Y514 HydrophobicContact CB-CE2 4.19Å; N510-Y514 PolarHBondContact O-N 3.24Å; N510-Y514 VanDerWaalsContact O-N 3.16Å; I511-Y514 PolarHBondContact O-N 3.42Å; Y514-Y1506 WeakPolarHBondContact O-CD2 3.36Å |
| 515 | I | 61.2 | Low | 63.6 | Low | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 168.8 | -69.3 | 156.8 | 0 | 0 | 0 | 111.3 | I511 I1313 M1314 G1505 Y1506 I1507 | I511-I515 HydrophobicContact CG2-CD1 3.49Å; I511-I515 VanDerWaalsContact CG2-CD1 3.49Å; I511-I515 HydrophobicContact CG2-CG1 4.45Å; I511-I515 WeakPolarHBondContact O-CD1 3.28Å; I511-I515 WeakPolarHBondContact O-CG1 3.34Å; I511-I515 PolarHBondContact O-N 3.39Å; I511-I515 VanDerWaalsContact O-N 3.17Å; I515-I1313 HydrophobicContact CB-CG2 4.38Å; I515-I1313 HydrophobicContact CD1-CG2 3.69Å; I515-I1313 HydrophobicContact CG1-CG2 3.67Å; I515-I1313 HydrophobicContact CG2-CG2 3.73Å; I515-M1314 HydrophobicContact CG2-CG 4.26Å; I515-G1505 CarbonylContact O-C 3.58Å; I515-G1505 WeakPolarHBondContact O-CA 3.23Å; I515-Y1506 PolarHBondContact O-N 2.77Å; I515-I1507 HydrophobicContact CB-CD1 4.5Å; I515-I1507 HydrophobicContact CG1-CD1 3.9Å |
| 516 | R | 62.6 | Low | 63.5 | Low | 63 Ų | 63 | 52.3 Ų | 52.3 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -137.4 | 147.7 | -168.2 | -177 | -179.5 | -177.7 | 150 | 9.7 | 110.9 | K518 T1316 Y1442 | R516-K518 PolarHBondContact O-N 3.22Å; R516-T1316 VanDerWaalsContact NH1-CG2 3.34Å; R516-Y1442 PolarHBondContact NH1-OH 3.05Å |
| 517 | S | 57.3 | Low | 63.5 | Low | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | trans | -59.4 | 125.8 | 172.3 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | L519 R1504 | S517-L519 PolarHBondContact O-N 3.24Å; S517-L519 VanDerWaalsContact O-N 3.14Å; S517-R1504 PolarHBondContact N-O 3.28Å | ||
| 518 | K | 52.8 | Low | 63.6 | Low | 95 Ų | 95 | 52 Ų | 52 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -64 | -16.6 | -174.7 | -175.4 | 167.7 | -177.6 | 168.1 | 0 | 114.8 | R516 R722 | R516-K518 PolarHBondContact O-N 3.22Å; K518-R722 PolarHBondContact NZ-O 3.44Å |
| 519 | L | 52.8 | Low | 63.5 | Low | 38 Ų | 38 | 57.1 Ų | 57.1 | 20% | 0.199 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -125.1 | 136.6 | 172.5 | -69.1 | 171.5 | 0 | 0 | 0 | 108.4 | S517 I521 I593 | S517-L519 PolarHBondContact O-N 3.24Å; S517-L519 VanDerWaalsContact O-N 3.14Å; L519-I521 HydrophobicContact CB-CD1 4.18Å; L519-I521 HydrophobicContact CB-CG1 3.85Å; L519-I521 PolarHBondContact O-N 3.19Å; L519-I593 HydrophobicContact CD1-CD1 4.5Å; L519-I593 HydrophobicContact CD2-CD1 4.12Å |
| 520 | S | 57.8 | Low | 64 | Low | 65 Ų | 65 | 59.7 Ų | 59.7 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | trans | -76.7 | 60.8 | 175.7 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 521 | I | 63.5 | Low | 64.9 | Low | 43 Ų | 43 | 57.7 Ų | 57.7 | 22% | 0.221 | 29% | 0.287 | C | S | . | . | trans | -73.5 | 137 | 173.8 | -54.9 | 175.7 | 0 | 0 | 0 | 107.7 | L519 M523 F585 V590 | L519-I521 HydrophobicContact CB-CD1 4.18Å; L519-I521 HydrophobicContact CB-CG1 3.85Å; L519-I521 PolarHBondContact O-N 3.19Å; I521-M523 HydrophobicContact CG2-CB 3.91Å; I521-M523 PolarHBondContact O-N 3.21Å; I521-F585 HydrophobicContact CG2-CD2 4.27Å; I521-F585 HydrophobicContact CG2-CE2 4.2Å; I521-V590 HydrophobicContact CD1-CG1 4.2Å; I521-V590 HydrophobicContact CD1-CG2 4.16Å | ||
| 522 | P | 64.2 | Low | 66.2 | Low | 60 Ų | 60 | 54.2 Ų | 54.2 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -76.6 | 49.2 | 175.7 | 34.2 | -37.7 | 0 | 0 | 0 | 112.1 | Y583 | P522-Y583 HydrophobicContact CG-CD2 4.2Å; P522-Y583 HydrophobicContact CG-CG 4.27Å; P522-Y583 WeakPolarHBondContact O-CD1 3.38Å; P522-Y583 WeakPolarHBondContact O-CD2 3.3Å |
| 523 | M | 73.7 | Confident | 67.8 | Low | 57 Ų | 57 | 50.7 Ų | 50.7 | 28% | 0.281 | 25% | 0.249 | S | C | . | . | trans | -107.1 | 143.3 | 179.4 | -169.1 | 178.6 | 78.3 | 0 | 0 | 109.7 | I521 N525 F585 | I521-M523 HydrophobicContact CG2-CB 3.91Å; I521-M523 PolarHBondContact O-N 3.21Å; M523-N525 VanDerWaalsContact C-N 3.29Å; M523-N525 WeakPolarHBondContact CE-OD1 3.32Å; M523-N525 PolarHBondContact O-N 3.11Å; M523-F585 HydrophobicContact SD-CE2 4.3Å | ||
| 524 | P | 72.5 | Confident | 69.5 | Low | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | trans | -64.8 | -24 | 179.7 | 19.3 | -31 | 0 | 0 | 0 | 115.4 | F71 R526 M577 T580 | F71-P524 HydrophobicContact CE2-CB 3.91Å; F71-P524 HydrophobicContact CZ-CB 3.7Å; F71-P524 HydrophobicContact CZ-CG 4.02Å; P524-R526 HydrophobicContact CG-CG 4.35Å; P524-M577 HydrophobicContact CB-CE 3.58Å; P524-M577 WeakPolarHBondContact O-CE 3.26Å; P524-T580 HydrophobicContact CB-CG2 3.86Å; P524-T580 HydrophobicContact CG-CG2 4.45Å | ||
| 525 | N | 78.3 | Confident | 71 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | trans | 56.7 | 80.9 | -163.9 | -59.2 | -7.7 | 0 | 0 | 0 | 111.3 | M523 D531 N1503 Y1506 | M523-N525 VanDerWaalsContact C-N 3.29Å; M523-N525 WeakPolarHBondContact CE-OD1 3.32Å; M523-N525 PolarHBondContact O-N 3.11Å; N525-D531 WeakPolarHBondContact CA-OD2 3.38Å; N525-D531 HydrophobicContact CB-CB 4.03Å; N525-N1503 HydrophobicContact CB-CB 4.46Å; N525-N1503 PolarHBondContact ND2-O 3.07Å; N525-N1503 VanDerWaalsContact ND2-O 3.1Å; N525-N1503 PolarHBondContact O-ND2 3.06Å; N525-Y1506 HydrophobicContact CB-CE1 4.33Å | ||
| 526 | R | 81.9 | Confident | 72.1 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | trans | -124.9 | 5 | -170.9 | 72.3 | 174.1 | -176.9 | 103.9 | 5 | 115.4 | F71 Y94 P524 P528 D531 | F71-R526 HydrophobicContact CE1-CB 4.2Å; F71-R526 HydrophobicContact CZ-CB 4.28Å; Y94-R526 PolarHBondContact O-NH1 3.39Å; P524-R526 HydrophobicContact CG-CG 4.35Å; R526-P528 WeakPolarHBondContact O-CD 3.45Å; R526-D531 PolarHBondContact N-OD2 2.93Å; R526-D531 VanDerWaalsContact N-OD2 3.08Å | ||
| 527 | D | 78.3 | Confident | 73.1 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 32% | 0.316 | 20% | 0.199 | S | C | . | . | trans | -67.3 | 118.8 | -177.3 | -178.6 | -6.3 | 0 | 0 | 0 | 111.4 | Q529 N530 D531 M532 | D527-Q529 PolarHBondContact O-N 3.28Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.26Å; D527-Q529 PolarHBondContact OD1-N 3.16Å; D527-N530 HydrophobicContact CB-CB 4.36Å; D527-N530 PolarHBondContact O-N 2.78Å; D527-N530 PolarHBondContact OD2-ND2 3.36Å; D527-D531 HydrophobicContact CB-CB 4.28Å; D527-D531 WeakPolarHBondContact CB-OD2 3.47Å; D527-D531 PolarHBondContact N-OD2 3.03Å; D527-D531 VanDerWaalsContact N-OD2 3.13Å; D527-D531 CarbonylContact O-C 3.58Å; D527-D531 WeakPolarHBondContact O-CA 3.33Å; D527-D531 PolarHBondContact O-N 3.49Å; D527-M532 PolarHBondContact O-N 3.42Å | ||
| 528 | P | 76.3 | Confident | 74.3 | Confident | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.045 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27 | 175.7 | 23.1 | -33.7 | 0 | 0 | 0 | 114.3 | Y94 I277 T278 R526 T536 | Y94-P528 HydrophobicContact CD2-CB 4.31Å; Y94-P528 HydrophobicContact CE2-CB 4.26Å; I277-P528 WeakPolarHBondContact CG2-O 3.37Å; T278-P528 HydrophobicContact CG2-CB 4.21Å; T278-P528 HydrophobicContact CG2-CG 3.71Å; R526-P528 WeakPolarHBondContact O-CD 3.45Å; P528-T536 HydrophobicContact CB-CG2 3.9Å; P528-T536 WeakPolarHBondContact O-CG2 3.36Å; P528-T536 PolarHBondContact O-OG1 3.33Å |
| 529 | Q | 71.9 | Confident | 76 | Confident | 108 Ų | 108 | 32.5 Ų | 32.5 | 51% | 0.505 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -36.2 | -179.7 | -176.5 | 169.6 | -8.8 | 0 | 0 | 113 | I277 D527 | I277-Q529 HydrophobicContact CD1-CG 4.02Å; D527-Q529 PolarHBondContact O-N 3.28Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.26Å; D527-Q529 PolarHBondContact OD1-N 3.16Å |
| 530 | N | 72.1 | Confident | 77.7 | Confident | 84 Ų | 84 | 30.7 Ų | 30.7 | 45% | 0.449 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -39 | -169.6 | -64.8 | -64 | 0 | 0 | 0 | 114 | Y506 D527 | Y506-N530 VanDerWaalsContact CE1-O 3.3Å; Y506-N530 WeakPolarHBondContact CE1-O 3.28Å; Y506-N530 PolarHBondContact OH-O 2.75Å; D527-N530 HydrophobicContact CB-CB 4.36Å; D527-N530 PolarHBondContact O-N 2.78Å; D527-N530 PolarHBondContact OD2-ND2 3.36Å |
| 531 | D | 76.6 | Confident | 79.2 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -23.2 | -171 | -61.1 | -39.7 | 0 | 0 | 0 | 114.7 | Y506 N525 R526 D527 N1503 Y1506 | Y506-D531 VanDerWaalsContact OH-CA 3.27Å; Y506-D531 WeakPolarHBondContact OH-CA 3.41Å; Y506-D531 PolarHBondContact OH-O 2.87Å; N525-D531 WeakPolarHBondContact CA-OD2 3.38Å; N525-D531 HydrophobicContact CB-CB 4.03Å; R526-D531 PolarHBondContact N-OD2 2.93Å; R526-D531 VanDerWaalsContact N-OD2 3.08Å; D527-D531 HydrophobicContact CB-CB 4.28Å; D527-D531 WeakPolarHBondContact CB-OD2 3.47Å; D527-D531 PolarHBondContact N-OD2 3.03Å; D527-D531 VanDerWaalsContact N-OD2 3.13Å; D527-D531 CarbonylContact O-C 3.58Å; D527-D531 WeakPolarHBondContact O-CA 3.33Å; D527-D531 PolarHBondContact O-N 3.49Å; D531-N1503 PolarHBondContact O-ND2 2.96Å; D531-Y1506 HydrophobicContact CB-CE1 3.87Å; D531-Y1506 VanDerWaalsContact OD1-CE1 3.22Å; D531-Y1506 WeakPolarHBondContact OD1-CE1 3.33Å; D531-Y1506 PolarHBondContact OD1-OH 2.9Å |
| 532 | M | 80.7 | Confident | 80.4 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | trans | -112.5 | 27.8 | -174.1 | -68.7 | -68 | -173.7 | 0 | 0 | 114.4 | Y94 D527 Y534 F535 T536 M577 Y1501 N1503 | Y94-M532 HydrophobicContact CD1-CE 4.29Å; Y94-M532 HydrophobicContact CD1-CG 4.32Å; Y94-M532 HydrophobicContact CD2-CG 4.31Å; Y94-M532 HydrophobicContact CE1-CG 4.24Å; Y94-M532 HydrophobicContact CE1-SD 4.33Å; Y94-M532 HydrophobicContact CE2-CB 4.12Å; Y94-M532 HydrophobicContact CE2-CG 4.27Å; Y94-M532 HydrophobicContact CG-CG 4.38Å; D527-M532 PolarHBondContact O-N 3.42Å; M532-Y534 VanDerWaalsContact C-N 3.32Å; M532-Y534 PolarHBondContact O-N 3.13Å; M532-F535 HydrophobicContact CB-CD2 4.49Å; M532-F535 PolarHBondContact O-N 3.29Å; M532-F535 HydrophobicContact SD-CD2 3.7Å; M532-F535 HydrophobicContact SD-CE2 3.93Å; M532-T536 PolarHBondContact O-N 3.48Å; M532-T536 PolarHBondContact O-OG1 3.36Å; M532-M577 HydrophobicContact CE-CE 3.89Å; M532-M577 HydrophobicContact CE-SD 3.39Å; M532-M577 WeakPolarHBondContact CE-SD 3.15Å; M532-Y1501 HydrophobicContact CE-CE2 4.38Å; M532-N1503 HydrophobicContact CE-CB 4.01Å | ||
| 533 | K | 84 | Confident | 81.6 | Confident | 34 Ų | 34 | 22.8 Ų | 22.8 | 15% | 0.148 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.2 | -38.5 | -171.8 | -68.1 | -166.5 | 175.4 | -153.2 | 0 | 115.1 | P502 L503 I505 Y506 F535 T536 S537 | P502-K533 PolarHBondContact O-NZ 3.47Å; L503-K533 WeakPolarHBondContact O-CE 3.49Å; L503-K533 PolarHBondContact O-NZ 3.42Å; I505-K533 VanDerWaalsContact O-CD 3.27Å; I505-K533 WeakPolarHBondContact O-CD 3.44Å; I505-K533 PolarHBondContact O-NZ 2.88Å; Y506-K533 HydrophobicContact CD1-CD 4.32Å; Y506-K533 HydrophobicContact CD2-CB 4.22Å; Y506-K533 HydrophobicContact CE1-CD 4.08Å; Y506-K533 HydrophobicContact CE1-CG 4.27Å; Y506-K533 HydrophobicContact CE2-CB 3.62Å; Y506-K533 HydrophobicContact CE2-CD 4.33Å; Y506-K533 HydrophobicContact CE2-CG 4.13Å; Y506-K533 HydrophobicContact CG-CD 4.49Å; Y506-K533 PolarHBondContact OH-N 2.92Å; K533-F535 VanDerWaalsContact C-N 3.26Å; K533-F535 PolarHBondContact O-N 3.4Å; K533-T536 WeakPolarHBondContact CA-OG1 3.07Å; K533-T536 PolarHBondContact O-N 2.98Å; K533-S537 WeakPolarHBondContact O-CB 3.39Å; K533-S537 PolarHBondContact O-N 2.95Å; K533-S537 PolarHBondContact O-OG 3.23Å |
| 534 | Y | 86.3 | Confident | 82.4 | Confident | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.5 | -25.5 | 179.4 | -70.7 | -63.7 | 0 | 0 | 0 | 113.6 | I505 Y506 M532 S537 F539 I540 Y1506 I1507 V1510 | I505-Y534 HydrophobicContact CG2-CE1 4.18Å; Y506-Y534 AromaticContact CD2-CD2 3.84Å; Y506-Y534 HydrophobicContact CD2-CD2 3.84Å; Y506-Y534 AromaticContact CD2-CE2 3.4Å; Y506-Y534 HydrophobicContact CD2-CE2 3.4Å; Y506-Y534 VanDerWaalsContact CD2-CE2 3.4Å; Y506-Y534 AromaticContact CD2-CZ 3.87Å; Y506-Y534 AromaticContact CE2-CD2 3.82Å; Y506-Y534 HydrophobicContact CE2-CD2 3.82Å; Y506-Y534 AromaticContact CE2-CE2 3.86Å; Y506-Y534 HydrophobicContact CE2-CE2 3.86Å; M532-Y534 VanDerWaalsContact C-N 3.32Å; M532-Y534 PolarHBondContact O-N 3.13Å; Y534-S537 PolarHBondContact O-OG 2.85Å; Y534-F539 HydrophobicContact CD1-CB 4.16Å; Y534-F539 AromaticContact CD1-CD1 3.92Å; Y534-F539 HydrophobicContact CD1-CD1 3.92Å; Y534-F539 HydrophobicContact CD1-CD2 4.09Å; Y534-F539 HydrophobicContact CD1-CE1 4.32Å; Y534-F539 HydrophobicContact CD1-CE2 4.43Å; Y534-F539 AromaticContact CD1-CG 3.82Å; Y534-F539 HydrophobicContact CD1-CG 3.82Å; Y534-F539 HydrophobicContact CE1-CD1 4.46Å; Y534-F539 HydrophobicContact CE1-CD2 4.27Å; Y534-F539 HydrophobicContact CE1-CE1 4.45Å; Y534-F539 HydrophobicContact CE1-CE2 4.2Å; Y534-F539 HydrophobicContact CE1-CG 4.39Å; Y534-F539 HydrophobicContact CE1-CZ 4.3Å; Y534-I540 WeakPolarHBondContact O-CG1 3.48Å; Y534-I540 PolarHBondContact O-N 3.23Å; Y534-Y1506 VanDerWaalsContact CD2-O 3.26Å; Y534-Y1506 WeakPolarHBondContact CD2-O 3.45Å; Y534-Y1506 WeakPolarHBondContact CE2-O 3.49Å; Y534-I1507 HydrophobicContact CE2-CG1 4.22Å; Y534-V1510 HydrophobicContact CD1-CG2 3.95Å; Y534-V1510 HydrophobicContact CD2-CG2 3.44Å; Y534-V1510 VanDerWaalsContact CD2-CG2 3.44Å; Y534-V1510 HydrophobicContact CE2-CG2 4.04Å; Y534-V1510 HydrophobicContact CG-CG2 3.39Å |
| 535 | F | 85.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.009 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -77.6 | -57.9 | 167.1 | -69 | -80.2 | 0 | 0 | 0 | 110.1 | M76 Y94 R281 M532 K533 S537 G538 I540 M575 Y1501 P1509 | M76-F535 HydrophobicContact CE-CE1 4.26Å; Y94-F535 WeakPolarHBondContact OH-CB 3.47Å; R281-F535 WeakPolarHBondContact CG-O 3.49Å; M532-F535 HydrophobicContact CB-CD2 4.49Å; M532-F535 PolarHBondContact O-N 3.29Å; M532-F535 HydrophobicContact SD-CD2 3.7Å; M532-F535 HydrophobicContact SD-CE2 3.93Å; K533-F535 VanDerWaalsContact C-N 3.26Å; K533-F535 PolarHBondContact O-N 3.4Å; F535-S537 PolarHBondContact O-N 3.39Å; F535-G538 PolarHBondContact O-N 3.22Å; F535-I540 HydrophobicContact CD1-CD1 3.57Å; F535-I540 HydrophobicContact CD2-CD1 3.92Å; F535-I540 HydrophobicContact CE1-CD1 3.62Å; F535-I540 HydrophobicContact CE2-CD1 3.97Å; F535-I540 HydrophobicContact CG-CD1 3.73Å; F535-I540 HydrophobicContact CZ-CD1 3.81Å; F535-M575 HydrophobicContact CE1-CB 4Å; F535-M575 HydrophobicContact CE1-CG 4.07Å; F535-M575 HydrophobicContact CZ-CB 4.15Å; F535-M575 HydrophobicContact CZ-CE 4.29Å; F535-M575 HydrophobicContact CZ-CG 4.45Å; F535-Y1501 HydrophobicContact CE2-CE1 4.24Å; F535-Y1501 AromaticContact CE2-CE2 3.88Å; F535-Y1501 HydrophobicContact CE2-CE2 3.88Å; F535-Y1501 AromaticContact CE2-CZ 3.54Å; F535-Y1501 VanDerWaalsContact CE2-OH 3.23Å; F535-Y1501 WeakPolarHBondContact CE2-OH 3.47Å; F535-Y1501 AromaticContact CZ-CE1 3.74Å; F535-Y1501 HydrophobicContact CZ-CE1 3.74Å; F535-Y1501 HydrophobicContact CZ-CE2 4.21Å; F535-Y1501 AromaticContact CZ-CZ 3.53Å; F535-Y1501 WeakPolarHBondContact CZ-OH 3.31Å; F535-P1509 HydrophobicContact CD2-CG 4.43Å; F535-P1509 HydrophobicContact CE2-CB 3.67Å; F535-P1509 HydrophobicContact CE2-CG 3.63Å; F535-P1509 HydrophobicContact CZ-CB 3.53Å; F535-P1509 HydrophobicContact CZ-CG 4.05Å |
| 536 | T | 84.2 | Confident | 83.7 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.3 | -15.4 | -172.5 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | Y94 I277 G280 R281 P528 M532 K533 | Y94-T536 HydrophobicContact CE2-CG2 4.45Å; I277-T536 VanDerWaalsContact O-CB 3.26Å; I277-T536 WeakPolarHBondContact O-CB 3.49Å; I277-T536 VanDerWaalsContact O-CG2 3.25Å; I277-T536 WeakPolarHBondContact O-CG2 3.43Å; G280-T536 CarbonylContact C-O 3.53Å; G280-T536 WeakPolarHBondContact CA-O 3.42Å; R281-T536 PolarHBondContact N-O 3.48Å; P528-T536 HydrophobicContact CB-CG2 3.9Å; P528-T536 WeakPolarHBondContact O-CG2 3.36Å; P528-T536 PolarHBondContact O-OG1 3.33Å; M532-T536 PolarHBondContact O-N 3.48Å; M532-T536 PolarHBondContact O-OG1 3.36Å; K533-T536 WeakPolarHBondContact CA-OG1 3.07Å; K533-T536 PolarHBondContact O-N 2.98Å |
| 537 | S | 83.6 | Confident | 84 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -21.4 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 116 | I457 F504 K533 Y534 F535 F539 | I457-S537 WeakPolarHBondContact CD1-O 3.43Å; F504-S537 VanDerWaalsContact O-CB 3.25Å; F504-S537 WeakPolarHBondContact O-CB 3.43Å; K533-S537 WeakPolarHBondContact O-CB 3.39Å; K533-S537 PolarHBondContact O-N 2.95Å; K533-S537 PolarHBondContact O-OG 3.23Å; Y534-S537 PolarHBondContact O-OG 2.85Å; F535-S537 PolarHBondContact O-N 3.39Å; S537-F539 VanDerWaalsContact C-N 3.33Å; S537-F539 VanDerWaalsContact OG-CB 3.31Å; S537-F539 WeakPolarHBondContact OG-CB 3.16Å; S537-F539 PolarHBondContact OG-N 3.44Å |
| 538 | G | 83.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 80.4 | 7.1 | -165 | 0 | 0 | 0 | 0 | 0 | 114.7 | F535 I540 D541 I542 | F535-G538 PolarHBondContact O-N 3.22Å; G538-I540 PolarHBondContact O-N 3Å; G538-D541 PolarHBondContact O-N 3.2Å; G538-I542 PolarHBondContact O-N 3.26Å; G538-I542 VanDerWaalsContact O-N 3.08Å |
| 539 | F | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 178.4 | -174.1 | -73.8 | 0 | 0 | 0 | 112.1 | L498 I505 Y534 S537 I542 Q543 I1309 V1510 V1558 | L498-F539 HydrophobicContact CB-CD2 4.16Å; L498-F539 HydrophobicContact CB-CE2 3.48Å; L498-F539 VanDerWaalsContact CB-CE2 3.48Å; L498-F539 HydrophobicContact CB-CZ 3.86Å; L498-F539 HydrophobicContact CD1-CD1 4.17Å; L498-F539 HydrophobicContact CD1-CD2 4.16Å; L498-F539 HydrophobicContact CD1-CE1 3.76Å; L498-F539 HydrophobicContact CD1-CE2 3.81Å; L498-F539 HydrophobicContact CD1-CG 4.35Å; L498-F539 HydrophobicContact CD1-CZ 3.59Å; L498-F539 HydrophobicContact CG-CE2 4.26Å; L498-F539 HydrophobicContact CG-CZ 4.25Å; I505-F539 HydrophobicContact CD1-CD2 3.56Å; I505-F539 HydrophobicContact CD1-CE2 3.87Å; I505-F539 HydrophobicContact CG1-CD2 4.37Å; Y534-F539 HydrophobicContact CD1-CB 4.16Å; Y534-F539 AromaticContact CD1-CD1 3.92Å; Y534-F539 HydrophobicContact CD1-CD1 3.92Å; Y534-F539 HydrophobicContact CD1-CD2 4.09Å; Y534-F539 HydrophobicContact CD1-CE1 4.32Å; Y534-F539 HydrophobicContact CD1-CE2 4.43Å; Y534-F539 AromaticContact CD1-CG 3.82Å; Y534-F539 HydrophobicContact CD1-CG 3.82Å; Y534-F539 HydrophobicContact CE1-CD1 4.46Å; Y534-F539 HydrophobicContact CE1-CD2 4.27Å; Y534-F539 HydrophobicContact CE1-CE1 4.45Å; Y534-F539 HydrophobicContact CE1-CE2 4.2Å; Y534-F539 HydrophobicContact CE1-CG 4.39Å; Y534-F539 HydrophobicContact CE1-CZ 4.3Å; S537-F539 VanDerWaalsContact C-N 3.33Å; S537-F539 VanDerWaalsContact OG-CB 3.31Å; S537-F539 WeakPolarHBondContact OG-CB 3.16Å; S537-F539 PolarHBondContact OG-N 3.44Å; F539-I542 PolarHBondContact O-N 3.49Å; F539-Q543 PolarHBondContact O-N 2.95Å; F539-I1309 HydrophobicContact CE1-CD1 3.87Å; F539-I1309 HydrophobicContact CZ-CD1 3.59Å; F539-V1510 HydrophobicContact CD1-CG1 3.91Å; F539-V1510 HydrophobicContact CE1-CG1 3.47Å; F539-V1510 VanDerWaalsContact CE1-CG1 3.47Å; F539-V1510 HydrophobicContact CZ-CG1 4.48Å; F539-V1558 HydrophobicContact CE1-CG1 4.4Å; F539-V1558 HydrophobicContact CZ-CG1 4.42Å |
| 540 | I | 88.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 179.8 | -70.1 | 169.2 | 0 | 0 | 0 | 110.9 | M76 Y534 F535 G538 I542 Q543 E544 P1509 V1510 L1513 | M76-I540 HydrophobicContact SD-CG2 3.56Å; M76-I540 VanDerWaalsContact SD-CG2 3.56Å; Y534-I540 WeakPolarHBondContact O-CG1 3.48Å; Y534-I540 PolarHBondContact O-N 3.23Å; F535-I540 HydrophobicContact CD1-CD1 3.57Å; F535-I540 HydrophobicContact CD2-CD1 3.92Å; F535-I540 HydrophobicContact CE1-CD1 3.62Å; F535-I540 HydrophobicContact CE2-CD1 3.97Å; F535-I540 HydrophobicContact CG-CD1 3.73Å; F535-I540 HydrophobicContact CZ-CD1 3.81Å; G538-I540 PolarHBondContact O-N 3Å; I540-I542 VanDerWaalsContact C-N 3.35Å; I540-I542 PolarHBondContact O-N 3.49Å; I540-Q543 PolarHBondContact O-N 3.17Å; I540-E544 PolarHBondContact O-N 3.48Å; I540-P1509 HydrophobicContact CD1-CB 3.97Å; I540-P1509 HydrophobicContact CD1-CG 4.08Å; I540-V1510 HydrophobicContact CD1-CG2 4.32Å; I540-V1510 HydrophobicContact CG1-CG2 4.22Å; I540-L1513 HydrophobicContact CG2-CD2 3.95Å |
| 541 | D | 87.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | 178.1 | -58.4 | -60.6 | 0 | 0 | 0 | 111.7 | R281 Y284 G538 Q545 | R281-D541 IonicContact CZ-OD1 3.73Å; R281-D541 IonicContact CZ-OD2 2.62Å; R281-D541 IonicContact NE-OD1 3.71Å; R281-D541 PolarHBondContact NE-OD1 2.69Å; R281-D541 IonicContact NE-OD2 3.97Å; R281-D541 PolarHBondContact NE-OD2 3.16Å; R281-D541 IonicContact NH2-OD1 3.49Å; R281-D541 PolarHBondContact NH2-OD1 3.37Å; R281-D541 IonicContact NH2-OD2 3.4Å; Y284-D541 HydrophobicContact CE1-CB 4.49Å; G538-D541 PolarHBondContact O-N 3.2Å; D541-Q545 VanDerWaalsContact O-CG 3.29Å; D541-Q545 WeakPolarHBondContact O-CG 3.34Å; D541-Q545 PolarHBondContact O-N 3.36Å |
| 542 | I | 88.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | 171.3 | -73.5 | 175.8 | 0 | 0 | 0 | 111.5 | Y284 I290 M306 I457 I459 L498 G538 F539 I540 E544 Q545 L546 | Y284-I542 HydrophobicContact CE1-CG1 4.35Å; Y284-I542 HydrophobicContact CE2-CD1 4.06Å; Y284-I542 WeakPolarHBondContact OH-CD1 3.48Å; Y284-I542 WeakPolarHBondContact OH-CG1 3Å; I290-I542 HydrophobicContact CG1-CD1 4.22Å; M306-I542 HydrophobicContact CE-CB 4.07Å; M306-I542 HydrophobicContact CE-CG1 3.92Å; M306-I542 HydrophobicContact CE-CG2 3.88Å; I457-I542 HydrophobicContact CB-CD1 3.62Å; I457-I542 HydrophobicContact CD1-CD1 3.56Å; I457-I542 HydrophobicContact CG1-CD1 4.09Å; I457-I542 HydrophobicContact CG2-CD1 3.57Å; I459-I542 HydrophobicContact CD1-CG2 4.32Å; L498-I542 HydrophobicContact CD1-CG2 4.25Å; L498-I542 HydrophobicContact CD2-CG2 4.04Å; G538-I542 PolarHBondContact O-N 3.26Å; G538-I542 VanDerWaalsContact O-N 3.08Å; F539-I542 PolarHBondContact O-N 3.49Å; I540-I542 VanDerWaalsContact C-N 3.35Å; I540-I542 PolarHBondContact O-N 3.49Å; I542-E544 VanDerWaalsContact C-N 3.29Å; I542-E544 PolarHBondContact O-N 2.95Å; I542-Q545 PolarHBondContact O-N 3.15Å; I542-L546 HydrophobicContact CG2-CD1 4.47Å; I542-L546 WeakPolarHBondContact O-CB 3.36Å; I542-L546 PolarHBondContact O-N 3.24Å |
| 543 | Q | 91.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.009 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.9 | -37.7 | -177.7 | 178.3 | 178.6 | -31 | 0 | 0 | 112.2 | F539 I540 I547 V1510 L1513 V1558 | F539-Q543 PolarHBondContact O-N 2.95Å; I540-Q543 PolarHBondContact O-N 3.17Å; Q543-I547 HydrophobicContact CG-CD1 3.73Å; Q543-I547 WeakPolarHBondContact O-CB 3.31Å; Q543-I547 WeakPolarHBondContact O-CD1 3.35Å; Q543-I547 WeakPolarHBondContact O-CG1 3.29Å; Q543-I547 PolarHBondContact O-N 3.38Å; Q543-V1510 PolarHBondContact NE2-O 2.61Å; Q543-L1513 HydrophobicContact CB-CD2 4.25Å; Q543-L1513 HydrophobicContact CG-CD2 4.02Å; Q543-V1558 HydrophobicContact CG-CG2 4.27Å |
| 544 | E | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59 | -62.5 | 170.2 | -177.2 | -169.2 | -141.1 | 0 | 0 | 110.8 | M76 S77 S78 I540 I542 L546 I547 Q548 I573 | M76-E544 WeakPolarHBondContact CB-OE1 3.49Å; M76-E544 WeakPolarHBondContact CB-OE2 3.46Å; S77-E544 WeakPolarHBondContact CA-OE2 3.48Å; S77-E544 WeakPolarHBondContact CB-OE2 3.34Å; S77-E544 PolarHBondContact N-OE2 2.94Å; S77-E544 PolarHBondContact OG-OE2 3.3Å; S78-E544 WeakPolarHBondContact CB-OE1 3.38Å; S78-E544 PolarHBondContact N-OE1 3.19Å; S78-E544 PolarHBondContact N-OE2 2.88Å; S78-E544 PolarHBondContact OG-OE1 2.94Å; I540-E544 PolarHBondContact O-N 3.48Å; I542-E544 VanDerWaalsContact C-N 3.29Å; I542-E544 PolarHBondContact O-N 2.95Å; E544-L546 VanDerWaalsContact C-N 3.35Å; E544-L546 PolarHBondContact O-N 3.24Å; E544-I547 PolarHBondContact O-N 3.14Å; E544-Q548 HydrophobicContact CG-CG 4.35Å; E544-Q548 VanDerWaalsContact CG-NE2 3.29Å; E544-Q548 WeakPolarHBondContact O-CB 3.42Å; E544-Q548 WeakPolarHBondContact O-CG 3.45Å; E544-Q548 PolarHBondContact O-N 3.37Å; E544-Q548 PolarHBondContact OE1-NE2 3.39Å; E544-I573 HydrophobicContact CG-CD1 4.5Å |
| 545 | Q | 87.8 | Confident | 86.8 | Confident | 31 Ų | 31 | 8.8 Ų | 8.8 | 15% | 0.145 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | -169.3 | -65.9 | 170.1 | -1.6 | 0 | 0 | 112.9 | S77 M306 D541 I542 S549 | S77-Q545 VanDerWaalsContact CB-NE2 3.28Å; S77-Q545 VanDerWaalsContact OG-CG 3.25Å; S77-Q545 WeakPolarHBondContact OG-CG 3.32Å; S77-Q545 PolarHBondContact OG-NE2 3.28Å; M306-Q545 HydrophobicContact CE-CB 3.99Å; M306-Q545 HydrophobicContact CG-CB 3.56Å; D541-Q545 VanDerWaalsContact O-CG 3.29Å; D541-Q545 WeakPolarHBondContact O-CG 3.34Å; D541-Q545 PolarHBondContact O-N 3.36Å; I542-Q545 PolarHBondContact O-N 3.15Å; Q545-S549 WeakPolarHBondContact O-CB 3.16Å; Q545-S549 PolarHBondContact O-N 3.12Å; Q545-S549 VanDerWaalsContact O-N 3.08Å; Q545-S549 PolarHBondContact O-OG 3.17Å |
| 546 | L | 89.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.01 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.9 | -44 | 178.6 | -166 | -180 | 0 | 0 | 0 | 111.1 | I302 M306 I459 F461 I496 L498 I542 E544 S549 F550 | I302-L546 HydrophobicContact CG2-CD2 3.96Å; I302-L546 HydrophobicContact CG2-CG 4.25Å; M306-L546 HydrophobicContact SD-CB 4.48Å; I459-L546 HydrophobicContact CD1-CD1 4.04Å; I459-L546 HydrophobicContact CG2-CD1 3.84Å; F461-L546 HydrophobicContact CE1-CD2 4.08Å; F461-L546 HydrophobicContact CZ-CD2 4.49Å; I496-L546 HydrophobicContact CD1-CD1 4.21Å; I496-L546 HydrophobicContact CD1-CD2 3.51Å; I496-L546 HydrophobicContact CG2-CD1 4.13Å; L498-L546 HydrophobicContact CD2-CD1 4.5Å; I542-L546 HydrophobicContact CG2-CD1 4.47Å; I542-L546 WeakPolarHBondContact O-CB 3.36Å; I542-L546 PolarHBondContact O-N 3.24Å; E544-L546 VanDerWaalsContact C-N 3.35Å; E544-L546 PolarHBondContact O-N 3.24Å; L546-S549 PolarHBondContact O-OG 2.79Å; L546-F550 PolarHBondContact O-N 2.91Å |
| 547 | I | 89.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -81 | -32.4 | -175.7 | -59.7 | 169.6 | 0 | 0 | 0 | 111.3 | Q543 E544 F550 L551 H1517 I1556 V1558 | Q543-I547 HydrophobicContact CG-CD1 3.73Å; Q543-I547 WeakPolarHBondContact O-CB 3.31Å; Q543-I547 WeakPolarHBondContact O-CD1 3.35Å; Q543-I547 WeakPolarHBondContact O-CG1 3.29Å; Q543-I547 PolarHBondContact O-N 3.38Å; E544-I547 PolarHBondContact O-N 3.14Å; I547-F550 PolarHBondContact O-N 2.81Å; I547-L551 HydrophobicContact CG2-CD1 4.43Å; I547-L551 HydrophobicContact CG2-CG 4.44Å; I547-L551 VanDerWaalsContact O-CG 3.31Å; I547-L551 WeakPolarHBondContact O-CG 3.44Å; I547-L551 PolarHBondContact O-N 3.32Å; I547-H1517 WeakPolarHBondContact CD1-ND1 3.15Å; I547-H1517 HydrophobicContact CG2-CB 3.6Å; I547-I1556 HydrophobicContact CD1-CG2 4.05Å; I547-I1556 HydrophobicContact CG1-CG2 4.46Å; I547-I1556 HydrophobicContact CG2-CD1 3.72Å; I547-V1558 HydrophobicContact CD1-CG2 3.6Å |
| 548 | Q | 87.4 | Confident | 85.5 | Confident | 41 Ų | 41 | 14.8 Ų | 14.8 | 19% | 0.192 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 168.8 | -72.2 | -179.6 | 2.2 | 0 | 0 | 111.7 | E544 L551 Y552 | E544-Q548 HydrophobicContact CG-CG 4.35Å; E544-Q548 VanDerWaalsContact CG-NE2 3.29Å; E544-Q548 WeakPolarHBondContact O-CB 3.42Å; E544-Q548 WeakPolarHBondContact O-CG 3.45Å; E544-Q548 PolarHBondContact O-N 3.37Å; E544-Q548 PolarHBondContact OE1-NE2 3.39Å; Q548-L551 PolarHBondContact O-N 3.46Å; Q548-Y552 PolarHBondContact O-N 2.86Å |
| 549 | S | 86.9 | Confident | 85.1 | Confident | 7 Ų | 7 | 21 Ų | 21 | 5% | 0.049 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.2 | -34.5 | 175.1 | 68 | 0 | 0 | 0 | 0 | 112.9 | I302 Q545 L546 Y552 I553 | I302-S549 WeakPolarHBondContact CG2-OG 3.39Å; I302-S549 WeakPolarHBondContact O-CB 3.12Å; I302-S549 PolarHBondContact O-OG 2.8Å; Q545-S549 WeakPolarHBondContact O-CB 3.16Å; Q545-S549 PolarHBondContact O-N 3.12Å; Q545-S549 VanDerWaalsContact O-N 3.08Å; Q545-S549 PolarHBondContact O-OG 3.17Å; L546-S549 PolarHBondContact O-OG 2.79Å; S549-Y552 PolarHBondContact O-N 2.92Å; S549-I553 WeakPolarHBondContact O-CD1 3.48Å; S549-I553 VanDerWaalsContact O-CG1 3.28Å; S549-I553 WeakPolarHBondContact O-CG1 3.41Å; S549-I553 PolarHBondContact O-N 2.87Å |
| 550 | F | 88.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 170 | 173.6 | -99.6 | 0 | 0 | 0 | 113.3 | F298 I302 P465 L468 L494 L546 I547 Y552 I553 T554 Y1521 I1556 | F298-F550 HydrophobicContact CZ-CD2 4.04Å; F298-F550 HydrophobicContact CZ-CE2 4.1Å; I302-F550 HydrophobicContact CD1-CD2 4.25Å; P465-F550 HydrophobicContact CG-CZ 4.46Å; L468-F550 HydrophobicContact CD1-CE2 4.07Å; L494-F550 HydrophobicContact CB-CE1 4.49Å; L494-F550 HydrophobicContact CB-CE2 4.46Å; L494-F550 HydrophobicContact CB-CZ 4.13Å; L494-F550 HydrophobicContact CD1-CD2 4.32Å; L494-F550 HydrophobicContact CD1-CE2 4.05Å; L494-F550 HydrophobicContact CD2-CB 4.37Å; L494-F550 HydrophobicContact CD2-CD1 3.72Å; L494-F550 HydrophobicContact CD2-CD2 3.68Å; L494-F550 HydrophobicContact CD2-CE1 3.83Å; L494-F550 HydrophobicContact CD2-CE2 3.79Å; L494-F550 HydrophobicContact CD2-CG 3.64Å; L494-F550 HydrophobicContact CD2-CZ 3.86Å; L494-F550 HydrophobicContact CG-CE2 4.33Å; L494-F550 HydrophobicContact CG-CZ 4.41Å; L546-F550 PolarHBondContact O-N 2.91Å; I547-F550 PolarHBondContact O-N 2.81Å; F550-Y552 VanDerWaalsContact C-N 3.31Å; F550-Y552 PolarHBondContact O-N 3.09Å; F550-I553 PolarHBondContact O-N 3.08Å; F550-T554 HydrophobicContact CD1-CG2 4.42Å; F550-T554 HydrophobicContact CD2-CG2 4.21Å; F550-T554 HydrophobicContact CE1-CG2 3.94Å; F550-T554 HydrophobicContact CE2-CG2 3.7Å; F550-T554 HydrophobicContact CZ-CG2 3.56Å; F550-T554 WeakPolarHBondContact O-CG2 3.42Å; F550-T554 PolarHBondContact O-N 3.32Å; F550-T554 PolarHBondContact O-OG1 2.91Å; F550-Y1521 AromaticContact CE1-CD2 3.87Å; F550-Y1521 HydrophobicContact CE1-CD2 3.87Å; F550-Y1521 AromaticContact CE1-CE2 3.61Å; F550-Y1521 HydrophobicContact CE1-CE2 3.61Å; F550-Y1521 HydrophobicContact CE1-CG 4.49Å; F550-Y1521 AromaticContact CZ-CE2 3.92Å; F550-Y1521 HydrophobicContact CZ-CE2 3.92Å; F550-I1556 HydrophobicContact CD1-CD1 4.03Å; F550-I1556 HydrophobicContact CE1-CD1 3.97Å; F550-I1556 HydrophobicContact CE1-CG1 4.32Å |
| 551 | L | 86.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.1 | -72.5 | 171.2 | 0 | 0 | 0 | 111.4 | I547 Q548 T554 S555 Y564 Q1520 Y1521 L1524 | I547-L551 HydrophobicContact CG2-CD1 4.43Å; I547-L551 HydrophobicContact CG2-CG 4.44Å; I547-L551 VanDerWaalsContact O-CG 3.31Å; I547-L551 WeakPolarHBondContact O-CG 3.44Å; I547-L551 PolarHBondContact O-N 3.32Å; Q548-L551 PolarHBondContact O-N 3.46Å; L551-T554 WeakPolarHBondContact CA-OG1 3.3Å; L551-T554 PolarHBondContact O-OG1 2.82Å; L551-T554 VanDerWaalsContact O-OG1 3.08Å; L551-S555 PolarHBondContact O-N 2.84Å; L551-S555 VanDerWaalsContact O-N 3.07Å; L551-Y564 HydrophobicContact CB-CE2 4.14Å; L551-Q1520 HydrophobicContact CD1-CB 4Å; L551-Y1521 HydrophobicContact CD2-CD2 4.14Å; L551-Y1521 HydrophobicContact CD2-CG 4.46Å; L551-L1524 HydrophobicContact CD2-CD1 4.45Å; L551-L1524 WeakPolarHBondContact O-CD1 3.2Å |
| 552 | Y | 86.2 | Confident | 83 | Confident | 92 Ų | 92 | 29.1 Ų | 29.1 | 36% | 0.361 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 174 | 179.6 | -110.3 | 0 | 0 | 0 | 112.4 | Q548 S549 F550 T554 S555 S556 Y564 | Q548-Y552 PolarHBondContact O-N 2.86Å; S549-Y552 PolarHBondContact O-N 2.92Å; F550-Y552 VanDerWaalsContact C-N 3.31Å; F550-Y552 PolarHBondContact O-N 3.09Å; Y552-T554 PolarHBondContact O-N 3Å; Y552-S555 WeakPolarHBondContact O-CA 3.24Å; Y552-S555 WeakPolarHBondContact O-CB 3.41Å; Y552-S555 PolarHBondContact O-N 2.74Å; Y552-S555 VanDerWaalsContact O-N 3.1Å; Y552-S555 PolarHBondContact O-OG 3.12Å; Y552-S556 PolarHBondContact O-N 2.84Å; Y552-Y564 HydrophobicContact CD2-CD1 4.07Å; Y552-Y564 AromaticContact CD2-CE1 3.77Å; Y552-Y564 HydrophobicContact CD2-CE1 3.77Å |
| 553 | I | 84.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71 | -31.3 | -177.6 | -61.4 | 158.3 | 0 | 0 | 0 | 112.1 | F298 E301 I302 S549 F550 S555 S556 K557 | F298-I553 HydrophobicContact CD2-CG2 4.2Å; F298-I553 HydrophobicContact CE2-CG2 3.66Å; E301-I553 HydrophobicContact CB-CD1 4.17Å; E301-I553 HydrophobicContact CG-CD1 3.74Å; E301-I553 HydrophobicContact CG-CG1 4.09Å; I302-I553 HydrophobicContact CB-CD1 4.22Å; I302-I553 HydrophobicContact CG1-CD1 3.63Å; S549-I553 WeakPolarHBondContact O-CD1 3.48Å; S549-I553 VanDerWaalsContact O-CG1 3.28Å; S549-I553 WeakPolarHBondContact O-CG1 3.41Å; S549-I553 PolarHBondContact O-N 2.87Å; F550-I553 PolarHBondContact O-N 3.08Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S556 WeakPolarHBondContact CA-OG 3.38Å; I553-S556 PolarHBondContact O-N 3.13Å; I553-S556 PolarHBondContact O-OG 3.45Å; I553-K557 PolarHBondContact O-N 3.08Å |
| 554 | T | 81.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.7 | -35 | 170 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | F550 L551 Y552 F558 Y1521 | F550-T554 HydrophobicContact CD1-CG2 4.42Å; F550-T554 HydrophobicContact CD2-CG2 4.21Å; F550-T554 HydrophobicContact CE1-CG2 3.94Å; F550-T554 HydrophobicContact CE2-CG2 3.7Å; F550-T554 HydrophobicContact CZ-CG2 3.56Å; F550-T554 WeakPolarHBondContact O-CG2 3.42Å; F550-T554 PolarHBondContact O-N 3.32Å; F550-T554 PolarHBondContact O-OG1 2.91Å; L551-T554 WeakPolarHBondContact CA-OG1 3.3Å; L551-T554 PolarHBondContact O-OG1 2.82Å; L551-T554 VanDerWaalsContact O-OG1 3.08Å; Y552-T554 PolarHBondContact O-N 3Å; T554-F558 WeakPolarHBondContact O-CD2 3.16Å; T554-F558 PolarHBondContact O-N 2.97Å; T554-Y1521 HydrophobicContact CG2-CE2 4.25Å |
| 555 | S | 82.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 172.2 | 88.1 | 0 | 0 | 0 | 0 | 113.7 | L551 Y552 I553 N559 I560 T561 | L551-S555 PolarHBondContact O-N 2.84Å; L551-S555 VanDerWaalsContact O-N 3.07Å; Y552-S555 WeakPolarHBondContact O-CA 3.24Å; Y552-S555 WeakPolarHBondContact O-CB 3.41Å; Y552-S555 PolarHBondContact O-N 2.74Å; Y552-S555 VanDerWaalsContact O-N 3.1Å; Y552-S555 PolarHBondContact O-OG 3.12Å; I553-S555 VanDerWaalsContact C-N 3.33Å; S555-N559 PolarHBondContact O-N 2.78Å; S555-I560 CarbonylContact O-C 3.49Å; S555-I560 WeakPolarHBondContact O-CA 3.03Å; S555-I560 PolarHBondContact O-N 2.77Å; S555-T561 PolarHBondContact O-N 3.1Å |
| 556 | S | 79.8 | Confident | 80.1 | Confident | 33 Ų | 33 | 40 Ų | 40 | 23% | 0.231 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.9 | -48.3 | 178.2 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | Y552 I553 F558 N559 | Y552-S556 PolarHBondContact O-N 2.84Å; I553-S556 WeakPolarHBondContact CA-OG 3.38Å; I553-S556 PolarHBondContact O-N 3.13Å; I553-S556 PolarHBondContact O-OG 3.45Å; S556-F558 PolarHBondContact O-N 2.73Å; S556-N559 PolarHBondContact O-N 2.81Å |
| 557 | K | 75.5 | Confident | 79.1 | Confident | 80 Ų | 80 | 40.4 Ų | 40.4 | 35% | 0.348 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.3 | -23 | 179.4 | -74.7 | -174 | 172.3 | -172.5 | 0 | 114.5 | L468 I553 | L468-K557 HydrophobicContact CD2-CD 3.53Å; L468-K557 PolarHBondContact O-NZ 2.58Å; I553-K557 PolarHBondContact O-N 3.08Å |
| 558 | F | 72.4 | Confident | 78.4 | Confident | 18 Ų | 18 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.7 | 171.8 | -67.7 | -58.4 | 0 | 0 | 0 | 114.6 | Y467 M483 I487 T554 S556 I560 L1524 L1525 | Y467-F558 HydrophobicContact CD2-CE1 4.22Å; Y467-F558 AromaticContact CD2-CZ 3.85Å; Y467-F558 HydrophobicContact CD2-CZ 3.85Å; Y467-F558 HydrophobicContact CE1-CZ 4.32Å; Y467-F558 HydrophobicContact CE2-CE1 4.1Å; Y467-F558 AromaticContact CE2-CE2 3.73Å; Y467-F558 HydrophobicContact CE2-CE2 3.73Å; Y467-F558 AromaticContact CE2-CZ 3.33Å; Y467-F558 HydrophobicContact CE2-CZ 3.33Å; Y467-F558 AromaticContact CZ-CE2 3.93Å; Y467-F558 AromaticContact CZ-CZ 3.62Å; M483-F558 HydrophobicContact CE-CD1 3.84Å; M483-F558 HydrophobicContact CE-CE1 3.75Å; M483-F558 HydrophobicContact SD-CD1 4.45Å; M483-F558 HydrophobicContact SD-CE1 4.45Å; I487-F558 HydrophobicContact CD1-CE1 3.8Å; I487-F558 HydrophobicContact CD1-CZ 4.32Å; I487-F558 HydrophobicContact CG1-CE1 4.37Å; T554-F558 WeakPolarHBondContact O-CD2 3.16Å; T554-F558 PolarHBondContact O-N 2.97Å; S556-F558 PolarHBondContact O-N 2.73Å; F558-I560 VanDerWaalsContact C-N 3.29Å; F558-I560 HydrophobicContact CB-CB 4.2Å; F558-I560 HydrophobicContact CB-CD1 3.93Å; F558-I560 HydrophobicContact CB-CG1 4.31Å; F558-I560 WeakPolarHBondContact O-CG1 3.47Å; F558-I560 PolarHBondContact O-N 2.88Å; F558-L1524 HydrophobicContact CD2-CD2 4.27Å; F558-L1525 HydrophobicContact CD2-CD2 4.42Å; F558-L1525 HydrophobicContact CE2-CD2 3.52Å; F558-L1525 HydrophobicContact CZ-CD2 3.91Å |
| 559 | N | 73 | Confident | 77.7 | Confident | 131 Ų | 131 | 42.4 Ų | 42.4 | 70% | 0.701 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 46.3 | -173.3 | -70.5 | -38.4 | 0 | 0 | 0 | 112.6 | S555 S556 K1531 | S555-N559 PolarHBondContact O-N 2.78Å; S556-N559 PolarHBondContact O-N 2.81Å; N559-K1531 PolarHBondContact O-NZ 3.5Å |
| 560 | I | 73 | Confident | 76.9 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -126.1 | 10.7 | -170 | -86.2 | 174.2 | 0 | 0 | 0 | 112.3 | S555 F558 N562 I563 Y564 K1531 | S555-I560 CarbonylContact O-C 3.49Å; S555-I560 WeakPolarHBondContact O-CA 3.03Å; S555-I560 PolarHBondContact O-N 2.77Å; F558-I560 VanDerWaalsContact C-N 3.29Å; F558-I560 HydrophobicContact CB-CB 4.2Å; F558-I560 HydrophobicContact CB-CD1 3.93Å; F558-I560 HydrophobicContact CB-CG1 4.31Å; F558-I560 WeakPolarHBondContact O-CG1 3.47Å; F558-I560 PolarHBondContact O-N 2.88Å; I560-N562 PolarHBondContact O-N 3.01Å; I560-N562 VanDerWaalsContact O-N 3.11Å; I560-I563 HydrophobicContact CG1-CD1 4.32Å; I560-I563 HydrophobicContact CG2-CB 4.09Å; I560-I563 HydrophobicContact CG2-CD1 4.4Å; I560-I563 PolarHBondContact O-N 3.24Å; I560-Y564 PolarHBondContact O-N 3.02Å; I560-K1531 HydrophobicContact CD1-CD 4.02Å; I560-K1531 HydrophobicContact CG1-CD 3.83Å | ||
| 561 | T | 74.9 | Confident | 76.5 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 29% | 0.288 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -44.2 | -41.1 | 172.2 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | S555 I563 Y564 N565 | S555-T561 PolarHBondContact O-N 3.1Å; T561-I563 VanDerWaalsContact C-N 3.35Å; T561-I563 PolarHBondContact O-N 3.25Å; T561-Y564 WeakPolarHBondContact O-CB 3.49Å; T561-Y564 PolarHBondContact O-N 2.8Å; T561-N565 WeakPolarHBondContact O-CB 3.38Å; T561-N565 PolarHBondContact O-N 3.01Å; T561-N565 PolarHBondContact O-OD1 2.71Å |
| 562 | N | 74.9 | Confident | 76.3 | Confident | 118 Ų | 118 | 47.2 Ų | 47.2 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62 | -40.4 | 177.3 | -66.8 | 14.8 | 0 | 0 | 0 | 112.5 | I560 N565 Q566 | I560-N562 PolarHBondContact O-N 3.01Å; I560-N562 VanDerWaalsContact O-N 3.11Å; N562-N565 PolarHBondContact O-N 2.93Å; N562-Q566 WeakPolarHBondContact O-CG 3.31Å; N562-Q566 PolarHBondContact O-N 3.47Å |
| 563 | I | 72 | Confident | 76.4 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.1 | -36.9 | 177.9 | -53.6 | -179.5 | 0 | 0 | 0 | 110 | I560 T561 N565 Q566 L567 N1527 | I560-I563 HydrophobicContact CG1-CD1 4.32Å; I560-I563 HydrophobicContact CG2-CB 4.09Å; I560-I563 HydrophobicContact CG2-CD1 4.4Å; I560-I563 PolarHBondContact O-N 3.24Å; T561-I563 VanDerWaalsContact C-N 3.35Å; T561-I563 PolarHBondContact O-N 3.25Å; I563-N565 VanDerWaalsContact C-N 3.3Å; I563-N565 PolarHBondContact O-N 3.15Å; I563-Q566 PolarHBondContact O-N 2.78Å; I563-L567 HydrophobicContact CG2-CD1 3.54Å; I563-L567 HydrophobicContact CG2-CG 3.97Å; I563-L567 VanDerWaalsContact O-CB 3.31Å; I563-L567 WeakPolarHBondContact O-CB 3.32Å; I563-L567 WeakPolarHBondContact O-CG 3.1Å; I563-L567 PolarHBondContact O-N 2.88Å; I563-N1527 HydrophobicContact CD1-CB 4.47Å; I563-N1527 HydrophobicContact CG2-CB 4.36Å |
| 564 | Y | 78.4 | Confident | 76.6 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 169.7 | -179 | -80.9 | 0 | 0 | 0 | 111.1 | L551 Y552 I560 T561 Q566 L567 L568 H569 L1524 | L551-Y564 HydrophobicContact CB-CE2 4.14Å; Y552-Y564 HydrophobicContact CD2-CD1 4.07Å; Y552-Y564 AromaticContact CD2-CE1 3.77Å; Y552-Y564 HydrophobicContact CD2-CE1 3.77Å; I560-Y564 PolarHBondContact O-N 3.02Å; T561-Y564 WeakPolarHBondContact O-CB 3.49Å; T561-Y564 PolarHBondContact O-N 2.8Å; Y564-Q566 VanDerWaalsContact C-N 3.31Å; Y564-Q566 PolarHBondContact O-N 3.2Å; Y564-L567 PolarHBondContact O-N 2.85Å; Y564-L568 HydrophobicContact CD1-CB 4.44Å; Y564-L568 HydrophobicContact CD2-CB 3.75Å; Y564-L568 HydrophobicContact CD2-CD1 3.57Å; Y564-L568 HydrophobicContact CD2-CG 4.3Å; Y564-L568 HydrophobicContact CE1-CB 4.42Å; Y564-L568 HydrophobicContact CE2-CB 3.73Å; Y564-L568 HydrophobicContact CE2-CD1 3.9Å; Y564-L568 HydrophobicContact CE2-CG 4.46Å; Y564-L568 HydrophobicContact CG-CB 4.1Å; Y564-L568 HydrophobicContact CG-CD1 4.43Å; Y564-L568 CarbonylContact O-C 3.49Å; Y564-L568 WeakPolarHBondContact O-CA 3.19Å; Y564-L568 WeakPolarHBondContact O-CB 3.48Å; Y564-L568 PolarHBondContact O-N 2.89Å; Y564-H569 HydrophobicContact CD1-CB 4.24Å; Y564-H569 HydrophobicContact CE1-CB 4.12Å; Y564-H569 PolarHBondContact O-N 3.46Å; Y564-L1524 HydrophobicContact CD2-CD1 4.45Å |
| 565 | N | 74.2 | Confident | 77 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.9 | -32.3 | 178.6 | -71 | -7.1 | 0 | 0 | 0 | 112.9 | T561 N562 I563 H569 | T561-N565 WeakPolarHBondContact O-CB 3.38Å; T561-N565 PolarHBondContact O-N 3.01Å; T561-N565 PolarHBondContact O-OD1 2.71Å; N562-N565 PolarHBondContact O-N 2.93Å; I563-N565 VanDerWaalsContact C-N 3.3Å; I563-N565 PolarHBondContact O-N 3.15Å; N565-H569 HydrophobicContact CB-CB 4.47Å |
| 566 | Q | 70.9 | Confident | 77.3 | Confident | 108 Ų | 108 | 43.5 Ų | 43.5 | 51% | 0.505 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78.4 | -38.4 | 174.7 | -71.9 | 170.3 | -33.1 | 0 | 0 | 113.4 | N562 I563 Y564 S1344 | N562-Q566 WeakPolarHBondContact O-CG 3.31Å; N562-Q566 PolarHBondContact O-N 3.47Å; I563-Q566 PolarHBondContact O-N 2.78Å; Y564-Q566 VanDerWaalsContact C-N 3.31Å; Y564-Q566 PolarHBondContact O-N 3.2Å; Q566-S1344 VanDerWaalsContact O-CB 3.31Å; Q566-S1344 WeakPolarHBondContact O-CB 3.02Å |
| 567 | L | 70.4 | Confident | 77.7 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -110.9 | -14.8 | -165.7 | -54.3 | -171 | 0 | 0 | 0 | 115.9 | I563 Y564 I571 S1347 Y1348 L1523 N1527 | I563-L567 HydrophobicContact CG2-CD1 3.54Å; I563-L567 HydrophobicContact CG2-CG 3.97Å; I563-L567 VanDerWaalsContact O-CB 3.31Å; I563-L567 WeakPolarHBondContact O-CB 3.32Å; I563-L567 WeakPolarHBondContact O-CG 3.1Å; I563-L567 PolarHBondContact O-N 2.88Å; Y564-L567 PolarHBondContact O-N 2.85Å; L567-I571 WeakPolarHBondContact O-CD1 3.33Å; L567-S1347 WeakPolarHBondContact CD2-OG 3.41Å; L567-Y1348 WeakPolarHBondContact O-CE2 3.27Å; L567-Y1348 PolarHBondContact O-OH 3.47Å; L567-L1523 HydrophobicContact CB-CD2 4.47Å; L567-L1523 HydrophobicContact CD1-CD2 3.83Å; L567-N1527 WeakPolarHBondContact CD1-ND2 3.38Å |
| 568 | L | 74.7 | Confident | 78.3 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | -27.5 | -171.4 | -69 | 169.3 | 0 | 0 | 0 | 114.2 | Y564 Y1348 Q1520 L1524 | Y564-L568 HydrophobicContact CD1-CB 4.44Å; Y564-L568 HydrophobicContact CD2-CB 3.75Å; Y564-L568 HydrophobicContact CD2-CD1 3.57Å; Y564-L568 HydrophobicContact CD2-CG 4.3Å; Y564-L568 HydrophobicContact CE1-CB 4.42Å; Y564-L568 HydrophobicContact CE2-CB 3.73Å; Y564-L568 HydrophobicContact CE2-CD1 3.9Å; Y564-L568 HydrophobicContact CE2-CG 4.46Å; Y564-L568 HydrophobicContact CG-CB 4.1Å; Y564-L568 HydrophobicContact CG-CD1 4.43Å; Y564-L568 CarbonylContact O-C 3.49Å; Y564-L568 WeakPolarHBondContact O-CA 3.19Å; Y564-L568 WeakPolarHBondContact O-CB 3.48Å; Y564-L568 PolarHBondContact O-N 2.89Å; L568-Y1348 WeakPolarHBondContact CD2-OH 3.49Å; L568-Q1520 HydrophobicContact CD2-CB 4.03Å; L568-Q1520 HydrophobicContact CD2-CG 3.78Å; L568-L1524 HydrophobicContact CD1-CD1 4.09Å |
| 569 | H | 71 | Confident | 79 | Confident | 71 Ų | 71 | 39 Ų | 39 | 33% | 0.329 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 148.8 | 176.3 | -166 | -81.3 | 0 | 0 | 0 | 111.5 | Y564 N565 I571 | Y564-H569 HydrophobicContact CD1-CB 4.24Å; Y564-H569 HydrophobicContact CE1-CB 4.12Å; Y564-H569 PolarHBondContact O-N 3.46Å; N565-H569 HydrophobicContact CB-CB 4.47Å; H569-I571 VanDerWaalsContact C-N 3.29Å; H569-I571 PolarHBondContact O-N 2.98Å |
| 570 | N | 71.2 | Confident | 79.4 | Confident | 92 Ų | 92 | 34 Ų | 34 | 49% | 0.492 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 44.2 | -173.3 | -65.4 | -8.6 | 0 | 0 | 0 | 113.7 | P1493 | N570-P1493 HydrophobicContact CB-CB 4.32Å; N570-P1493 VanDerWaalsContact O-CB 3.28Å; N570-P1493 WeakPolarHBondContact O-CB 3.48Å |
| 571 | I | 79.6 | Confident | 79.6 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.4 | 165.6 | -63.5 | -174.4 | 0 | 0 | 0 | 109.5 | S78 L567 H569 K1495 I1497 | S78-I571 WeakPolarHBondContact CB-O 3.38Å; L567-I571 WeakPolarHBondContact O-CD1 3.33Å; H569-I571 VanDerWaalsContact C-N 3.29Å; H569-I571 PolarHBondContact O-N 2.98Å; I571-K1495 WeakPolarHBondContact CA-O 3.21Å; I571-K1495 HydrophobicContact CG1-CB 4.13Å; I571-I1497 HydrophobicContact CD1-CD1 4.34Å; I571-I1497 HydrophobicContact CG2-CD1 3.8Å; I571-I1497 HydrophobicContact CG2-CG1 3.81Å |
| 572 | G | 82.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | P1493 K1495 I1496 I1497 | G572-P1493 VanDerWaalsContact CA-CG 3.42Å; G572-K1495 PolarHBondContact N-O 3.42Å; G572-I1496 CarbonylContact O-C 3.22Å; G572-I1496 WeakPolarHBondContact O-CA 3.2Å; G572-I1497 PolarHBondContact O-N 2.9Å |
| 573 | I | 88.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.8 | 177.1 | -56.4 | 179.6 | 0 | 0 | 0 | 109.9 | M76 S78 E544 M575 I1497 I1499 L1513 L1516 | M76-I573 HydrophobicContact CB-CB 4.14Å; M76-I573 HydrophobicContact CB-CG2 4.42Å; M76-I573 WeakPolarHBondContact CB-O 3.43Å; M76-I573 HydrophobicContact CG-CB 4.13Å; M76-I573 HydrophobicContact CG-CG2 3.86Å; M76-I573 PolarHBondContact N-O 3.31Å; S78-I573 PolarHBondContact OG-N 3.48Å; E544-I573 HydrophobicContact CG-CD1 4.5Å; I573-M575 HydrophobicContact CG2-SD 4.45Å; I573-I1497 WeakPolarHBondContact CA-O 3.42Å; I573-I1499 HydrophobicContact CG2-CD1 4.19Å; I573-L1513 HydrophobicContact CD1-CD1 4.2Å; I573-L1516 HydrophobicContact CD1-CD2 4.14Å |
| 574 | E | 88.5 | Confident | 80 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143.8 | 164.3 | 49.3 | 165 | -179.6 | 0 | 0 | 111.5 | S73 Q74 M79 I1496 I1497 R1498 I1499 | S73-E574 WeakPolarHBondContact CB-OE2 3.38Å; S73-E574 PolarHBondContact OG-OE2 2.98Å; Q74-E574 CarbonylContact O-C 3.47Å; Q74-E574 VanDerWaalsContact O-CA 3.31Å; Q74-E574 WeakPolarHBondContact O-CA 3.26Å; M79-E574 HydrophobicContact CE-CB 3.89Å; M79-E574 HydrophobicContact CE-CG 3.93Å; E574-I1496 HydrophobicContact CG-CG2 3.95Å; E574-I1497 PolarHBondContact N-O 2.8Å; E574-R1498 VanDerWaalsContact CD-NE 3.27Å; E574-R1498 HydrophobicContact CG-CB 3.82Å; E574-R1498 HydrophobicContact CG-CG 3.99Å; E574-R1498 CarbonylContact O-C 3.6Å; E574-R1498 VanDerWaalsContact O-CA 3.27Å; E574-R1498 WeakPolarHBondContact O-CA 3.39Å; E574-R1498 IonicContact OE1-CZ 3.94Å; E574-R1498 IonicContact OE1-NE 2.92Å; E574-R1498 PolarHBondContact OE1-NE 3.2Å; E574-R1498 IonicContact OE1-NH2 2.73Å; E574-R1498 PolarHBondContact OE1-NH2 3.26Å; E574-R1498 IonicContact OE2-CZ 3.77Å; E574-R1498 IonicContact OE2-NE 3.54Å; E574-R1498 IonicContact OE2-NH2 3.54Å; E574-R1498 PolarHBondContact OE2-NH2 3.36Å; E574-I1499 PolarHBondContact O-N 2.93Å |
| 575 | M | 89 | Confident | 79.8 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.7 | 177.4 | -57 | -68.3 | -83 | 0 | 0 | 108.8 | S73 Q74 M76 F535 I573 I1499 Y1501 P1509 | S73-M575 WeakPolarHBondContact CA-O 3.38Å; Q74-M575 PolarHBondContact N-O 3.5Å; Q74-M575 PolarHBondContact O-N 3.38Å; M76-M575 HydrophobicContact CE-CB 4.07Å; M76-M575 HydrophobicContact CE-CG 3.5Å; M76-M575 HydrophobicContact CG-CG 3.79Å; M76-M575 HydrophobicContact SD-CG 3.44Å; M76-M575 WeakPolarHBondContact SD-CG 3.41Å; M76-M575 HydrophobicContact SD-SD 4.47Å; F535-M575 HydrophobicContact CE1-CB 4Å; F535-M575 HydrophobicContact CE1-CG 4.07Å; F535-M575 HydrophobicContact CZ-CB 4.15Å; F535-M575 HydrophobicContact CZ-CE 4.29Å; F535-M575 HydrophobicContact CZ-CG 4.45Å; I573-M575 HydrophobicContact CG2-SD 4.45Å; M575-I1499 HydrophobicContact CE-CB 4.46Å; M575-I1499 HydrophobicContact CE-CG2 4.19Å; M575-I1499 HydrophobicContact SD-CB 3.67Å; M575-I1499 HydrophobicContact SD-CD1 3.77Å; M575-I1499 HydrophobicContact SD-CG1 4.22Å; M575-I1499 HydrophobicContact SD-CG2 4.06Å; M575-Y1501 HydrophobicContact CB-CD1 4.43Å; M575-Y1501 HydrophobicContact CB-CE1 4.04Å; M575-Y1501 HydrophobicContact CE-CD1 4.49Å; M575-P1509 HydrophobicContact CE-CB 3.5Å; M575-P1509 WeakPolarHBondContact CE-O 3.47Å |
| 576 | K | 88.6 | Confident | 79.9 | Confident | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.022 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.6 | 175.2 | -169.8 | 164.6 | 178.6 | 166.4 | 0 | 111.7 | F71 D100 R1498 I1499 W1500 Y1501 | F71-K576 WeakPolarHBondContact O-CE 3.49Å; D100-K576 WeakPolarHBondContact OD1-CE 3.18Å; D100-K576 IonicContact OD1-NZ 3.39Å; D100-K576 PolarHBondContact OD1-NZ 2.76Å; D100-K576 IonicContact OD2-NZ 2.67Å; D100-K576 PolarHBondContact OD2-NZ 3.22Å; K576-R1498 HydrophobicContact CB-CG 3.96Å; K576-I1499 PolarHBondContact N-O 3.45Å; K576-W1500 HydrophobicContact CB-CD2 4.35Å; K576-W1500 HydrophobicContact CB-CE3 4.25Å; K576-W1500 HydrophobicContact CD-CE3 4.33Å; K576-W1500 HydrophobicContact CD-CH2 3.59Å; K576-W1500 HydrophobicContact CD-CZ2 3.94Å; K576-W1500 HydrophobicContact CD-CZ3 3.79Å; K576-W1500 HydrophobicContact CG-CE3 4.02Å; K576-W1500 HydrophobicContact CG-CH2 4.17Å; K576-W1500 HydrophobicContact CG-CZ3 3.83Å; K576-W1500 CarbonylContact O-C 3.51Å; K576-W1500 VanDerWaalsContact O-CA 3.27Å; K576-W1500 WeakPolarHBondContact O-CA 3.44Å; K576-Y1501 WeakPolarHBondContact O-CD1 3.26Å; K576-Y1501 PolarHBondContact O-N 3.17Å |
| 577 | M | 88.6 | Confident | 80.2 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 145 | -179.3 | -172.3 | 174.2 | 177 | 0 | 0 | 111 | F71 P524 M532 Y1501 N1503 | F71-M577 HydrophobicContact CB-CB 4.03Å; F71-M577 HydrophobicContact CD1-SD 4.3Å; F71-M577 HydrophobicContact CD2-CB 3.74Å; F71-M577 HydrophobicContact CD2-CG 3.73Å; F71-M577 HydrophobicContact CD2-SD 3.65Å; F71-M577 HydrophobicContact CE1-SD 4.26Å; F71-M577 HydrophobicContact CE2-CE 3.94Å; F71-M577 HydrophobicContact CE2-CG 4.04Å; F71-M577 HydrophobicContact CE2-SD 3.59Å; F71-M577 VanDerWaalsContact CE2-SD 3.59Å; F71-M577 HydrophobicContact CG-CB 4.02Å; F71-M577 HydrophobicContact CG-CG 4.35Å; F71-M577 HydrophobicContact CG-SD 4.01Å; F71-M577 HydrophobicContact CZ-CE 4.19Å; F71-M577 HydrophobicContact CZ-SD 3.91Å; P524-M577 HydrophobicContact CB-CE 3.58Å; P524-M577 WeakPolarHBondContact O-CE 3.26Å; M532-M577 HydrophobicContact CE-CE 3.89Å; M532-M577 HydrophobicContact CE-SD 3.39Å; M532-M577 WeakPolarHBondContact CE-SD 3.15Å; M577-Y1501 CarbonylContact C-O 3.54Å; M577-Y1501 WeakPolarHBondContact CA-O 3.15Å; M577-Y1501 HydrophobicContact CB-CE1 4.21Å; M577-Y1501 HydrophobicContact CB-CE2 4.35Å; M577-Y1501 HydrophobicContact CG-CE2 4.26Å; M577-N1503 HydrophobicContact CE-CB 3.84Å |
| 578 | F | 88.2 | Confident | 80.7 | Confident | 19 Ų | 19 | 34.1 Ų | 34.1 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 136.4 | 173.3 | -82.4 | 26.6 | 0 | 0 | 0 | 111.2 | F1326 L1430 M1441 W1500 Y1501 D1502 | F578-F1326 HydrophobicContact CE1-CE1 4.12Å; F578-F1326 AromaticContact CZ-CE1 3.99Å; F578-F1326 HydrophobicContact CZ-CE1 3.99Å; F578-L1430 HydrophobicContact CD1-CD1 3.85Å; F578-L1430 HydrophobicContact CD2-CD1 4.26Å; F578-L1430 HydrophobicContact CD2-CD2 4.23Å; F578-L1430 HydrophobicContact CE1-CD1 3.99Å; F578-L1430 HydrophobicContact CE2-CD1 4.4Å; F578-L1430 HydrophobicContact CE2-CD2 3.82Å; F578-L1430 HydrophobicContact CG-CD1 3.99Å; F578-L1430 HydrophobicContact CZ-CD1 4.26Å; F578-L1430 HydrophobicContact CZ-CD2 3.98Å; F578-M1441 HydrophobicContact CE2-CG 3.9Å; F578-M1441 HydrophobicContact CE2-SD 4.04Å; F578-M1441 HydrophobicContact CZ-CG 3.83Å; F578-M1441 HydrophobicContact CZ-SD 3.96Å; F578-W1500 HydrophobicContact CD1-CB 4.3Å; F578-W1500 HydrophobicContact CD1-CE3 4.41Å; F578-W1500 HydrophobicContact CE1-CB 3.9Å; F578-Y1501 VanDerWaalsContact CD1-O 3.26Å; F578-Y1501 WeakPolarHBondContact CD1-O 3.39Å; F578-Y1501 PolarHBondContact N-O 3.46Å; F578-D1502 HydrophobicContact CB-CB 4.32Å; F578-D1502 HydrophobicContact CD1-CB 4.33Å; F578-D1502 HydrophobicContact CD2-CB 3.7Å; F578-D1502 VanDerWaalsContact CD2-OD2 3.3Å; F578-D1502 WeakPolarHBondContact CD2-OD2 3.37Å; F578-D1502 HydrophobicContact CE2-CB 4.03Å; F578-D1502 HydrophobicContact CG-CB 3.87Å; F578-D1502 HydrophobicContact CZ-CB 4.48Å |
| 579 | P | 87.6 | Confident | 80.8 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.071 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 148.1 | 174.7 | 32.9 | -35.9 | 0 | 0 | 0 | 111.1 | C69 F70 L1430 L1431 | C69-P579 CarbonylContact O-C 3.54Å; C69-P579 VanDerWaalsContact O-CA 3.24Å; C69-P579 WeakPolarHBondContact O-CA 3.37Å; F70-P579 HydrophobicContact CD1-CB 3.73Å; F70-P579 HydrophobicContact CE1-CB 4.02Å; F70-P579 HydrophobicContact CG-CB 4.35Å; P579-L1430 HydrophobicContact CG-CB 4.29Å; P579-L1431 HydrophobicContact CB-CD1 4.44Å; P579-L1431 HydrophobicContact CB-CD2 3.95Å; P579-L1431 HydrophobicContact CB-CG 4.07Å; P579-L1431 HydrophobicContact CG-CD2 4.12Å; P579-L1431 HydrophobicContact CG-CG 3.87Å |
| 580 | T | 80.8 | Confident | 80.9 | Confident | 27 Ų | 27 | 31.5 Ų | 31.5 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -112.5 | 134.7 | 175 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | S68 C69 P524 L1431 | S68-T580 CarbonylContact C-O 3.51Å; S68-T580 WeakPolarHBondContact CA-O 3.13Å; C69-T580 VanDerWaalsContact CB-OG1 3.27Å; C69-T580 WeakPolarHBondContact CB-OG1 3.08Å; C69-T580 PolarHBondContact N-O 3.1Å; C69-T580 PolarHBondContact O-N 2.82Å; P524-T580 HydrophobicContact CB-CG2 3.86Å; P524-T580 HydrophobicContact CG-CG2 4.45Å; T580-L1431 VanDerWaalsContact C-CD2 3.43Å |
| 581 | G | 77.6 | Confident | 81 | Confident | 33 Ų | 33 | 33 Ų | 33 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | trans | -64.3 | 171.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y583 L1431 | G581-Y583 WeakPolarHBondContact O-CD1 3.37Å; G581-L1431 VanDerWaalsContact N-CD2 3.28Å | ||
| 582 | S | 79.3 | Confident | 80.9 | Confident | 96 Ų | 96 | 32.9 Ų | 32.9 | 67% | 0.671 | 18% | 0.178 | S | C | * | . | trans | -63.9 | 143 | 175.7 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | K66 | K66-S582 VanDerWaalsContact O-CA 3.31Å; K66-S582 WeakPolarHBondContact O-CA 3.41Å; K66-S582 WeakPolarHBondContact O-CB 3.4Å | ||
| 583 | Y | 75.2 | Confident | 80.5 | Confident | 34 Ų | 34 | 32.9 Ų | 32.9 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 161.4 | -176.2 | 66.5 | -80.8 | 0 | 0 | 0 | 112.9 | K66 P522 G581 F585 | K66-Y583 HydrophobicContact CB-CD1 4.03Å; K66-Y583 HydrophobicContact CB-CE1 3.67Å; K66-Y583 HydrophobicContact CB-CE2 4.27Å; K66-Y583 HydrophobicContact CB-CG 4.47Å; K66-Y583 HydrophobicContact CG-CE1 4.22Å; K66-Y583 HydrophobicContact CG-CE2 4.01Å; K66-Y583 PolarHBondContact N-O 3.13Å; K66-Y583 PolarHBondContact O-N 3.47Å; K66-Y583 VanDerWaalsContact O-N 3.07Å; P522-Y583 HydrophobicContact CG-CD2 4.2Å; P522-Y583 HydrophobicContact CG-CG 4.27Å; P522-Y583 WeakPolarHBondContact O-CD1 3.38Å; P522-Y583 WeakPolarHBondContact O-CD2 3.3Å; G581-Y583 WeakPolarHBondContact O-CD1 3.37Å; Y583-F585 HydrophobicContact CD2-CB 4.31Å; Y583-F585 HydrophobicContact CE2-CB 4.03Å; Y583-F585 HydrophobicContact CE2-CD2 4.42Å |
| 584 | Y | 74.3 | Confident | 79.8 | Confident | 177 Ų | 177 | 36 Ų | 36 | 69% | 0.694 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.3 | 170.6 | -59.5 | -86.6 | 0 | 0 | 0 | 109 | I63 D64 T65 | I63-Y584 HydrophobicContact CG2-CD1 4.12Å; D64-Y584 CarbonylContact O-C 2.98Å; D64-Y584 WeakPolarHBondContact O-CA 3.29Å; T65-Y584 HydrophobicContact CG2-CD1 3.71Å; T65-Y584 HydrophobicContact CG2-CE1 3.52Å |
| 585 | F | 74.8 | Confident | 79.2 | Confident | 49 Ų | 49 | 39.4 Ų | 39.4 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.3 | 174.9 | -172.4 | -102.5 | 0 | 0 | 0 | 110.4 | D64 I521 M523 Y583 | D64-F585 HydrophobicContact CB-CB 4.27Å; D64-F585 PolarHBondContact N-O 3.02Å; D64-F585 PolarHBondContact O-N 3.12Å; I521-F585 HydrophobicContact CG2-CD2 4.27Å; I521-F585 HydrophobicContact CG2-CE2 4.2Å; M523-F585 HydrophobicContact SD-CE2 4.3Å; Y583-F585 HydrophobicContact CD2-CB 4.31Å; Y583-F585 HydrophobicContact CE2-CB 4.03Å; Y583-F585 HydrophobicContact CE2-CD2 4.42Å |
| 586 | D | 76.1 | Confident | 78.8 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | trans | -105.2 | 87.6 | 179.7 | -166.8 | -22 | 0 | 0 | 0 | 110.6 | R58 L588 L589 V590 | R58-D586 IonicContact CZ-OD1 3.73Å; R58-D586 IonicContact CZ-OD2 2.7Å; R58-D586 VanDerWaalsContact NH1-CG 3.3Å; R58-D586 IonicContact NH1-OD1 3.45Å; R58-D586 PolarHBondContact NH1-OD1 3.37Å; R58-D586 IonicContact NH1-OD2 2.7Å; R58-D586 PolarHBondContact NH1-OD2 3.25Å; R58-D586 IonicContact NH2-OD1 2.91Å; R58-D586 IonicContact NH2-OD2 3.48Å; R58-D586 PolarHBondContact NH2-OD2 2.92Å; D586-L588 PolarHBondContact O-N 3.38Å; D586-L588 PolarHBondContact OD1-N 3.1Å; D586-L589 HydrophobicContact CB-CB 3.88Å; D586-L589 PolarHBondContact O-N 2.63Å; D586-L589 PolarHBondContact OD1-N 3.04Å; D586-L589 WeakPolarHBondContact OD2-CB 3.32Å; D586-V590 WeakPolarHBondContact O-CG2 3.49Å; D586-V590 PolarHBondContact O-N 3.09Å | ||
| 587 | S | 76.9 | Confident | 78.5 | Confident | 32 Ų | 32 | 39 Ų | 39 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.9 | -33.2 | 179.7 | 61.9 | 0 | 0 | 0 | 0 | 113 | N591 | S587-N591 WeakPolarHBondContact O-CB 3.35Å; S587-N591 VanDerWaalsContact O-CG 3.25Å; S587-N591 PolarHBondContact O-N 3.02Å; S587-N591 PolarHBondContact O-ND2 3.08Å; S587-N591 VanDerWaalsContact O-ND2 3.07Å |
| 588 | L | 80.7 | Confident | 78 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.8 | -49.6 | 176.9 | 178.6 | 152.2 | 0 | 0 | 0 | 111.1 | I57 R58 H61 D586 V590 N591 I592 | I57-L588 HydrophobicContact CB-CD1 4.39Å; I57-L588 HydrophobicContact CG2-CD1 3.87Å; R58-L588 VanDerWaalsContact CA-CD1 3.49Å; R58-L588 HydrophobicContact CB-CD1 3.82Å; H61-L588 HydrophobicContact CB-CB 3.8Å; H61-L588 HydrophobicContact CB-CD1 4.15Å; D586-L588 PolarHBondContact O-N 3.38Å; D586-L588 PolarHBondContact OD1-N 3.1Å; L588-V590 VanDerWaalsContact C-N 3.33Å; L588-V590 PolarHBondContact O-N 3.1Å; L588-N591 PolarHBondContact O-N 3.17Å; L588-I592 HydrophobicContact CD1-CD1 4.35Å; L588-I592 HydrophobicContact CD2-CB 4.47Å; L588-I592 HydrophobicContact CD2-CD1 3.85Å; L588-I592 HydrophobicContact CD2-CG1 4.45Å; L588-I592 HydrophobicContact CG-CD1 3.79Å; L588-I592 HydrophobicContact CG-CG1 4.4Å; L588-I592 VanDerWaalsContact O-CB 3.28Å; L588-I592 WeakPolarHBondContact O-CB 3.41Å; L588-I592 WeakPolarHBondContact O-CG1 3.4Å; L588-I592 PolarHBondContact O-N 3.43Å |
| 589 | L | 77.2 | Confident | 77.8 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -34.9 | -176 | -172.5 | 60.8 | 0 | 0 | 0 | 111.9 | D586 I592 I593 N751 E754 L755 | D586-L589 HydrophobicContact CB-CB 3.88Å; D586-L589 PolarHBondContact O-N 2.63Å; D586-L589 PolarHBondContact OD1-N 3.04Å; D586-L589 WeakPolarHBondContact OD2-CB 3.32Å; L589-I592 PolarHBondContact O-N 2.98Å; L589-I593 WeakPolarHBondContact O-CB 3.42Å; L589-I593 PolarHBondContact O-N 3.42Å; L589-N751 HydrophobicContact CD1-CB 4.43Å; L589-E754 HydrophobicContact CD2-CB 4.06Å; L589-E754 HydrophobicContact CD2-CG 3.85Å; L589-L755 HydrophobicContact CB-CD2 3.99Å; L589-L755 HydrophobicContact CD2-CD2 3.8Å; L589-L755 HydrophobicContact CD2-CG 3.73Å; L589-L755 HydrophobicContact CG-CD1 4.37Å; L589-L755 HydrophobicContact CG-CD2 3.81Å; L589-L755 HydrophobicContact CG-CG 3.82Å |
| 590 | V | 73.5 | Confident | 77.8 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 171.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | I521 D586 L588 I593 L755 | I521-V590 HydrophobicContact CD1-CG1 4.2Å; I521-V590 HydrophobicContact CD1-CG2 4.16Å; D586-V590 WeakPolarHBondContact O-CG2 3.49Å; D586-V590 PolarHBondContact O-N 3.09Å; L588-V590 VanDerWaalsContact C-N 3.33Å; L588-V590 PolarHBondContact O-N 3.1Å; V590-I593 WeakPolarHBondContact O-CG2 3.45Å; V590-L755 HydrophobicContact CG2-CD2 3.71Å |
| 591 | N | 73.2 | Confident | 78 | Confident | 123 Ų | 123 | 40 Ų | 40 | 66% | 0.658 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -73.1 | -31.7 | 179.5 | -72.8 | -25.2 | 0 | 0 | 0 | 113.2 | S587 L588 | S587-N591 WeakPolarHBondContact O-CB 3.35Å; S587-N591 VanDerWaalsContact O-CG 3.25Å; S587-N591 PolarHBondContact O-N 3.02Å; S587-N591 PolarHBondContact O-ND2 3.08Å; S587-N591 VanDerWaalsContact O-ND2 3.07Å; L588-N591 PolarHBondContact O-N 3.17Å |
| 592 | I | 77.2 | Confident | 78.2 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.087 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -92.6 | -9.4 | -175.3 | -69.3 | -172.6 | 0 | 0 | 0 | 113 | I54 L588 L589 F594 L595 L596 | I54-I592 HydrophobicContact CG2-CD1 4.34Å; L588-I592 HydrophobicContact CD1-CD1 4.35Å; L588-I592 HydrophobicContact CD2-CB 4.47Å; L588-I592 HydrophobicContact CD2-CD1 3.85Å; L588-I592 HydrophobicContact CD2-CG1 4.45Å; L588-I592 HydrophobicContact CG-CD1 3.79Å; L588-I592 HydrophobicContact CG-CG1 4.4Å; L588-I592 VanDerWaalsContact O-CB 3.28Å; L588-I592 WeakPolarHBondContact O-CB 3.41Å; L588-I592 WeakPolarHBondContact O-CG1 3.4Å; L588-I592 PolarHBondContact O-N 3.43Å; L589-I592 PolarHBondContact O-N 2.98Å; I592-F594 VanDerWaalsContact C-N 3.27Å; I592-F594 PolarHBondContact O-N 2.87Å; I592-L595 PolarHBondContact O-N 2.92Å; I592-L596 HydrophobicContact CG2-CB 3.91Å; I592-L596 HydrophobicContact CG2-CD1 4.21Å; I592-L596 PolarHBondContact O-N 3.29Å |
| 593 | I | 74.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -43.4 | -176.9 | -169.8 | 179 | 0 | 0 | 0 | 114.2 | L519 L589 V590 P597 N751 R752 L755 | L519-I593 HydrophobicContact CD1-CD1 4.5Å; L519-I593 HydrophobicContact CD2-CD1 4.12Å; L589-I593 WeakPolarHBondContact O-CB 3.42Å; L589-I593 PolarHBondContact O-N 3.42Å; V590-I593 WeakPolarHBondContact O-CG2 3.45Å; I593-P597 WeakPolarHBondContact O-CD 2.95Å; I593-N751 HydrophobicContact CG1-CB 3.9Å; I593-N751 PolarHBondContact O-ND2 3.21Å; I593-R752 HydrophobicContact CD1-CG 4.24Å; I593-L755 HydrophobicContact CD1-CD1 3.81Å; I593-L755 HydrophobicContact CG1-CD1 4.41Å |
| 594 | F | 72.8 | Confident | 79.2 | Confident | 66 Ų | 66 | 34.3 Ų | 34.3 | 29% | 0.289 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -14.7 | -179.6 | -61.7 | -63.5 | 0 | 0 | 0 | 113.9 | I592 Q598 L721 | I592-F594 VanDerWaalsContact C-N 3.27Å; I592-F594 PolarHBondContact O-N 2.87Å; F594-Q598 WeakPolarHBondContact O-CG 3.48Å; F594-Q598 PolarHBondContact O-NE2 3.39Å; F594-L721 HydrophobicContact CD1-CB 4.18Å; F594-L721 WeakPolarHBondContact CE1-O 3.26Å |
| 595 | L | 76.9 | Confident | 79.8 | Confident | 78 Ų | 78 | 27 Ų | 27 | 41% | 0.408 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -37.9 | -177.1 | -176.3 | 63.6 | 0 | 0 | 0 | 112.3 | I592 P597 Q598 L599 | I592-L595 PolarHBondContact O-N 2.92Å; L595-P597 VanDerWaalsContact C-CD 3.43Å; L595-Q598 WeakPolarHBondContact O-CB 3.27Å; L595-Q598 WeakPolarHBondContact O-CG 3.37Å; L595-Q598 PolarHBondContact O-N 3.3Å; L595-Q598 VanDerWaalsContact O-N 3.07Å; L595-L599 HydrophobicContact CD1-CG 4.41Å; L595-L599 HydrophobicContact CD2-CD1 4.27Å; L595-L599 HydrophobicContact CG-CD1 3.94Å; L595-L599 HydrophobicContact CG-CG 4.21Å; L595-L599 PolarHBondContact O-N 3.08Å; L595-L599 VanDerWaalsContact O-N 3.15Å |
| 596 | L | 81.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.2 | -45.7 | 180 | -163.5 | 72.4 | 0 | 0 | 0 | 113.7 | I54 I592 Q598 L599 M600 I666 W747 N751 | I54-L596 HydrophobicContact CD1-CD1 3.65Å; I592-L596 HydrophobicContact CG2-CB 3.91Å; I592-L596 HydrophobicContact CG2-CD1 4.21Å; I592-L596 PolarHBondContact O-N 3.29Å; L596-Q598 PolarHBondContact O-N 3.34Å; L596-L599 PolarHBondContact O-N 2.92Å; L596-M600 HydrophobicContact CD1-CE 4Å; L596-M600 HydrophobicContact CG-CG 4.27Å; L596-M600 WeakPolarHBondContact O-CB 3.35Å; L596-M600 VanDerWaalsContact O-CG 3.27Å; L596-M600 WeakPolarHBondContact O-CG 3.43Å; L596-M600 PolarHBondContact O-N 3.01Å; L596-I666 HydrophobicContact CD2-CD1 4.26Å; L596-W747 HydrophobicContact CD2-CE3 3.86Å; L596-W747 HydrophobicContact CD2-CZ3 4.17Å; L596-N751 VanDerWaalsContact CD2-OD1 3.31Å; L596-N751 WeakPolarHBondContact CD2-OD1 3.39Å |
| 597 | P | 81.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.4 | -31.3 | -179.5 | -19.7 | 32.6 | 0 | 0 | 0 | 112.4 | I593 L595 I601 L721 W747 I748 | I593-P597 WeakPolarHBondContact O-CD 2.95Å; L595-P597 VanDerWaalsContact C-CD 3.43Å; P597-I601 WeakPolarHBondContact O-CD1 3.47Å; P597-I601 WeakPolarHBondContact O-CG1 3.22Å; P597-I601 PolarHBondContact O-N 3.38Å; P597-L721 HydrophobicContact CB-CD1 4.29Å; P597-L721 HydrophobicContact CG-CD1 4.16Å; P597-W747 HydrophobicContact CB-CB 4.01Å; P597-W747 HydrophobicContact CG-CB 3.96Å; P597-I748 HydrophobicContact CG-CD1 4.23Å; P597-I748 HydrophobicContact CG-CG1 3.65Å |
| 598 | Q | 78.5 | Confident | 81.5 | Confident | 55 Ų | 55 | 24.6 Ų | 24.6 | 26% | 0.257 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -70.5 | -50.2 | 179.5 | -34.9 | -167.6 | 8.2 | 0 | 0 | 109.9 | F594 L595 L596 M600 I601 L602 F714 | F594-Q598 WeakPolarHBondContact O-CG 3.48Å; F594-Q598 PolarHBondContact O-NE2 3.39Å; L595-Q598 WeakPolarHBondContact O-CB 3.27Å; L595-Q598 WeakPolarHBondContact O-CG 3.37Å; L595-Q598 PolarHBondContact O-N 3.3Å; L595-Q598 VanDerWaalsContact O-N 3.07Å; L596-Q598 PolarHBondContact O-N 3.34Å; Q598-M600 PolarHBondContact O-N 3.38Å; Q598-I601 PolarHBondContact O-N 2.65Å; Q598-I601 VanDerWaalsContact O-N 3.13Å; Q598-L602 VanDerWaalsContact O-CG 3.31Å; Q598-L602 WeakPolarHBondContact O-CG 3.47Å; Q598-L602 PolarHBondContact O-N 3.23Å; Q598-F714 HydrophobicContact CB-CE1 4.27Å; Q598-F714 HydrophobicContact CB-CE2 4.25Å; Q598-F714 HydrophobicContact CB-CZ 3.59Å; Q598-F714 HydrophobicContact CG-CE2 4.28Å; Q598-F714 HydrophobicContact CG-CZ 3.63Å |
| 599 | L | 83.9 | Confident | 81.8 | Confident | 25 Ų | 25 | 26.6 Ų | 26.6 | 13% | 0.131 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 178.4 | -62.6 | 176.4 | 0 | 0 | 0 | 111.6 | F50 I54 L595 L596 I601 L602 C603 | F50-L599 HydrophobicContact CB-CB 4.45Å; F50-L599 HydrophobicContact CD1-CD2 3.74Å; F50-L599 HydrophobicContact CE1-CD2 4.26Å; F50-L599 HydrophobicContact CG-CD2 4.28Å; I54-L599 HydrophobicContact CD1-CD1 3.85Å; I54-L599 HydrophobicContact CG1-CD1 4.26Å; L595-L599 HydrophobicContact CD1-CG 4.41Å; L595-L599 HydrophobicContact CD2-CD1 4.27Å; L595-L599 HydrophobicContact CG-CD1 3.94Å; L595-L599 HydrophobicContact CG-CG 4.21Å; L595-L599 PolarHBondContact O-N 3.08Å; L595-L599 VanDerWaalsContact O-N 3.15Å; L596-L599 PolarHBondContact O-N 2.92Å; L599-I601 PolarHBondContact O-N 2.93Å; L599-L602 HydrophobicContact CD2-CD1 4.41Å; L599-L602 PolarHBondContact O-N 2.96Å; L599-C603 PolarHBondContact O-N 3.01Å; L599-C603 VanDerWaalsContact O-N 3.08Å; L599-C603 PolarHBondContact O-SG 3.21Å |
| 600 | M | 86.3 | Confident | 82.3 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.6 | -19.8 | 177.7 | -68.4 | -64.3 | 133.7 | 0 | 0 | 114.2 | V51 L596 Q598 I656 L660 Y743 W747 | V51-M600 HydrophobicContact CG2-CE 3.91Å; L596-M600 HydrophobicContact CD1-CE 4Å; L596-M600 HydrophobicContact CG-CG 4.27Å; L596-M600 WeakPolarHBondContact O-CB 3.35Å; L596-M600 VanDerWaalsContact O-CG 3.27Å; L596-M600 WeakPolarHBondContact O-CG 3.43Å; L596-M600 PolarHBondContact O-N 3.01Å; Q598-M600 PolarHBondContact O-N 3.38Å; M600-I656 HydrophobicContact SD-CG2 4.31Å; M600-L660 HydrophobicContact CE-CD2 4.45Å; M600-Y743 HydrophobicContact CB-CE1 4.21Å; M600-W747 HydrophobicContact CB-CZ2 4.48Å; M600-W747 HydrophobicContact CG-CD2 4.07Å; M600-W747 HydrophobicContact CG-CH2 4.42Å; M600-W747 HydrophobicContact CG-CZ2 3.94Å; M600-W747 HydrophobicContact SD-CH2 4.25Å; M600-W747 HydrophobicContact SD-CZ2 3.95Å |
| 601 | I | 86.3 | Confident | 83 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -88.9 | -42.9 | 172.7 | -72.4 | 170.5 | 0 | 0 | 0 | 110.6 | P597 Q598 L599 C603 W604 Y710 F714 Q740 Y743 | P597-I601 WeakPolarHBondContact O-CD1 3.47Å; P597-I601 WeakPolarHBondContact O-CG1 3.22Å; P597-I601 PolarHBondContact O-N 3.38Å; Q598-I601 PolarHBondContact O-N 2.65Å; Q598-I601 VanDerWaalsContact O-N 3.13Å; L599-I601 PolarHBondContact O-N 2.93Å; I601-C603 VanDerWaalsContact C-N 3.35Å; I601-C603 PolarHBondContact O-N 3.34Å; I601-W604 PolarHBondContact O-N 3.43Å; I601-Y710 HydrophobicContact CG2-CE1 3.74Å; I601-Y710 WeakPolarHBondContact O-CE1 3.41Å; I601-Y710 PolarHBondContact O-OH 3.11Å; I601-F714 HydrophobicContact CB-CD2 4.45Å; I601-F714 HydrophobicContact CD1-CD2 3.53Å; I601-F714 HydrophobicContact CD1-CE2 4.02Å; I601-F714 HydrophobicContact CD1-CG 4.49Å; I601-F714 HydrophobicContact CG2-CB 4.1Å; I601-F714 HydrophobicContact CG2-CD2 4.19Å; I601-F714 HydrophobicContact CG2-CG 4.17Å; I601-Q740 WeakPolarHBondContact CD1-O 3.42Å; I601-Y743 HydrophobicContact CD1-CD1 4.04Å; I601-Y743 HydrophobicContact CG1-CD1 3.53Å; I601-Y743 HydrophobicContact CG1-CE1 3.74Å |
| 602 | L | 81.6 | Confident | 83.8 | Confident | 41 Ų | 41 | 20 Ų | 20 | 22% | 0.215 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | -179.7 | -71.8 | 171.2 | 0 | 0 | 0 | 112.6 | F46 Q598 L599 W604 I605 F711 | F46-L602 WeakPolarHBondContact CE1-O 3.38Å; Q598-L602 VanDerWaalsContact O-CG 3.31Å; Q598-L602 WeakPolarHBondContact O-CG 3.47Å; Q598-L602 PolarHBondContact O-N 3.23Å; L599-L602 HydrophobicContact CD2-CD1 4.41Å; L599-L602 PolarHBondContact O-N 2.96Å; L602-W604 PolarHBondContact O-N 3.11Å; L602-I605 HydrophobicContact CD2-CD1 3.63Å; L602-I605 WeakPolarHBondContact O-CB 3.38Å; L602-I605 WeakPolarHBondContact O-CG1 3.33Å; L602-I605 PolarHBondContact O-N 3.38Å; L602-I605 VanDerWaalsContact O-N 3.1Å; L602-F711 HydrophobicContact CD2-CD2 4Å; L602-F711 HydrophobicContact CD2-CE2 4.12Å |
| 603 | C | 85.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | -42.6 | 178.5 | -75.7 | 0 | 0 | 0 | 0 | 113.8 | V47 L599 I601 I605 | V47-C603 HydrophobicContact CG1-CB 4.48Å; V47-C603 VanDerWaalsContact CG2-O 3.27Å; V47-C603 WeakPolarHBondContact CG2-O 3.31Å; V47-C603 PolarHBondContact O-SG 3.37Å; L599-C603 PolarHBondContact O-N 3.01Å; L599-C603 VanDerWaalsContact O-N 3.08Å; L599-C603 PolarHBondContact O-SG 3.21Å; I601-C603 VanDerWaalsContact C-N 3.35Å; I601-C603 PolarHBondContact O-N 3.34Å; C603-I605 PolarHBondContact O-N 2.97Å |
| 604 | W | 89.5 | Confident | 84.7 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.5 | -171.2 | -59.1 | 110.4 | 0 | 0 | 0 | 115.4 | V47 I601 L602 I606 S607 I608 M649 L652 I656 Y681 I682 | V47-W604 HydrophobicContact CG1-CH2 4.4Å; V47-W604 HydrophobicContact CG1-CZ3 4.28Å; V47-W604 HydrophobicContact CG2-CE3 4.23Å; V47-W604 HydrophobicContact CG2-CZ3 4.32Å; I601-W604 PolarHBondContact O-N 3.43Å; L602-W604 PolarHBondContact O-N 3.11Å; W604-I606 PolarHBondContact O-N 3.12Å; W604-S607 PolarHBondContact O-N 3.15Å; W604-I608 HydrophobicContact CB-CD1 4.48Å; W604-I608 WeakPolarHBondContact O-CG1 3.45Å; W604-I608 PolarHBondContact O-N 3.36Å; W604-I608 VanDerWaalsContact O-N 3.15Å; W604-M649 HydrophobicContact CB-CE 4.49Å; W604-M649 HydrophobicContact CD2-CE 3.91Å; W604-M649 HydrophobicContact CE3-CB 4.4Å; W604-M649 HydrophobicContact CE3-CE 3.46Å; W604-M649 VanDerWaalsContact CE3-CE 3.46Å; W604-M649 HydrophobicContact CE3-CG 4.07Å; W604-M649 HydrophobicContact CG-CE 4.38Å; W604-M649 HydrophobicContact CH2-CB 4.17Å; W604-M649 WeakPolarHBondContact CH2-O 3.44Å; W604-M649 HydrophobicContact CZ3-CB 3.7Å; W604-M649 HydrophobicContact CZ3-CE 4Å; W604-M649 HydrophobicContact CZ3-CG 3.76Å; W604-L652 HydrophobicContact CH2-CB 4.31Å; W604-L652 HydrophobicContact CZ3-CB 4.39Å; W604-I656 HydrophobicContact CH2-CD1 4.48Å; W604-I656 HydrophobicContact CZ2-CD1 4.18Å; W604-Y681 AromaticContact CD1-CE1 3.82Å; W604-I682 HydrophobicContact CH2-CD1 4.18Å; W604-I682 HydrophobicContact CH2-CG1 4.47Å; W604-I682 HydrophobicContact CZ2-CD1 4.24Å; W604-I682 HydrophobicContact CZ2-CG1 4.32Å |
| 605 | I | 87.9 | Confident | 85.5 | Confident | 25 Ų | 25 | 20.8 Ų | 20.8 | 13% | 0.128 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | -174.6 | -73.5 | 176.6 | 0 | 0 | 0 | 112 | F46 L602 C603 S607 I608 I609 Y710 | F46-I605 HydrophobicContact CE1-CB 4.45Å; L602-I605 HydrophobicContact CD2-CD1 3.63Å; L602-I605 WeakPolarHBondContact O-CB 3.38Å; L602-I605 WeakPolarHBondContact O-CG1 3.33Å; L602-I605 PolarHBondContact O-N 3.38Å; L602-I605 VanDerWaalsContact O-N 3.1Å; C603-I605 PolarHBondContact O-N 2.97Å; I605-S607 PolarHBondContact O-N 3.3Å; I605-I608 PolarHBondContact O-N 3.01Å; I605-I609 HydrophobicContact CG2-CD1 3.62Å; I605-I609 HydrophobicContact CG2-CG1 4.28Å; I605-I609 VanDerWaalsContact O-CG1 3.31Å; I605-I609 WeakPolarHBondContact O-CG1 3.45Å; I605-I609 PolarHBondContact O-N 3.35Å; I605-Y710 HydrophobicContact CD1-CD1 4.16Å; I605-Y710 HydrophobicContact CD1-CE1 4.27Å; I605-Y710 HydrophobicContact CG1-CD1 3.55Å; I605-Y710 HydrophobicContact CG1-CE1 3.54Å |
| 606 | I | 86.1 | Confident | 85.9 | Confident | 45 Ų | 45 | 17.1 Ų | 17.1 | 23% | 0.231 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.7 | -37.5 | -176.9 | -65.4 | -169.2 | 0 | 0 | 0 | 111.6 | E43 F46 W604 I608 I609 L610 | E43-I606 HydrophobicContact CB-CG2 4.34Å; F46-I606 HydrophobicContact CB-CD1 3.72Å; F46-I606 HydrophobicContact CB-CG1 4.42Å; F46-I606 HydrophobicContact CD1-CB 4.19Å; F46-I606 HydrophobicContact CD1-CD1 3.78Å; F46-I606 HydrophobicContact CD1-CG1 3.7Å; F46-I606 HydrophobicContact CD2-CD1 3.71Å; F46-I606 HydrophobicContact CD2-CG1 4.46Å; F46-I606 HydrophobicContact CE1-CD1 4.3Å; F46-I606 HydrophobicContact CE1-CG1 4.01Å; F46-I606 HydrophobicContact CE2-CD1 4.25Å; F46-I606 HydrophobicContact CG-CD1 3.45Å; F46-I606 VanDerWaalsContact CG-CD1 3.45Å; F46-I606 HydrophobicContact CG-CG1 3.94Å; W604-I606 PolarHBondContact O-N 3.12Å; I606-I608 VanDerWaalsContact C-N 3.32Å; I606-I608 PolarHBondContact O-N 2.84Å; I606-I609 PolarHBondContact O-N 3.38Å; I606-L610 HydrophobicContact CG2-CD1 3.75Å; I606-L610 HydrophobicContact CG2-CG 4.14Å; I606-L610 WeakPolarHBondContact O-CB 3.29Å; I606-L610 VanDerWaalsContact O-CG 3.3Å; I606-L610 WeakPolarHBondContact O-CG 3.37Å; I606-L610 PolarHBondContact O-N 3.41Å |
| 607 | S | 86.7 | Confident | 86 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 172.4 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | E43 W604 I605 L610 T611 | E43-S607 WeakPolarHBondContact CG-OG 3.39Å; E43-S607 VanDerWaalsContact OE1-CA 3.3Å; E43-S607 WeakPolarHBondContact OE1-CA 3.42Å; E43-S607 WeakPolarHBondContact OE1-CB 3.44Å; E43-S607 PolarHBondContact OE1-OG 3Å; W604-S607 PolarHBondContact O-N 3.15Å; I605-S607 PolarHBondContact O-N 3.3Å; S607-L610 PolarHBondContact O-N 3.01Å; S607-T611 WeakPolarHBondContact O-CB 3.47Å; S607-T611 VanDerWaalsContact O-CG2 3.24Å; S607-T611 WeakPolarHBondContact O-CG2 3.47Å; S607-T611 PolarHBondContact O-N 3.28Å; S607-T611 PolarHBondContact O-OG1 2.92Å |
| 608 | I | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.1 | -43.1 | 179.7 | -69.8 | 170.7 | 0 | 0 | 0 | 111.3 | W604 I605 I606 T611 V612 C685 Y688 Y710 | W604-I608 HydrophobicContact CB-CD1 4.48Å; W604-I608 WeakPolarHBondContact O-CG1 3.45Å; W604-I608 PolarHBondContact O-N 3.36Å; W604-I608 VanDerWaalsContact O-N 3.15Å; I605-I608 PolarHBondContact O-N 3.01Å; I606-I608 VanDerWaalsContact C-N 3.32Å; I606-I608 PolarHBondContact O-N 2.84Å; I608-T611 PolarHBondContact O-OG1 3.04Å; I608-V612 WeakPolarHBondContact O-CB 3.19Å; I608-V612 VanDerWaalsContact O-CG2 3.31Å; I608-V612 WeakPolarHBondContact O-CG2 3.37Å; I608-V612 PolarHBondContact O-N 2.89Å; I608-V612 VanDerWaalsContact O-N 3.13Å; I608-C685 HydrophobicContact CD1-CB 4.12Å; I608-C685 HydrophobicContact CG1-CB 4.49Å; I608-Y688 HydrophobicContact CG2-CD1 3.93Å; I608-Y688 HydrophobicContact CG2-CE1 3.72Å; I608-Y710 HydrophobicContact CD1-CD2 3.39Å; I608-Y710 HydrophobicContact CD1-CE1 4.41Å; I608-Y710 HydrophobicContact CD1-CE2 3.23Å; I608-Y710 HydrophobicContact CD1-CG 4.07Å |
| 609 | I | 88.2 | Confident | 86.3 | Confident | 46 Ų | 46 | 20.3 Ų | 20.3 | 24% | 0.236 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 175.5 | -66.8 | 172.9 | 0 | 0 | 0 | 110.6 | I605 I606 K613 S703 | I605-I609 HydrophobicContact CG2-CD1 3.62Å; I605-I609 HydrophobicContact CG2-CG1 4.28Å; I605-I609 VanDerWaalsContact O-CG1 3.31Å; I605-I609 WeakPolarHBondContact O-CG1 3.45Å; I605-I609 PolarHBondContact O-N 3.35Å; I606-I609 PolarHBondContact O-N 3.38Å; I609-K613 WeakPolarHBondContact O-CB 3.29Å; I609-K613 PolarHBondContact O-N 3.29Å; I609-S703 WeakPolarHBondContact CG1-O 3.29Å; I609-S703 WeakPolarHBondContact O-CB 3.35Å |
| 610 | L | 87.1 | Confident | 85.9 | Confident | 15 Ų | 15 | 22.4 Ų | 22.4 | 8% | 0.079 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | -176.7 | -69.6 | 175.7 | 0 | 0 | 0 | 112.8 | L39 E43 I606 S607 K613 Y614 | L39-L610 HydrophobicContact CB-CD1 4.17Å; L39-L610 HydrophobicContact CB-CD2 4.24Å; L39-L610 HydrophobicContact CD1-CD2 4.2Å; L39-L610 HydrophobicContact CD2-CD2 4.23Å; L39-L610 HydrophobicContact CG-CD2 4.46Å; E43-L610 HydrophobicContact CB-CD1 3.99Å; E43-L610 HydrophobicContact CG-CD1 4.36Å; I606-L610 HydrophobicContact CG2-CD1 3.75Å; I606-L610 HydrophobicContact CG2-CG 4.14Å; I606-L610 WeakPolarHBondContact O-CB 3.29Å; I606-L610 VanDerWaalsContact O-CG 3.3Å; I606-L610 WeakPolarHBondContact O-CG 3.37Å; I606-L610 PolarHBondContact O-N 3.41Å; S607-L610 PolarHBondContact O-N 3.01Å; L610-K613 WeakPolarHBondContact O-CB 3.48Å; L610-K613 PolarHBondContact O-N 3.02Å; L610-Y614 WeakPolarHBondContact O-CD2 3.35Å; L610-Y614 PolarHBondContact O-N 3.43Å |
| 611 | T | 88 | Confident | 85.3 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 179.3 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | S607 I608 K613 Y614 M615 S645 C689 | S607-T611 WeakPolarHBondContact O-CB 3.47Å; S607-T611 VanDerWaalsContact O-CG2 3.24Å; S607-T611 WeakPolarHBondContact O-CG2 3.47Å; S607-T611 PolarHBondContact O-N 3.28Å; S607-T611 PolarHBondContact O-OG1 2.92Å; I608-T611 PolarHBondContact O-OG1 3.04Å; T611-K613 VanDerWaalsContact C-N 3.31Å; T611-K613 PolarHBondContact O-N 3.31Å; T611-Y614 PolarHBondContact O-N 3.22Å; T611-M615 WeakPolarHBondContact O-CG 3.26Å; T611-M615 PolarHBondContact O-N 3.36Å; T611-M615 VanDerWaalsContact O-N 3.09Å; T611-S645 WeakPolarHBondContact CG2-OG 3.39Å; T611-C689 PolarHBondContact OG1-SG 3.27Å |
| 612 | V | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 171.9 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | I608 I616 C689 F692 | I608-V612 WeakPolarHBondContact O-CB 3.19Å; I608-V612 VanDerWaalsContact O-CG2 3.31Å; I608-V612 WeakPolarHBondContact O-CG2 3.37Å; I608-V612 PolarHBondContact O-N 2.89Å; I608-V612 VanDerWaalsContact O-N 3.13Å; V612-I616 HydrophobicContact CG1-CD1 3.68Å; V612-I616 WeakPolarHBondContact O-CG1 3.33Å; V612-I616 PolarHBondContact O-N 3.42Å; V612-I616 VanDerWaalsContact O-N 3.16Å; V612-C689 HydrophobicContact CG2-CB 3.88Å; V612-F692 HydrophobicContact CG1-CB 3.63Å; V612-F692 HydrophobicContact CG1-CG 4.27Å; V612-F692 HydrophobicContact CG2-CB 4.11Å; V612-F692 HydrophobicContact CG2-CG 4.45Å |
| 613 | K | 85.9 | Confident | 84.9 | Confident | 65 Ų | 65 | 31.6 Ų | 31.6 | 28% | 0.283 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.2 | -55.2 | 176 | -176.6 | -175.9 | 170.3 | -172.7 | 0 | 111.7 | I609 L610 T611 M615 I616 D617 | I609-K613 WeakPolarHBondContact O-CB 3.29Å; I609-K613 PolarHBondContact O-N 3.29Å; L610-K613 WeakPolarHBondContact O-CB 3.48Å; L610-K613 PolarHBondContact O-N 3.02Å; T611-K613 VanDerWaalsContact C-N 3.31Å; T611-K613 PolarHBondContact O-N 3.31Å; K613-M615 PolarHBondContact O-N 2.96Å; K613-I616 PolarHBondContact O-N 3.06Å; K613-D617 WeakPolarHBondContact CE-OD2 3.26Å; K613-D617 WeakPolarHBondContact CG-OD2 3.31Å; K613-D617 WeakPolarHBondContact O-CB 3.31Å; K613-D617 PolarHBondContact O-N 2.95Å |
| 614 | Y | 86.3 | Confident | 84.6 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 11% | 0.114 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | -177 | -77.5 | -64.5 | 0 | 0 | 0 | 112.7 | R33 L610 T611 I616 D617 E618 W641 | R33-Y614 HydrophobicContact CG-CE2 4.1Å; L610-Y614 WeakPolarHBondContact O-CD2 3.35Å; L610-Y614 PolarHBondContact O-N 3.43Å; T611-Y614 PolarHBondContact O-N 3.22Å; Y614-I616 VanDerWaalsContact C-N 3.28Å; Y614-I616 PolarHBondContact O-N 3.46Å; Y614-D617 PolarHBondContact O-N 3.31Å; Y614-E618 PolarHBondContact O-N 3.34Å; Y614-W641 AromaticContact CD1-CH2 3.85Å; Y614-W641 HydrophobicContact CD1-CH2 3.85Å; Y614-W641 HydrophobicContact CD1-CZ3 4.32Å; Y614-W641 HydrophobicContact CD2-CZ3 4.21Å; Y614-W641 AromaticContact CG-CH2 3.8Å; Y614-W641 HydrophobicContact CG-CH2 3.8Å; Y614-W641 AromaticContact CG-CZ3 3.85Å; Y614-W641 HydrophobicContact CG-CZ3 3.85Å |
| 615 | M | 88 | Confident | 83.9 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -32.2 | 177.7 | -70.1 | 179.5 | 178.2 | 0 | 0 | 113 | T611 K613 W641 I642 T693 | T611-M615 WeakPolarHBondContact O-CG 3.26Å; T611-M615 PolarHBondContact O-N 3.36Å; T611-M615 VanDerWaalsContact O-N 3.09Å; K613-M615 PolarHBondContact O-N 2.96Å; M615-W641 HydrophobicContact CE-CB 3.59Å; M615-W641 HydrophobicContact CG-CB 4.01Å; M615-W641 HydrophobicContact CG-CG 4.06Å; M615-I642 HydrophobicContact CE-CG1 3.88Å; M615-T693 HydrophobicContact CB-CG2 3.61Å; M615-T693 HydrophobicContact CG-CG2 4.23Å; M615-T693 HydrophobicContact SD-CG2 3.6Å; M615-T693 VanDerWaalsContact SD-CG2 3.6Å |
| 616 | I | 86.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -89.9 | -30.9 | -179.1 | -60.7 | 173.7 | 0 | 0 | 0 | 111.8 | V612 K613 Y614 E618 K619 D620 F692 A702 | V612-I616 HydrophobicContact CG1-CD1 3.68Å; V612-I616 WeakPolarHBondContact O-CG1 3.33Å; V612-I616 PolarHBondContact O-N 3.42Å; V612-I616 VanDerWaalsContact O-N 3.16Å; K613-I616 PolarHBondContact O-N 3.06Å; Y614-I616 VanDerWaalsContact C-N 3.28Å; Y614-I616 PolarHBondContact O-N 3.46Å; I616-E618 VanDerWaalsContact C-N 3.26Å; I616-E618 PolarHBondContact O-N 3.03Å; I616-K619 WeakPolarHBondContact O-CA 3.41Å; I616-K619 WeakPolarHBondContact O-CB 3.44Å; I616-K619 PolarHBondContact O-N 2.94Å; I616-D620 PolarHBondContact O-N 3.37Å; I616-F692 HydrophobicContact CD1-CB 4.33Å; I616-A702 HydrophobicContact CD1-CB 3.42Å; I616-A702 VanDerWaalsContact CD1-CB 3.42Å |
| 617 | D | 83 | Confident | 83.3 | Confident | 48 Ų | 48 | 33.9 Ų | 33.9 | 26% | 0.257 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58 | -36.8 | 171.3 | -82.6 | -27.4 | 0 | 0 | 0 | 111.4 | K613 Y614 N621 S699 | K613-D617 WeakPolarHBondContact CE-OD2 3.26Å; K613-D617 WeakPolarHBondContact CG-OD2 3.31Å; K613-D617 WeakPolarHBondContact O-CB 3.31Å; K613-D617 PolarHBondContact O-N 2.95Å; Y614-D617 PolarHBondContact O-N 3.31Å; D617-N621 WeakPolarHBondContact O-CB 3.46Å; D617-N621 PolarHBondContact O-N 3.39Å; D617-N621 PolarHBondContact O-ND2 3.16Å; D617-S699 WeakPolarHBondContact OD1-CB 3.34Å; D617-S699 PolarHBondContact OD1-OG 2.72Å |
| 618 | E | 83.6 | Confident | 82.8 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.6 | -30.3 | 173.1 | -69.6 | -160.6 | 128.9 | 0 | 0 | 113.6 | K28 Y614 I616 R622 L623 I624 N637 W641 Y970 | K28-E618 IonicContact NZ-OE1 3.74Å; K28-E618 PolarHBondContact NZ-OE1 3.35Å; K28-E618 IonicContact NZ-OE2 2.67Å; K28-E618 PolarHBondContact NZ-OE2 2.96Å; Y614-E618 PolarHBondContact O-N 3.34Å; I616-E618 VanDerWaalsContact C-N 3.26Å; I616-E618 PolarHBondContact O-N 3.03Å; E618-R622 PolarHBondContact O-N 3.14Å; E618-L623 HydrophobicContact CB-CB 4.48Å; E618-L623 PolarHBondContact O-N 3.31Å; E618-I624 HydrophobicContact CB-CD1 4.2Å; E618-I624 HydrophobicContact CB-CG1 3.97Å; E618-N637 PolarHBondContact OE2-ND2 2.83Å; E618-W641 PolarHBondContact OE2-NE1 2.92Å; E618-Y970 HydrophobicContact CG-CE1 4.41Å; E618-Y970 WeakPolarHBondContact OE1-CE1 3.38Å; E618-Y970 PolarHBondContact OE1-OH 3.3Å |
| 619 | K | 82 | Confident | 82 | Confident | 68 Ų | 68 | 36.5 Ų | 36.5 | 30% | 0.296 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -77 | -46.8 | 180 | -173.9 | -172.5 | 174.4 | -174.4 | 0 | 111.7 | I616 N621 R622 I624 T693 L695 | I616-K619 WeakPolarHBondContact O-CA 3.41Å; I616-K619 WeakPolarHBondContact O-CB 3.44Å; I616-K619 PolarHBondContact O-N 2.94Å; K619-N621 VanDerWaalsContact C-N 3.26Å; K619-N621 PolarHBondContact O-N 2.92Å; K619-R622 PolarHBondContact O-N 3.38Å; K619-I624 HydrophobicContact CB-CD1 3.94Å; K619-T693 PolarHBondContact NZ-O 2.96Å; K619-L695 PolarHBondContact NZ-O 2.95Å |
| 620 | D | 75.8 | Confident | 81.3 | Confident | 70 Ų | 70 | 34.6 Ų | 34.6 | 37% | 0.374 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.3 | -37.8 | 178.8 | -80.7 | -12.6 | 0 | 0 | 0 | 111.2 | I616 R622 R698 S699 | I616-D620 PolarHBondContact O-N 3.37Å; D620-R622 VanDerWaalsContact C-N 3.28Å; D620-R622 PolarHBondContact O-N 2.96Å; D620-R698 VanDerWaalsContact OD2-CA 3.29Å; D620-R698 WeakPolarHBondContact OD2-CA 3.22Å; D620-S699 PolarHBondContact OD2-N 2.98Å |
| 621 | N | 74.4 | Confident | 80.5 | Confident | 97 Ų | 97 | 34.8 Ų | 34.8 | 52% | 0.519 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.8 | 175.7 | -68.1 | -48.1 | 0 | 0 | 0 | 114.3 | D617 K619 L623 | D617-N621 WeakPolarHBondContact O-CB 3.46Å; D617-N621 PolarHBondContact O-N 3.39Å; D617-N621 PolarHBondContact O-ND2 3.16Å; K619-N621 VanDerWaalsContact C-N 3.26Å; K619-N621 PolarHBondContact O-N 2.92Å; N621-L623 HydrophobicContact CB-CD1 3.75Å; N621-L623 HydrophobicContact CB-CG 4.13Å; N621-L623 PolarHBondContact O-N 3.11Å; N621-L623 VanDerWaalsContact O-N 3.12Å |
| 622 | R | 76.8 | Confident | 80 | Confident | 128 Ų | 128 | 34.8 Ų | 34.8 | 48% | 0.483 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 21.9 | -179.2 | -52.3 | 179.6 | -173.6 | 167.6 | 0.9 | 115.3 | E618 K619 D620 I624 D625 Y626 Y966 | E618-R622 PolarHBondContact O-N 3.14Å; K619-R622 PolarHBondContact O-N 3.38Å; D620-R622 VanDerWaalsContact C-N 3.28Å; D620-R622 PolarHBondContact O-N 2.96Å; R622-I624 VanDerWaalsContact C-N 3.26Å; R622-I624 PolarHBondContact O-N 3.42Å; R622-D625 PolarHBondContact O-N 3.15Å; R622-Y626 PolarHBondContact O-N 3.45Å; R622-Y966 HydrophobicContact CB-CE2 4.21Å; R622-Y966 WeakPolarHBondContact CD-OH 3.31Å |
| 623 | L | 81 | Confident | 79.3 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -35 | 177.8 | -70.3 | 152.8 | 0 | 0 | 0 | 110.8 | E618 N621 Y626 L627 I968 Y970 | E618-L623 HydrophobicContact CB-CB 4.48Å; E618-L623 PolarHBondContact O-N 3.31Å; N621-L623 HydrophobicContact CB-CD1 3.75Å; N621-L623 HydrophobicContact CB-CG 4.13Å; N621-L623 PolarHBondContact O-N 3.11Å; N621-L623 VanDerWaalsContact O-N 3.12Å; L623-Y626 PolarHBondContact O-N 3.36Å; L623-L627 WeakPolarHBondContact O-CG 3.4Å; L623-L627 PolarHBondContact O-N 3.11Å; L623-I968 HydrophobicContact CD2-CG2 3.56Å; L623-I968 HydrophobicContact CG-CG2 4.16Å; L623-Y970 HydrophobicContact CB-CE1 4.34Å; L623-Y970 HydrophobicContact CD1-CD1 3.86Å; L623-Y970 HydrophobicContact CD1-CE1 3.7Å; L623-Y970 HydrophobicContact CD2-CD1 4.16Å; L623-Y970 HydrophobicContact CD2-CD2 3.92Å; L623-Y970 HydrophobicContact CD2-CE1 4.01Å; L623-Y970 HydrophobicContact CD2-CE2 3.76Å; L623-Y970 HydrophobicContact CD2-CG 4.11Å; L623-Y970 HydrophobicContact CG-CE1 4.23Å |
| 624 | I | 81.2 | Confident | 78.9 | Confident | 22 Ų | 22 | 40 Ų | 40 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.7 | -57 | 179.4 | 0 | 0 | 0 | 111.7 | E618 K619 R622 Y626 L627 S628 L634 | E618-I624 HydrophobicContact CB-CD1 4.2Å; E618-I624 HydrophobicContact CB-CG1 3.97Å; K619-I624 HydrophobicContact CB-CD1 3.94Å; R622-I624 VanDerWaalsContact C-N 3.26Å; R622-I624 PolarHBondContact O-N 3.42Å; I624-Y626 PolarHBondContact O-N 3.02Å; I624-L627 PolarHBondContact O-N 2.74Å; I624-S628 PolarHBondContact O-N 3.05Å; I624-L634 HydrophobicContact CD1-CD1 4.47Å; I624-L634 HydrophobicContact CG2-CD1 3.71Å |
| 625 | D | 73.3 | Confident | 78.6 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 50% | 0.497 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 178.4 | -62.2 | -24.9 | 0 | 0 | 0 | 110.5 | R622 S628 | R622-D625 PolarHBondContact O-N 3.15Å; D625-S628 WeakPolarHBondContact O-CB 3.36Å; D625-S628 PolarHBondContact O-N 3.18Å; D625-S628 PolarHBondContact O-OG 3.02Å |
| 626 | Y | 80.9 | Confident | 78.5 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.8 | -38.7 | 176 | -170.8 | -123 | 0 | 0 | 0 | 113.2 | R622 L623 I624 S628 I629 F630 Y962 P964 I968 F982 | R622-Y626 PolarHBondContact O-N 3.45Å; L623-Y626 PolarHBondContact O-N 3.36Å; I624-Y626 PolarHBondContact O-N 3.02Å; Y626-S628 VanDerWaalsContact C-N 3.25Å; Y626-S628 PolarHBondContact O-N 2.92Å; Y626-I629 HydrophobicContact CD2-CD1 4.08Å; Y626-I629 WeakPolarHBondContact O-CB 3.41Å; Y626-I629 PolarHBondContact O-N 3.28Å; Y626-F630 HydrophobicContact CD1-CE2 4.08Å; Y626-F630 HydrophobicContact CD2-CE2 4.33Å; Y626-F630 AromaticContact CE1-CE2 3.78Å; Y626-F630 HydrophobicContact CE1-CE2 3.78Å; Y626-F630 HydrophobicContact CE1-CZ 4.31Å; Y626-F630 HydrophobicContact CE2-CE2 4.01Å; Y626-F630 HydrophobicContact CE2-CZ 4.23Å; Y626-F630 HydrophobicContact CG-CE2 4.34Å; Y626-F630 AromaticContact CZ-CE2 3.72Å; Y626-F630 AromaticContact CZ-CZ 3.88Å; Y626-F630 VanDerWaalsContact O-CD2 3.31Å; Y626-F630 WeakPolarHBondContact O-CD2 3.44Å; Y626-Y962 HydrophobicContact CE2-CD1 4.36Å; Y626-P964 HydrophobicContact CD2-CG 4.47Å; Y626-P964 HydrophobicContact CE2-CG 4.47Å; Y626-I968 HydrophobicContact CD1-CB 4.03Å; Y626-I968 HydrophobicContact CD1-CG2 3.71Å; Y626-I968 HydrophobicContact CD2-CD1 4.06Å; Y626-I968 HydrophobicContact CE1-CB 4.48Å; Y626-I968 HydrophobicContact CG-CB 4.05Å; Y626-I968 HydrophobicContact CG-CD1 4.01Å; Y626-I968 HydrophobicContact CG-CG2 3.81Å; Y626-F982 AromaticContact CD1-CE1 3.9Å; Y626-F982 HydrophobicContact CD1-CE1 3.9Å; Y626-F982 AromaticContact CD1-CZ 3.96Å; Y626-F982 HydrophobicContact CD1-CZ 3.96Å; Y626-F982 HydrophobicContact CE1-CD1 4.32Å; Y626-F982 AromaticContact CE1-CE1 3.51Å; Y626-F982 HydrophobicContact CE1-CE1 3.51Å; Y626-F982 HydrophobicContact CE1-CE2 4.47Å; Y626-F982 AromaticContact CE1-CZ 3.6Å; Y626-F982 HydrophobicContact CE1-CZ 3.6Å |
| 627 | L | 80.9 | Confident | 78.4 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -35.2 | 171.9 | -69.6 | 176.6 | 0 | 0 | 0 | 111.9 | L25 L623 I624 I629 F630 I632 F982 L985 | L25-L627 HydrophobicContact CD2-CD1 4.23Å; L623-L627 WeakPolarHBondContact O-CG 3.4Å; L623-L627 PolarHBondContact O-N 3.11Å; I624-L627 PolarHBondContact O-N 2.74Å; L627-I629 PolarHBondContact O-N 2.96Å; L627-F630 PolarHBondContact O-N 2.89Å; L627-F630 VanDerWaalsContact O-N 3.15Å; L627-I632 HydrophobicContact CB-CB 4.29Å; L627-I632 HydrophobicContact CB-CD1 3.96Å; L627-I632 HydrophobicContact CD2-CD1 3.73Å; L627-I632 HydrophobicContact CG-CD1 4.34Å; L627-I632 WeakPolarHBondContact O-CB 3.46Å; L627-I632 PolarHBondContact O-N 3.06Å; L627-F982 HydrophobicContact CD2-CE1 4.47Å; L627-L985 HydrophobicContact CD2-CD1 4.15Å |
| 628 | S | 76.4 | Confident | 78.5 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -26.7 | 177.5 | 86.5 | 0 | 0 | 0 | 0 | 113.6 | I624 D625 Y626 G631 I632 R957 | I624-S628 PolarHBondContact O-N 3.05Å; D625-S628 WeakPolarHBondContact O-CB 3.36Å; D625-S628 PolarHBondContact O-N 3.18Å; D625-S628 PolarHBondContact O-OG 3.02Å; Y626-S628 VanDerWaalsContact C-N 3.25Å; Y626-S628 PolarHBondContact O-N 2.92Å; S628-G631 PolarHBondContact O-N 3.03Å; S628-I632 WeakPolarHBondContact CA-O 3.5Å; S628-R957 PolarHBondContact O-NH2 3.2Å |
| 629 | I | 73 | Confident | 78.8 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -40.6 | 177.7 | -62.3 | 171 | 0 | 0 | 0 | 110.3 | Y626 L627 G631 V932 I934 R957 Y962 | Y626-I629 HydrophobicContact CD2-CD1 4.08Å; Y626-I629 WeakPolarHBondContact O-CB 3.41Å; Y626-I629 PolarHBondContact O-N 3.28Å; L627-I629 PolarHBondContact O-N 2.96Å; I629-G631 PolarHBondContact O-N 3.37Å; I629-G631 VanDerWaalsContact O-N 3.16Å; I629-V932 HydrophobicContact CB-CG1 4.17Å; I629-V932 HydrophobicContact CD1-CG1 4.01Å; I629-V932 HydrophobicContact CG1-CG1 3.8Å; I629-V932 HydrophobicContact CG2-CG1 3.44Å; I629-V932 VanDerWaalsContact CG2-CG1 3.44Å; I629-I934 HydrophobicContact CD1-CD1 3.8Å; I629-I934 HydrophobicContact CD1-CG1 4.32Å; I629-I934 HydrophobicContact CG1-CD1 4.09Å; I629-I934 HydrophobicContact CG1-CG1 4.04Å; I629-R957 WeakPolarHBondContact O-CD 3.45Å; I629-R957 VanDerWaalsContact O-CG 3.26Å; I629-R957 WeakPolarHBondContact O-CG 3.43Å; I629-R957 PolarHBondContact O-NE 2.72Å; I629-Y962 HydrophobicContact CD1-CD1 3.4Å; I629-Y962 HydrophobicContact CD1-CE1 3.64Å; I629-Y962 HydrophobicContact CD1-CG 4.4Å |
| 630 | F | 73.7 | Confident | 79.1 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 5.7 | 177.4 | -58.9 | -73.4 | 0 | 0 | 0 | 114.4 | Y626 L627 F982 K986 | Y626-F630 HydrophobicContact CD1-CE2 4.08Å; Y626-F630 HydrophobicContact CD2-CE2 4.33Å; Y626-F630 AromaticContact CE1-CE2 3.78Å; Y626-F630 HydrophobicContact CE1-CE2 3.78Å; Y626-F630 HydrophobicContact CE1-CZ 4.31Å; Y626-F630 HydrophobicContact CE2-CE2 4.01Å; Y626-F630 HydrophobicContact CE2-CZ 4.23Å; Y626-F630 HydrophobicContact CG-CE2 4.34Å; Y626-F630 AromaticContact CZ-CE2 3.72Å; Y626-F630 AromaticContact CZ-CZ 3.88Å; Y626-F630 VanDerWaalsContact O-CD2 3.31Å; Y626-F630 WeakPolarHBondContact O-CD2 3.44Å; L627-F630 PolarHBondContact O-N 2.89Å; L627-F630 VanDerWaalsContact O-N 3.15Å; F630-F982 HydrophobicContact CD2-CD1 4.2Å; F630-F982 HydrophobicContact CD2-CE1 4.14Å; F630-F982 AromaticContact CE2-CD1 3.7Å; F630-F982 HydrophobicContact CE2-CD1 3.7Å; F630-F982 AromaticContact CE2-CE1 3.66Å; F630-F982 HydrophobicContact CE2-CE1 3.66Å; F630-F982 AromaticContact CZ-CD1 3.97Å; F630-F982 HydrophobicContact CZ-CD1 3.97Å; F630-F982 HydrophobicContact CZ-CE1 4.33Å; F630-K986 HydrophobicContact CD1-CG 4.32Å; F630-K986 HydrophobicContact CE1-CG 4.37Å |
| 631 | G | 70.1 | Confident | 79.8 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 19% | 0.186 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 40.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S628 I629 | S628-G631 PolarHBondContact O-N 3.03Å; I629-G631 PolarHBondContact O-N 3.37Å; I629-G631 VanDerWaalsContact O-N 3.16Å |
| 632 | I | 77.4 | Confident | 80.6 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | trans | -108.5 | 111.1 | 168.7 | -59 | 162.5 | 0 | 0 | 0 | 107.3 | L25 L627 S628 M636 L985 | L25-I632 HydrophobicContact CD1-CG2 3.74Å; L25-I632 HydrophobicContact CD2-CD1 4.37Å; L627-I632 HydrophobicContact CB-CB 4.29Å; L627-I632 HydrophobicContact CB-CD1 3.96Å; L627-I632 HydrophobicContact CD2-CD1 3.73Å; L627-I632 HydrophobicContact CG-CD1 4.34Å; L627-I632 WeakPolarHBondContact O-CB 3.46Å; L627-I632 PolarHBondContact O-N 3.06Å; S628-I632 WeakPolarHBondContact CA-O 3.5Å; I632-M636 HydrophobicContact CG2-CB 4Å; I632-L985 HydrophobicContact CD1-CD1 3.82Å; I632-L985 HydrophobicContact CD1-CD2 3.72Å; I632-L985 HydrophobicContact CD1-CG 4.39Å; I632-L985 HydrophobicContact CG1-CD2 4.39Å | ||
| 633 | D | 75.1 | Confident | 81.2 | Confident | 94 Ų | 94 | 31.1 Ų | 31.1 | 50% | 0.503 | 17% | 0.174 | S | C | . | . | trans | -68.5 | 149.6 | 175.3 | -63.9 | -37.9 | 0 | 0 | 0 | 110.9 | S635 M636 | D633-S635 PolarHBondContact O-N 3.14Å; D633-S635 VanDerWaalsContact O-N 3.11Å; D633-M636 HydrophobicContact CB-CG 4.47Å; D633-M636 WeakPolarHBondContact O-CB 3.42Å; D633-M636 PolarHBondContact O-N 3.49Å | ||
| 634 | L | 78.5 | Confident | 81.7 | Confident | 79 Ų | 79 | 31.5 Ų | 31.5 | 41% | 0.414 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -50 | -38 | 176.9 | 174.4 | 63.2 | 0 | 0 | 0 | 112.3 | I624 M636 N637 W638 | I624-L634 HydrophobicContact CD1-CD1 4.47Å; I624-L634 HydrophobicContact CG2-CD1 3.71Å; L634-M636 VanDerWaalsContact C-N 3.3Å; L634-M636 PolarHBondContact O-N 3.07Å; L634-N637 PolarHBondContact O-N 2.7Å; L634-W638 HydrophobicContact CD1-CD2 4.38Å; L634-W638 HydrophobicContact CD1-CZ2 4.13Å; L634-W638 HydrophobicContact CD2-CH2 3.62Å; L634-W638 HydrophobicContact CD2-CZ2 3.59Å; L634-W638 HydrophobicContact CD2-CZ3 4.21Å; L634-W638 HydrophobicContact CG-CD2 4.04Å; L634-W638 HydrophobicContact CG-CE3 4.23Å; L634-W638 HydrophobicContact CG-CH2 3.99Å; L634-W638 HydrophobicContact CG-CZ2 3.78Å; L634-W638 HydrophobicContact CG-CZ3 4.21Å; L634-W638 PolarHBondContact O-N 3.12Å |
| 635 | S | 79.5 | Confident | 82.1 | Confident | 54 Ų | 54 | 30.5 Ų | 30.5 | 38% | 0.378 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.3 | -32.9 | 175.4 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | D633 L639 | D633-S635 PolarHBondContact O-N 3.14Å; D633-S635 VanDerWaalsContact O-N 3.11Å; S635-L639 WeakPolarHBondContact O-CB 3.46Å; S635-L639 WeakPolarHBondContact O-CD1 3.2Å; S635-L639 WeakPolarHBondContact O-CG 3.37Å; S635-L639 PolarHBondContact O-N 3.22Å |
| 636 | M | 85.7 | Confident | 83 | Confident | 27 Ų | 27 | 29 Ų | 29 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.1 | -36.3 | 177.3 | -59.5 | -155.7 | 101.5 | 0 | 0 | 112.3 | L18 L25 I632 D633 L634 L639 A640 | L18-M636 HydrophobicContact CB-CE 4.1Å; L18-M636 HydrophobicContact CD2-CE 3.72Å; L18-M636 HydrophobicContact CD2-SD 3.85Å; L25-M636 HydrophobicContact CD1-CB 4.24Å; I632-M636 HydrophobicContact CG2-CB 4Å; D633-M636 HydrophobicContact CB-CG 4.47Å; D633-M636 WeakPolarHBondContact O-CB 3.42Å; D633-M636 PolarHBondContact O-N 3.49Å; L634-M636 VanDerWaalsContact C-N 3.3Å; L634-M636 PolarHBondContact O-N 3.07Å; M636-L639 PolarHBondContact O-N 3.48Å; M636-A640 PolarHBondContact O-N 2.94Å |
| 637 | N | 84.2 | Confident | 83.5 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.1 | -37.7 | 175.2 | -161.8 | 67.6 | 0 | 0 | 0 | 111.2 | K28 E618 L634 A640 W641 | K28-N637 PolarHBondContact NZ-OD1 3.41Å; E618-N637 PolarHBondContact OE2-ND2 2.83Å; L634-N637 PolarHBondContact O-N 2.7Å; N637-A640 PolarHBondContact O-N 3.41Å; N637-W641 PolarHBondContact O-N 2.92Å |
| 638 | W | 86 | Confident | 83.9 | Confident | 30 Ų | 30 | 35.2 Ų | 35.2 | 11% | 0.114 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -50.6 | 167.5 | -72.8 | -26.3 | 0 | 0 | 0 | 111.5 | L634 A640 W641 I642 I690 T693 L694 F796 | L634-W638 HydrophobicContact CD1-CD2 4.38Å; L634-W638 HydrophobicContact CD1-CZ2 4.13Å; L634-W638 HydrophobicContact CD2-CH2 3.62Å; L634-W638 HydrophobicContact CD2-CZ2 3.59Å; L634-W638 HydrophobicContact CD2-CZ3 4.21Å; L634-W638 HydrophobicContact CG-CD2 4.04Å; L634-W638 HydrophobicContact CG-CE3 4.23Å; L634-W638 HydrophobicContact CG-CH2 3.99Å; L634-W638 HydrophobicContact CG-CZ2 3.78Å; L634-W638 HydrophobicContact CG-CZ3 4.21Å; L634-W638 PolarHBondContact O-N 3.12Å; W638-A640 VanDerWaalsContact C-N 3.32Å; W638-A640 PolarHBondContact O-N 3.2Å; W638-W641 PolarHBondContact O-N 3.07Å; W638-I642 HydrophobicContact CB-CD1 4.22Å; W638-I642 VanDerWaalsContact O-CB 3.29Å; W638-I642 WeakPolarHBondContact O-CB 3.49Å; W638-I642 VanDerWaalsContact O-CD1 3.32Å; W638-I642 WeakPolarHBondContact O-CD1 3.3Å; W638-I642 WeakPolarHBondContact O-CG1 3.3Å; W638-I642 PolarHBondContact O-N 3.17Å; W638-I690 HydrophobicContact CD2-CG2 4.15Å; W638-I690 HydrophobicContact CE3-CG2 4.31Å; W638-I690 HydrophobicContact CH2-CG2 4.36Å; W638-I690 HydrophobicContact CZ2-CG2 4.17Å; W638-I690 HydrophobicContact CZ3-CG2 4.42Å; W638-T693 PolarHBondContact NE1-OG1 3.34Å; W638-L694 HydrophobicContact CH2-CD2 4.11Å; W638-L694 HydrophobicContact CZ2-CD2 4.12Å; W638-F796 HydrophobicContact CE3-CE1 4.19Å; W638-F796 HydrophobicContact CZ3-CD1 4.38Å; W638-F796 AromaticContact CZ3-CE1 3.82Å; W638-F796 HydrophobicContact CZ3-CE1 3.82Å |
| 639 | L | 88.3 | Confident | 84.6 | Confident | 88 Ų | 88 | 33.3 Ų | 33.3 | 46% | 0.461 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.7 | -41 | 179.3 | -79.4 | 166.5 | 0 | 0 | 0 | 112.8 | Y22 S635 M636 I642 T643 | Y22-L639 HydrophobicContact CE2-CB 4.32Å; S635-L639 WeakPolarHBondContact O-CB 3.46Å; S635-L639 WeakPolarHBondContact O-CD1 3.2Å; S635-L639 WeakPolarHBondContact O-CG 3.37Å; S635-L639 PolarHBondContact O-N 3.22Å; M636-L639 PolarHBondContact O-N 3.48Å; L639-I642 PolarHBondContact O-N 3.03Å; L639-T643 WeakPolarHBondContact O-CG2 3.4Å; L639-T643 PolarHBondContact O-N 2.95Å; L639-T643 PolarHBondContact O-OG1 2.68Å |
| 640 | A | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y22 L25 D29 M636 N637 W638 I642 T643 I644 | Y22-A640 HydrophobicContact CE2-CB 4.43Å; L25-A640 HydrophobicContact CB-CB 3.73Å; D29-A640 WeakPolarHBondContact OD2-CB 3.46Å; M636-A640 PolarHBondContact O-N 2.94Å; N637-A640 PolarHBondContact O-N 3.41Å; W638-A640 VanDerWaalsContact C-N 3.32Å; W638-A640 PolarHBondContact O-N 3.2Å; A640-I642 PolarHBondContact O-N 3.02Å; A640-T643 PolarHBondContact O-N 3.13Å; A640-T643 PolarHBondContact O-OG1 3.48Å; A640-I644 PolarHBondContact O-N 2.82Å |
| 641 | W | 90.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 173.7 | -82.2 | 113.6 | 0 | 0 | 0 | 113 | D29 L32 Y614 M615 E618 N637 W638 S645 | D29-W641 HydrophobicContact CB-CD2 4.15Å; D29-W641 HydrophobicContact CB-CE3 4.11Å; D29-W641 HydrophobicContact CB-CH2 4.16Å; D29-W641 HydrophobicContact CB-CZ2 4.22Å; D29-W641 HydrophobicContact CB-CZ3 4.11Å; D29-W641 VanDerWaalsContact OD1-CE2 3.27Å; D29-W641 VanDerWaalsContact OD1-CZ2 3.3Å; D29-W641 WeakPolarHBondContact OD1-CZ2 3.37Å; D29-W641 PolarHBondContact OD1-NE1 3.31Å; L32-W641 HydrophobicContact CB-CH2 4.03Å; L32-W641 HydrophobicContact CD1-CH2 4.17Å; L32-W641 HydrophobicContact CD1-CZ2 3.87Å; Y614-W641 AromaticContact CD1-CH2 3.85Å; Y614-W641 HydrophobicContact CD1-CH2 3.85Å; Y614-W641 HydrophobicContact CD1-CZ3 4.32Å; Y614-W641 HydrophobicContact CD2-CZ3 4.21Å; Y614-W641 AromaticContact CG-CH2 3.8Å; Y614-W641 HydrophobicContact CG-CH2 3.8Å; Y614-W641 AromaticContact CG-CZ3 3.85Å; Y614-W641 HydrophobicContact CG-CZ3 3.85Å; M615-W641 HydrophobicContact CE-CB 3.59Å; M615-W641 HydrophobicContact CG-CB 4.01Å; M615-W641 HydrophobicContact CG-CG 4.06Å; E618-W641 PolarHBondContact OE2-NE1 2.92Å; N637-W641 PolarHBondContact O-N 2.92Å; W638-W641 PolarHBondContact O-N 3.07Å; W641-S645 WeakPolarHBondContact O-CB 3.21Å; W641-S645 PolarHBondContact O-N 2.86Å; W641-S645 PolarHBondContact O-OG 3.08Å |
| 642 | I | 89.5 | Confident | 87.2 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 176.8 | -73.2 | 163 | 0 | 0 | 0 | 110.3 | M615 W638 L639 A640 S645 F646 L686 I690 | M615-I642 HydrophobicContact CE-CG1 3.88Å; W638-I642 HydrophobicContact CB-CD1 4.22Å; W638-I642 VanDerWaalsContact O-CB 3.29Å; W638-I642 WeakPolarHBondContact O-CB 3.49Å; W638-I642 VanDerWaalsContact O-CD1 3.32Å; W638-I642 WeakPolarHBondContact O-CD1 3.3Å; W638-I642 WeakPolarHBondContact O-CG1 3.3Å; W638-I642 PolarHBondContact O-N 3.17Å; L639-I642 PolarHBondContact O-N 3.03Å; A640-I642 PolarHBondContact O-N 3.02Å; I642-S645 CarbonylContact O-C 3.59Å; I642-S645 PolarHBondContact O-N 2.81Å; I642-F646 WeakPolarHBondContact O-CB 3.48Å; I642-F646 PolarHBondContact O-N 2.95Å; I642-L686 HydrophobicContact CG2-CB 4.26Å; I642-L686 HydrophobicContact CG2-CD1 4.21Å; I642-I690 HydrophobicContact CD1-CD1 3.61Å; I642-I690 HydrophobicContact CD1-CG1 3.88Å |
| 643 | T | 91.2 | Very high | 87.8 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 20% | 0.202 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.9 | -30.4 | -172.3 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | Y22 L26 L639 A640 S645 F646 I647 | Y22-T643 WeakPolarHBondContact OH-CB 3.38Å; Y22-T643 WeakPolarHBondContact OH-CG2 3.02Å; Y22-T643 PolarHBondContact OH-OG1 3.42Å; L26-T643 WeakPolarHBondContact CD2-OG1 3.13Å; L639-T643 WeakPolarHBondContact O-CG2 3.4Å; L639-T643 PolarHBondContact O-N 2.95Å; L639-T643 PolarHBondContact O-OG1 2.68Å; A640-T643 PolarHBondContact O-N 3.13Å; A640-T643 PolarHBondContact O-OG1 3.48Å; T643-S645 VanDerWaalsContact C-N 3.31Å; T643-F646 PolarHBondContact O-N 3.47Å; T643-I647 WeakPolarHBondContact O-CB 3.5Å; T643-I647 WeakPolarHBondContact O-CD1 3.42Å; T643-I647 WeakPolarHBondContact O-CG1 3.06Å; T643-I647 PolarHBondContact O-N 2.67Å |
| 644 | I | 91.1 | Very high | 88.6 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.097 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 168.2 | -65.4 | -172.4 | 0 | 0 | 0 | 111.2 | L26 D29 A640 I647 L648 | L26-I644 HydrophobicContact CD2-CD1 4.16Å; L26-I644 HydrophobicContact CD2-CG1 3.66Å; L26-I644 VanDerWaalsContact O-CD1 3.29Å; L26-I644 WeakPolarHBondContact O-CD1 3.31Å; D29-I644 HydrophobicContact CB-CD1 3.46Å; D29-I644 VanDerWaalsContact CB-CD1 3.46Å; A640-I644 PolarHBondContact O-N 2.82Å; I644-I647 PolarHBondContact O-N 2.8Å; I644-L648 PolarHBondContact O-N 2.86Å |
| 645 | S | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.9 | -39.7 | 178.1 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | R33 T611 W641 I642 T643 L648 M649 | R33-S645 PolarHBondContact NH1-OG 3.16Å; T611-S645 WeakPolarHBondContact CG2-OG 3.39Å; W641-S645 WeakPolarHBondContact O-CB 3.21Å; W641-S645 PolarHBondContact O-N 2.86Å; W641-S645 PolarHBondContact O-OG 3.08Å; I642-S645 CarbonylContact O-C 3.59Å; I642-S645 PolarHBondContact O-N 2.81Å; T643-S645 VanDerWaalsContact C-N 3.31Å; S645-L648 PolarHBondContact O-N 2.99Å; S645-M649 WeakPolarHBondContact O-CB 3.37Å; S645-M649 WeakPolarHBondContact O-CG 3.43Å; S645-M649 PolarHBondContact O-N 3.23Å |
| 646 | F | 92.6 | Very high | 89.6 | Confident | 63 Ų | 63 | 32.9 Ų | 32.9 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 170.9 | -177.2 | -96.7 | 0 | 0 | 0 | 111.9 | I642 T643 L648 M649 S650 L679 I682 I683 L686 | I642-F646 WeakPolarHBondContact O-CB 3.48Å; I642-F646 PolarHBondContact O-N 2.95Å; T643-F646 PolarHBondContact O-N 3.47Å; F646-L648 PolarHBondContact O-N 2.82Å; F646-M649 PolarHBondContact O-N 2.92Å; F646-S650 WeakPolarHBondContact O-CA 3.03Å; F646-S650 WeakPolarHBondContact O-CB 3.33Å; F646-S650 PolarHBondContact O-N 3.43Å; F646-L679 HydrophobicContact CE2-CD2 4.26Å; F646-L679 HydrophobicContact CZ-CD2 3.98Å; F646-I682 HydrophobicContact CD2-CG2 3.83Å; F646-I682 HydrophobicContact CE2-CG2 4.3Å; F646-I683 HydrophobicContact CD2-CG1 4.42Å; F646-I683 HydrophobicContact CE2-CD1 4.47Å; F646-I683 HydrophobicContact CE2-CG1 3.96Å; F646-L686 HydrophobicContact CB-CD1 3.67Å; F646-L686 HydrophobicContact CD2-CD1 3.94Å; F646-L686 HydrophobicContact CG-CD1 4.32Å |
| 647 | I | 91.5 | Very high | 89.8 | Confident | 96 Ų | 96 | 31.9 Ų | 31.9 | 49% | 0.492 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.4 | -47 | 177.2 | -71.6 | 162.1 | 0 | 0 | 0 | 110.6 | T643 I644 S650 I651 | T643-I647 WeakPolarHBondContact O-CB 3.5Å; T643-I647 WeakPolarHBondContact O-CD1 3.42Å; T643-I647 WeakPolarHBondContact O-CG1 3.06Å; T643-I647 PolarHBondContact O-N 2.67Å; I644-I647 PolarHBondContact O-N 2.8Å; I647-S650 PolarHBondContact O-N 3.2Å; I647-I651 HydrophobicContact CG2-CD1 3.89Å; I647-I651 WeakPolarHBondContact O-CD1 3.46Å; I647-I651 VanDerWaalsContact O-CG1 3.27Å; I647-I651 WeakPolarHBondContact O-CG1 3.5Å; I647-I651 PolarHBondContact O-N 2.87Å |
| 648 | L | 89.4 | Confident | 90.1 | Very high | 40 Ų | 40 | 36.8 Ų | 36.8 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -47.2 | 179.5 | -173.4 | 66.4 | 0 | 0 | 0 | 112.1 | E43 I644 S645 F646 I651 L652 | E43-L648 WeakPolarHBondContact OE2-CD2 3.32Å; I644-L648 PolarHBondContact O-N 2.86Å; S645-L648 PolarHBondContact O-N 2.99Å; F646-L648 PolarHBondContact O-N 2.82Å; L648-I651 PolarHBondContact O-N 2.92Å; L648-L652 HydrophobicContact CG-CD1 4.25Å; L648-L652 WeakPolarHBondContact O-CG 3.39Å; L648-L652 PolarHBondContact O-N 2.83Å |
| 649 | M | 89.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.1 | -35.9 | 178.7 | -66.3 | 171.7 | 80.5 | 0 | 0 | 111.8 | W604 S645 F646 L652 S653 I682 C685 L686 | W604-M649 HydrophobicContact CB-CE 4.49Å; W604-M649 HydrophobicContact CD2-CE 3.91Å; W604-M649 HydrophobicContact CE3-CB 4.4Å; W604-M649 HydrophobicContact CE3-CE 3.46Å; W604-M649 VanDerWaalsContact CE3-CE 3.46Å; W604-M649 HydrophobicContact CE3-CG 4.07Å; W604-M649 HydrophobicContact CG-CE 4.38Å; W604-M649 HydrophobicContact CH2-CB 4.17Å; W604-M649 WeakPolarHBondContact CH2-O 3.44Å; W604-M649 HydrophobicContact CZ3-CB 3.7Å; W604-M649 HydrophobicContact CZ3-CE 4Å; W604-M649 HydrophobicContact CZ3-CG 3.76Å; S645-M649 WeakPolarHBondContact O-CB 3.37Å; S645-M649 WeakPolarHBondContact O-CG 3.43Å; S645-M649 PolarHBondContact O-N 3.23Å; F646-M649 PolarHBondContact O-N 2.92Å; M649-L652 PolarHBondContact O-N 3.34Å; M649-S653 VanDerWaalsContact O-CB 3.29Å; M649-S653 WeakPolarHBondContact O-CB 3.31Å; M649-S653 PolarHBondContact O-N 2.96Å; M649-S653 PolarHBondContact O-OG 2.7Å; M649-I682 HydrophobicContact CB-CD1 4.01Å; M649-I682 HydrophobicContact CB-CG1 4.16Å; M649-I682 HydrophobicContact CB-CG2 3.78Å; M649-I682 HydrophobicContact CE-CG1 4.27Å; M649-I682 HydrophobicContact CE-CG2 4.2Å; M649-I682 HydrophobicContact SD-CG2 4.11Å; M649-C685 HydrophobicContact CE-CB 4.31Å; M649-L686 HydrophobicContact SD-CD2 4.05Å; M649-L686 HydrophobicContact SD-CG 4.39Å |
| 650 | S | 91.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -50 | 173.6 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | F646 I647 L652 S653 L654 Y675 | F646-S650 WeakPolarHBondContact O-CA 3.03Å; F646-S650 WeakPolarHBondContact O-CB 3.33Å; F646-S650 PolarHBondContact O-N 3.43Å; I647-S650 PolarHBondContact O-N 3.2Å; S650-L652 PolarHBondContact O-N 2.65Å; S650-S653 WeakPolarHBondContact CA-OG 3.5Å; S650-S653 PolarHBondContact O-N 2.9Å; S650-S653 PolarHBondContact O-OG 2.79Å; S650-L654 PolarHBondContact O-N 3.39Å; S650-Y675 PolarHBondContact OG-OH 3.27Å |
| 651 | I | 91.3 | Very high | 90.1 | Very high | 94 Ų | 94 | 34.9 Ų | 34.9 | 48% | 0.482 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59 | -45.9 | 177 | -68.4 | 164.4 | 0 | 0 | 0 | 111 | I647 L648 L654 I655 | I647-I651 HydrophobicContact CG2-CD1 3.89Å; I647-I651 WeakPolarHBondContact O-CD1 3.46Å; I647-I651 VanDerWaalsContact O-CG1 3.27Å; I647-I651 WeakPolarHBondContact O-CG1 3.5Å; I647-I651 PolarHBondContact O-N 2.87Å; L648-I651 PolarHBondContact O-N 2.92Å; I651-L654 PolarHBondContact O-N 2.89Å; I651-I655 HydrophobicContact CG2-CD1 4.39Å; I651-I655 WeakPolarHBondContact O-CG1 3.37Å; I651-I655 PolarHBondContact O-N 3.3Å |
| 652 | L | 90 | Very high | 89.9 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 177 | -69.4 | 170.1 | 0 | 0 | 0 | 112.2 | V47 W604 L648 M649 S650 L654 I655 I656 | V47-L652 HydrophobicContact CB-CD1 4.4Å; V47-L652 HydrophobicContact CG1-CB 4.09Å; V47-L652 HydrophobicContact CG1-CD1 4.44Å; V47-L652 HydrophobicContact CG2-CD1 4.25Å; W604-L652 HydrophobicContact CH2-CB 4.31Å; W604-L652 HydrophobicContact CZ3-CB 4.39Å; L648-L652 HydrophobicContact CG-CD1 4.25Å; L648-L652 WeakPolarHBondContact O-CG 3.39Å; L648-L652 PolarHBondContact O-N 2.83Å; M649-L652 PolarHBondContact O-N 3.34Å; S650-L652 PolarHBondContact O-N 2.65Å; L652-L654 VanDerWaalsContact C-N 3.34Å; L652-L654 PolarHBondContact O-N 2.85Å; L652-I655 PolarHBondContact O-N 2.85Å; L652-I656 WeakPolarHBondContact O-CG1 3.32Å; L652-I656 PolarHBondContact O-N 2.96Å |
| 653 | S | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -34.2 | 177.6 | 72.2 | 0 | 0 | 0 | 0 | 113.2 | M649 S650 I656 V657 | M649-S653 VanDerWaalsContact O-CB 3.29Å; M649-S653 WeakPolarHBondContact O-CB 3.31Å; M649-S653 PolarHBondContact O-N 2.96Å; M649-S653 PolarHBondContact O-OG 2.7Å; S650-S653 WeakPolarHBondContact CA-OG 3.5Å; S650-S653 PolarHBondContact O-N 2.9Å; S650-S653 PolarHBondContact O-OG 2.79Å; S653-I656 WeakPolarHBondContact O-CB 3.27Å; S653-I656 PolarHBondContact O-N 3.14Å; S653-V657 WeakPolarHBondContact O-CG2 3.39Å; S653-V657 PolarHBondContact O-N 2.87Å |
| 654 | L | 90.8 | Very high | 89.3 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 172.4 | 179.3 | 147.8 | 0 | 0 | 0 | 110 | S650 I651 L652 I656 V657 F658 Y675 | S650-L654 PolarHBondContact O-N 3.39Å; I651-L654 PolarHBondContact O-N 2.89Å; L652-L654 VanDerWaalsContact C-N 3.34Å; L652-L654 PolarHBondContact O-N 2.85Å; L654-I656 VanDerWaalsContact C-N 3.31Å; L654-I656 PolarHBondContact O-N 3.05Å; L654-V657 PolarHBondContact O-N 3.5Å; L654-V657 VanDerWaalsContact O-N 3.15Å; L654-F658 HydrophobicContact CD2-CD2 3.66Å; L654-F658 HydrophobicContact CD2-CE2 3.68Å; L654-F658 HydrophobicContact CG-CD2 4.04Å; L654-F658 HydrophobicContact CG-CE2 3.97Å; L654-F658 WeakPolarHBondContact O-CD2 3.23Å; L654-F658 PolarHBondContact O-N 3.16Å; L654-Y675 HydrophobicContact CB-CE2 3.97Å |
| 655 | I | 90.6 | Very high | 88.9 | Confident | 64 Ų | 64 | 45.5 Ų | 45.5 | 33% | 0.328 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 175.8 | -62.2 | 165.4 | 0 | 0 | 0 | 111.2 | L48 I651 L652 V657 F658 I659 | L48-I655 HydrophobicContact CD2-CB 4.3Å; L48-I655 HydrophobicContact CD2-CG2 3.61Å; I651-I655 HydrophobicContact CG2-CD1 4.39Å; I651-I655 WeakPolarHBondContact O-CG1 3.37Å; I651-I655 PolarHBondContact O-N 3.3Å; L652-I655 PolarHBondContact O-N 2.85Å; I655-V657 PolarHBondContact O-N 2.79Å; I655-F658 PolarHBondContact O-N 3.17Å; I655-I659 HydrophobicContact CG2-CD1 3.96Å; I655-I659 WeakPolarHBondContact O-CG1 3.48Å; I655-I659 PolarHBondContact O-N 2.7Å |
| 656 | I | 89.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 174.3 | -67.5 | 169.4 | 0 | 0 | 0 | 111.3 | V47 V51 M600 W604 L652 S653 L654 F658 I659 L660 | V47-I656 HydrophobicContact CG1-CD1 3.71Å; V47-I656 HydrophobicContact CG1-CG1 4.48Å; V51-I656 HydrophobicContact CG1-CG2 4.44Å; V51-I656 HydrophobicContact CG2-CG1 4.13Å; V51-I656 HydrophobicContact CG2-CG2 4.25Å; M600-I656 HydrophobicContact SD-CG2 4.31Å; W604-I656 HydrophobicContact CH2-CD1 4.48Å; W604-I656 HydrophobicContact CZ2-CD1 4.18Å; L652-I656 WeakPolarHBondContact O-CG1 3.32Å; L652-I656 PolarHBondContact O-N 2.96Å; S653-I656 WeakPolarHBondContact O-CB 3.27Å; S653-I656 PolarHBondContact O-N 3.14Å; L654-I656 VanDerWaalsContact C-N 3.31Å; L654-I656 PolarHBondContact O-N 3.05Å; I656-F658 VanDerWaalsContact C-N 3.33Å; I656-F658 PolarHBondContact O-N 3.28Å; I656-I659 PolarHBondContact O-N 3Å; I656-L660 HydrophobicContact CG2-CD1 3.75Å; I656-L660 HydrophobicContact CG2-CG 4.21Å; I656-L660 WeakPolarHBondContact O-CG 3.43Å; I656-L660 PolarHBondContact O-N 3.37Å |
| 657 | V | 90.2 | Very high | 88.2 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 179.1 | 175 | 0 | 0 | 0 | 0 | 111.6 | S653 L654 I655 L660 K661 I671 I674 Y675 L678 | S653-V657 WeakPolarHBondContact O-CG2 3.39Å; S653-V657 PolarHBondContact O-N 2.87Å; L654-V657 PolarHBondContact O-N 3.5Å; L654-V657 VanDerWaalsContact O-N 3.15Å; I655-V657 PolarHBondContact O-N 2.79Å; V657-L660 PolarHBondContact O-N 3.44Å; V657-K661 PolarHBondContact O-N 3.45Å; V657-K661 VanDerWaalsContact O-N 3.08Å; V657-I671 HydrophobicContact CG1-CG2 3.65Å; V657-I674 HydrophobicContact CG2-CG2 4.01Å; V657-Y675 HydrophobicContact CG2-CD2 4.38Å; V657-L678 HydrophobicContact CG2-CD1 3.39Å |
| 658 | F | 89.6 | Confident | 87.9 | Confident | 107 Ų | 107 | 44.3 Ų | 44.3 | 47% | 0.469 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 174.2 | -89.4 | -86.5 | 0 | 0 | 0 | 111.6 | L654 I655 I656 K661 Y662 | L654-F658 HydrophobicContact CD2-CD2 3.66Å; L654-F658 HydrophobicContact CD2-CE2 3.68Å; L654-F658 HydrophobicContact CG-CD2 4.04Å; L654-F658 HydrophobicContact CG-CE2 3.97Å; L654-F658 WeakPolarHBondContact O-CD2 3.23Å; L654-F658 PolarHBondContact O-N 3.16Å; I655-F658 PolarHBondContact O-N 3.17Å; I656-F658 VanDerWaalsContact C-N 3.33Å; I656-F658 PolarHBondContact O-N 3.28Å; F658-K661 PolarHBondContact O-N 3.12Å; F658-Y662 AromaticContact CD1-CD2 3.74Å; F658-Y662 HydrophobicContact CD1-CD2 3.74Å; F658-Y662 AromaticContact CD1-CE2 3.45Å; F658-Y662 HydrophobicContact CD1-CE2 3.45Å; F658-Y662 VanDerWaalsContact CD1-CE2 3.45Å; F658-Y662 HydrophobicContact CE1-CD2 4.45Å; F658-Y662 AromaticContact CE1-CE2 3.71Å; F658-Y662 HydrophobicContact CE1-CE2 3.71Å; F658-Y662 WeakPolarHBondContact O-CB 3.42Å; F658-Y662 WeakPolarHBondContact O-CD2 3.46Å; F658-Y662 PolarHBondContact O-N 2.77Å |
| 659 | I | 89.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.159 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.4 | -62.9 | 165 | 0 | 0 | 0 | 111 | L48 V51 V52 A55 I655 I656 K661 C663 | L48-I659 HydrophobicContact CD2-CD1 4.19Å; V51-I659 HydrophobicContact CB-CG2 4.48Å; V51-I659 HydrophobicContact CG1-CB 4.08Å; V51-I659 HydrophobicContact CG1-CG2 3.69Å; V52-I659 HydrophobicContact CG2-CD1 4.33Å; A55-I659 HydrophobicContact CB-CG2 4.08Å; I655-I659 HydrophobicContact CG2-CD1 3.96Å; I655-I659 WeakPolarHBondContact O-CG1 3.48Å; I655-I659 PolarHBondContact O-N 2.7Å; I656-I659 PolarHBondContact O-N 3Å; I659-K661 VanDerWaalsContact C-N 3.31Å; I659-K661 PolarHBondContact O-N 3.41Å; I659-C663 WeakPolarHBondContact O-CB 3.25Å; I659-C663 PolarHBondContact O-N 3.33Å |
| 660 | L | 87.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -38.2 | -178.7 | -72.4 | 172.6 | 0 | 0 | 0 | 113.1 | V51 M600 I656 V657 I665 I666 W747 | V51-L660 HydrophobicContact CG1-CD2 4.09Å; V51-L660 HydrophobicContact CG1-CG 4.22Å; M600-L660 HydrophobicContact CE-CD2 4.45Å; I656-L660 HydrophobicContact CG2-CD1 3.75Å; I656-L660 HydrophobicContact CG2-CG 4.21Å; I656-L660 WeakPolarHBondContact O-CG 3.43Å; I656-L660 PolarHBondContact O-N 3.37Å; V657-L660 PolarHBondContact O-N 3.44Å; L660-I665 HydrophobicContact CD2-CB 4.19Å; L660-I665 HydrophobicContact CD2-CD1 4.06Å; L660-I665 HydrophobicContact CD2-CG2 4.01Å; L660-I665 WeakPolarHBondContact O-CB 3.37Å; L660-I665 PolarHBondContact O-N 3.16Å; L660-I665 VanDerWaalsContact O-N 3.09Å; L660-I666 PolarHBondContact O-N 3.32Å; L660-I666 VanDerWaalsContact O-N 3.15Å; L660-W747 HydrophobicContact CD1-CH2 3.63Å; L660-W747 HydrophobicContact CD1-CZ3 4.15Å |
| 661 | K | 87.6 | Confident | 87.8 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -79 | -54.5 | 178.4 | -167 | 69.5 | 166.9 | -176.1 | 0 | 112.1 | V657 F658 I659 C663 N664 P667 S669 I671 | V657-K661 PolarHBondContact O-N 3.45Å; V657-K661 VanDerWaalsContact O-N 3.08Å; F658-K661 PolarHBondContact O-N 3.12Å; I659-K661 VanDerWaalsContact C-N 3.31Å; I659-K661 PolarHBondContact O-N 3.41Å; K661-C663 VanDerWaalsContact C-N 3.34Å; K661-C663 PolarHBondContact O-N 3.41Å; K661-N664 PolarHBondContact O-N 3.27Å; K661-N664 VanDerWaalsContact O-N 3.1Å; K661-P667 WeakPolarHBondContact CE-O 3.4Å; K661-P667 PolarHBondContact NZ-O 2.89Å; K661-S669 PolarHBondContact NZ-O 2.86Å; K661-I671 HydrophobicContact CD-CD1 4.33Å; K661-I671 HydrophobicContact CD-CG1 3.9Å; K661-I671 HydrophobicContact CG-CD1 3.91Å; K661-I671 HydrophobicContact CG-CG1 3.89Å |
| 662 | Y | 86.4 | Confident | 87.8 | Confident | 169 Ų | 169 | 48.2 Ų | 48.2 | 66% | 0.663 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -77.6 | -14.2 | -172 | -74.7 | -91 | 0 | 0 | 0 | 114.3 | F658 N664 | F658-Y662 AromaticContact CD1-CD2 3.74Å; F658-Y662 HydrophobicContact CD1-CD2 3.74Å; F658-Y662 AromaticContact CD1-CE2 3.45Å; F658-Y662 HydrophobicContact CD1-CE2 3.45Å; F658-Y662 VanDerWaalsContact CD1-CE2 3.45Å; F658-Y662 HydrophobicContact CE1-CD2 4.45Å; F658-Y662 AromaticContact CE1-CE2 3.71Å; F658-Y662 HydrophobicContact CE1-CE2 3.71Å; F658-Y662 WeakPolarHBondContact O-CB 3.42Å; F658-Y662 WeakPolarHBondContact O-CD2 3.46Å; F658-Y662 PolarHBondContact O-N 2.77Å; Y662-N664 VanDerWaalsContact C-N 3.32Å |
| 663 | C | 85 | Confident | 87.8 | Confident | 42 Ų | 42 | 48 Ų | 48 | 28% | 0.284 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 15.9 | 167.2 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | A55 R58 I659 K661 I665 | A55-C663 HydrophobicContact CB-CB 3.85Å; R58-C663 VanDerWaalsContact CG-O 3.22Å; R58-C663 WeakPolarHBondContact CG-O 3.42Å; I659-C663 WeakPolarHBondContact O-CB 3.25Å; I659-C663 PolarHBondContact O-N 3.33Å; K661-C663 VanDerWaalsContact C-N 3.34Å; K661-C663 PolarHBondContact O-N 3.41Å; C663-I665 HydrophobicContact CB-CD1 4.19Å; C663-I665 HydrophobicContact CB-CG1 4.19Å; C663-I665 PolarHBondContact O-N 3.41Å |
| 664 | N | 82.7 | Confident | 87.8 | Confident | 92 Ų | 92 | 48.2 Ų | 48.2 | 49% | 0.492 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.3 | 179.3 | -63.9 | -9.9 | 0 | 0 | 0 | 113.7 | R58 K661 Y662 | R58-N664 VanDerWaalsContact CZ-O 3.3Å; R58-N664 PolarHBondContact NE-O 2.81Å; R58-N664 PolarHBondContact NH2-O 3.43Å; K661-N664 PolarHBondContact O-N 3.27Å; K661-N664 VanDerWaalsContact O-N 3.1Å; Y662-N664 VanDerWaalsContact C-N 3.32Å |
| 665 | I | 83.2 | Confident | 87.9 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -81.4 | -40.5 | 176.8 | -56.7 | 168.7 | 0 | 0 | 0 | 109.4 | I54 A55 R58 L660 C663 | I54-I665 HydrophobicContact CB-CD1 4.34Å; I54-I665 HydrophobicContact CG2-CD1 3.79Å; I54-I665 HydrophobicContact CG2-CG1 4.28Å; I54-I665 HydrophobicContact CG2-CG2 4.13Å; A55-I665 HydrophobicContact CB-CD1 4.29Å; R58-I665 HydrophobicContact CB-CG1 4.47Å; R58-I665 HydrophobicContact CG-CG1 4.36Å; L660-I665 HydrophobicContact CD2-CB 4.19Å; L660-I665 HydrophobicContact CD2-CD1 4.06Å; L660-I665 HydrophobicContact CD2-CG2 4.01Å; L660-I665 WeakPolarHBondContact O-CB 3.37Å; L660-I665 PolarHBondContact O-N 3.16Å; L660-I665 VanDerWaalsContact O-N 3.09Å; C663-I665 HydrophobicContact CB-CD1 4.19Å; C663-I665 HydrophobicContact CB-CG1 4.19Å; C663-I665 PolarHBondContact O-N 3.41Å |
| 666 | I | 84.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -133.9 | 71.8 | 176.1 | -53.2 | 177.9 | 0 | 0 | 0 | 108.5 | L596 L660 I674 W747 I750 E754 | L596-I666 HydrophobicContact CD2-CD1 4.26Å; L660-I666 PolarHBondContact O-N 3.32Å; L660-I666 VanDerWaalsContact O-N 3.15Å; I666-I674 HydrophobicContact CG2-CD1 4.37Å; I666-W747 HydrophobicContact CD1-CE3 4.42Å; I666-W747 HydrophobicContact CD1-CZ3 3.7Å; I666-I750 HydrophobicContact CD1-CG2 3.99Å; I666-I750 HydrophobicContact CG2-CG2 4.08Å; I666-E754 WeakPolarHBondContact CA-OE1 3.45Å; I666-E754 HydrophobicContact CG2-CG 3.95Å; I666-E754 VanDerWaalsContact CG2-OE2 3.24Å; I666-E754 WeakPolarHBondContact CG2-OE2 3.41Å |
| 667 | P | 82.4 | Confident | 88 | Confident | 45 Ų | 45 | 49 Ų | 49 | 29% | 0.292 | 24% | 0.237 | S | C | . | . | trans | -70.3 | -26.2 | -170.9 | 27.7 | -36.1 | 0 | 0 | 0 | 115.9 | K661 E754 | K661-P667 WeakPolarHBondContact CE-O 3.4Å; K661-P667 PolarHBondContact NZ-O 2.89Å; P667-E754 WeakPolarHBondContact CD-OE1 3.38Å | ||
| 668 | L | 84.8 | Confident | 88 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -90.2 | -44.4 | -174.4 | -55.5 | 174.8 | 0 | 0 | 0 | 112.6 | E754 | L668-E754 WeakPolarHBondContact CA-OE1 3.46Å; L668-E754 WeakPolarHBondContact CB-OE1 3.2Å; L668-E754 PolarHBondContact N-OE1 3.19Å |
| 669 | S | 89.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -58.7 | 150.1 | -175.2 | -65.3 | 0 | 0 | 0 | 0 | 115.1 | K661 I671 E754 V760 | K661-S669 PolarHBondContact NZ-O 2.86Å; S669-I671 PolarHBondContact O-N 2.93Å; S669-E754 WeakPolarHBondContact CB-OE2 3.4Å; S669-E754 PolarHBondContact N-OE2 2.87Å; S669-E754 VanDerWaalsContact N-OE2 3.08Å; S669-E754 PolarHBondContact OG-OE2 3.2Å; S669-V760 PolarHBondContact OG-N 3.08Å |
| 670 | N | 90.2 | Very high | 88.3 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | trans | -74.3 | 122.2 | -175.9 | -173.1 | -39.7 | 0 | 0 | 0 | 112.9 | I672 L673 I674 V760 | N670-I672 VanDerWaalsContact C-N 3.33Å; N670-I672 PolarHBondContact O-N 3.37Å; N670-I672 WeakPolarHBondContact OD1-CB 3.43Å; N670-I672 PolarHBondContact OD1-N 2.85Å; N670-L673 HydrophobicContact CB-CB 4.14Å; N670-L673 PolarHBondContact O-N 3.15Å; N670-L673 VanDerWaalsContact O-N 3.14Å; N670-I674 WeakPolarHBondContact O-CG1 3.27Å; N670-I674 PolarHBondContact O-N 3.19Å; N670-I674 VanDerWaalsContact O-N 3.11Å; N670-V760 PolarHBondContact N-O 3.29Å | ||
| 671 | I | 89.8 | Confident | 88.6 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 36% | 0.359 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -52.1 | -46.5 | -179.1 | -56.5 | 175.2 | 0 | 0 | 0 | 112.3 | V657 K661 S669 L673 I674 Y675 | V657-I671 HydrophobicContact CG1-CG2 3.65Å; K661-I671 HydrophobicContact CD-CD1 4.33Å; K661-I671 HydrophobicContact CD-CG1 3.9Å; K661-I671 HydrophobicContact CG-CD1 3.91Å; K661-I671 HydrophobicContact CG-CG1 3.89Å; S669-I671 PolarHBondContact O-N 2.93Å; I671-L673 VanDerWaalsContact C-N 3.31Å; I671-L673 PolarHBondContact O-N 3.33Å; I671-I674 PolarHBondContact O-N 3Å; I671-Y675 PolarHBondContact O-N 3.01Å |
| 672 | I | 90.8 | Very high | 88.8 | Confident | 115 Ų | 115 | 42 Ų | 42 | 59% | 0.59 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -66.9 | -37.3 | -175.7 | -58.3 | 174.6 | 0 | 0 | 0 | 110.2 | N670 F676 W762 | N670-I672 VanDerWaalsContact C-N 3.33Å; N670-I672 PolarHBondContact O-N 3.37Å; N670-I672 WeakPolarHBondContact OD1-CB 3.43Å; N670-I672 PolarHBondContact OD1-N 2.85Å; I672-F676 WeakPolarHBondContact O-CB 3.49Å; I672-F676 PolarHBondContact O-N 3.03Å; I672-W762 HydrophobicContact CG2-CZ2 4.49Å |
| 673 | L | 90 | Very high | 89 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.6 | -41.6 | 179.4 | -177.3 | 57 | 0 | 0 | 0 | 111.8 | N670 I671 F676 I677 V760 W762 I765 | N670-L673 HydrophobicContact CB-CB 4.14Å; N670-L673 PolarHBondContact O-N 3.15Å; N670-L673 VanDerWaalsContact O-N 3.14Å; I671-L673 VanDerWaalsContact C-N 3.31Å; I671-L673 PolarHBondContact O-N 3.33Å; L673-F676 HydrophobicContact CD1-CD1 4.5Å; L673-F676 PolarHBondContact O-N 3.19Å; L673-I677 HydrophobicContact CD1-CD1 4.34Å; L673-I677 HydrophobicContact CG-CD1 4.15Å; L673-I677 WeakPolarHBondContact O-CD1 3.4Å; L673-I677 VanDerWaalsContact O-CG1 3.27Å; L673-I677 WeakPolarHBondContact O-CG1 3.42Å; L673-I677 PolarHBondContact O-N 2.88Å; L673-V760 HydrophobicContact CD2-CB 4.22Å; L673-V760 HydrophobicContact CD2-CG1 3.51Å; L673-W762 HydrophobicContact CB-CZ2 4.13Å; L673-W762 HydrophobicContact CD1-CD2 4.25Å; L673-W762 HydrophobicContact CD1-CE3 4.12Å; L673-W762 HydrophobicContact CD1-CH2 3.73Å; L673-W762 HydrophobicContact CD1-CZ2 3.87Å; L673-W762 HydrophobicContact CD1-CZ3 3.86Å; L673-I765 HydrophobicContact CD1-CD1 3.87Å; L673-I765 HydrophobicContact CD2-CD1 4.03Å; L673-I765 HydrophobicContact CD2-CG1 4.06Å |
| 674 | I | 89.5 | Confident | 89.3 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 174.7 | -57.8 | 167.7 | 0 | 0 | 0 | 110.4 | V657 I666 N670 I671 I677 L678 W747 | V657-I674 HydrophobicContact CG2-CG2 4.01Å; I666-I674 HydrophobicContact CG2-CD1 4.37Å; N670-I674 WeakPolarHBondContact O-CG1 3.27Å; N670-I674 PolarHBondContact O-N 3.19Å; N670-I674 VanDerWaalsContact O-N 3.11Å; I671-I674 PolarHBondContact O-N 3Å; I674-I677 PolarHBondContact O-N 2.88Å; I674-L678 HydrophobicContact CG2-CD1 4.21Å; I674-L678 PolarHBondContact O-N 2.99Å; I674-W747 HydrophobicContact CG2-CH2 4.01Å |
| 675 | Y | 93.1 | Very high | 89.7 | Confident | 64 Ų | 64 | 30.8 Ų | 30.8 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.4 | -42 | 176.5 | -177.1 | -120.3 | 0 | 0 | 0 | 112.2 | S650 L654 V657 I671 I677 L678 L679 | S650-Y675 PolarHBondContact OG-OH 3.27Å; L654-Y675 HydrophobicContact CB-CE2 3.97Å; V657-Y675 HydrophobicContact CG2-CD2 4.38Å; I671-Y675 PolarHBondContact O-N 3.01Å; Y675-I677 PolarHBondContact O-N 3.06Å; Y675-L678 PolarHBondContact O-N 3.43Å; Y675-L679 HydrophobicContact CD1-CD1 4.11Å; Y675-L679 HydrophobicContact CE1-CD1 3.61Å; Y675-L679 HydrophobicContact CE1-CG 4.24Å; Y675-L679 HydrophobicContact CE2-CD1 4.41Å; Y675-L679 HydrophobicContact CE2-CD2 4.18Å; Y675-L679 HydrophobicContact CE2-CG 4.15Å; Y675-L679 WeakPolarHBondContact O-CG 3.48Å; Y675-L679 PolarHBondContact O-N 3.45Å |
| 676 | F | 92.1 | Very high | 90.1 | Very high | 89 Ų | 89 | 30.9 Ų | 30.9 | 39% | 0.39 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.4 | 178.2 | -107.7 | 0 | 0 | 0 | 111.9 | I672 L673 L678 L679 N680 W762 | I672-F676 WeakPolarHBondContact O-CB 3.49Å; I672-F676 PolarHBondContact O-N 3.03Å; L673-F676 HydrophobicContact CD1-CD1 4.5Å; L673-F676 PolarHBondContact O-N 3.19Å; F676-L678 VanDerWaalsContact C-N 3.33Å; F676-L678 PolarHBondContact O-N 2.84Å; F676-L679 PolarHBondContact O-N 3.23Å; F676-N680 WeakPolarHBondContact CD1-ND2 3.33Å; F676-N680 VanDerWaalsContact CE1-ND2 3.3Å; F676-N680 WeakPolarHBondContact CE1-ND2 3.49Å; F676-N680 WeakPolarHBondContact CE2-ND2 3.49Å; F676-N680 VanDerWaalsContact CZ-ND2 3.28Å; F676-N680 WeakPolarHBondContact CZ-ND2 3.24Å; F676-N680 PolarHBondContact O-N 3.1Å; F676-N680 VanDerWaalsContact O-N 3.11Å; F676-N680 PolarHBondContact O-ND2 2.83Å; F676-W762 HydrophobicContact CD1-CH2 4.26Å |
| 677 | I | 90.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.5 | -46 | 176.4 | -73.6 | 162.9 | 0 | 0 | 0 | 111.3 | L673 I674 Y675 N680 Y681 Y743 I746 I750 L781 | L673-I677 HydrophobicContact CD1-CD1 4.34Å; L673-I677 HydrophobicContact CG-CD1 4.15Å; L673-I677 WeakPolarHBondContact O-CD1 3.4Å; L673-I677 VanDerWaalsContact O-CG1 3.27Å; L673-I677 WeakPolarHBondContact O-CG1 3.42Å; L673-I677 PolarHBondContact O-N 2.88Å; I674-I677 PolarHBondContact O-N 2.88Å; Y675-I677 PolarHBondContact O-N 3.06Å; I677-N680 PolarHBondContact O-N 3.35Å; I677-Y681 PolarHBondContact O-N 3.01Å; I677-Y743 HydrophobicContact CG2-CE2 4.47Å; I677-I746 HydrophobicContact CD1-CG2 3.84Å; I677-I746 HydrophobicContact CG1-CG2 4.21Å; I677-I746 HydrophobicContact CG2-CG2 3.61Å; I677-I750 HydrophobicContact CD1-CD1 4.13Å; I677-L781 HydrophobicContact CG1-CD1 4.45Å; I677-L781 HydrophobicContact CG1-CD2 4.28Å |
| 678 | L | 91 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.3 | -80.8 | 159 | 0 | 0 | 0 | 112.8 | V657 I674 Y675 F676 N680 Y681 I682 Y743 W747 | V657-L678 HydrophobicContact CG2-CD1 3.39Å; I674-L678 HydrophobicContact CG2-CD1 4.21Å; I674-L678 PolarHBondContact O-N 2.99Å; Y675-L678 PolarHBondContact O-N 3.43Å; F676-L678 VanDerWaalsContact C-N 3.33Å; F676-L678 PolarHBondContact O-N 2.84Å; L678-N680 VanDerWaalsContact C-N 3.34Å; L678-N680 PolarHBondContact O-N 3.22Å; L678-Y681 PolarHBondContact O-N 3.27Å; L678-I682 WeakPolarHBondContact O-CG1 3.23Å; L678-I682 PolarHBondContact O-N 3.04Å; L678-Y743 VanDerWaalsContact CD2-OH 3.28Å; L678-Y743 WeakPolarHBondContact CD2-OH 3.36Å; L678-W747 HydrophobicContact CD2-CZ2 4.37Å; L678-W747 HydrophobicContact CG-CZ2 4.48Å |
| 679 | L | 92.2 | Very high | 91 | Very high | 34 Ų | 34 | 26.4 Ų | 26.4 | 18% | 0.178 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 177.7 | -72.2 | 180 | 0 | 0 | 0 | 112.7 | F646 Y675 F676 Y681 I682 I683 | F646-L679 HydrophobicContact CE2-CD2 4.26Å; F646-L679 HydrophobicContact CZ-CD2 3.98Å; Y675-L679 HydrophobicContact CD1-CD1 4.11Å; Y675-L679 HydrophobicContact CE1-CD1 3.61Å; Y675-L679 HydrophobicContact CE1-CG 4.24Å; Y675-L679 HydrophobicContact CE2-CD1 4.41Å; Y675-L679 HydrophobicContact CE2-CD2 4.18Å; Y675-L679 HydrophobicContact CE2-CG 4.15Å; Y675-L679 WeakPolarHBondContact O-CG 3.48Å; Y675-L679 PolarHBondContact O-N 3.45Å; F676-L679 PolarHBondContact O-N 3.23Å; L679-Y681 VanDerWaalsContact C-N 3.33Å; L679-Y681 PolarHBondContact O-N 3.38Å; L679-I682 HydrophobicContact CD2-CD1 4.41Å; L679-I682 PolarHBondContact O-N 3Å; L679-I683 WeakPolarHBondContact O-CG1 3.46Å; L679-I683 PolarHBondContact O-N 3.01Å; L679-I683 VanDerWaalsContact O-N 3.14Å |
| 680 | N | 91.7 | Very high | 90.9 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 176.1 | -74.7 | -78 | 0 | 0 | 0 | 111.6 | F676 I677 L678 I683 S684 L784 W785 | F676-N680 WeakPolarHBondContact CD1-ND2 3.33Å; F676-N680 VanDerWaalsContact CE1-ND2 3.3Å; F676-N680 WeakPolarHBondContact CE1-ND2 3.49Å; F676-N680 WeakPolarHBondContact CE2-ND2 3.49Å; F676-N680 VanDerWaalsContact CZ-ND2 3.28Å; F676-N680 WeakPolarHBondContact CZ-ND2 3.24Å; F676-N680 PolarHBondContact O-N 3.1Å; F676-N680 VanDerWaalsContact O-N 3.11Å; F676-N680 PolarHBondContact O-ND2 2.83Å; I677-N680 PolarHBondContact O-N 3.35Å; L678-N680 VanDerWaalsContact C-N 3.34Å; L678-N680 PolarHBondContact O-N 3.22Å; N680-I683 PolarHBondContact O-N 3.39Å; N680-S684 PolarHBondContact O-N 2.89Å; N680-L784 HydrophobicContact CB-CD2 4.03Å; N680-W785 WeakPolarHBondContact OD1-CZ2 3.22Å; N680-W785 PolarHBondContact OD1-NE1 3.02Å |
| 681 | Y | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.3 | -39.8 | 176.1 | -172.6 | -112.9 | 0 | 0 | 0 | 112.9 | W604 I677 L678 L679 I683 S684 C685 Y710 Y743 L784 | W604-Y681 AromaticContact CD1-CE1 3.82Å; I677-Y681 PolarHBondContact O-N 3.01Å; L678-Y681 PolarHBondContact O-N 3.27Å; L679-Y681 VanDerWaalsContact C-N 3.33Å; L679-Y681 PolarHBondContact O-N 3.38Å; Y681-I683 VanDerWaalsContact C-N 3.29Å; Y681-I683 PolarHBondContact O-N 2.91Å; Y681-S684 VanDerWaalsContact O-CB 3.31Å; Y681-S684 WeakPolarHBondContact O-CB 3.44Å; Y681-S684 PolarHBondContact O-N 3Å; Y681-S684 VanDerWaalsContact O-N 3.08Å; Y681-C685 WeakPolarHBondContact CE1-SG 3.44Å; Y681-C685 PolarHBondContact O-N 3.4Å; Y681-Y710 PolarHBondContact OH-OH 2.78Å; Y681-Y743 AromaticContact CD1-CD1 3.97Å; Y681-Y743 HydrophobicContact CD1-CD1 3.97Å; Y681-Y743 HydrophobicContact CD1-CD2 4.08Å; Y681-Y743 AromaticContact CD1-CE1 3.72Å; Y681-Y743 HydrophobicContact CD1-CE1 3.72Å; Y681-Y743 AromaticContact CD1-CE2 3.84Å; Y681-Y743 HydrophobicContact CD1-CE2 3.84Å; Y681-Y743 HydrophobicContact CD1-CG 4.13Å; Y681-Y743 AromaticContact CD1-CZ 3.62Å; Y681-Y743 VanDerWaalsContact CD2-CB 3.46Å; Y681-Y743 AromaticContact CD2-CD1 3.83Å; Y681-Y743 HydrophobicContact CD2-CD1 3.83Å; Y681-Y743 AromaticContact CD2-CD2 3.61Å; Y681-Y743 HydrophobicContact CD2-CD2 3.61Å; Y681-Y743 HydrophobicContact CD2-CE1 4.41Å; Y681-Y743 HydrophobicContact CD2-CE2 4.22Å; Y681-Y743 AromaticContact CD2-CG 3.37Å; Y681-Y743 HydrophobicContact CD2-CG 3.37Å; Y681-Y743 AromaticContact CE1-CD1 3.85Å; Y681-Y743 HydrophobicContact CE1-CD1 3.85Å; Y681-Y743 AromaticContact CE1-CE1 3.71Å; Y681-Y743 HydrophobicContact CE1-CE1 3.71Å; Y681-Y743 HydrophobicContact CE1-CG 4.35Å; Y681-Y743 AromaticContact CE2-CD1 3.69Å; Y681-Y743 HydrophobicContact CE2-CD1 3.69Å; Y681-Y743 HydrophobicContact CE2-CD2 4.32Å; Y681-Y743 HydrophobicContact CE2-CE1 4.39Å; Y681-Y743 AromaticContact CE2-CG 3.63Å; Y681-Y743 HydrophobicContact CE2-CG 3.63Å; Y681-Y743 AromaticContact CG-CD1 3.96Å; Y681-Y743 HydrophobicContact CG-CD1 3.96Å; Y681-Y743 AromaticContact CG-CD2 3.46Å; Y681-Y743 HydrophobicContact CG-CD2 3.46Å; Y681-Y743 VanDerWaalsContact CG-CD2 3.46Å; Y681-Y743 HydrophobicContact CG-CE1 4.08Å; Y681-Y743 AromaticContact CG-CE2 3.6Å; Y681-Y743 HydrophobicContact CG-CE2 3.6Å; Y681-Y743 AromaticContact CG-CG 3.63Å; Y681-Y743 HydrophobicContact CG-CG 3.63Å; Y681-Y743 AromaticContact CG-CZ 3.89Å; Y681-Y743 AromaticContact CZ-CD1 3.7Å; Y681-L784 HydrophobicContact CD2-CD1 4.28Å |
| 682 | I | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 175.6 | -69.4 | 163.9 | 0 | 0 | 0 | 111 | W604 F646 M649 L678 L679 S684 C685 L686 | W604-I682 HydrophobicContact CH2-CD1 4.18Å; W604-I682 HydrophobicContact CH2-CG1 4.47Å; W604-I682 HydrophobicContact CZ2-CD1 4.24Å; W604-I682 HydrophobicContact CZ2-CG1 4.32Å; F646-I682 HydrophobicContact CD2-CG2 3.83Å; F646-I682 HydrophobicContact CE2-CG2 4.3Å; M649-I682 HydrophobicContact CB-CD1 4.01Å; M649-I682 HydrophobicContact CB-CG1 4.16Å; M649-I682 HydrophobicContact CB-CG2 3.78Å; M649-I682 HydrophobicContact CE-CG1 4.27Å; M649-I682 HydrophobicContact CE-CG2 4.2Å; M649-I682 HydrophobicContact SD-CG2 4.11Å; L678-I682 WeakPolarHBondContact O-CG1 3.23Å; L678-I682 PolarHBondContact O-N 3.04Å; L679-I682 HydrophobicContact CD2-CD1 4.41Å; L679-I682 PolarHBondContact O-N 3Å; I682-S684 VanDerWaalsContact C-N 3.33Å; I682-S684 PolarHBondContact O-N 3.24Å; I682-C685 PolarHBondContact O-N 3.4Å; I682-L686 HydrophobicContact CG2-CD1 3.84Å; I682-L686 HydrophobicContact CG2-CG 4.42Å; I682-L686 VanDerWaalsContact O-CG 3.3Å; I682-L686 WeakPolarHBondContact O-CG 3.46Å; I682-L686 PolarHBondContact O-N 3.32Å |
| 683 | I | 91.4 | Very high | 89.9 | Confident | 61 Ų | 61 | 17.3 Ų | 17.3 | 31% | 0.313 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 175.2 | -66.6 | 165.5 | 0 | 0 | 0 | 110.8 | F646 L679 N680 Y681 C685 L686 I687 | F646-I683 HydrophobicContact CD2-CG1 4.42Å; F646-I683 HydrophobicContact CE2-CD1 4.47Å; F646-I683 HydrophobicContact CE2-CG1 3.96Å; L679-I683 WeakPolarHBondContact O-CG1 3.46Å; L679-I683 PolarHBondContact O-N 3.01Å; L679-I683 VanDerWaalsContact O-N 3.14Å; N680-I683 PolarHBondContact O-N 3.39Å; Y681-I683 VanDerWaalsContact C-N 3.29Å; Y681-I683 PolarHBondContact O-N 2.91Å; I683-C685 PolarHBondContact O-N 3.43Å; I683-L686 PolarHBondContact O-N 3.36Å; I683-I687 HydrophobicContact CG2-CD1 4.07Å; I683-I687 WeakPolarHBondContact O-CG1 3.46Å; I683-I687 PolarHBondContact O-N 2.96Å; I683-I687 VanDerWaalsContact O-N 3.11Å |
| 684 | S | 91.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.028 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 175.1 | -168.6 | 0 | 0 | 0 | 0 | 112.7 | N680 Y681 I682 L686 I687 Y688 P739 T788 | N680-S684 PolarHBondContact O-N 2.89Å; Y681-S684 VanDerWaalsContact O-CB 3.31Å; Y681-S684 WeakPolarHBondContact O-CB 3.44Å; Y681-S684 PolarHBondContact O-N 3Å; Y681-S684 VanDerWaalsContact O-N 3.08Å; I682-S684 VanDerWaalsContact C-N 3.33Å; I682-S684 PolarHBondContact O-N 3.24Å; S684-L686 VanDerWaalsContact C-N 3.29Å; S684-L686 PolarHBondContact O-N 3.41Å; S684-I687 PolarHBondContact O-N 3.02Å; S684-Y688 PolarHBondContact O-N 3.43Å; S684-P739 WeakPolarHBondContact OG-CB 3.37Å; S684-P739 VanDerWaalsContact OG-CG 3.31Å; S684-P739 WeakPolarHBondContact OG-CG 3.37Å; S684-T788 VanDerWaalsContact CB-CG2 3.47Å |
| 685 | C | 90.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.02 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.6 | -34 | 179.7 | -71 | 0 | 0 | 0 | 0 | 112.6 | I608 M649 Y681 I682 I683 Y688 C689 | I608-C685 HydrophobicContact CD1-CB 4.12Å; I608-C685 HydrophobicContact CG1-CB 4.49Å; M649-C685 HydrophobicContact CE-CB 4.31Å; Y681-C685 WeakPolarHBondContact CE1-SG 3.44Å; Y681-C685 PolarHBondContact O-N 3.4Å; I682-C685 PolarHBondContact O-N 3.4Å; I683-C685 PolarHBondContact O-N 3.43Å; C685-Y688 WeakPolarHBondContact O-CB 3.24Å; C685-Y688 PolarHBondContact O-N 3.35Å; C685-C689 PolarHBondContact O-N 2.95Å; C685-C689 VanDerWaalsContact O-N 3.12Å; C685-C689 PolarHBondContact O-SG 3.15Å |
| 686 | L | 90.7 | Very high | 87.2 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -72.5 | -37.5 | 176.8 | -67.9 | 167.5 | 0 | 0 | 0 | 112.1 | I642 F646 M649 I682 I683 S684 Y688 C689 I690 | I642-L686 HydrophobicContact CG2-CB 4.26Å; I642-L686 HydrophobicContact CG2-CD1 4.21Å; F646-L686 HydrophobicContact CB-CD1 3.67Å; F646-L686 HydrophobicContact CD2-CD1 3.94Å; F646-L686 HydrophobicContact CG-CD1 4.32Å; M649-L686 HydrophobicContact SD-CD2 4.05Å; M649-L686 HydrophobicContact SD-CG 4.39Å; I682-L686 HydrophobicContact CG2-CD1 3.84Å; I682-L686 HydrophobicContact CG2-CG 4.42Å; I682-L686 VanDerWaalsContact O-CG 3.3Å; I682-L686 WeakPolarHBondContact O-CG 3.46Å; I682-L686 PolarHBondContact O-N 3.32Å; I683-L686 PolarHBondContact O-N 3.36Å; S684-L686 VanDerWaalsContact C-N 3.29Å; S684-L686 PolarHBondContact O-N 3.41Å; L686-Y688 VanDerWaalsContact C-N 3.32Å; L686-C689 WeakPolarHBondContact O-CB 3.46Å; L686-C689 PolarHBondContact O-N 3.38Å; L686-I690 PolarHBondContact O-N 3.13Å |
| 687 | I | 89.8 | Confident | 86.1 | Confident | 27 Ų | 27 | 23.5 Ų | 23.5 | 14% | 0.138 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 172 | -61.5 | 165.9 | 0 | 0 | 0 | 110.5 | I683 S684 C689 I690 L791 C792 | I683-I687 HydrophobicContact CG2-CD1 4.07Å; I683-I687 WeakPolarHBondContact O-CG1 3.46Å; I683-I687 PolarHBondContact O-N 2.96Å; I683-I687 VanDerWaalsContact O-N 3.11Å; S684-I687 PolarHBondContact O-N 3.02Å; I687-C689 VanDerWaalsContact C-N 3.29Å; I687-C689 PolarHBondContact O-N 3.3Å; I687-I690 WeakPolarHBondContact O-CB 3.36Å; I687-I690 PolarHBondContact O-N 3.04Å; I687-L791 HydrophobicContact CB-CD2 4.16Å; I687-L791 HydrophobicContact CG2-CB 4.27Å; I687-L791 HydrophobicContact CG2-CD2 3.92Å; I687-L791 HydrophobicContact CG2-CG 3.91Å; I687-C792 HydrophobicContact CG2-CB 4.36Å |
| 688 | Y | 91 | Very high | 85.1 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -36.8 | 172.4 | 175.1 | -97.1 | 0 | 0 | 0 | 112.5 | I608 S684 C685 L686 I690 L691 F692 S706 I709 Y710 L713 | I608-Y688 HydrophobicContact CG2-CD1 3.93Å; I608-Y688 HydrophobicContact CG2-CE1 3.72Å; S684-Y688 PolarHBondContact O-N 3.43Å; C685-Y688 WeakPolarHBondContact O-CB 3.24Å; C685-Y688 PolarHBondContact O-N 3.35Å; L686-Y688 VanDerWaalsContact C-N 3.32Å; Y688-I690 PolarHBondContact O-N 2.78Å; Y688-L691 WeakPolarHBondContact O-CB 3.5Å; Y688-L691 PolarHBondContact O-N 3.02Å; Y688-F692 HydrophobicContact CD1-CE2 4.4Å; Y688-F692 HydrophobicContact CD2-CE2 4.39Å; Y688-F692 HydrophobicContact CE1-CD2 4.4Å; Y688-F692 AromaticContact CE1-CE2 3.77Å; Y688-F692 HydrophobicContact CE1-CE2 3.77Å; Y688-F692 AromaticContact CE2-CE2 3.76Å; Y688-F692 HydrophobicContact CE2-CE2 3.76Å; Y688-F692 HydrophobicContact CE2-CZ 4.4Å; Y688-F692 AromaticContact CZ-CE2 3.41Å; Y688-F692 VanDerWaalsContact CZ-CE2 3.41Å; Y688-F692 AromaticContact CZ-CZ 3.95Å; Y688-F692 WeakPolarHBondContact OH-CE2 3.34Å; Y688-S706 PolarHBondContact OH-O 2.92Å; Y688-I709 HydrophobicContact CE2-CG2 4.46Å; Y688-I709 WeakPolarHBondContact OH-CB 3.2Å; Y688-I709 WeakPolarHBondContact OH-CG2 3.36Å; Y688-Y710 HydrophobicContact CE1-CD2 4.25Å; Y688-Y710 PolarHBondContact OH-N 2.8Å; Y688-L713 HydrophobicContact CD2-CD1 4.46Å; Y688-L713 HydrophobicContact CE2-CD1 3.72Å |
| 689 | C | 89.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66 | -35.6 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | T611 V612 C685 L686 I687 L691 F692 | T611-C689 PolarHBondContact OG1-SG 3.27Å; V612-C689 HydrophobicContact CG2-CB 3.88Å; C685-C689 PolarHBondContact O-N 2.95Å; C685-C689 VanDerWaalsContact O-N 3.12Å; C685-C689 PolarHBondContact O-SG 3.15Å; L686-C689 WeakPolarHBondContact O-CB 3.46Å; L686-C689 PolarHBondContact O-N 3.38Å; I687-C689 VanDerWaalsContact C-N 3.29Å; I687-C689 PolarHBondContact O-N 3.3Å; C689-L691 PolarHBondContact O-N 2.84Å; C689-F692 PolarHBondContact O-N 3.28Å |
| 690 | I | 87 | Confident | 83.3 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.036 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.2 | -38.2 | 176.4 | -53.3 | 171 | 0 | 0 | 0 | 110.8 | W638 I642 L686 I687 Y688 F692 T693 | W638-I690 HydrophobicContact CD2-CG2 4.15Å; W638-I690 HydrophobicContact CE3-CG2 4.31Å; W638-I690 HydrophobicContact CH2-CG2 4.36Å; W638-I690 HydrophobicContact CZ2-CG2 4.17Å; W638-I690 HydrophobicContact CZ3-CG2 4.42Å; I642-I690 HydrophobicContact CD1-CD1 3.61Å; I642-I690 HydrophobicContact CD1-CG1 3.88Å; L686-I690 PolarHBondContact O-N 3.13Å; I687-I690 WeakPolarHBondContact O-CB 3.36Å; I687-I690 PolarHBondContact O-N 3.04Å; Y688-I690 PolarHBondContact O-N 2.78Å; I690-F692 VanDerWaalsContact C-N 3.28Å; I690-F692 PolarHBondContact O-N 2.96Å; I690-T693 WeakPolarHBondContact O-CB 3.4Å; I690-T693 PolarHBondContact O-N 3.42Å; I690-T693 PolarHBondContact O-OG1 3.23Å |
| 691 | L | 86.1 | Confident | 82.3 | Confident | 28 Ų | 28 | 32.8 Ų | 32.8 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52.4 | -44.5 | -177.9 | -168.2 | 151.6 | 0 | 0 | 0 | 112.5 | Y688 C689 T693 L694 L791 L794 T795 I799 | Y688-L691 WeakPolarHBondContact O-CB 3.5Å; Y688-L691 PolarHBondContact O-N 3.02Å; C689-L691 PolarHBondContact O-N 2.84Å; L691-T693 VanDerWaalsContact C-N 3.3Å; L691-T693 PolarHBondContact O-N 3.31Å; L691-L694 WeakPolarHBondContact O-CB 3.32Å; L691-L694 PolarHBondContact O-N 3.46Å; L691-L791 HydrophobicContact CD1-CD1 3.76Å; L691-L794 HydrophobicContact CD1-CD2 3.56Å; L691-L794 HydrophobicContact CG-CD2 4.36Å; L691-T795 HydrophobicContact CB-CG2 3.63Å; L691-T795 HydrophobicContact CD1-CG2 4.26Å; L691-T795 HydrophobicContact CG-CG2 4.09Å; L691-I799 HydrophobicContact CD1-CD1 4.12Å; L691-I799 HydrophobicContact CD2-CD1 3.91Å; L691-I799 HydrophobicContact CG-CD1 3.59Å |
| 692 | F | 84.8 | Confident | 81.6 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.8 | -26.6 | -179.2 | -72.5 | -94.5 | 0 | 0 | 0 | 112.5 | V612 I616 Y688 C689 I690 L694 L695 L705 S706 I709 | V612-F692 HydrophobicContact CG1-CB 3.63Å; V612-F692 HydrophobicContact CG1-CG 4.27Å; V612-F692 HydrophobicContact CG2-CB 4.11Å; V612-F692 HydrophobicContact CG2-CG 4.45Å; I616-F692 HydrophobicContact CD1-CB 4.33Å; Y688-F692 HydrophobicContact CD1-CE2 4.4Å; Y688-F692 HydrophobicContact CD2-CE2 4.39Å; Y688-F692 HydrophobicContact CE1-CD2 4.4Å; Y688-F692 AromaticContact CE1-CE2 3.77Å; Y688-F692 HydrophobicContact CE1-CE2 3.77Å; Y688-F692 AromaticContact CE2-CE2 3.76Å; Y688-F692 HydrophobicContact CE2-CE2 3.76Å; Y688-F692 HydrophobicContact CE2-CZ 4.4Å; Y688-F692 AromaticContact CZ-CE2 3.41Å; Y688-F692 VanDerWaalsContact CZ-CE2 3.41Å; Y688-F692 AromaticContact CZ-CZ 3.95Å; Y688-F692 WeakPolarHBondContact OH-CE2 3.34Å; C689-F692 PolarHBondContact O-N 3.28Å; I690-F692 VanDerWaalsContact C-N 3.28Å; I690-F692 PolarHBondContact O-N 2.96Å; F692-L694 PolarHBondContact O-N 2.87Å; F692-L694 VanDerWaalsContact O-N 3.17Å; F692-L695 HydrophobicContact CD1-CD1 3.78Å; F692-L695 HydrophobicContact CE1-CD1 4.25Å; F692-L695 HydrophobicContact CG-CD1 4.49Å; F692-L695 WeakPolarHBondContact O-CB 3.5Å; F692-L695 PolarHBondContact O-N 3.32Å; F692-L695 VanDerWaalsContact O-N 3.14Å; F692-L705 HydrophobicContact CE1-CB 4.46Å; F692-L705 HydrophobicContact CE1-CD2 4.31Å; F692-L705 HydrophobicContact CE1-CG 4.22Å; F692-S706 VanDerWaalsContact CE1-CA 3.49Å; F692-I709 HydrophobicContact CE1-CD1 4.12Å; F692-I709 HydrophobicContact CZ-CB 4.28Å; F692-I709 HydrophobicContact CZ-CD1 4.03Å; F692-I709 HydrophobicContact CZ-CG2 4.4Å |
| 693 | T | 79.5 | Confident | 81 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -16 | 176.2 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | M615 K619 W638 I690 L691 | M615-T693 HydrophobicContact CB-CG2 3.61Å; M615-T693 HydrophobicContact CG-CG2 4.23Å; M615-T693 HydrophobicContact SD-CG2 3.6Å; M615-T693 VanDerWaalsContact SD-CG2 3.6Å; K619-T693 PolarHBondContact NZ-O 2.96Å; W638-T693 PolarHBondContact NE1-OG1 3.34Å; I690-T693 WeakPolarHBondContact O-CB 3.4Å; I690-T693 PolarHBondContact O-N 3.42Å; I690-T693 PolarHBondContact O-OG1 3.23Å; L691-T693 VanDerWaalsContact C-N 3.3Å; L691-T693 PolarHBondContact O-N 3.31Å |
| 694 | L | 76.7 | Confident | 80 | Confident | 28 Ų | 28 | 33.3 Ų | 33.3 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -26.3 | 176.6 | -58 | 171.6 | 0 | 0 | 0 | 112.1 | W638 L691 F692 T795 I799 I803 | W638-L694 HydrophobicContact CH2-CD2 4.11Å; W638-L694 HydrophobicContact CZ2-CD2 4.12Å; L691-L694 WeakPolarHBondContact O-CB 3.32Å; L691-L694 PolarHBondContact O-N 3.46Å; F692-L694 PolarHBondContact O-N 2.87Å; F692-L694 VanDerWaalsContact O-N 3.17Å; L694-T795 VanDerWaalsContact CD1-O 3.23Å; L694-T795 WeakPolarHBondContact CD1-O 3.42Å; L694-I799 HydrophobicContact CB-CG2 3.72Å; L694-I799 HydrophobicContact CD1-CB 3.79Å; L694-I799 HydrophobicContact CD1-CD1 4.24Å; L694-I799 HydrophobicContact CD1-CG2 3.64Å; L694-I799 HydrophobicContact CG-CG2 4.31Å; L694-I803 HydrophobicContact CB-CD1 4.5Å |
| 695 | L | 71.3 | Confident | 79.4 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 27% | 0.272 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -66.1 | 151.7 | 178.7 | -55.8 | 177.3 | 0 | 0 | 0 | 111.4 | K619 F692 V697 L705 | K619-L695 PolarHBondContact NZ-O 2.95Å; F692-L695 HydrophobicContact CD1-CD1 3.78Å; F692-L695 HydrophobicContact CE1-CD1 4.25Å; F692-L695 HydrophobicContact CG-CD1 4.49Å; F692-L695 WeakPolarHBondContact O-CB 3.5Å; F692-L695 PolarHBondContact O-N 3.32Å; F692-L695 VanDerWaalsContact O-N 3.14Å; L695-V697 HydrophobicContact CB-CG2 4.27Å; L695-L705 HydrophobicContact CD1-CD2 4.44Å |
| 696 | K | 67.9 | Low | 79.1 | Confident | 162 Ų | 162 | 36.2 Ų | 36.2 | 70% | 0.704 | 18% | 0.176 | S | C | * | . | trans | -103.4 | 62.2 | 176.1 | -67.1 | -178.4 | 179.7 | 174.7 | 0 | 109.9 | H807 | K696-H807 PolarHBondContact NZ-NE2 3.3Å; K696-H807 VanDerWaalsContact NZ-NE2 3.1Å | ||
| 697 | V | 68.8 | Low | 78.6 | Confident | 48 Ų | 48 | 36.4 Ų | 36.4 | 29% | 0.291 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -131.2 | 138.7 | -173.2 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | L695 S699 I701 A702 | L695-V697 HydrophobicContact CB-CG2 4.27Å; V697-S699 PolarHBondContact O-N 2.78Å; V697-I701 HydrophobicContact CG1-CB 3.74Å; V697-I701 HydrophobicContact CG1-CG2 3.68Å; V697-A702 HydrophobicContact CB-CB 4.29Å; V697-A702 HydrophobicContact CG1-CB 4.15Å |
| 698 | R | 70 | Confident | 77.9 | Confident | 145 Ų | 145 | 38.8 Ų | 38.8 | 55% | 0.547 | 19% | 0.191 | S | C | . | . | trans | -54.1 | 137.6 | 178.4 | -71.7 | -175.5 | 179.1 | 171.2 | 1.9 | 111.3 | D620 T700 I701 A702 | D620-R698 VanDerWaalsContact OD2-CA 3.29Å; D620-R698 WeakPolarHBondContact OD2-CA 3.22Å; R698-T700 VanDerWaalsContact C-N 3.34Å; R698-T700 PolarHBondContact O-N 3.42Å; R698-T700 VanDerWaalsContact O-N 3.15Å; R698-I701 PolarHBondContact O-N 3.13Å; R698-A702 PolarHBondContact O-N 3.29Å | ||
| 699 | S | 73.9 | Confident | 77.5 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -42 | -53.9 | -175.8 | 66.1 | 0 | 0 | 0 | 0 | 114.3 | D617 D620 V697 I701 A702 S703 | D617-S699 WeakPolarHBondContact OD1-CB 3.34Å; D617-S699 PolarHBondContact OD1-OG 2.72Å; D620-S699 PolarHBondContact OD2-N 2.98Å; V697-S699 PolarHBondContact O-N 2.78Å; S699-I701 VanDerWaalsContact C-N 3.28Å; S699-I701 PolarHBondContact O-N 2.9Å; S699-A702 PolarHBondContact O-N 3.44Å; S699-S703 WeakPolarHBondContact O-CB 3.41Å; S699-S703 PolarHBondContact O-N 3.36Å; S699-S703 PolarHBondContact O-OG 3.36Å; S699-S703 VanDerWaalsContact O-OG 3.13Å |
| 700 | T | 71.1 | Confident | 77.3 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 22% | 0.221 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.9 | -31.6 | -179.8 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | R698 S703 | R698-T700 VanDerWaalsContact C-N 3.34Å; R698-T700 PolarHBondContact O-N 3.42Å; R698-T700 VanDerWaalsContact O-N 3.15Å; T700-S703 PolarHBondContact O-OG 3.46Å |
| 701 | I | 70.2 | Confident | 77 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 26% | 0.256 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -82.8 | -44.9 | 176.7 | -60.9 | 172.3 | 0 | 0 | 0 | 109.1 | V697 R698 S699 S703 I704 L705 | V697-I701 HydrophobicContact CG1-CB 3.74Å; V697-I701 HydrophobicContact CG1-CG2 3.68Å; R698-I701 PolarHBondContact O-N 3.13Å; S699-I701 VanDerWaalsContact C-N 3.28Å; S699-I701 PolarHBondContact O-N 2.9Å; I701-S703 VanDerWaalsContact C-N 3.34Å; I701-S703 PolarHBondContact O-N 3.34Å; I701-I704 PolarHBondContact O-N 2.83Å; I701-L705 WeakPolarHBondContact O-CB 3.43Å; I701-L705 PolarHBondContact O-N 3.45Å |
| 702 | A | 79.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I616 V697 R698 S699 I704 S706 | I616-A702 HydrophobicContact CD1-CB 3.42Å; I616-A702 VanDerWaalsContact CD1-CB 3.42Å; V697-A702 HydrophobicContact CB-CB 4.29Å; V697-A702 HydrophobicContact CG1-CB 4.15Å; R698-A702 PolarHBondContact O-N 3.29Å; S699-A702 PolarHBondContact O-N 3.44Å; A702-I704 VanDerWaalsContact C-N 3.32Å; A702-I704 PolarHBondContact O-N 3.31Å; A702-S706 PolarHBondContact O-N 3.28Å; A702-S706 PolarHBondContact O-OG 3.01Å |
| 703 | S | 79.3 | Confident | 76.4 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.5 | -28.9 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | I609 S699 T700 I701 S706 | I609-S703 WeakPolarHBondContact CG1-O 3.29Å; I609-S703 WeakPolarHBondContact O-CB 3.35Å; S699-S703 WeakPolarHBondContact O-CB 3.41Å; S699-S703 PolarHBondContact O-N 3.36Å; S699-S703 PolarHBondContact O-OG 3.36Å; S699-S703 VanDerWaalsContact O-OG 3.13Å; T700-S703 PolarHBondContact O-OG 3.46Å; I701-S703 VanDerWaalsContact C-N 3.34Å; I701-S703 PolarHBondContact O-N 3.34Å; S703-S706 PolarHBondContact O-OG 3.44Å |
| 704 | I | 70.8 | Confident | 76.5 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -85.6 | -38.8 | 177.7 | -70.6 | 172.9 | 0 | 0 | 0 | 110.2 | I701 A702 S706 G707 I708 V1695 | I701-I704 PolarHBondContact O-N 2.83Å; A702-I704 VanDerWaalsContact C-N 3.32Å; A702-I704 PolarHBondContact O-N 3.31Å; I704-S706 VanDerWaalsContact C-N 3.27Å; I704-S706 PolarHBondContact O-N 3.41Å; I704-G707 PolarHBondContact O-N 2.99Å; I704-I708 HydrophobicContact CG2-CD1 3.81Å; I704-I708 HydrophobicContact CG2-CG1 4.4Å; I704-I708 WeakPolarHBondContact O-CG1 3.49Å; I704-I708 PolarHBondContact O-N 3.47Å; I704-V1695 HydrophobicContact CD1-CB 4.13Å; I704-V1695 HydrophobicContact CD1-CG1 3.24Å; I704-V1695 HydrophobicContact CD1-CG2 3.74Å |
| 705 | L | 77.5 | Confident | 76.4 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 172.2 | -169.7 | 70.1 | 0 | 0 | 0 | 111.6 | F692 L695 I701 I708 I709 | F692-L705 HydrophobicContact CE1-CB 4.46Å; F692-L705 HydrophobicContact CE1-CD2 4.31Å; F692-L705 HydrophobicContact CE1-CG 4.22Å; L695-L705 HydrophobicContact CD1-CD2 4.44Å; I701-L705 WeakPolarHBondContact O-CB 3.43Å; I701-L705 PolarHBondContact O-N 3.45Å; L705-I708 PolarHBondContact O-N 2.93Å; L705-I709 HydrophobicContact CD1-CD1 4.07Å; L705-I709 HydrophobicContact CD1-CG1 4.46Å; L705-I709 HydrophobicContact CD2-CD1 4.41Å; L705-I709 HydrophobicContact CG-CD1 3.82Å; L705-I709 HydrophobicContact CG-CG1 4.46Å; L705-I709 WeakPolarHBondContact O-CB 3.2Å; L705-I709 VanDerWaalsContact O-CG1 3.31Å; L705-I709 WeakPolarHBondContact O-CG1 3.42Å; L705-I709 PolarHBondContact O-N 2.96Å |
| 706 | S | 84.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -36 | 177 | 69 | 0 | 0 | 0 | 0 | 113.4 | Y688 F692 A702 S703 I704 Y710 | Y688-S706 PolarHBondContact OH-O 2.92Å; F692-S706 VanDerWaalsContact CE1-CA 3.49Å; A702-S706 PolarHBondContact O-N 3.28Å; A702-S706 PolarHBondContact O-OG 3.01Å; S703-S706 PolarHBondContact O-OG 3.44Å; I704-S706 VanDerWaalsContact C-N 3.27Å; I704-S706 PolarHBondContact O-N 3.41Å; S706-Y710 WeakPolarHBondContact O-CB 3.45Å; S706-Y710 PolarHBondContact O-N 3.32Å |
| 707 | G | 81.7 | Confident | 76.8 | Confident | 8 Ų | 8 | 43 Ų | 43 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.9 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | I704 Y710 F711 | I704-G707 PolarHBondContact O-N 2.99Å; G707-Y710 PolarHBondContact O-N 3.12Å; G707-F711 PolarHBondContact O-N 3.06Å; G707-F711 VanDerWaalsContact O-N 3.1Å |
| 708 | I | 74.2 | Confident | 76.8 | Confident | 78 Ų | 78 | 42 Ų | 42 | 40% | 0.4 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 178.2 | -66.4 | 169.4 | 0 | 0 | 0 | 110.7 | I704 L705 Y710 F711 L712 | I704-I708 HydrophobicContact CG2-CD1 3.81Å; I704-I708 HydrophobicContact CG2-CG1 4.4Å; I704-I708 WeakPolarHBondContact O-CG1 3.49Å; I704-I708 PolarHBondContact O-N 3.47Å; L705-I708 PolarHBondContact O-N 2.93Å; I708-Y710 VanDerWaalsContact C-N 3.32Å; I708-Y710 PolarHBondContact O-N 3.45Å; I708-F711 PolarHBondContact O-N 3.48Å; I708-L712 HydrophobicContact CG2-CD1 4.02Å; I708-L712 WeakPolarHBondContact O-CG 3.24Å; I708-L712 PolarHBondContact O-N 2.95Å |
| 709 | I | 83.2 | Confident | 76.5 | Confident | 60 Ų | 60 | 38 Ų | 38 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -36.4 | 178.7 | -68.4 | 175.6 | 0 | 0 | 0 | 111.1 | Y688 F692 L705 F711 L712 L713 | Y688-I709 HydrophobicContact CE2-CG2 4.46Å; Y688-I709 WeakPolarHBondContact OH-CB 3.2Å; Y688-I709 WeakPolarHBondContact OH-CG2 3.36Å; F692-I709 HydrophobicContact CE1-CD1 4.12Å; F692-I709 HydrophobicContact CZ-CB 4.28Å; F692-I709 HydrophobicContact CZ-CD1 4.03Å; F692-I709 HydrophobicContact CZ-CG2 4.4Å; L705-I709 HydrophobicContact CD1-CD1 4.07Å; L705-I709 HydrophobicContact CD1-CG1 4.46Å; L705-I709 HydrophobicContact CD2-CD1 4.41Å; L705-I709 HydrophobicContact CG-CD1 3.82Å; L705-I709 HydrophobicContact CG-CG1 4.46Å; L705-I709 WeakPolarHBondContact O-CB 3.2Å; L705-I709 VanDerWaalsContact O-CG1 3.31Å; L705-I709 WeakPolarHBondContact O-CG1 3.42Å; L705-I709 PolarHBondContact O-N 2.96Å; I709-F711 VanDerWaalsContact C-N 3.33Å; I709-F711 PolarHBondContact O-N 3.34Å; I709-L712 PolarHBondContact O-N 3.23Å; I709-L713 HydrophobicContact CG2-CD1 3.98Å; I709-L713 HydrophobicContact CG2-CG 4.27Å; I709-L713 WeakPolarHBondContact O-CB 2.81Å; I709-L713 VanDerWaalsContact O-CG 3.29Å; I709-L713 WeakPolarHBondContact O-CG 3Å; I709-L713 PolarHBondContact O-N 3.3Å |
| 710 | Y | 85.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 176.6 | 175.6 | -87.3 | 0 | 0 | 0 | 111.9 | I601 I605 I608 Y681 Y688 S706 G707 I708 F714 Q740 | I601-Y710 HydrophobicContact CG2-CE1 3.74Å; I601-Y710 WeakPolarHBondContact O-CE1 3.41Å; I601-Y710 PolarHBondContact O-OH 3.11Å; I605-Y710 HydrophobicContact CD1-CD1 4.16Å; I605-Y710 HydrophobicContact CD1-CE1 4.27Å; I605-Y710 HydrophobicContact CG1-CD1 3.55Å; I605-Y710 HydrophobicContact CG1-CE1 3.54Å; I608-Y710 HydrophobicContact CD1-CD2 3.39Å; I608-Y710 HydrophobicContact CD1-CE1 4.41Å; I608-Y710 HydrophobicContact CD1-CE2 3.23Å; I608-Y710 HydrophobicContact CD1-CG 4.07Å; Y681-Y710 PolarHBondContact OH-OH 2.78Å; Y688-Y710 HydrophobicContact CE1-CD2 4.25Å; Y688-Y710 PolarHBondContact OH-N 2.8Å; S706-Y710 WeakPolarHBondContact O-CB 3.45Å; S706-Y710 PolarHBondContact O-N 3.32Å; G707-Y710 PolarHBondContact O-N 3.12Å; I708-Y710 VanDerWaalsContact C-N 3.32Å; I708-Y710 PolarHBondContact O-N 3.45Å; Y710-F714 PolarHBondContact O-N 3.42Å; Y710-Q740 VanDerWaalsContact CD2-NE2 3.32Å; Y710-Q740 HydrophobicContact CE2-CG 4.31Å |
| 711 | F | 79.2 | Confident | 75.7 | Confident | 84 Ų | 84 | 37.4 Ų | 37.4 | 37% | 0.368 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.6 | -41 | 174.3 | -179.2 | -111 | 0 | 0 | 0 | 112.4 | L602 G707 I708 I709 L713 F714 M715 | L602-F711 HydrophobicContact CD2-CD2 4Å; L602-F711 HydrophobicContact CD2-CE2 4.12Å; G707-F711 PolarHBondContact O-N 3.06Å; G707-F711 VanDerWaalsContact O-N 3.1Å; I708-F711 PolarHBondContact O-N 3.48Å; I709-F711 VanDerWaalsContact C-N 3.33Å; I709-F711 PolarHBondContact O-N 3.34Å; F711-L713 PolarHBondContact O-N 3.05Å; F711-F714 HydrophobicContact CE2-CD1 4.5Å; F711-F714 WeakPolarHBondContact O-CB 3.47Å; F711-F714 PolarHBondContact O-N 3.36Å; F711-F714 VanDerWaalsContact O-N 3.13Å; F711-M715 HydrophobicContact CE1-CE 3.64Å; F711-M715 HydrophobicContact CZ-CE 3.71Å; F711-M715 PolarHBondContact O-N 3.19Å |
| 712 | L | 76.1 | Confident | 75.2 | Confident | 85 Ų | 85 | 40.7 Ų | 40.7 | 45% | 0.445 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 175.1 | -70.1 | 171.3 | 0 | 0 | 0 | 112.6 | I708 I709 F714 M715 P716 | I708-L712 HydrophobicContact CG2-CD1 4.02Å; I708-L712 WeakPolarHBondContact O-CG 3.24Å; I708-L712 PolarHBondContact O-N 2.95Å; I709-L712 PolarHBondContact O-N 3.23Å; L712-F714 PolarHBondContact O-N 2.91Å; L712-M715 PolarHBondContact O-N 3.42Å; L712-M715 VanDerWaalsContact O-N 3.16Å; L712-P716 WeakPolarHBondContact O-CD 3.32Å |
| 713 | L | 83.2 | Confident | 74.2 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 28% | 0.277 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -17.7 | 174.1 | -74 | 170.1 | 0 | 0 | 0 | 113.6 | Y688 I709 F711 I738 Q740 | Y688-L713 HydrophobicContact CD2-CD1 4.46Å; Y688-L713 HydrophobicContact CE2-CD1 3.72Å; I709-L713 HydrophobicContact CG2-CD1 3.98Å; I709-L713 HydrophobicContact CG2-CG 4.27Å; I709-L713 WeakPolarHBondContact O-CB 2.81Å; I709-L713 VanDerWaalsContact O-CG 3.29Å; I709-L713 WeakPolarHBondContact O-CG 3Å; I709-L713 PolarHBondContact O-N 3.3Å; F711-L713 PolarHBondContact O-N 3.05Å; L713-I738 HydrophobicContact CB-CG2 4.27Å; L713-I738 HydrophobicContact CD2-CG2 4.14Å; L713-Q740 HydrophobicContact CB-CG 4.22Å |
| 714 | F | 82 | Confident | 73 | Confident | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -84.2 | -27.6 | 172.5 | 161.1 | -105.1 | 0 | 0 | 0 | 113.1 | Q598 I601 Y710 F711 L712 P716 A717 Q740 | Q598-F714 HydrophobicContact CB-CE1 4.27Å; Q598-F714 HydrophobicContact CB-CE2 4.25Å; Q598-F714 HydrophobicContact CB-CZ 3.59Å; Q598-F714 HydrophobicContact CG-CE2 4.28Å; Q598-F714 HydrophobicContact CG-CZ 3.63Å; I601-F714 HydrophobicContact CB-CD2 4.45Å; I601-F714 HydrophobicContact CD1-CD2 3.53Å; I601-F714 HydrophobicContact CD1-CE2 4.02Å; I601-F714 HydrophobicContact CD1-CG 4.49Å; I601-F714 HydrophobicContact CG2-CB 4.1Å; I601-F714 HydrophobicContact CG2-CD2 4.19Å; I601-F714 HydrophobicContact CG2-CG 4.17Å; Y710-F714 PolarHBondContact O-N 3.42Å; F711-F714 HydrophobicContact CE2-CD1 4.5Å; F711-F714 WeakPolarHBondContact O-CB 3.47Å; F711-F714 PolarHBondContact O-N 3.36Å; F711-F714 VanDerWaalsContact O-N 3.13Å; L712-F714 PolarHBondContact O-N 2.91Å; F714-P716 VanDerWaalsContact C-CD 3.46Å; F714-A717 HydrophobicContact CD2-CB 3.89Å; F714-A717 HydrophobicContact CE2-CB 3.89Å; F714-A717 WeakPolarHBondContact O-CA 3.36Å; F714-A717 WeakPolarHBondContact O-CB 3.39Å; F714-A717 PolarHBondContact O-N 2.96Å; F714-Q740 HydrophobicContact CB-CB 4.48Å |
| 715 | M | 73 | Confident | 72 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.3 | -38 | -176.2 | -74.6 | -64.1 | -161.3 | 0 | 0 | 115.7 | F711 L712 A717 S718 V719 | F711-M715 HydrophobicContact CE1-CE 3.64Å; F711-M715 HydrophobicContact CZ-CE 3.71Å; F711-M715 PolarHBondContact O-N 3.19Å; L712-M715 PolarHBondContact O-N 3.42Å; L712-M715 VanDerWaalsContact O-N 3.16Å; M715-A717 PolarHBondContact O-N 3.41Å; M715-S718 PolarHBondContact O-N 3.02Å; M715-S718 PolarHBondContact O-OG 2.89Å; M715-V719 PolarHBondContact O-N 3.33Å |
| 716 | P | 76.2 | Confident | 70.6 | Confident | 33 Ų | 33 | 49 Ų | 49 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -30.4 | 173.7 | -26 | 35.6 | 0 | 0 | 0 | 113.2 | L712 F714 L720 F735 I738 V741 | L712-P716 WeakPolarHBondContact O-CD 3.32Å; F714-P716 VanDerWaalsContact C-CD 3.46Å; P716-L720 WeakPolarHBondContact O-CB 3.25Å; P716-L720 WeakPolarHBondContact O-CD1 3.27Å; P716-L720 WeakPolarHBondContact O-CG 3.29Å; P716-L720 PolarHBondContact O-N 3.08Å; P716-L720 VanDerWaalsContact O-N 3.09Å; P716-F735 HydrophobicContact CB-CD1 3.99Å; P716-I738 HydrophobicContact CG-CD1 4.46Å; P716-V741 HydrophobicContact CB-CG2 4.11Å |
| 717 | A | 72.3 | Confident | 68.9 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -54.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | F714 M715 V719 L720 L721 V741 S744 | F714-A717 HydrophobicContact CD2-CB 3.89Å; F714-A717 HydrophobicContact CE2-CB 3.89Å; F714-A717 WeakPolarHBondContact O-CA 3.36Å; F714-A717 WeakPolarHBondContact O-CB 3.39Å; F714-A717 PolarHBondContact O-N 2.96Å; M715-A717 PolarHBondContact O-N 3.41Å; A717-V719 PolarHBondContact O-N 2.94Å; A717-V719 VanDerWaalsContact O-N 3.15Å; A717-L720 CarbonylContact O-C 3.58Å; A717-L720 WeakPolarHBondContact O-CA 3.45Å; A717-L720 WeakPolarHBondContact O-CB 3.1Å; A717-L720 PolarHBondContact O-N 3.11Å; A717-L721 HydrophobicContact CB-CD2 4.43Å; A717-L721 WeakPolarHBondContact O-CD2 3.31Å; A717-L721 WeakPolarHBondContact O-CG 3.46Å; A717-L721 PolarHBondContact O-N 2.94Å; A717-V741 HydrophobicContact CB-CG2 4.3Å; A717-S744 VanDerWaalsContact CB-OG 3.32Å; A717-S744 WeakPolarHBondContact CB-OG 3.46Å |
| 718 | S | 68.3 | Low | 67.7 | Low | 29 Ų | 29 | 59.3 Ų | 59.3 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -32.4 | -175.3 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | M715 | M715-S718 PolarHBondContact O-N 3.02Å; M715-S718 PolarHBondContact O-OG 2.89Å |
| 719 | V | 64.1 | Low | 67.1 | Low | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -58 | 168.8 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | M715 A717 L721 R722 Y723 Y1297 | M715-V719 PolarHBondContact O-N 3.33Å; A717-V719 PolarHBondContact O-N 2.94Å; A717-V719 VanDerWaalsContact O-N 3.15Å; V719-L721 VanDerWaalsContact C-N 3.28Å; V719-L721 PolarHBondContact O-N 3.46Å; V719-R722 PolarHBondContact O-N 3.38Å; V719-R722 VanDerWaalsContact O-N 3.16Å; V719-Y723 PolarHBondContact O-N 2.76Å; V719-Y1297 HydrophobicContact CG1-CE1 4.35Å; V719-Y1297 HydrophobicContact CG1-CE2 4.14Å; V719-Y1297 HydrophobicContact CG2-CE1 4.33Å; V719-Y1297 PolarHBondContact O-OH 3.46Å; V719-Y1297 VanDerWaalsContact O-OH 3.11Å |
| 720 | L | 65.3 | Low | 66.2 | Low | 24 Ų | 24 | 60.4 Ų | 60.4 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.4 | -36.5 | 179.8 | -71.3 | 170.3 | 0 | 0 | 0 | 113.3 | P716 A717 R722 Y723 L726 L732 F735 V741 | P716-L720 WeakPolarHBondContact O-CB 3.25Å; P716-L720 WeakPolarHBondContact O-CD1 3.27Å; P716-L720 WeakPolarHBondContact O-CG 3.29Å; P716-L720 PolarHBondContact O-N 3.08Å; P716-L720 VanDerWaalsContact O-N 3.09Å; A717-L720 CarbonylContact O-C 3.58Å; A717-L720 WeakPolarHBondContact O-CA 3.45Å; A717-L720 WeakPolarHBondContact O-CB 3.1Å; A717-L720 PolarHBondContact O-N 3.11Å; L720-R722 PolarHBondContact O-N 3.13Å; L720-Y723 CarbonylContact O-C 3.59Å; L720-Y723 PolarHBondContact O-N 2.8Å; L720-Y723 VanDerWaalsContact O-N 3.1Å; L720-L726 HydrophobicContact CD2-CD1 3.94Å; L720-L732 HydrophobicContact CD2-CD2 3.65Å; L720-F735 HydrophobicContact CD1-CB 3.89Å; L720-F735 HydrophobicContact CD1-CG 4.42Å; L720-V741 HydrophobicContact CD1-CG1 3.74Å |
| 721 | L | 62.8 | Low | 65.3 | Low | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -30.9 | -178.6 | -57 | -148.7 | 0 | 0 | 0 | 112.1 | F594 P597 A717 V719 I748 | F594-L721 HydrophobicContact CD1-CB 4.18Å; F594-L721 WeakPolarHBondContact CE1-O 3.26Å; P597-L721 HydrophobicContact CB-CD1 4.29Å; P597-L721 HydrophobicContact CG-CD1 4.16Å; A717-L721 HydrophobicContact CB-CD2 4.43Å; A717-L721 WeakPolarHBondContact O-CD2 3.31Å; A717-L721 WeakPolarHBondContact O-CG 3.46Å; A717-L721 PolarHBondContact O-N 2.94Å; V719-L721 VanDerWaalsContact C-N 3.28Å; V719-L721 PolarHBondContact O-N 3.46Å; L721-I748 HydrophobicContact CB-CD1 4.44Å; L721-I748 HydrophobicContact CD1-CD1 3.55Å; L721-I748 HydrophobicContact CD1-CG1 4.41Å; L721-I748 HydrophobicContact CD2-CD1 3.22Å; L721-I748 HydrophobicContact CG-CD1 3.85Å |
| 722 | R | 59.4 | Low | 64.7 | Low | 120 Ų | 120 | 60 Ų | 60 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -77.9 | -32.3 | 177.2 | -153.7 | 176 | -171.6 | -175.8 | 3.2 | 111.1 | K518 V719 L720 N724 | K518-R722 PolarHBondContact NZ-O 3.44Å; V719-R722 PolarHBondContact O-N 3.38Å; V719-R722 VanDerWaalsContact O-N 3.16Å; L720-R722 PolarHBondContact O-N 3.13Å; R722-N724 PolarHBondContact O-N 3.11Å |
| 723 | Y | 60 | Low | 64.6 | Low | 121 Ų | 121 | 58.1 Ų | 58.1 | 48% | 0.475 | 30% | 0.304 | S | S | . | . | trans | -94.2 | 66.2 | -173.7 | -120.6 | -81.9 | 0 | 0 | 0 | 112.9 | V719 L720 E725 L726 Y1297 | V719-Y723 PolarHBondContact O-N 2.76Å; L720-Y723 CarbonylContact O-C 3.59Å; L720-Y723 PolarHBondContact O-N 2.8Å; L720-Y723 VanDerWaalsContact O-N 3.1Å; Y723-E725 PolarHBondContact O-N 2.67Å; Y723-E725 VanDerWaalsContact O-N 3.1Å; Y723-L726 HydrophobicContact CD1-CD1 4.03Å; Y723-L726 HydrophobicContact CD1-CG 3.88Å; Y723-L726 HydrophobicContact CG-CD1 4.26Å; Y723-Y1297 HydrophobicContact CD2-CE2 4.12Å; Y723-Y1297 HydrophobicContact CE2-CE2 4.14Å | ||
| 724 | N | 52.5 | Low | 64.2 | Low | 60 Ų | 60 | 59.6 Ų | 59.6 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.5 | 173 | -87.5 | -13.3 | 0 | 0 | 0 | 114.5 | R722 R752 | R722-N724 PolarHBondContact O-N 3.11Å; N724-R752 PolarHBondContact OD1-NH2 3.34Å |
| 725 | E | 50.8 | Low | 64.1 | Low | 75 Ų | 75 | 63.8 Ų | 63.8 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 47 | -173.1 | -68 | 178.6 | -123.1 | 0 | 0 | 112.4 | N512 H513 Y723 P727 | N512-E725 VanDerWaalsContact CB-OE2 3.31Å; N512-E725 WeakPolarHBondContact CB-OE2 3.48Å; N512-E725 PolarHBondContact ND2-OE2 2.88Å; H513-E725 IonicContact CE1-OE1 2.68Å; H513-E725 PolarHBondContact CE1-OE1 3.17Å; H513-E725 VanDerWaalsContact CE1-OE1 3.31Å; H513-E725 IonicContact ND1-OE1 3.15Å; H513-E725 PolarHBondContact ND1-OE1 3.46Å; Y723-E725 PolarHBondContact O-N 2.67Å; Y723-E725 VanDerWaalsContact O-N 3.1Å; E725-P727 WeakPolarHBondContact O-CD 3.46Å |
| 726 | L | 48.1 | Very low | 64.3 | Low | 59 Ų | 59 | 60.8 Ų | 60.8 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | trans | -75.8 | 118.1 | 163.1 | -95.9 | 141.9 | 0 | 0 | 0 | 108.5 | L720 Y723 N728 L732 | L720-L726 HydrophobicContact CD2-CD1 3.94Å; Y723-L726 HydrophobicContact CD1-CD1 4.03Å; Y723-L726 HydrophobicContact CD1-CG 3.88Å; Y723-L726 HydrophobicContact CG-CD1 4.26Å; L726-N728 PolarHBondContact O-N 3.09Å; L726-L732 HydrophobicContact CB-CD2 3.85Å; L726-L732 HydrophobicContact CD1-CD2 3.53Å; L726-L732 HydrophobicContact CD2-CD2 4.43Å; L726-L732 HydrophobicContact CG-CD2 4.1Å | ||
| 727 | P | 49.5 | Very low | 64.7 | Low | 119 Ų | 119 | 62 Ų | 62 | 77% | 0.773 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -71.7 | -1.5 | -164.7 | 27.9 | -36.5 | 0 | 0 | 0 | 114.9 | E725 | E725-P727 WeakPolarHBondContact O-CD 3.46Š|
| 728 | N | 56.3 | Low | 65.4 | Low | 106 Ų | 106 | 63.8 Ų | 63.8 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | trans | -142.4 | 111.5 | 174.6 | -78.1 | -56.9 | 0 | 0 | 0 | 110.2 | L726 L730 S731 | L726-N728 PolarHBondContact O-N 3.09Å; N728-L730 HydrophobicContact CB-CB 4.42Å; N728-L730 PolarHBondContact O-N 3.33Å; N728-S731 WeakPolarHBondContact O-CB 3.4Å; N728-S731 PolarHBondContact O-N 2.95Å; N728-S731 PolarHBondContact O-OG 3.06Å | ||
| 729 | D | 60.9 | Low | 66.3 | Low | 38 Ų | 38 | 63.1 Ų | 63.1 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -47.4 | -32.3 | 166.9 | -79.8 | 41.3 | 0 | 0 | 0 | 112.2 | S731 L732 L733 S773 I774 L775 | D729-S731 PolarHBondContact O-N 3.22Å; D729-L732 VanDerWaalsContact O-CB 3.29Å; D729-L732 WeakPolarHBondContact O-CB 3.38Å; D729-L732 PolarHBondContact O-N 3.42Å; D729-L733 PolarHBondContact O-N 2.97Å; D729-S773 WeakPolarHBondContact OD2-CA 3.5Å; D729-S773 WeakPolarHBondContact OD2-CB 3.47Å; D729-I774 HydrophobicContact CB-CB 4.14Å; D729-I774 HydrophobicContact CB-CD1 4.03Å; D729-I774 HydrophobicContact CB-CG1 4.05Å; D729-I774 PolarHBondContact OD2-N 3Å; D729-L775 PolarHBondContact OD2-N 2.98Å; D729-L775 VanDerWaalsContact OD2-N 3.08Å |
| 730 | L | 64 | Low | 67.5 | Low | 122 Ų | 122 | 60.7 Ų | 60.7 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -55 | -34.1 | 178 | -156.3 | 81 | 0 | 0 | 0 | 113.2 | N728 L732 L733 | N728-L730 HydrophobicContact CB-CB 4.42Å; N728-L730 PolarHBondContact O-N 3.33Å; L730-L732 VanDerWaalsContact C-N 3.29Å; L730-L732 PolarHBondContact O-N 2.71Å; L730-L733 HydrophobicContact CD1-CD1 3.79Å; L730-L733 HydrophobicContact CG-CD1 4.32Å |
| 731 | S | 67.8 | Low | 68.6 | Low | 52 Ų | 52 | 59.6 Ų | 59.6 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -74.1 | -18.2 | 177.2 | 67.4 | 0 | 0 | 0 | 0 | 113.6 | N728 D729 P734 | N728-S731 WeakPolarHBondContact O-CB 3.4Å; N728-S731 PolarHBondContact O-N 2.95Å; N728-S731 PolarHBondContact O-OG 3.06Å; D729-S731 PolarHBondContact O-N 3.22Å; S731-P734 WeakPolarHBondContact O-CD 3.49Å |
| 732 | L | 66.9 | Low | 69.8 | Low | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.131 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -28.3 | 179.4 | -50 | -173.6 | 0 | 0 | 0 | 112 | L720 L726 D729 L730 P734 F735 C736 | L720-L732 HydrophobicContact CD2-CD2 3.65Å; L726-L732 HydrophobicContact CB-CD2 3.85Å; L726-L732 HydrophobicContact CD1-CD2 3.53Å; L726-L732 HydrophobicContact CD2-CD2 4.43Å; L726-L732 HydrophobicContact CG-CD2 4.1Å; D729-L732 VanDerWaalsContact O-CB 3.29Å; D729-L732 WeakPolarHBondContact O-CB 3.38Å; D729-L732 PolarHBondContact O-N 3.42Å; L730-L732 VanDerWaalsContact C-N 3.29Å; L730-L732 PolarHBondContact O-N 2.71Å; L732-P734 VanDerWaalsContact C-N 3.34Å; L732-F735 PolarHBondContact O-N 3.15Å; L732-C736 PolarHBondContact O-N 3.1Å; L732-C736 PolarHBondContact O-SG 2.88Å; L732-C736 VanDerWaalsContact O-SG 3.39Å |
| 733 | L | 72.5 | Confident | 71.3 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -48.5 | -43 | -175.2 | -62.3 | 177.7 | 0 | 0 | 0 | 114.4 | D729 L730 F735 C736 I737 I774 F783 | D729-L733 PolarHBondContact O-N 2.97Å; L730-L733 HydrophobicContact CD1-CD1 3.79Å; L730-L733 HydrophobicContact CG-CD1 4.32Å; L733-F735 VanDerWaalsContact C-N 3.32Å; L733-F735 PolarHBondContact O-N 3.07Å; L733-C736 PolarHBondContact O-N 3.49Å; L733-I737 PolarHBondContact O-N 3.07Å; L733-I774 HydrophobicContact CD2-CG2 4.4Å; L733-F783 HydrophobicContact CD2-CE1 4.04Å; L733-F783 HydrophobicContact CD2-CE2 4.15Å; L733-F783 HydrophobicContact CD2-CZ 3.45Å; L733-F783 VanDerWaalsContact CD2-CZ 3.45Å |
| 734 | P | 76.1 | Confident | 72.6 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 178.7 | -21.9 | 34.8 | 0 | 0 | 0 | 113.2 | S731 L732 | S731-P734 WeakPolarHBondContact O-CD 3.49Å; L732-P734 VanDerWaalsContact C-N 3.34Å |
| 735 | F | 78.1 | Confident | 74.1 | Confident | 96 Ų | 96 | 46 Ų | 46 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -75.8 | -34.3 | 177.9 | -61.3 | -73.8 | 0 | 0 | 0 | 111.8 | P716 L720 L732 L733 I737 I738 V741 | P716-F735 HydrophobicContact CB-CD1 3.99Å; L720-F735 HydrophobicContact CD1-CB 3.89Å; L720-F735 HydrophobicContact CD1-CG 4.42Å; L732-F735 PolarHBondContact O-N 3.15Å; L733-F735 VanDerWaalsContact C-N 3.32Å; L733-F735 PolarHBondContact O-N 3.07Å; F735-I737 PolarHBondContact O-N 3.14Å; F735-I738 WeakPolarHBondContact O-CB 3.44Å; F735-I738 PolarHBondContact O-N 2.67Å; F735-V741 WeakPolarHBondContact O-CB 3.37Å |
| 736 | C | 77.4 | Confident | 76 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -22.6 | 176.8 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | L732 L733 I738 F783 | L732-C736 PolarHBondContact O-N 3.1Å; L732-C736 PolarHBondContact O-SG 2.88Å; L732-C736 VanDerWaalsContact O-SG 3.39Å; L733-C736 PolarHBondContact O-N 3.49Å; C736-I738 PolarHBondContact O-N 2.76Å; C736-F783 HydrophobicContact CB-CB 4.26Å; C736-F783 HydrophobicContact CB-CD1 4.33Å; C736-F783 HydrophobicContact CB-CD2 4.14Å; C736-F783 HydrophobicContact CB-CG 3.99Å |
| 737 | I | 84.7 | Confident | 77.9 | Confident | 59 Ų | 59 | 39.6 Ų | 39.6 | 30% | 0.303 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.4 | 174.1 | -63.1 | 166.7 | 0 | 0 | 0 | 111.9 | L733 F735 P739 G787 L790 | L733-I737 PolarHBondContact O-N 3.07Å; F735-I737 PolarHBondContact O-N 3.14Å; I737-P739 WeakPolarHBondContact O-CD 3.31Å; I737-G787 VanDerWaalsContact O-CA 3.26Å; I737-G787 WeakPolarHBondContact O-CA 3.3Å; I737-L790 HydrophobicContact CG2-CD1 4.04Å |
| 738 | I | 87.2 | Confident | 79.5 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 20% | 0.195 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -73 | 119.7 | 176.2 | -56.9 | 174.7 | 0 | 0 | 0 | 108.7 | L713 P716 F735 C736 Q740 V741 S742 | L713-I738 HydrophobicContact CB-CG2 4.27Å; L713-I738 HydrophobicContact CD2-CG2 4.14Å; P716-I738 HydrophobicContact CG-CD1 4.46Å; F735-I738 WeakPolarHBondContact O-CB 3.44Å; F735-I738 PolarHBondContact O-N 2.67Å; C736-I738 PolarHBondContact O-N 2.76Å; I738-Q740 VanDerWaalsContact C-N 3.29Å; I738-Q740 HydrophobicContact CG2-CB 4.23Å; I738-Q740 PolarHBondContact O-N 3.42Å; I738-V741 HydrophobicContact CB-CB 4.23Å; I738-V741 HydrophobicContact CB-CG2 3.87Å; I738-V741 HydrophobicContact CD1-CG2 4.41Å; I738-V741 HydrophobicContact CG2-CG2 4.1Å; I738-V741 WeakPolarHBondContact O-CB 3.45Å; I738-V741 PolarHBondContact O-N 2.97Å; I738-S742 PolarHBondContact O-N 3.21Å |
| 739 | P | 88.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 10% | 0.097 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.4 | -37.3 | -174 | -28.3 | 36.6 | 0 | 0 | 0 | 114.1 | S684 I737 V741 S742 Y743 | S684-P739 WeakPolarHBondContact OG-CB 3.37Å; S684-P739 VanDerWaalsContact OG-CG 3.31Å; S684-P739 WeakPolarHBondContact OG-CG 3.37Å; I737-P739 WeakPolarHBondContact O-CD 3.31Å; P739-V741 VanDerWaalsContact C-N 3.32Å; P739-V741 PolarHBondContact O-N 2.83Å; P739-S742 WeakPolarHBondContact CA-OG 3.29Å; P739-S742 PolarHBondContact O-N 3.01Å; P739-S742 PolarHBondContact O-OG 3.18Å; P739-Y743 VanDerWaalsContact O-CB 3.3Å; P739-Y743 WeakPolarHBondContact O-CB 3.21Å; P739-Y743 PolarHBondContact O-N 3.36Å |
| 740 | Q | 89 | Confident | 82.1 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.4 | -43.4 | 173.4 | -68.9 | 80 | -8 | 0 | 0 | 111.9 | I601 Y710 L713 F714 I738 S744 | I601-Q740 WeakPolarHBondContact CD1-O 3.42Å; Y710-Q740 VanDerWaalsContact CD2-NE2 3.32Å; Y710-Q740 HydrophobicContact CE2-CG 4.31Å; L713-Q740 HydrophobicContact CB-CG 4.22Å; F714-Q740 HydrophobicContact CB-CB 4.48Å; I738-Q740 VanDerWaalsContact C-N 3.29Å; I738-Q740 HydrophobicContact CG2-CB 4.23Å; I738-Q740 PolarHBondContact O-N 3.42Å; Q740-S744 WeakPolarHBondContact O-CB 3.46Å; Q740-S744 PolarHBondContact O-N 3.24Å |
| 741 | V | 87.8 | Confident | 83 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.1 | -49.7 | 178.8 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | P716 A717 L720 F735 I738 P739 Y743 S744 L745 | P716-V741 HydrophobicContact CB-CG2 4.11Å; A717-V741 HydrophobicContact CB-CG2 4.3Å; L720-V741 HydrophobicContact CD1-CG1 3.74Å; F735-V741 WeakPolarHBondContact O-CB 3.37Å; I738-V741 HydrophobicContact CB-CB 4.23Å; I738-V741 HydrophobicContact CB-CG2 3.87Å; I738-V741 HydrophobicContact CD1-CG2 4.41Å; I738-V741 HydrophobicContact CG2-CG2 4.1Å; I738-V741 WeakPolarHBondContact O-CB 3.45Å; I738-V741 PolarHBondContact O-N 2.97Å; P739-V741 VanDerWaalsContact C-N 3.32Å; P739-V741 PolarHBondContact O-N 2.83Å; V741-Y743 VanDerWaalsContact C-N 3.3Å; V741-Y743 PolarHBondContact O-N 3Å; V741-S744 PolarHBondContact O-N 3.32Å; V741-S744 VanDerWaalsContact O-N 3.12Å; V741-S744 PolarHBondContact O-OG 3.47Å; V741-L745 HydrophobicContact CG1-CD1 4.06Å; V741-L745 WeakPolarHBondContact O-CG 3.4Å; V741-L745 PolarHBondContact O-N 2.82Å |
| 742 | S | 88.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56 | -42.8 | 177.7 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | I738 P739 L745 I746 L784 | I738-S742 PolarHBondContact O-N 3.21Å; P739-S742 WeakPolarHBondContact CA-OG 3.29Å; P739-S742 PolarHBondContact O-N 3.01Å; P739-S742 PolarHBondContact O-OG 3.18Å; S742-L745 WeakPolarHBondContact O-CB 3.42Å; S742-L745 PolarHBondContact O-N 3.5Å; S742-I746 WeakPolarHBondContact O-CG1 3.43Å; S742-I746 PolarHBondContact O-N 3.29Å; S742-I746 VanDerWaalsContact O-N 3.11Å; S742-L784 VanDerWaalsContact OG-CA 3.31Å; S742-L784 WeakPolarHBondContact OG-CA 3.29Å; S742-L784 VanDerWaalsContact OG-CB 3.3Å; S742-L784 WeakPolarHBondContact OG-CB 3.41Å |
| 743 | Y | 90.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.8 | -36.9 | 177.6 | 177.7 | -108.2 | 0 | 0 | 0 | 112.7 | M600 I601 I677 L678 Y681 P739 V741 L745 I746 W747 | M600-Y743 HydrophobicContact CB-CE1 4.21Å; I601-Y743 HydrophobicContact CD1-CD1 4.04Å; I601-Y743 HydrophobicContact CG1-CD1 3.53Å; I601-Y743 HydrophobicContact CG1-CE1 3.74Å; I677-Y743 HydrophobicContact CG2-CE2 4.47Å; L678-Y743 VanDerWaalsContact CD2-OH 3.28Å; L678-Y743 WeakPolarHBondContact CD2-OH 3.36Å; Y681-Y743 AromaticContact CD1-CD1 3.97Å; Y681-Y743 HydrophobicContact CD1-CD1 3.97Å; Y681-Y743 HydrophobicContact CD1-CD2 4.08Å; Y681-Y743 AromaticContact CD1-CE1 3.72Å; Y681-Y743 HydrophobicContact CD1-CE1 3.72Å; Y681-Y743 AromaticContact CD1-CE2 3.84Å; Y681-Y743 HydrophobicContact CD1-CE2 3.84Å; Y681-Y743 HydrophobicContact CD1-CG 4.13Å; Y681-Y743 AromaticContact CD1-CZ 3.62Å; Y681-Y743 VanDerWaalsContact CD2-CB 3.46Å; Y681-Y743 AromaticContact CD2-CD1 3.83Å; Y681-Y743 HydrophobicContact CD2-CD1 3.83Å; Y681-Y743 AromaticContact CD2-CD2 3.61Å; Y681-Y743 HydrophobicContact CD2-CD2 3.61Å; Y681-Y743 HydrophobicContact CD2-CE1 4.41Å; Y681-Y743 HydrophobicContact CD2-CE2 4.22Å; Y681-Y743 AromaticContact CD2-CG 3.37Å; Y681-Y743 HydrophobicContact CD2-CG 3.37Å; Y681-Y743 AromaticContact CE1-CD1 3.85Å; Y681-Y743 HydrophobicContact CE1-CD1 3.85Å; Y681-Y743 AromaticContact CE1-CE1 3.71Å; Y681-Y743 HydrophobicContact CE1-CE1 3.71Å; Y681-Y743 HydrophobicContact CE1-CG 4.35Å; Y681-Y743 AromaticContact CE2-CD1 3.69Å; Y681-Y743 HydrophobicContact CE2-CD1 3.69Å; Y681-Y743 HydrophobicContact CE2-CD2 4.32Å; Y681-Y743 HydrophobicContact CE2-CE1 4.39Å; Y681-Y743 AromaticContact CE2-CG 3.63Å; Y681-Y743 HydrophobicContact CE2-CG 3.63Å; Y681-Y743 AromaticContact CG-CD1 3.96Å; Y681-Y743 HydrophobicContact CG-CD1 3.96Å; Y681-Y743 AromaticContact CG-CD2 3.46Å; Y681-Y743 HydrophobicContact CG-CD2 3.46Å; Y681-Y743 VanDerWaalsContact CG-CD2 3.46Å; Y681-Y743 HydrophobicContact CG-CE1 4.08Å; Y681-Y743 AromaticContact CG-CE2 3.6Å; Y681-Y743 HydrophobicContact CG-CE2 3.6Å; Y681-Y743 AromaticContact CG-CG 3.63Å; Y681-Y743 HydrophobicContact CG-CG 3.63Å; Y681-Y743 AromaticContact CG-CZ 3.89Å; Y681-Y743 AromaticContact CZ-CD1 3.7Å; P739-Y743 VanDerWaalsContact O-CB 3.3Å; P739-Y743 WeakPolarHBondContact O-CB 3.21Å; P739-Y743 PolarHBondContact O-N 3.36Å; V741-Y743 VanDerWaalsContact C-N 3.3Å; V741-Y743 PolarHBondContact O-N 3Å; Y743-L745 VanDerWaalsContact C-N 3.29Å; Y743-L745 PolarHBondContact O-N 3.38Å; Y743-I746 PolarHBondContact O-N 3.4Å; Y743-W747 AromaticContact CE1-CD1 3.81Å; Y743-W747 AromaticContact CE1-NE1 3.56Å; Y743-W747 AromaticContact CE2-CD1 3.95Å; Y743-W747 AromaticContact CE2-NE1 3.34Å; Y743-W747 VanDerWaalsContact CE2-NE1 3.34Å; Y743-W747 AromaticContact CZ-CD1 3.76Å; Y743-W747 AromaticContact CZ-NE1 3.07Å; Y743-W747 PolarHBondContact O-N 3.04Å; Y743-W747 PolarHBondContact OH-NE1 2.89Å; Y743-W747 VanDerWaalsContact OH-NE1 3.13Å |
| 744 | S | 87.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -37.4 | 173.4 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | A717 Q740 V741 W747 I748 | A717-S744 VanDerWaalsContact CB-OG 3.32Å; A717-S744 WeakPolarHBondContact CB-OG 3.46Å; Q740-S744 WeakPolarHBondContact O-CB 3.46Å; Q740-S744 PolarHBondContact O-N 3.24Å; V741-S744 PolarHBondContact O-N 3.32Å; V741-S744 VanDerWaalsContact O-N 3.12Å; V741-S744 PolarHBondContact O-OG 3.47Å; S744-W747 PolarHBondContact O-N 3.46Å; S744-I748 WeakPolarHBondContact O-CD1 3.42Å; S744-I748 WeakPolarHBondContact O-CG1 3.31Å; S744-I748 PolarHBondContact O-N 2.83Å |
| 745 | L | 84.2 | Confident | 84.7 | Confident | 23 Ų | 23 | 19.1 Ų | 19.1 | 12% | 0.12 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.4 | -40.7 | 177.5 | -68.1 | 162.4 | 0 | 0 | 0 | 111.6 | V741 S742 Y743 W747 I748 F749 L775 | V741-L745 HydrophobicContact CG1-CD1 4.06Å; V741-L745 WeakPolarHBondContact O-CG 3.4Å; V741-L745 PolarHBondContact O-N 2.82Å; S742-L745 WeakPolarHBondContact O-CB 3.42Å; S742-L745 PolarHBondContact O-N 3.5Å; Y743-L745 VanDerWaalsContact C-N 3.29Å; Y743-L745 PolarHBondContact O-N 3.38Å; L745-W747 VanDerWaalsContact C-N 3.32Å; L745-W747 PolarHBondContact O-N 3.21Å; L745-I748 PolarHBondContact O-N 2.69Å; L745-I748 VanDerWaalsContact O-N 3.11Å; L745-F749 HydrophobicContact CB-CE2 4.41Å; L745-F749 WeakPolarHBondContact O-CD2 3.5Å; L745-F749 PolarHBondContact O-N 3.29Å; L745-L775 HydrophobicContact CD1-CD2 4.1Å; L745-L775 HydrophobicContact CD2-CD2 4.01Å |
| 746 | I | 89.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.8 | -47.2 | 174 | -64.9 | 165.1 | 0 | 0 | 0 | 110.6 | I677 S742 Y743 I748 F749 I750 L777 S780 L781 L784 | I677-I746 HydrophobicContact CD1-CG2 3.84Å; I677-I746 HydrophobicContact CG1-CG2 4.21Å; I677-I746 HydrophobicContact CG2-CG2 3.61Å; S742-I746 WeakPolarHBondContact O-CG1 3.43Å; S742-I746 PolarHBondContact O-N 3.29Å; S742-I746 VanDerWaalsContact O-N 3.11Å; Y743-I746 PolarHBondContact O-N 3.4Å; I746-I748 VanDerWaalsContact C-N 3.27Å; I746-I748 PolarHBondContact O-N 3.35Å; I746-F749 PolarHBondContact O-N 3.48Å; I746-I750 HydrophobicContact CG2-CD1 3.99Å; I746-I750 WeakPolarHBondContact O-CG1 3.39Å; I746-I750 PolarHBondContact O-N 3.05Å; I746-L777 HydrophobicContact CG2-CD1 4.45Å; I746-L777 HydrophobicContact CG2-CG 4.35Å; I746-S780 WeakPolarHBondContact CG1-OG 3.23Å; I746-L781 HydrophobicContact CD1-CD2 3.68Å; I746-L781 HydrophobicContact CD1-CG 3.88Å; I746-L781 HydrophobicContact CG1-CG 4.45Å; I746-L784 HydrophobicContact CD1-CD1 3.98Å |
| 747 | W | 88.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.6 | -30.6 | 178 | -81.2 | 106.5 | 0 | 0 | 0 | 113.9 | L596 P597 M600 L660 I666 I674 L678 Y743 S744 L745 I750 N751 | L596-W747 HydrophobicContact CD2-CE3 3.86Å; L596-W747 HydrophobicContact CD2-CZ3 4.17Å; P597-W747 HydrophobicContact CB-CB 4.01Å; P597-W747 HydrophobicContact CG-CB 3.96Å; M600-W747 HydrophobicContact CB-CZ2 4.48Å; M600-W747 HydrophobicContact CG-CD2 4.07Å; M600-W747 HydrophobicContact CG-CH2 4.42Å; M600-W747 HydrophobicContact CG-CZ2 3.94Å; M600-W747 HydrophobicContact SD-CH2 4.25Å; M600-W747 HydrophobicContact SD-CZ2 3.95Å; L660-W747 HydrophobicContact CD1-CH2 3.63Å; L660-W747 HydrophobicContact CD1-CZ3 4.15Å; I666-W747 HydrophobicContact CD1-CE3 4.42Å; I666-W747 HydrophobicContact CD1-CZ3 3.7Å; I674-W747 HydrophobicContact CG2-CH2 4.01Å; L678-W747 HydrophobicContact CD2-CZ2 4.37Å; L678-W747 HydrophobicContact CG-CZ2 4.48Å; Y743-W747 AromaticContact CE1-CD1 3.81Å; Y743-W747 AromaticContact CE1-NE1 3.56Å; Y743-W747 AromaticContact CE2-CD1 3.95Å; Y743-W747 AromaticContact CE2-NE1 3.34Å; Y743-W747 VanDerWaalsContact CE2-NE1 3.34Å; Y743-W747 AromaticContact CZ-CD1 3.76Å; Y743-W747 AromaticContact CZ-NE1 3.07Å; Y743-W747 PolarHBondContact O-N 3.04Å; Y743-W747 PolarHBondContact OH-NE1 2.89Å; Y743-W747 VanDerWaalsContact OH-NE1 3.13Å; S744-W747 PolarHBondContact O-N 3.46Å; L745-W747 VanDerWaalsContact C-N 3.32Å; L745-W747 PolarHBondContact O-N 3.21Å; W747-I750 HydrophobicContact CD2-CD1 4.28Å; W747-I750 HydrophobicContact CE3-CD1 3.96Å; W747-I750 HydrophobicContact CZ3-CD1 4.22Å; W747-N751 WeakPolarHBondContact O-CB 3.23Å; W747-N751 PolarHBondContact O-N 3.36Å; W747-N751 PolarHBondContact O-ND2 3.2Å; W747-N751 PolarHBondContact O-OD1 3.49Å |
| 748 | I | 82.9 | Confident | 83.9 | Confident | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -76.3 | -39.8 | 176.8 | -65.6 | 161.6 | 0 | 0 | 0 | 111 | P597 L721 S744 L745 I746 I750 N751 R752 | P597-I748 HydrophobicContact CG-CD1 4.23Å; P597-I748 HydrophobicContact CG-CG1 3.65Å; L721-I748 HydrophobicContact CB-CD1 4.44Å; L721-I748 HydrophobicContact CD1-CD1 3.55Å; L721-I748 HydrophobicContact CD1-CG1 4.41Å; L721-I748 HydrophobicContact CD2-CD1 3.22Å; L721-I748 HydrophobicContact CG-CD1 3.85Å; S744-I748 WeakPolarHBondContact O-CD1 3.42Å; S744-I748 WeakPolarHBondContact O-CG1 3.31Å; S744-I748 PolarHBondContact O-N 2.83Å; L745-I748 PolarHBondContact O-N 2.69Å; L745-I748 VanDerWaalsContact O-N 3.11Å; I746-I748 VanDerWaalsContact C-N 3.27Å; I746-I748 PolarHBondContact O-N 3.35Å; I748-I750 VanDerWaalsContact C-N 3.3Å; I748-I750 PolarHBondContact O-N 3.18Å; I748-N751 PolarHBondContact O-N 3.16Å; I748-R752 HydrophobicContact CG2-CG 4.3Å; I748-R752 VanDerWaalsContact CG2-NE 3.33Å; I748-R752 WeakPolarHBondContact O-CB 3.42Å; I748-R752 VanDerWaalsContact O-CG 3.28Å; I748-R752 WeakPolarHBondContact O-CG 3.21Å; I748-R752 PolarHBondContact O-N 3.45Å |
| 749 | F | 84.3 | Confident | 83.7 | Confident | 28 Ų | 28 | 18.1 Ų | 18.1 | 12% | 0.123 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 172.3 | -71.4 | -60.5 | 0 | 0 | 0 | 111.6 | L745 I746 L753 L775 L777 | L745-F749 HydrophobicContact CB-CE2 4.41Å; L745-F749 WeakPolarHBondContact O-CD2 3.5Å; L745-F749 PolarHBondContact O-N 3.29Å; I746-F749 PolarHBondContact O-N 3.48Å; F749-L753 WeakPolarHBondContact O-CB 3.29Å; F749-L753 WeakPolarHBondContact O-CG 3.33Å; F749-L753 PolarHBondContact O-N 2.77Å; F749-L775 HydrophobicContact CE2-CD2 4.35Å; F749-L775 HydrophobicContact CE2-CG 4.29Å; F749-L775 HydrophobicContact CZ-CB 4.15Å; F749-L775 HydrophobicContact CZ-CD2 4.2Å; F749-L775 HydrophobicContact CZ-CG 4.18Å; F749-L777 HydrophobicContact CB-CB 3.91Å; F749-L777 HydrophobicContact CB-CD1 3.92Å; F749-L777 HydrophobicContact CB-CG 4.26Å; F749-L777 HydrophobicContact CD2-CB 4.36Å; F749-L777 HydrophobicContact CG-CB 4.27Å |
| 750 | I | 87.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.3 | -58.5 | 169.1 | -66.6 | 163.6 | 0 | 0 | 0 | 110.1 | I666 I677 I746 W747 I748 R752 L753 E754 V760 L777 | I666-I750 HydrophobicContact CD1-CG2 3.99Å; I666-I750 HydrophobicContact CG2-CG2 4.08Å; I677-I750 HydrophobicContact CD1-CD1 4.13Å; I746-I750 HydrophobicContact CG2-CD1 3.99Å; I746-I750 WeakPolarHBondContact O-CG1 3.39Å; I746-I750 PolarHBondContact O-N 3.05Å; W747-I750 HydrophobicContact CD2-CD1 4.28Å; W747-I750 HydrophobicContact CE3-CD1 3.96Å; W747-I750 HydrophobicContact CZ3-CD1 4.22Å; I748-I750 VanDerWaalsContact C-N 3.3Å; I748-I750 PolarHBondContact O-N 3.18Å; I750-R752 VanDerWaalsContact C-N 3.28Å; I750-R752 PolarHBondContact O-N 3.23Å; I750-L753 PolarHBondContact O-N 3.31Å; I750-E754 VanDerWaalsContact O-CB 3.31Å; I750-E754 WeakPolarHBondContact O-CB 3.46Å; I750-E754 PolarHBondContact O-N 3.04Å; I750-V760 HydrophobicContact CB-CG2 4.04Å; I750-V760 HydrophobicContact CG1-CG2 3.72Å; I750-V760 HydrophobicContact CG2-CG2 4.24Å; I750-L777 HydrophobicContact CG1-CD1 4.08Å |
| 751 | N | 82.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.4 | -33.3 | -176.4 | -66.9 | -12.7 | 0 | 0 | 0 | 113.3 | L589 I593 L596 W747 I748 L755 | L589-N751 HydrophobicContact CD1-CB 4.43Å; I593-N751 HydrophobicContact CG1-CB 3.9Å; I593-N751 PolarHBondContact O-ND2 3.21Å; L596-N751 VanDerWaalsContact CD2-OD1 3.31Å; L596-N751 WeakPolarHBondContact CD2-OD1 3.39Å; W747-N751 WeakPolarHBondContact O-CB 3.23Å; W747-N751 PolarHBondContact O-N 3.36Å; W747-N751 PolarHBondContact O-ND2 3.2Å; W747-N751 PolarHBondContact O-OD1 3.49Å; I748-N751 PolarHBondContact O-N 3.16Å; N751-L755 WeakPolarHBondContact O-CB 3.28Å; N751-L755 VanDerWaalsContact O-CG 3.31Å; N751-L755 WeakPolarHBondContact O-CG 3.24Å; N751-L755 PolarHBondContact O-N 3.11Å |
| 752 | R | 77.1 | Confident | 83.4 | Confident | 59 Ų | 59 | 27.9 Ų | 27.9 | 22% | 0.223 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.1 | -48.6 | 175.8 | -75 | 179.2 | -167.9 | -166.2 | 5.5 | 112.3 | I593 N724 I748 I750 E754 L755 Q756 | I593-R752 HydrophobicContact CD1-CG 4.24Å; N724-R752 PolarHBondContact OD1-NH2 3.34Å; I748-R752 HydrophobicContact CG2-CG 4.3Å; I748-R752 VanDerWaalsContact CG2-NE 3.33Å; I748-R752 WeakPolarHBondContact O-CB 3.42Å; I748-R752 VanDerWaalsContact O-CG 3.28Å; I748-R752 WeakPolarHBondContact O-CG 3.21Å; I748-R752 PolarHBondContact O-N 3.45Å; I750-R752 VanDerWaalsContact C-N 3.28Å; I750-R752 PolarHBondContact O-N 3.23Å; R752-E754 PolarHBondContact O-N 2.84Å; R752-L755 PolarHBondContact O-N 3.43Å; R752-Q756 WeakPolarHBondContact O-CB 3.17Å; R752-Q756 VanDerWaalsContact O-CG 3.28Å; R752-Q756 WeakPolarHBondContact O-CG 3.44Å; R752-Q756 PolarHBondContact O-N 2.93Å |
| 753 | L | 81.4 | Confident | 83.4 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -31.6 | 178.7 | -72.2 | 167.5 | 0 | 0 | 0 | 111.8 | F749 I750 G757 T758 G759 V760 Y767 | F749-L753 WeakPolarHBondContact O-CB 3.29Å; F749-L753 WeakPolarHBondContact O-CG 3.33Å; F749-L753 PolarHBondContact O-N 2.77Å; I750-L753 PolarHBondContact O-N 3.31Å; L753-G757 PolarHBondContact O-N 3.47Å; L753-T758 PolarHBondContact O-N 3.02Å; L753-T758 PolarHBondContact O-OG1 2.72Å; L753-G759 PolarHBondContact O-N 2.82Å; L753-V760 HydrophobicContact CB-CG2 4.22Å; L753-V760 HydrophobicContact CD1-CG1 4.42Å; L753-V760 HydrophobicContact CD1-CG2 3.88Å; L753-Y767 HydrophobicContact CD2-CD1 4.11Å |
| 754 | E | 85.2 | Confident | 83.2 | Confident | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -49 | 172 | -159.1 | 73.2 | -164.9 | 0 | 0 | 111.6 | L589 I666 P667 L668 S669 I750 R752 Q756 G757 G759 | L589-E754 HydrophobicContact CD2-CB 4.06Å; L589-E754 HydrophobicContact CD2-CG 3.85Å; I666-E754 WeakPolarHBondContact CA-OE1 3.45Å; I666-E754 HydrophobicContact CG2-CG 3.95Å; I666-E754 VanDerWaalsContact CG2-OE2 3.24Å; I666-E754 WeakPolarHBondContact CG2-OE2 3.41Å; P667-E754 WeakPolarHBondContact CD-OE1 3.38Å; L668-E754 WeakPolarHBondContact CA-OE1 3.46Å; L668-E754 WeakPolarHBondContact CB-OE1 3.2Å; L668-E754 PolarHBondContact N-OE1 3.19Å; S669-E754 WeakPolarHBondContact CB-OE2 3.4Å; S669-E754 PolarHBondContact N-OE2 2.87Å; S669-E754 VanDerWaalsContact N-OE2 3.08Å; S669-E754 PolarHBondContact OG-OE2 3.2Å; I750-E754 VanDerWaalsContact O-CB 3.31Å; I750-E754 WeakPolarHBondContact O-CB 3.46Å; I750-E754 PolarHBondContact O-N 3.04Å; R752-E754 PolarHBondContact O-N 2.84Å; E754-Q756 VanDerWaalsContact C-N 3.3Å; E754-Q756 PolarHBondContact O-N 2.77Å; E754-G757 PolarHBondContact O-N 3.47Å; E754-G759 WeakPolarHBondContact OE2-CA 3.22Å |
| 755 | L | 76.1 | Confident | 83 | Confident | 43 Ų | 43 | 34.7 Ų | 34.7 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -30.3 | 173.8 | -77.9 | 168.3 | 0 | 0 | 0 | 113.8 | L589 V590 I593 N751 R752 G757 | L589-L755 HydrophobicContact CB-CD2 3.99Å; L589-L755 HydrophobicContact CD2-CD2 3.8Å; L589-L755 HydrophobicContact CD2-CG 3.73Å; L589-L755 HydrophobicContact CG-CD1 4.37Å; L589-L755 HydrophobicContact CG-CD2 3.81Å; L589-L755 HydrophobicContact CG-CG 3.82Å; V590-L755 HydrophobicContact CG2-CD2 3.71Å; I593-L755 HydrophobicContact CD1-CD1 3.81Å; I593-L755 HydrophobicContact CG1-CD1 4.41Å; N751-L755 WeakPolarHBondContact O-CB 3.28Å; N751-L755 VanDerWaalsContact O-CG 3.31Å; N751-L755 WeakPolarHBondContact O-CG 3.24Å; N751-L755 PolarHBondContact O-N 3.11Å; R752-L755 PolarHBondContact O-N 3.43Å; L755-G757 PolarHBondContact O-N 3.48Å |
| 756 | Q | 72 | Confident | 83 | Confident | 68 Ų | 68 | 41 Ų | 41 | 32% | 0.318 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -4 | 172.7 | -73.2 | 172.9 | -11 | 0 | 0 | 112.8 | R752 E754 T758 D769 | R752-Q756 WeakPolarHBondContact O-CB 3.17Å; R752-Q756 VanDerWaalsContact O-CG 3.28Å; R752-Q756 WeakPolarHBondContact O-CG 3.44Å; R752-Q756 PolarHBondContact O-N 2.93Å; E754-Q756 VanDerWaalsContact C-N 3.3Å; E754-Q756 PolarHBondContact O-N 2.77Å; Q756-T758 PolarHBondContact O-N 3.23Å; Q756-D769 PolarHBondContact NE2-OD1 3.23Å |
| 757 | G | 73.9 | Confident | 82.4 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 53% | 0.526 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 14.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L753 E754 L755 | L753-G757 PolarHBondContact O-N 3.47Å; E754-G757 PolarHBondContact O-N 3.47Å; L755-G757 PolarHBondContact O-N 3.48Å |
| 758 | T | 77.4 | Confident | 81.4 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 34% | 0.337 | 25% | 0.25 | S | C | . | . | trans | -101.4 | -31.7 | 176.2 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | L753 Q756 | L753-T758 PolarHBondContact O-N 3.02Å; L753-T758 PolarHBondContact O-OG1 2.72Å; Q756-T758 PolarHBondContact O-N 3.23Å | ||
| 759 | G | 83 | Confident | 80.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | 61.9 | 174 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L753 E754 | L753-G759 PolarHBondContact O-N 2.82Å; E754-G759 WeakPolarHBondContact OE2-CA 3.22Å | ||
| 760 | V | 86.3 | Confident | 78.8 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | trans | -87.7 | 117.1 | 173.8 | -161.5 | 0 | 0 | 0 | 0 | 110.8 | S669 N670 L673 I750 L753 L777 | S669-V760 PolarHBondContact OG-N 3.08Å; N670-V760 PolarHBondContact N-O 3.29Å; L673-V760 HydrophobicContact CD2-CB 4.22Å; L673-V760 HydrophobicContact CD2-CG1 3.51Å; I750-V760 HydrophobicContact CB-CG2 4.04Å; I750-V760 HydrophobicContact CG1-CG2 3.72Å; I750-V760 HydrophobicContact CG2-CG2 4.24Å; L753-V760 HydrophobicContact CB-CG2 4.22Å; L753-V760 HydrophobicContact CD1-CG1 4.42Å; L753-V760 HydrophobicContact CD1-CG2 3.88Å; V760-L777 HydrophobicContact CG1-CD1 3.72Å; V760-L777 HydrophobicContact CG2-CD1 4.01Å | ||
| 761 | Q | 87.4 | Confident | 77 | Confident | 96 Ų | 96 | 62.7 Ų | 62.7 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | trans | -116.2 | 158.8 | 172.7 | -57.1 | -175.5 | 10 | 0 | 0 | 109.7 | S763 N764 I765 | Q761-S763 WeakPolarHBondContact CB-OG 3.36Å; Q761-S763 PolarHBondContact O-N 2.82Å; Q761-N764 PolarHBondContact O-N 2.92Å; Q761-I765 PolarHBondContact O-N 2.89Å | ||
| 762 | W | 86.3 | Confident | 75.6 | Confident | 131 Ų | 131 | 67.3 Ų | 67.3 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -59.7 | -32 | 179.4 | -70.6 | 97.8 | 0 | 0 | 0 | 113.3 | I672 L673 F676 I765 | I672-W762 HydrophobicContact CG2-CZ2 4.49Å; L673-W762 HydrophobicContact CB-CZ2 4.13Å; L673-W762 HydrophobicContact CD1-CD2 4.25Å; L673-W762 HydrophobicContact CD1-CE3 4.12Å; L673-W762 HydrophobicContact CD1-CH2 3.73Å; L673-W762 HydrophobicContact CD1-CZ2 3.87Å; L673-W762 HydrophobicContact CD1-CZ3 3.86Å; F676-W762 HydrophobicContact CD1-CH2 4.26Å; W762-I765 HydrophobicContact CD2-CD1 4.19Å; W762-I765 HydrophobicContact CE3-CD1 3.49Å; W762-I765 VanDerWaalsContact CE3-CD1 3.49Å; W762-I765 HydrophobicContact CZ3-CD1 4.04Å |
| 763 | S | 88 | Confident | 74.8 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -59.6 | -41.3 | 169.9 | 40.1 | 0 | 0 | 0 | 0 | 113.4 | Q761 | Q761-S763 WeakPolarHBondContact CB-OG 3.36Å; Q761-S763 PolarHBondContact O-N 2.82Å |
| 764 | N | 86.1 | Confident | 74 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 24% | 0.235 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -92.3 | 1.6 | -168.4 | -64.8 | 3.8 | 0 | 0 | 0 | 113.6 | Q761 W766 Y767 | Q761-N764 PolarHBondContact O-N 2.92Å; N764-W766 PolarHBondContact O-N 3.49Å; N764-W766 VanDerWaalsContact O-N 3.15Å; N764-Y767 WeakPolarHBondContact O-CB 3.2Å; N764-Y767 PolarHBondContact O-N 3.45Å |
| 765 | I | 84 | Confident | 73.4 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.077 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -54.6 | -35.7 | -179.1 | -70.4 | 175.6 | 0 | 0 | 0 | 112.5 | L673 Q761 W762 L777 G778 | L673-I765 HydrophobicContact CD1-CD1 3.87Å; L673-I765 HydrophobicContact CD2-CD1 4.03Å; L673-I765 HydrophobicContact CD2-CG1 4.06Å; Q761-I765 PolarHBondContact O-N 2.89Å; W762-I765 HydrophobicContact CD2-CD1 4.19Å; W762-I765 HydrophobicContact CE3-CD1 3.49Å; W762-I765 VanDerWaalsContact CE3-CD1 3.49Å; W762-I765 HydrophobicContact CZ3-CD1 4.04Å; I765-L777 HydrophobicContact CG1-CD2 4.32Å; I765-L777 HydrophobicContact CG2-CD2 4.07Å; I765-G778 PolarHBondContact O-N 3.06Å |
| 766 | W | 83.9 | Confident | 73.5 | Confident | 156 Ų | 156 | 66.7 Ų | 66.7 | 59% | 0.591 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -96 | 6 | -177.7 | -56.7 | 98.8 | 0 | 0 | 0 | 113.9 | N764 T779 I782 | N764-W766 PolarHBondContact O-N 3.49Å; N764-W766 VanDerWaalsContact O-N 3.15Å; W766-T779 HydrophobicContact CZ3-CG2 4.44Å; W766-I782 HydrophobicContact CH2-CD1 3.77Å; W766-I782 HydrophobicContact CZ3-CD1 4.03Å |
| 767 | Y | 75.6 | Confident | 74.2 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | trans | -60.6 | 142.1 | 177.2 | -174.3 | -98.5 | 0 | 0 | 0 | 111.2 | L753 N764 S776 | L753-Y767 HydrophobicContact CD2-CD1 4.11Å; N764-Y767 WeakPolarHBondContact O-CB 3.2Å; N764-Y767 PolarHBondContact O-N 3.45Å; Y767-S776 WeakPolarHBondContact O-CB 3.12Å | ||
| 768 | R | 68.5 | Low | 74.8 | Confident | 116 Ų | 116 | 61.3 Ų | 61.3 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | trans | -137.9 | 125.4 | -179.9 | -73.8 | -176.3 | -79.6 | 158.8 | 0 | 109.5 | N770 L771 S773 | R768-N770 PolarHBondContact O-N 3.45Å; R768-L771 PolarHBondContact NH1-O 2.86Å; R768-S773 WeakPolarHBondContact CD-O 3.4Å; R768-S773 PolarHBondContact NH1-O 2.93Å | ||
| 769 | D | 56.1 | Low | 75.2 | Confident | 50 Ų | 50 | 60 Ų | 60 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -62.7 | -30 | 176.3 | -71.5 | -55.5 | 0 | 0 | 0 | 112.3 | Q756 K1439 | Q756-D769 PolarHBondContact NE2-OD1 3.23Å; D769-K1439 PolarHBondContact O-NZ 3.33Å |
| 770 | N | 56.5 | Low | 75.4 | Confident | 50 Ų | 50 | 60 Ų | 60 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -124.3 | 131.1 | 179.7 | -75.3 | -29.6 | 0 | 0 | 0 | 110.7 | R768 N772 S773 H1318 | R768-N770 PolarHBondContact O-N 3.45Å; N770-N772 PolarHBondContact O-N 3.4Å; N770-S773 PolarHBondContact O-N 3.34Å; N770-S773 VanDerWaalsContact O-N 3.14Å; N770-S773 PolarHBondContact O-OG 2.95Å; N770-S773 VanDerWaalsContact O-OG 3.05Å; N770-H1318 PolarHBondContact ND2-CD2 3.29Å; N770-H1318 VanDerWaalsContact ND2-CD2 3.33Å; N770-H1318 PolarHBondContact ND2-CE1 2.92Å; N770-H1318 PolarHBondContact ND2-NE2 3.01Å; N770-H1318 VanDerWaalsContact ND2-NE2 3.11Å; N770-H1318 PolarHBondContact OD1-CD2 3.02Å |
| 771 | L | 50 | Low | 75.5 | Confident | 158 Ų | 158 | 60.9 Ų | 60.9 | 83% | 0.827 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.9 | 175.4 | -69.7 | 170.4 | 0 | 0 | 0 | 113 | R768 | R768-L771 PolarHBondContact NH1-O 2.86Š|
| 772 | N | 52 | Low | 75.7 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -13.9 | 177.5 | -66 | 2.5 | 0 | 0 | 0 | 113.7 | N770 | N770-N772 PolarHBondContact O-N 3.4Š|
| 773 | S | 60.4 | Low | 75.8 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 12% | 0.119 | 27% | 0.274 | C | S | . | . | trans | -76.7 | 135.4 | 179.7 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | D729 R768 N770 L775 | D729-S773 WeakPolarHBondContact OD2-CA 3.5Å; D729-S773 WeakPolarHBondContact OD2-CB 3.47Å; R768-S773 WeakPolarHBondContact CD-O 3.4Å; R768-S773 PolarHBondContact NH1-O 2.93Å; N770-S773 PolarHBondContact O-N 3.34Å; N770-S773 VanDerWaalsContact O-N 3.14Å; N770-S773 PolarHBondContact O-OG 2.95Å; N770-S773 VanDerWaalsContact O-OG 3.05Å; S773-L775 VanDerWaalsContact C-N 3.34Å; S773-L775 PolarHBondContact OG-O 3.2Å | ||
| 774 | I | 66.2 | Low | 76 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | trans | -78.9 | -29.5 | 170.6 | -54.6 | 174.1 | 0 | 0 | 0 | 108.6 | D729 L733 T779 | D729-I774 HydrophobicContact CB-CB 4.14Å; D729-I774 HydrophobicContact CB-CD1 4.03Å; D729-I774 HydrophobicContact CB-CG1 4.05Å; D729-I774 PolarHBondContact OD2-N 3Å; L733-I774 HydrophobicContact CD2-CG2 4.4Å; I774-T779 VanDerWaalsContact O-CG2 3.27Å; I774-T779 WeakPolarHBondContact O-CG2 3.32Å; I774-T779 PolarHBondContact O-OG1 3.47Å | ||
| 775 | L | 70.6 | Confident | 76.2 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | trans | -77.6 | 126.8 | -177.1 | -128.4 | 69.1 | 0 | 0 | 0 | 113.1 | D729 L745 F749 S773 T779 F783 | D729-L775 PolarHBondContact OD2-N 2.98Å; D729-L775 VanDerWaalsContact OD2-N 3.08Å; L745-L775 HydrophobicContact CD1-CD2 4.1Å; L745-L775 HydrophobicContact CD2-CD2 4.01Å; F749-L775 HydrophobicContact CE2-CD2 4.35Å; F749-L775 HydrophobicContact CE2-CG 4.29Å; F749-L775 HydrophobicContact CZ-CB 4.15Å; F749-L775 HydrophobicContact CZ-CD2 4.2Å; F749-L775 HydrophobicContact CZ-CG 4.18Å; S773-L775 VanDerWaalsContact C-N 3.34Å; S773-L775 PolarHBondContact OG-O 3.2Å; L775-T779 WeakPolarHBondContact CA-OG1 3.24Å; L775-F783 HydrophobicContact CD1-CE2 4.25Å | ||
| 776 | S | 79.9 | Confident | 76.6 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | trans | -145.7 | 172.7 | 167.1 | 74.7 | 0 | 0 | 0 | 0 | 109.8 | Y767 G778 T779 S780 | Y767-S776 WeakPolarHBondContact O-CB 3.12Å; S776-G778 VanDerWaalsContact C-N 3.3Å; S776-G778 PolarHBondContact O-N 2.9Å; S776-G778 PolarHBondContact OG-N 2.92Å; S776-T779 PolarHBondContact N-OG1 2.87Å; S776-T779 PolarHBondContact O-N 3.41Å; S776-T779 PolarHBondContact O-OG1 3.14Å; S776-T779 PolarHBondContact OG-N 2.88Å; S776-T779 VanDerWaalsContact OG-N 3.13Å; S776-S780 PolarHBondContact O-N 2.97Å; S776-S780 PolarHBondContact O-OG 3.1Å | ||
| 777 | L | 85.5 | Confident | 76.8 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.6 | -44.6 | 173.9 | -169.8 | 149.9 | 0 | 0 | 0 | 110.7 | I746 F749 I750 V760 I765 T779 S780 L781 | I746-L777 HydrophobicContact CG2-CD1 4.45Å; I746-L777 HydrophobicContact CG2-CG 4.35Å; F749-L777 HydrophobicContact CB-CB 3.91Å; F749-L777 HydrophobicContact CB-CD1 3.92Å; F749-L777 HydrophobicContact CB-CG 4.26Å; F749-L777 HydrophobicContact CD2-CB 4.36Å; F749-L777 HydrophobicContact CG-CB 4.27Å; I750-L777 HydrophobicContact CG1-CD1 4.08Å; V760-L777 HydrophobicContact CG1-CD1 3.72Å; V760-L777 HydrophobicContact CG2-CD1 4.01Å; I765-L777 HydrophobicContact CG1-CD2 4.32Å; I765-L777 HydrophobicContact CG2-CD2 4.07Å; L777-T779 PolarHBondContact O-N 3.26Å; L777-S780 WeakPolarHBondContact CA-OG 3.42Å; L777-S780 PolarHBondContact O-N 3.05Å; L777-S780 PolarHBondContact O-OG 3.18Å; L777-L781 HydrophobicContact CD2-CD1 3.89Å; L777-L781 PolarHBondContact O-N 2.97Å |
| 778 | G | 87.3 | Confident | 77.5 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | I765 S776 L781 I782 | I765-G778 PolarHBondContact O-N 3.06Å; S776-G778 VanDerWaalsContact C-N 3.3Å; S776-G778 PolarHBondContact O-N 2.9Å; S776-G778 PolarHBondContact OG-N 2.92Å; G778-L781 PolarHBondContact O-N 3.05Å; G778-I782 PolarHBondContact O-N 2.82Å; G778-I782 VanDerWaalsContact O-N 3.13Å |
| 779 | T | 85.4 | Confident | 78.5 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.3 | -32.8 | 177.2 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | W766 I774 L775 S776 L777 L781 I782 F783 | W766-T779 HydrophobicContact CZ3-CG2 4.44Å; I774-T779 VanDerWaalsContact O-CG2 3.27Å; I774-T779 WeakPolarHBondContact O-CG2 3.32Å; I774-T779 PolarHBondContact O-OG1 3.47Å; L775-T779 WeakPolarHBondContact CA-OG1 3.24Å; S776-T779 PolarHBondContact N-OG1 2.87Å; S776-T779 PolarHBondContact O-N 3.41Å; S776-T779 PolarHBondContact O-OG1 3.14Å; S776-T779 PolarHBondContact OG-N 2.88Å; S776-T779 VanDerWaalsContact OG-N 3.13Å; L777-T779 PolarHBondContact O-N 3.26Å; T779-L781 VanDerWaalsContact C-N 3.31Å; T779-L781 PolarHBondContact O-N 3.23Å; T779-I782 CarbonylContact O-C 3.57Å; T779-I782 WeakPolarHBondContact O-CA 3.18Å; T779-I782 WeakPolarHBondContact O-CB 3.44Å; T779-I782 PolarHBondContact O-N 3.45Å; T779-I782 VanDerWaalsContact O-N 3.09Å; T779-F783 WeakPolarHBondContact O-CD2 3.37Å; T779-F783 PolarHBondContact O-N 3.18Å |
| 780 | S | 87.3 | Confident | 80 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -31 | 173.6 | 64 | 0 | 0 | 0 | 0 | 113.2 | I746 S776 L777 L784 | I746-S780 WeakPolarHBondContact CG1-OG 3.23Å; S776-S780 PolarHBondContact O-N 2.97Å; S776-S780 PolarHBondContact O-OG 3.1Å; L777-S780 WeakPolarHBondContact CA-OG 3.42Å; L777-S780 PolarHBondContact O-N 3.05Å; L777-S780 PolarHBondContact O-OG 3.18Å; S780-L784 WeakPolarHBondContact O-CB 3.44Å; S780-L784 PolarHBondContact O-N 2.99Å |
| 781 | L | 88.8 | Confident | 81.4 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 167.3 | -80.8 | 167.8 | 0 | 0 | 0 | 112.8 | I677 I746 L777 G778 T779 L784 W785 | I677-L781 HydrophobicContact CG1-CD1 4.45Å; I677-L781 HydrophobicContact CG1-CD2 4.28Å; I746-L781 HydrophobicContact CD1-CD2 3.68Å; I746-L781 HydrophobicContact CD1-CG 3.88Å; I746-L781 HydrophobicContact CG1-CG 4.45Å; L777-L781 HydrophobicContact CD2-CD1 3.89Å; L777-L781 PolarHBondContact O-N 2.97Å; G778-L781 PolarHBondContact O-N 3.05Å; T779-L781 VanDerWaalsContact C-N 3.31Å; T779-L781 PolarHBondContact O-N 3.23Å; L781-L784 PolarHBondContact O-N 2.7Å; L781-W785 PolarHBondContact O-N 2.72Å; L781-W785 VanDerWaalsContact O-N 3.13Å |
| 782 | I | 90.4 | Very high | 83.1 | Confident | 81 Ų | 81 | 38.9 Ų | 38.9 | 42% | 0.415 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 172.2 | -68.3 | 169.8 | 0 | 0 | 0 | 110.5 | W766 G778 T779 L784 W785 I786 | W766-I782 HydrophobicContact CH2-CD1 3.77Å; W766-I782 HydrophobicContact CZ3-CD1 4.03Å; G778-I782 PolarHBondContact O-N 2.82Å; G778-I782 VanDerWaalsContact O-N 3.13Å; T779-I782 CarbonylContact O-C 3.57Å; T779-I782 WeakPolarHBondContact O-CA 3.18Å; T779-I782 WeakPolarHBondContact O-CB 3.44Å; T779-I782 PolarHBondContact O-N 3.45Å; T779-I782 VanDerWaalsContact O-N 3.09Å; I782-L784 VanDerWaalsContact C-N 3.31Å; I782-L784 PolarHBondContact O-N 3.4Å; I782-W785 CarbonylContact O-C 3.58Å; I782-W785 PolarHBondContact O-N 3.13Å; I782-W785 VanDerWaalsContact O-N 3.1Å; I782-I786 HydrophobicContact CG2-CD1 3.7Å; I782-I786 HydrophobicContact CG2-CG1 4.19Å; I782-I786 WeakPolarHBondContact O-CG1 3.45Å; I782-I786 PolarHBondContact O-N 2.65Å |
| 783 | F | 90 | Very high | 84.7 | Confident | 30 Ų | 30 | 39.1 Ų | 39.1 | 13% | 0.132 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | 178.7 | -72.5 | -59.1 | 0 | 0 | 0 | 112.5 | L733 C736 L775 T779 W785 I786 G787 | L733-F783 HydrophobicContact CD2-CE1 4.04Å; L733-F783 HydrophobicContact CD2-CE2 4.15Å; L733-F783 HydrophobicContact CD2-CZ 3.45Å; L733-F783 VanDerWaalsContact CD2-CZ 3.45Å; C736-F783 HydrophobicContact CB-CB 4.26Å; C736-F783 HydrophobicContact CB-CD1 4.33Å; C736-F783 HydrophobicContact CB-CD2 4.14Å; C736-F783 HydrophobicContact CB-CG 3.99Å; L775-F783 HydrophobicContact CD1-CE2 4.25Å; T779-F783 WeakPolarHBondContact O-CD2 3.37Å; T779-F783 PolarHBondContact O-N 3.18Å; F783-W785 VanDerWaalsContact C-N 3.34Å; F783-W785 PolarHBondContact O-N 3.17Å; F783-I786 HydrophobicContact CD1-CD1 4.24Å; F783-I786 PolarHBondContact O-N 2.93Å; F783-G787 PolarHBondContact O-N 3.22Å |
| 784 | L | 90.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 170.8 | -172.9 | 150.3 | 0 | 0 | 0 | 111.1 | N680 Y681 S742 I746 S780 L781 I782 G787 T788 | N680-L784 HydrophobicContact CB-CD2 4.03Å; Y681-L784 HydrophobicContact CD2-CD1 4.28Å; S742-L784 VanDerWaalsContact OG-CA 3.31Å; S742-L784 WeakPolarHBondContact OG-CA 3.29Å; S742-L784 VanDerWaalsContact OG-CB 3.3Å; S742-L784 WeakPolarHBondContact OG-CB 3.41Å; I746-L784 HydrophobicContact CD1-CD1 3.98Å; S780-L784 WeakPolarHBondContact O-CB 3.44Å; S780-L784 PolarHBondContact O-N 2.99Å; L781-L784 PolarHBondContact O-N 2.7Å; I782-L784 VanDerWaalsContact C-N 3.31Å; I782-L784 PolarHBondContact O-N 3.4Å; L784-G787 PolarHBondContact O-N 3.44Å; L784-T788 HydrophobicContact CD2-CG2 4.12Å; L784-T788 WeakPolarHBondContact O-CG2 3.19Å; L784-T788 PolarHBondContact O-N 2.96Å |
| 785 | W | 91.4 | Very high | 86.4 | Confident | 116 Ų | 116 | 38.2 Ų | 38.2 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.1 | -36.6 | 176.3 | -87.4 | 90.3 | 0 | 0 | 0 | 114.1 | N680 L781 I782 F783 G787 T788 I789 | N680-W785 WeakPolarHBondContact OD1-CZ2 3.22Å; N680-W785 PolarHBondContact OD1-NE1 3.02Å; L781-W785 PolarHBondContact O-N 2.72Å; L781-W785 VanDerWaalsContact O-N 3.13Å; I782-W785 CarbonylContact O-C 3.58Å; I782-W785 PolarHBondContact O-N 3.13Å; I782-W785 VanDerWaalsContact O-N 3.1Å; F783-W785 VanDerWaalsContact C-N 3.34Å; F783-W785 PolarHBondContact O-N 3.17Å; W785-G787 VanDerWaalsContact C-N 3.27Å; W785-G787 PolarHBondContact O-N 3.44Å; W785-T788 PolarHBondContact O-N 2.77Å; W785-T788 PolarHBondContact O-OG1 2.89Å; W785-I789 WeakPolarHBondContact O-CB 3.32Å; W785-I789 WeakPolarHBondContact O-CD1 3.27Å; W785-I789 WeakPolarHBondContact O-CG1 3.35Å; W785-I789 PolarHBondContact O-N 3.41Å |
| 786 | I | 91.2 | Very high | 87 | Confident | 73 Ų | 73 | 41.8 Ų | 41.8 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 170.7 | -68.7 | 170.8 | 0 | 0 | 0 | 109.6 | I782 F783 I789 L790 | I782-I786 HydrophobicContact CG2-CD1 3.7Å; I782-I786 HydrophobicContact CG2-CG1 4.19Å; I782-I786 WeakPolarHBondContact O-CG1 3.45Å; I782-I786 PolarHBondContact O-N 2.65Å; F783-I786 HydrophobicContact CD1-CD1 4.24Å; F783-I786 PolarHBondContact O-N 2.93Å; I786-I789 PolarHBondContact O-N 2.9Å; I786-L790 VanDerWaalsContact O-CB 3.28Å; I786-L790 WeakPolarHBondContact O-CB 3.42Å; I786-L790 PolarHBondContact O-N 3.45Å |
| 787 | G | 89.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I737 F783 L784 W785 I789 L790 L791 | I737-G787 VanDerWaalsContact O-CA 3.26Å; I737-G787 WeakPolarHBondContact O-CA 3.3Å; F783-G787 PolarHBondContact O-N 3.22Å; L784-G787 PolarHBondContact O-N 3.44Å; W785-G787 VanDerWaalsContact C-N 3.27Å; W785-G787 PolarHBondContact O-N 3.44Å; G787-I789 PolarHBondContact O-N 3.46Å; G787-L790 PolarHBondContact O-N 3.24Å; G787-L791 WeakPolarHBondContact O-CB 3.41Å; G787-L791 PolarHBondContact O-N 3.36Å |
| 788 | T | 89.6 | Confident | 86.5 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 176.8 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | S684 L784 W785 C792 | S684-T788 VanDerWaalsContact CB-CG2 3.47Å; L784-T788 HydrophobicContact CD2-CG2 4.12Å; L784-T788 WeakPolarHBondContact O-CG2 3.19Å; L784-T788 PolarHBondContact O-N 2.96Å; W785-T788 PolarHBondContact O-N 2.77Å; W785-T788 PolarHBondContact O-OG1 2.89Å; T788-C792 WeakPolarHBondContact O-CB 3.42Å; T788-C792 PolarHBondContact O-N 2.61Å |
| 789 | I | 90 | Very high | 85.7 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 176.9 | -69.3 | 165.3 | 0 | 0 | 0 | 110.7 | W785 I786 G787 L791 C792 I793 | W785-I789 WeakPolarHBondContact O-CB 3.32Å; W785-I789 WeakPolarHBondContact O-CD1 3.27Å; W785-I789 WeakPolarHBondContact O-CG1 3.35Å; W785-I789 PolarHBondContact O-N 3.41Å; I786-I789 PolarHBondContact O-N 2.9Å; G787-I789 PolarHBondContact O-N 3.46Å; I789-L791 VanDerWaalsContact C-N 3.34Å; I789-L791 PolarHBondContact O-N 3.45Å; I789-C792 WeakPolarHBondContact O-CB 3.26Å; I789-C792 PolarHBondContact O-N 2.88Å; I789-I793 HydrophobicContact CG2-CD1 3.96Å; I789-I793 WeakPolarHBondContact O-CG1 3.27Å; I789-I793 PolarHBondContact O-N 3.15Å |
| 790 | L | 86.8 | Confident | 85 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 44% | 0.44 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.7 | -175.5 | 146.9 | 0 | 0 | 0 | 111.3 | I737 I786 G787 C792 I793 L794 | I737-L790 HydrophobicContact CG2-CD1 4.04Å; I786-L790 VanDerWaalsContact O-CB 3.28Å; I786-L790 WeakPolarHBondContact O-CB 3.42Å; I786-L790 PolarHBondContact O-N 3.45Å; G787-L790 PolarHBondContact O-N 3.24Å; L790-C792 VanDerWaalsContact C-N 3.33Å; L790-C792 PolarHBondContact O-N 2.97Å; L790-I793 PolarHBondContact O-N 2.98Å; L790-L794 VanDerWaalsContact O-CB 3.24Å; L790-L794 WeakPolarHBondContact O-CB 3.26Å; L790-L794 PolarHBondContact O-N 3.26Å |
| 791 | L | 85.4 | Confident | 84.4 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 174.3 | -168.8 | 69.1 | 0 | 0 | 0 | 111.7 | I687 L691 G787 I789 L794 T795 | I687-L791 HydrophobicContact CB-CD2 4.16Å; I687-L791 HydrophobicContact CG2-CB 4.27Å; I687-L791 HydrophobicContact CG2-CD2 3.92Å; I687-L791 HydrophobicContact CG2-CG 3.91Å; L691-L791 HydrophobicContact CD1-CD1 3.76Å; G787-L791 WeakPolarHBondContact O-CB 3.41Å; G787-L791 PolarHBondContact O-N 3.36Å; I789-L791 VanDerWaalsContact C-N 3.34Å; I789-L791 PolarHBondContact O-N 3.45Å; L791-L794 PolarHBondContact O-N 3.4Å; L791-T795 WeakPolarHBondContact O-CG2 3.47Å; L791-T795 PolarHBondContact O-N 3.48Å; L791-T795 PolarHBondContact O-OG1 2.97Å |
| 792 | C | 85.9 | Confident | 83.5 | Confident | 47 Ų | 47 | 65.1 Ų | 65.1 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 174.2 | -171.3 | 0 | 0 | 0 | 0 | 112 | I687 T788 I789 L790 L794 T795 F796 | I687-C792 HydrophobicContact CG2-CB 4.36Å; T788-C792 WeakPolarHBondContact O-CB 3.42Å; T788-C792 PolarHBondContact O-N 2.61Å; I789-C792 WeakPolarHBondContact O-CB 3.26Å; I789-C792 PolarHBondContact O-N 2.88Å; L790-C792 VanDerWaalsContact C-N 3.33Å; L790-C792 PolarHBondContact O-N 2.97Å; C792-L794 VanDerWaalsContact C-N 3.28Å; C792-L794 PolarHBondContact O-N 2.93Å; C792-T795 PolarHBondContact O-N 3.19Å; C792-T795 PolarHBondContact O-OG1 2.98Å; C792-F796 WeakPolarHBondContact O-CD2 3.17Å; C792-F796 PolarHBondContact O-N 3.27Å; C792-F796 VanDerWaalsContact SG-CD2 3.54Å |
| 793 | I | 86.9 | Confident | 82.4 | Confident | 102 Ų | 102 | 63.9 Ų | 63.9 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 172.1 | -67.9 | 163.7 | 0 | 0 | 0 | 110 | I789 L790 W797 G798 | I789-I793 HydrophobicContact CG2-CD1 3.96Å; I789-I793 WeakPolarHBondContact O-CG1 3.27Å; I789-I793 PolarHBondContact O-N 3.15Å; L790-I793 PolarHBondContact O-N 2.98Å; I793-W797 WeakPolarHBondContact O-CA 3.19Å; I793-W797 WeakPolarHBondContact O-CB 3.35Å; I793-W797 PolarHBondContact O-N 3.37Å; I793-G798 PolarHBondContact O-N 3.44Å |
| 794 | L | 83.4 | Confident | 81.1 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -69.6 | -31 | -179 | -170.6 | 144.7 | 0 | 0 | 0 | 112.9 | L691 L790 L791 C792 G798 I799 | L691-L794 HydrophobicContact CD1-CD2 3.56Å; L691-L794 HydrophobicContact CG-CD2 4.36Å; L790-L794 VanDerWaalsContact O-CB 3.24Å; L790-L794 WeakPolarHBondContact O-CB 3.26Å; L790-L794 PolarHBondContact O-N 3.26Å; L791-L794 PolarHBondContact O-N 3.4Å; C792-L794 VanDerWaalsContact C-N 3.28Å; C792-L794 PolarHBondContact O-N 2.93Å; L794-G798 PolarHBondContact O-N 2.87Å; L794-I799 HydrophobicContact CD2-CD1 3.52Å; L794-I799 HydrophobicContact CD2-CG1 3.84Å; L794-I799 HydrophobicContact CG-CG1 4.44Å; L794-I799 WeakPolarHBondContact O-CB 3.15Å; L794-I799 WeakPolarHBondContact O-CG1 3.29Å; L794-I799 PolarHBondContact O-N 2.82Å |
| 795 | T | 79.3 | Confident | 80 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -81 | -46.9 | 174.1 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | L691 L694 L791 C792 P800 | L691-T795 HydrophobicContact CB-CG2 3.63Å; L691-T795 HydrophobicContact CD1-CG2 4.26Å; L691-T795 HydrophobicContact CG-CG2 4.09Å; L694-T795 VanDerWaalsContact CD1-O 3.23Å; L694-T795 WeakPolarHBondContact CD1-O 3.42Å; L791-T795 WeakPolarHBondContact O-CG2 3.47Å; L791-T795 PolarHBondContact O-N 3.48Å; L791-T795 PolarHBondContact O-OG1 2.97Å; C792-T795 PolarHBondContact O-N 3.19Å; C792-T795 PolarHBondContact O-OG1 2.98Å; T795-P800 WeakPolarHBondContact O-CD 3.31Å; T795-P800 WeakPolarHBondContact O-CG 3.17Å |
| 796 | F | 82.3 | Confident | 78.7 | Confident | 96 Ų | 96 | 76 Ų | 76 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -82 | -28.7 | -175.3 | -72 | -77 | 0 | 0 | 0 | 114.2 | W638 C792 | W638-F796 HydrophobicContact CE3-CE1 4.19Å; W638-F796 HydrophobicContact CZ3-CD1 4.38Å; W638-F796 AromaticContact CZ3-CE1 3.82Å; W638-F796 HydrophobicContact CZ3-CE1 3.82Å; C792-F796 WeakPolarHBondContact O-CD2 3.17Å; C792-F796 PolarHBondContact O-N 3.27Å; C792-F796 VanDerWaalsContact SG-CD2 3.54Å |
| 797 | W | 80.9 | Confident | 77 | Confident | 204 Ų | 204 | 77.3 Ų | 77.3 | 77% | 0.773 | 37% | 0.366 | S | S | * | . | I | π-helix | trans | -119.4 | -51.5 | -178.9 | -70.5 | 70.8 | 0 | 0 | 0 | 112.7 | I793 F801 | I793-W797 WeakPolarHBondContact O-CA 3.19Å; I793-W797 WeakPolarHBondContact O-CB 3.35Å; I793-W797 PolarHBondContact O-N 3.37Å; W797-F801 WeakPolarHBondContact O-CB 3.46Å; W797-F801 PolarHBondContact O-N 2.87Å |
| 798 | G | 74.2 | Confident | 75.5 | Confident | 21 Ų | 21 | 81.6 Ų | 81.6 | 22% | 0.216 | 39% | 0.388 | C | S | . | . | I | π-helix | trans | -60.2 | -62 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I793 L794 F801 I802 | I793-G798 PolarHBondContact O-N 3.44Å; L794-G798 PolarHBondContact O-N 2.87Å; G798-F801 WeakPolarHBondContact O-CB 3.3Å; G798-F801 PolarHBondContact O-N 3.08Å; G798-I802 WeakPolarHBondContact O-CB 3.3Å; G798-I802 VanDerWaalsContact O-CG1 3.27Å; G798-I802 WeakPolarHBondContact O-CG1 3.4Å; G798-I802 PolarHBondContact O-N 2.71Å |
| 799 | I | 69.9 | Low | 73.7 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 12% | 0.118 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 179.9 | -72.2 | 170.6 | 0 | 0 | 0 | 112.2 | L691 L694 L794 F801 I802 I803 | L691-I799 HydrophobicContact CD1-CD1 4.12Å; L691-I799 HydrophobicContact CD2-CD1 3.91Å; L691-I799 HydrophobicContact CG-CD1 3.59Å; L694-I799 HydrophobicContact CB-CG2 3.72Å; L694-I799 HydrophobicContact CD1-CB 3.79Å; L694-I799 HydrophobicContact CD1-CD1 4.24Å; L694-I799 HydrophobicContact CD1-CG2 3.64Å; L694-I799 HydrophobicContact CG-CG2 4.31Å; L794-I799 HydrophobicContact CD2-CD1 3.52Å; L794-I799 HydrophobicContact CD2-CG1 3.84Å; L794-I799 HydrophobicContact CG-CG1 4.44Å; L794-I799 WeakPolarHBondContact O-CB 3.15Å; L794-I799 WeakPolarHBondContact O-CG1 3.29Å; L794-I799 PolarHBondContact O-N 2.82Å; I799-F801 VanDerWaalsContact C-N 3.29Å; I799-F801 PolarHBondContact O-N 2.77Å; I799-I802 PolarHBondContact O-N 2.86Å; I799-I803 HydrophobicContact CG2-CD1 3.52Å; I799-I803 HydrophobicContact CG2-CG1 4.02Å; I799-I803 WeakPolarHBondContact O-CB 3.17Å; I799-I803 WeakPolarHBondContact O-CG1 3.31Å; I799-I803 PolarHBondContact O-N 3.32Å |
| 800 | P | 71.5 | Confident | 71.9 | Confident | 52 Ų | 52 | 82.7 Ų | 82.7 | 34% | 0.338 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.6 | -39.2 | 172.8 | -28.9 | 38.1 | 0 | 0 | 0 | 113 | T795 K804 | T795-P800 WeakPolarHBondContact O-CD 3.31Å; T795-P800 WeakPolarHBondContact O-CG 3.17Å; P800-K804 WeakPolarHBondContact O-CB 3.49Å; P800-K804 PolarHBondContact O-N 3.08Å |
| 801 | F | 74.9 | Confident | 70.2 | Confident | 143 Ų | 143 | 82.6 Ų | 82.6 | 63% | 0.627 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.3 | -46.2 | 172.8 | -176.3 | -91.4 | 0 | 0 | 0 | 111.9 | W797 G798 I799 I803 K804 Y805 | W797-F801 WeakPolarHBondContact O-CB 3.46Å; W797-F801 PolarHBondContact O-N 2.87Å; G798-F801 WeakPolarHBondContact O-CB 3.3Å; G798-F801 PolarHBondContact O-N 3.08Å; I799-F801 VanDerWaalsContact C-N 3.29Å; I799-F801 PolarHBondContact O-N 2.77Å; F801-I803 PolarHBondContact O-N 3.03Å; F801-K804 PolarHBondContact O-N 3.49Å; F801-Y805 VanDerWaalsContact O-CB 3.26Å; F801-Y805 WeakPolarHBondContact O-CB 3.4Å; F801-Y805 PolarHBondContact O-N 3.42Å |
| 802 | I | 70.1 | Confident | 68.3 | Low | 104 Ų | 104 | 88.5 Ų | 88.5 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.7 | -68.6 | 163.2 | 0 | 0 | 0 | 111.3 | G798 I799 Y805 Y806 | G798-I802 WeakPolarHBondContact O-CB 3.3Å; G798-I802 VanDerWaalsContact O-CG1 3.27Å; G798-I802 WeakPolarHBondContact O-CG1 3.4Å; G798-I802 PolarHBondContact O-N 2.71Å; I799-I802 PolarHBondContact O-N 2.86Å; I802-Y805 PolarHBondContact O-N 2.93Å; I802-Y806 WeakPolarHBondContact O-CA 3.39Å; I802-Y806 WeakPolarHBondContact O-CB 3.48Å; I802-Y806 PolarHBondContact O-N 3.2Å |
| 803 | I | 65.7 | Low | 66.4 | Low | 55 Ų | 55 | 90.2 Ų | 90.2 | 28% | 0.282 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 176.7 | -70.9 | 174.8 | 0 | 0 | 0 | 110.5 | L694 I799 F801 H807 | L694-I803 HydrophobicContact CB-CD1 4.5Å; I799-I803 HydrophobicContact CG2-CD1 3.52Å; I799-I803 HydrophobicContact CG2-CG1 4.02Å; I799-I803 WeakPolarHBondContact O-CB 3.17Å; I799-I803 WeakPolarHBondContact O-CG1 3.31Å; I799-I803 PolarHBondContact O-N 3.32Å; F801-I803 PolarHBondContact O-N 3.03Å; I803-H807 WeakPolarHBondContact O-CB 3.49Å; I803-H807 PolarHBondContact O-CD2 3.41Å; I803-H807 PolarHBondContact O-N 3.18Å |
| 804 | K | 63.7 | Low | 64.5 | Low | 145 Ų | 145 | 90.5 Ų | 90.5 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.6 | -46 | 174 | -174.3 | 179.2 | -178.9 | -177.6 | 0 | 111 | P800 F801 H807 I808 | P800-K804 WeakPolarHBondContact O-CB 3.49Å; P800-K804 PolarHBondContact O-N 3.08Å; F801-K804 PolarHBondContact O-N 3.49Å; K804-H807 PolarHBondContact O-N 3.22Å; K804-I808 HydrophobicContact CG-CD1 4.13Å; K804-I808 WeakPolarHBondContact O-CB 3.39Å; K804-I808 WeakPolarHBondContact O-CD1 3.43Å; K804-I808 VanDerWaalsContact O-CG1 3.24Å; K804-I808 WeakPolarHBondContact O-CG1 2.98Å; K804-I808 PolarHBondContact O-N 2.92Å |
| 805 | Y | 68.6 | Low | 62.2 | Low | 133 Ų | 133 | 93.2 Ų | 93.2 | 52% | 0.522 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 177.7 | -171.4 | -96.7 | 0 | 0 | 0 | 112.1 | F801 I802 I808 L809 | F801-Y805 VanDerWaalsContact O-CB 3.26Å; F801-Y805 WeakPolarHBondContact O-CB 3.4Å; F801-Y805 PolarHBondContact O-N 3.42Å; I802-Y805 PolarHBondContact O-N 2.93Å; Y805-I808 CarbonylContact O-C 3.58Å; Y805-I808 WeakPolarHBondContact O-CB 3.33Å; Y805-I808 PolarHBondContact O-N 2.86Å; Y805-L809 HydrophobicContact CE1-CB 4.48Å; Y805-L809 HydrophobicContact CE1-CD1 4.12Å; Y805-L809 VanDerWaalsContact O-CB 3.24Å; Y805-L809 WeakPolarHBondContact O-CB 3.47Å; Y805-L809 PolarHBondContact O-N 3.2Å |
| 806 | Y | 62.6 | Low | 60.4 | Low | 125 Ų | 125 | 98.6 Ų | 98.6 | 49% | 0.49 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 175 | 178 | -98.9 | 0 | 0 | 0 | 111.6 | I802 I808 L809 M810 | I802-Y806 WeakPolarHBondContact O-CA 3.39Å; I802-Y806 WeakPolarHBondContact O-CB 3.48Å; I802-Y806 PolarHBondContact O-N 3.2Å; Y806-I808 VanDerWaalsContact C-N 3.31Å; Y806-I808 PolarHBondContact O-N 3.36Å; Y806-L809 PolarHBondContact O-N 3.2Å; Y806-M810 HydrophobicContact CD1-CG 4.02Å; Y806-M810 HydrophobicContact CD2-CG 4.08Å; Y806-M810 HydrophobicContact CE1-CG 3.6Å; Y806-M810 HydrophobicContact CE2-CG 3.66Å; Y806-M810 HydrophobicContact CE2-SD 3.98Å; Y806-M810 HydrophobicContact CG-CG 4.25Å; Y806-M810 VanDerWaalsContact O-CB 3.24Å; Y806-M810 WeakPolarHBondContact O-CB 3.29Å; Y806-M810 VanDerWaalsContact O-CG 3.3Å; Y806-M810 WeakPolarHBondContact O-CG 3.39Å; Y806-M810 PolarHBondContact O-N 3Å |
| 807 | H | 56 | Low | 58.2 | Low | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.458 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 170.5 | -88.9 | -66.1 | 0 | 0 | 0 | 112 | K696 I803 K804 Y811 | K696-H807 PolarHBondContact NZ-NE2 3.3Å; K696-H807 VanDerWaalsContact NZ-NE2 3.1Å; I803-H807 WeakPolarHBondContact O-CB 3.49Å; I803-H807 PolarHBondContact O-CD2 3.41Å; I803-H807 PolarHBondContact O-N 3.18Å; K804-H807 PolarHBondContact O-N 3.22Å; H807-Y811 WeakPolarHBondContact O-CB 3.5Å; H807-Y811 PolarHBondContact O-N 3.29Å |
| 808 | I | 58.3 | Low | 56.1 | Low | 92 Ų | 92 | 95.6 Ų | 95.6 | 47% | 0.472 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 173.3 | -70.4 | 163.4 | 0 | 0 | 0 | 111.7 | K804 Y805 Y806 Y811 K812 | K804-I808 HydrophobicContact CG-CD1 4.13Å; K804-I808 WeakPolarHBondContact O-CB 3.39Å; K804-I808 WeakPolarHBondContact O-CD1 3.43Å; K804-I808 VanDerWaalsContact O-CG1 3.24Å; K804-I808 WeakPolarHBondContact O-CG1 2.98Å; K804-I808 PolarHBondContact O-N 2.92Å; Y805-I808 CarbonylContact O-C 3.58Å; Y805-I808 WeakPolarHBondContact O-CB 3.33Å; Y805-I808 PolarHBondContact O-N 2.86Å; Y806-I808 VanDerWaalsContact C-N 3.31Å; Y806-I808 PolarHBondContact O-N 3.36Å; I808-Y811 PolarHBondContact O-N 3.24Å; I808-K812 WeakPolarHBondContact O-CB 3.49Å; I808-K812 PolarHBondContact O-N 2.57Å |
| 809 | L | 51.4 | Low | 54.1 | Low | 67 Ų | 67 | 102.6 Ų | 102.6 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.5 | -48.4 | -178.9 | -171.8 | 87.8 | 0 | 0 | 0 | 110.9 | Y805 Y806 Y811 K812 L813 | Y805-L809 HydrophobicContact CE1-CB 4.48Å; Y805-L809 HydrophobicContact CE1-CD1 4.12Å; Y805-L809 VanDerWaalsContact O-CB 3.24Å; Y805-L809 WeakPolarHBondContact O-CB 3.47Å; Y805-L809 PolarHBondContact O-N 3.2Å; Y806-L809 PolarHBondContact O-N 3.2Å; L809-Y811 VanDerWaalsContact C-N 3.29Å; L809-Y811 PolarHBondContact O-N 2.81Å; L809-K812 CarbonylContact O-C 3.36Å; L809-K812 WeakPolarHBondContact O-CA 3.48Å; L809-K812 WeakPolarHBondContact O-CB 3.46Å; L809-K812 PolarHBondContact O-N 3.26Å; L809-K812 VanDerWaalsContact O-N 3.07Å; L809-L813 HydrophobicContact CD2-CD1 4.13Å; L809-L813 HydrophobicContact CG-CD1 4.02Å; L809-L813 WeakPolarHBondContact O-CB 3.45Å; L809-L813 WeakPolarHBondContact O-CG 3.45Å; L809-L813 PolarHBondContact O-N 3.46Å |
| 810 | M | 51.4 | Low | 52.1 | Low | 54 Ų | 54 | 108.5 Ų | 108.5 | 27% | 0.266 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 171.1 | -72.8 | -65.9 | -68.9 | 0 | 0 | 110.4 | Y806 K812 L813 E814 | Y806-M810 HydrophobicContact CD1-CG 4.02Å; Y806-M810 HydrophobicContact CD2-CG 4.08Å; Y806-M810 HydrophobicContact CE1-CG 3.6Å; Y806-M810 HydrophobicContact CE2-CG 3.66Å; Y806-M810 HydrophobicContact CE2-SD 3.98Å; Y806-M810 HydrophobicContact CG-CG 4.25Å; Y806-M810 VanDerWaalsContact O-CB 3.24Å; Y806-M810 WeakPolarHBondContact O-CB 3.29Å; Y806-M810 VanDerWaalsContact O-CG 3.3Å; Y806-M810 WeakPolarHBondContact O-CG 3.39Å; Y806-M810 PolarHBondContact O-N 3Å; M810-K812 VanDerWaalsContact C-N 3.3Å; M810-K812 PolarHBondContact O-N 3.12Å; M810-L813 PolarHBondContact O-N 3.34Å; M810-E814 WeakPolarHBondContact O-CB 3.41Å; M810-E814 WeakPolarHBondContact O-CG 3.4Å; M810-E814 PolarHBondContact O-N 3.24Å |
| 811 | Y | 51 | Low | 50.2 | Low | 82 Ų | 82 | 115.6 Ų | 115.6 | 32% | 0.322 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 174 | -176.2 | -105.2 | 0 | 0 | 0 | 113 | H807 I808 L809 K815 P895 | H807-Y811 WeakPolarHBondContact O-CB 3.5Å; H807-Y811 PolarHBondContact O-N 3.29Å; I808-Y811 PolarHBondContact O-N 3.24Å; L809-Y811 VanDerWaalsContact C-N 3.29Å; L809-Y811 PolarHBondContact O-N 2.81Å; Y811-K815 HydrophobicContact CE1-CD 4Å; Y811-K815 WeakPolarHBondContact O-CB 3.43Å; Y811-K815 PolarHBondContact O-N 3.11Å; Y811-K815 PolarHBondContact OH-NZ 3.02Å; Y811-P895 HydrophobicContact CD1-CB 4.34Å; Y811-P895 HydrophobicContact CD2-CB 4.19Å; Y811-P895 HydrophobicContact CD2-CG 3.81Å; Y811-P895 HydrophobicContact CE1-CB 3.8Å; Y811-P895 HydrophobicContact CE1-CG 4.47Å; Y811-P895 HydrophobicContact CE2-CB 3.63Å; Y811-P895 HydrophobicContact CE2-CG 3.47Å; Y811-P895 VanDerWaalsContact CE2-CG 3.47Å; Y811-P895 HydrophobicContact CG-CG 4.46Å; Y811-P895 VanDerWaalsContact CZ-CB 3.43Å |
| 812 | K | 47.3 | Very low | 48.1 | Very low | 146 Ų | 146 | 114 Ų | 114 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.4 | -41.3 | 171.8 | -124.1 | 180 | 178.5 | -175.5 | 0 | 111.9 | I808 L809 M810 N816 | I808-K812 WeakPolarHBondContact O-CB 3.49Å; I808-K812 PolarHBondContact O-N 2.57Å; L809-K812 CarbonylContact O-C 3.36Å; L809-K812 WeakPolarHBondContact O-CA 3.48Å; L809-K812 WeakPolarHBondContact O-CB 3.46Å; L809-K812 PolarHBondContact O-N 3.26Å; L809-K812 VanDerWaalsContact O-N 3.07Å; M810-K812 VanDerWaalsContact C-N 3.3Å; M810-K812 PolarHBondContact O-N 3.12Å; K812-N816 WeakPolarHBondContact O-CB 3.28Å; K812-N816 PolarHBondContact O-N 3.27Å; K812-N816 VanDerWaalsContact O-N 3.11Å; K812-N816 PolarHBondContact O-OD1 2.79Å |
| 813 | L | 44.6 | Very low | 46.1 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 44% | 0.435 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.4 | -48.2 | -179.2 | -74.9 | 166.5 | 0 | 0 | 0 | 111.5 | L809 M810 K815 N816 C817 | L809-L813 HydrophobicContact CD2-CD1 4.13Å; L809-L813 HydrophobicContact CG-CD1 4.02Å; L809-L813 WeakPolarHBondContact O-CB 3.45Å; L809-L813 WeakPolarHBondContact O-CG 3.45Å; L809-L813 PolarHBondContact O-N 3.46Å; M810-L813 PolarHBondContact O-N 3.34Å; L813-K815 VanDerWaalsContact C-N 3.26Å; L813-K815 PolarHBondContact O-N 2.84Å; L813-N816 PolarHBondContact O-N 2.97Å; L813-N816 VanDerWaalsContact O-N 3.12Å; L813-C817 VanDerWaalsContact O-CB 3.29Å; L813-C817 WeakPolarHBondContact O-CB 3.35Å; L813-C817 PolarHBondContact O-N 3.23Å; L813-C817 PolarHBondContact O-SG 3.34Å |
| 814 | E | 47.3 | Very low | 44.4 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57.5 | -41 | 173.9 | -72.2 | 174.9 | 170.4 | 0 | 0 | 111.1 | M810 N816 C817 I818 | M810-E814 WeakPolarHBondContact O-CB 3.41Å; M810-E814 WeakPolarHBondContact O-CG 3.4Å; M810-E814 PolarHBondContact O-N 3.24Å; E814-N816 VanDerWaalsContact C-N 3.3Å; E814-N816 PolarHBondContact O-N 3.04Å; E814-C817 PolarHBondContact O-N 2.9Å; E814-I818 WeakPolarHBondContact O-CD1 3.38Å; E814-I818 VanDerWaalsContact O-CG1 3.24Å; E814-I818 WeakPolarHBondContact O-CG1 3.46Å; E814-I818 PolarHBondContact O-N 3.29Å; E814-I818 VanDerWaalsContact O-N 3.15Å |
| 815 | K | 36.2 | Very low | 42.9 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 54% | 0.535 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -71.2 | -22.2 | 179 | -162.1 | 168.9 | -164.4 | 167.7 | 0 | 114.2 | Y811 L813 | Y811-K815 HydrophobicContact CE1-CD 4Å; Y811-K815 WeakPolarHBondContact O-CB 3.43Å; Y811-K815 PolarHBondContact O-N 3.11Å; Y811-K815 PolarHBondContact OH-NZ 3.02Å; L813-K815 VanDerWaalsContact C-N 3.26Å; L813-K815 PolarHBondContact O-N 2.84Å |
| 816 | N | 39.8 | Very low | 41 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 61% | 0.61 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -91.5 | -37.4 | 173 | -73.9 | 8.7 | 0 | 0 | 0 | 112.1 | K812 L813 E814 I818 F819 | K812-N816 WeakPolarHBondContact O-CB 3.28Å; K812-N816 PolarHBondContact O-N 3.27Å; K812-N816 VanDerWaalsContact O-N 3.11Å; K812-N816 PolarHBondContact O-OD1 2.79Å; L813-N816 PolarHBondContact O-N 2.97Å; L813-N816 VanDerWaalsContact O-N 3.12Å; E814-N816 VanDerWaalsContact C-N 3.3Å; E814-N816 PolarHBondContact O-N 3.04Å; N816-I818 VanDerWaalsContact C-N 3.32Å; N816-I818 PolarHBondContact O-N 2.91Å; N816-F819 CarbonylContact O-C 3.51Å; N816-F819 PolarHBondContact O-N 2.86Å; N816-F819 VanDerWaalsContact O-N 3.14Å |
| 817 | C | 37.5 | Very low | 39.3 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.5 | -12.4 | -177.9 | -66.9 | 0 | 0 | 0 | 0 | 114.1 | L813 E814 F819 | L813-C817 VanDerWaalsContact O-CB 3.29Å; L813-C817 WeakPolarHBondContact O-CB 3.35Å; L813-C817 PolarHBondContact O-N 3.23Å; L813-C817 PolarHBondContact O-SG 3.34Å; E814-C817 PolarHBondContact O-N 2.9Å; C817-F819 PolarHBondContact O-N 2.87Å |
| 818 | I | 36.4 | Very low | 38.2 | Very low | 140 Ų | 140 | 120.4 Ų | 120.4 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -8 | 168 | -71.2 | 166 | 0 | 0 | 0 | 111.6 | E814 N816 | E814-I818 WeakPolarHBondContact O-CD1 3.38Å; E814-I818 VanDerWaalsContact O-CG1 3.24Å; E814-I818 WeakPolarHBondContact O-CG1 3.46Å; E814-I818 PolarHBondContact O-N 3.29Å; E814-I818 VanDerWaalsContact O-N 3.15Å; N816-I818 VanDerWaalsContact C-N 3.32Å; N816-I818 PolarHBondContact O-N 2.91Å |
| 819 | F | 31.2 | Very low | 36.7 | Very low | 169 Ų | 169 | 124 Ų | 124 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -119.7 | 81.7 | 169.9 | -95.2 | -93 | 0 | 0 | 0 | 111 | N816 C817 | N816-F819 CarbonylContact O-C 3.51Å; N816-F819 PolarHBondContact O-N 2.86Å; N816-F819 VanDerWaalsContact O-N 3.14Å; C817-F819 PolarHBondContact O-N 2.87Å |
| 820 | N | 28.2 | Very low | 35.5 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | trans | 154.1 | 83.7 | 147.1 | -80 | -13.7 | 0 | 0 | 0 | 111.7 | ||||
| 821 | Q | 31.5 | Very low | 34.4 | Very low | 200 Ų | 200 | 133.9 Ų | 133.9 | 94% | 0.935 | 72% | 0.718 | S | S | * | * | trans | -155.1 | 68.3 | 160.9 | -123.2 | 173.5 | 28.2 | 0 | 0 | 111.9 | ||||
| 822 | S | 30.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -151.7 | 58.7 | 179.7 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 823 | T | 29.9 | Very low | 32.3 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | -141.8 | 58.8 | -173 | 54.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 824 | T | 29.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -142.3 | 50.3 | 166.1 | 56 | 0 | 0 | 0 | 0 | 112.4 | ||
| 825 | S | 31.5 | Very low | 30.4 | Very low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -156.9 | 117.8 | 154.2 | 43.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 826 | I | 27.7 | Very low | 29.8 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -95.4 | 153.8 | 178.7 | -74.3 | 168.1 | 0 | 0 | 0 | 108.4 | ||||
| 827 | N | 28.4 | Very low | 29.2 | Very low | 162 Ų | 162 | 160 Ų | 160 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | 68.3 | 97.4 | 178.8 | -60.6 | -19.5 | 0 | 0 | 0 | 116.1 | ||||
| 828 | G | 32 | Very low | 28.6 | Very low | 82 Ų | 82 | 165.1 Ų | 165.1 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -171 | 27.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | N830 | G828-N830 PolarHBondContact O-N 2.9Š| ||
| 829 | M | 26.7 | Very low | 28.1 | Very low | 167 Ų | 167 | 164.6 Ų | 164.6 | 82% | 0.823 | 82% | 0.819 | S | S | * | * | trans | -74.1 | 122.7 | -176.9 | -74.1 | 165.5 | 54.8 | 0 | 0 | 111.8 | ||||
| 830 | N | 27.4 | Very low | 27.8 | Very low | 134 Ų | 134 | 160.7 Ų | 160.7 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | 168.5 | 146 | 120.4 | -93.1 | -54.9 | 0 | 0 | 0 | 114.4 | G828 | G828-N830 PolarHBondContact O-N 2.9Š| |||
| 831 | K | 27.4 | Very low | 27.8 | Very low | 195 Ų | 195 | 159.6 Ų | 159.6 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 66.3 | 134.5 | 168.3 | -54.6 | 153.9 | -177 | 175.7 | 0 | 114.1 | ||||
| 832 | K | 28.5 | Very low | 27.5 | Very low | 194 Ų | 194 | 154 Ų | 154 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | cis | -137.9 | 126.8 | 5.7 | -64.3 | 173.2 | -178.5 | 169.2 | 0 | 107.8 | ||||
| 833 | K | 26.3 | Very low | 27.3 | Very low | 181 Ų | 181 | 152.2 Ų | 152.2 | 79% | 0.787 | 81% | 0.811 | S | S | * | * | 75 | 113.4 | 84.5 | -73.4 | -178.4 | 175.2 | 177 | 0 | 118.1 | |||||
| 834 | R | 26.6 | Very low | 26.9 | Very low | 231 Ų | 231 | 153.2 Ų | 153.2 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | 71.9 | 157.3 | 148.5 | -60.2 | 172.3 | 173.5 | 170.9 | -5.1 | 117.3 | ||||
| 835 | K | 25.6 | Very low | 26.7 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | cis | -122.4 | 145.7 | 5.4 | -66.3 | 173.8 | -179.5 | 170.3 | 0 | 112.7 | Y1219 | K835-Y1219 PolarHBondContact NZ-OH 2.8Š| ||
| 836 | K | 23.7 | Very low | 26.3 | Very low | 214 Ų | 214 | 156.7 Ų | 156.7 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -148.2 | 121.9 | 164.3 | -127.6 | -176.9 | -174.3 | 178.2 | 0 | 109.4 | ||||
| 837 | R | 27 | Very low | 26.2 | Very low | 212 Ų | 212 | 155.7 Ų | 155.7 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -159.7 | 152.1 | 169.9 | -91.4 | -165.7 | 170.8 | 177.2 | -4.1 | 105.9 | I839 | R837-I839 VanDerWaalsContact CZ-CD1 3.49Š| ||
| 838 | K | 23.7 | Very low | 26.1 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | cis | 60.3 | 94.3 | 3.6 | -91.2 | -159.8 | 171.6 | -166.2 | 0 | 117.3 | ||||
| 839 | I | 26.9 | Very low | 25.8 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | -156.3 | 171.5 | 139 | -101.8 | 162.7 | 0 | 0 | 0 | 106.5 | R837 | R837-I839 VanDerWaalsContact CZ-CD1 3.49Š| ||
| 840 | S | 25.5 | Very low | 25.8 | Very low | 88 Ų | 88 | 154 Ų | 154 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | -174.3 | 128.2 | -102.9 | 46 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 841 | S | 26.6 | Very low | 25.9 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 55.1 | 124 | 163 | 50.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 842 | G | 26.9 | Very low | 26 | Very low | 84 Ų | 84 | 148 Ų | 148 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | 98.8 | 138.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 843 | G | 24.6 | Very low | 26.1 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | cis | 173.3 | 111.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 844 | N | 23.4 | Very low | 26.4 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 49.2 | 127.6 | 166.9 | -64.1 | -3.7 | 0 | 0 | 0 | 120.6 | ||||
| 845 | Q | 24.3 | Very low | 26.5 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | 69.6 | 140 | 160.9 | -63.6 | 168.6 | -37 | 0 | 0 | 117 | ||||
| 846 | L | 23.3 | Very low | 26.7 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | 62.6 | 140.1 | -172.4 | -54.3 | 114.9 | 0 | 0 | 0 | 114.1 | ||||
| 847 | D | 24.8 | Very low | 27.1 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | cis | -117.7 | 151.3 | 1.2 | -83.6 | -54.5 | 0 | 0 | 0 | 113.1 | ||||
| 848 | I | 26.6 | Very low | 27.6 | Very low | 175 Ų | 175 | 118.9 Ų | 118.9 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | trans | -111.3 | 82.2 | 176.3 | -57 | 174.4 | 0 | 0 | 0 | 108.8 | ||||
| 849 | S | 25.6 | Very low | 28.1 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | trans | -162.1 | 175.6 | 171.7 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 850 | V | 27.8 | Very low | 28.5 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 70% | 0.703 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 60.2 | 47.1 | 170.3 | -153.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 851 | N | 28.1 | Very low | 29.2 | Very low | 101 Ų | 101 | 110.6 Ų | 110.6 | 54% | 0.54 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -148.6 | -0.4 | 131.5 | -128.8 | -37.2 | 0 | 0 | 0 | 114.4 | S853 L855 | N851-S853 PolarHBondContact O-N 3.25Å; N851-L855 PolarHBondContact O-N 3.37Å |
| 852 | T | 30 | Very low | 29.8 | Very low | 100 Ų | 100 | 110.2 Ų | 110.2 | 61% | 0.613 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 37.4 | 156.7 | 44 | 0 | 0 | 0 | 0 | 112.8 | L856 | T852-L856 WeakPolarHBondContact O-CB 3.43Å; T852-L856 VanDerWaalsContact O-CD1 3.27Å; T852-L856 WeakPolarHBondContact O-CD1 3.38Å; T852-L856 WeakPolarHBondContact O-CG 3.42Å |
| 853 | S | 31 | Very low | 30.1 | Very low | 56 Ų | 56 | 109.3 Ų | 109.3 | 39% | 0.392 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.3 | -52.9 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | N851 L856 L857 | N851-S853 PolarHBondContact O-N 3.25Å; S853-L856 PolarHBondContact O-N 3.18Å; S853-L857 VanDerWaalsContact O-CB 3.31Å; S853-L857 WeakPolarHBondContact O-CB 3.4Å; S853-L857 WeakPolarHBondContact O-CG 3.38Å; S853-L857 PolarHBondContact O-N 2.69Å |
| 854 | Q | 32.1 | Very low | 30.6 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 63% | 0.631 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.9 | -34 | 172.7 | -67.3 | -175.9 | -9.1 | 0 | 0 | 112.2 | V858 | Q854-V858 PolarHBondContact O-N 2.93Å |
| 855 | L | 29.7 | Very low | 31.3 | Very low | 113 Ų | 113 | 112.8 Ų | 112.8 | 59% | 0.592 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -78.7 | -25 | 170.6 | -125 | 161.3 | 0 | 0 | 0 | 112.2 | N851 N859 | N851-L855 PolarHBondContact O-N 3.37Å; L855-N859 WeakPolarHBondContact O-CB 3.31Å; L855-N859 PolarHBondContact O-N 3.24Å; L855-N859 PolarHBondContact O-ND2 3.06Å; L855-N859 PolarHBondContact O-OD1 3.37Å |
| 856 | L | 29.5 | Very low | 31.9 | Very low | 98 Ų | 98 | 109.7 Ų | 109.7 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -82.6 | -24.1 | 170.8 | -73.2 | -166.5 | 0 | 0 | 0 | 114.4 | T852 S853 S860 | T852-L856 WeakPolarHBondContact O-CB 3.43Å; T852-L856 VanDerWaalsContact O-CD1 3.27Å; T852-L856 WeakPolarHBondContact O-CD1 3.38Å; T852-L856 WeakPolarHBondContact O-CG 3.42Å; S853-L856 PolarHBondContact O-N 3.18Å; L856-S860 WeakPolarHBondContact O-CA 3.32Å; L856-S860 WeakPolarHBondContact O-CB 3.07Å; L856-S860 PolarHBondContact O-N 3.5Å; L856-S860 PolarHBondContact O-OG 3.31Å |
| 857 | L | 32.5 | Very low | 32.4 | Very low | 105 Ų | 105 | 107 Ų | 107 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75 | -38.7 | 174.1 | -87.7 | 163.9 | 0 | 0 | 0 | 112.6 | S853 S860 F861 | S853-L857 VanDerWaalsContact O-CB 3.31Å; S853-L857 WeakPolarHBondContact O-CB 3.4Å; S853-L857 WeakPolarHBondContact O-CG 3.38Å; S853-L857 PolarHBondContact O-N 2.69Å; L857-S860 PolarHBondContact O-OG 3.3Å; L857-S860 VanDerWaalsContact O-OG 3.13Å; L857-F861 PolarHBondContact O-N 2.92Å |
| 858 | V | 37.6 | Very low | 33 | Very low | 89 Ų | 89 | 106.1 Ų | 106.1 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.1 | -39 | 172.7 | 179 | 0 | 0 | 0 | 0 | 110.4 | Q854 Q862 | Q854-V858 PolarHBondContact O-N 2.93Å; V858-Q862 WeakPolarHBondContact O-CG 3.49Å; V858-Q862 PolarHBondContact O-N 3.21Å |
| 859 | N | 33 | Very low | 33.6 | Very low | 65 Ų | 65 | 103.3 Ų | 103.3 | 35% | 0.348 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.9 | -34.7 | 173.6 | -71.1 | -0.8 | 0 | 0 | 0 | 112.2 | L855 Q862 T863 | L855-N859 WeakPolarHBondContact O-CB 3.31Å; L855-N859 PolarHBondContact O-N 3.24Å; L855-N859 PolarHBondContact O-ND2 3.06Å; L855-N859 PolarHBondContact O-OD1 3.37Å; N859-Q862 CarbonylContact O-C 3.52Å; N859-Q862 PolarHBondContact O-N 3.31Å; N859-T863 WeakPolarHBondContact O-CB 3.49Å; N859-T863 WeakPolarHBondContact O-CG2 3.45Å; N859-T863 PolarHBondContact O-N 3.2Å; N859-T863 PolarHBondContact O-OG1 3.06Å |
| 860 | S | 36.5 | Very low | 34 | Very low | 34 Ų | 34 | 104.5 Ų | 104.5 | 24% | 0.238 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -66.4 | -48.2 | 179.6 | 70.3 | 0 | 0 | 0 | 0 | 110.7 | L856 L857 Q862 T863 E864 | L856-S860 WeakPolarHBondContact O-CA 3.32Å; L856-S860 WeakPolarHBondContact O-CB 3.07Å; L856-S860 PolarHBondContact O-N 3.5Å; L856-S860 PolarHBondContact O-OG 3.31Å; L857-S860 PolarHBondContact O-OG 3.3Å; L857-S860 VanDerWaalsContact O-OG 3.13Å; S860-Q862 PolarHBondContact O-N 3.14Å; S860-T863 WeakPolarHBondContact CA-OG1 3.06Å; S860-T863 PolarHBondContact O-N 2.92Å; S860-T863 VanDerWaalsContact O-N 3.14Å; S860-T863 PolarHBondContact O-OG1 2.9Å; S860-E864 WeakPolarHBondContact O-CB 3.42Å; S860-E864 WeakPolarHBondContact O-CG 3.26Å; S860-E864 PolarHBondContact O-N 3.06Å |
| 861 | F | 38.4 | Very low | 34.4 | Very low | 147 Ų | 147 | 103 Ų | 103 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.2 | -25 | 174.3 | -91.5 | -82.2 | 0 | 0 | 0 | 113.3 | L857 R865 | L857-F861 PolarHBondContact O-N 2.92Å; F861-R865 VanDerWaalsContact O-CB 3.32Å; F861-R865 WeakPolarHBondContact O-CB 3.35Å |
| 862 | Q | 39.4 | Very low | 34.8 | Very low | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -83.2 | -38.6 | 171.6 | -72 | -172.1 | -7 | 0 | 0 | 113 | V858 N859 S860 Q866 | V858-Q862 WeakPolarHBondContact O-CG 3.49Å; V858-Q862 PolarHBondContact O-N 3.21Å; N859-Q862 CarbonylContact O-C 3.52Å; N859-Q862 PolarHBondContact O-N 3.31Å; S860-Q862 PolarHBondContact O-N 3.14Å; Q862-Q866 VanDerWaalsContact O-CB 3.22Å; Q862-Q866 WeakPolarHBondContact O-CB 3.31Å; Q862-Q866 VanDerWaalsContact O-CG 3.24Å; Q862-Q866 WeakPolarHBondContact O-CG 3.42Å; Q862-Q866 PolarHBondContact O-N 3.03Å |
| 863 | T | 34.5 | Very low | 34.7 | Very low | 64 Ų | 64 | 104.5 Ų | 104.5 | 39% | 0.393 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -78.7 | -32.9 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | N859 S860 Q866 N867 | N859-T863 WeakPolarHBondContact O-CB 3.49Å; N859-T863 WeakPolarHBondContact O-CG2 3.45Å; N859-T863 PolarHBondContact O-N 3.2Å; N859-T863 PolarHBondContact O-OG1 3.06Å; S860-T863 WeakPolarHBondContact CA-OG1 3.06Å; S860-T863 PolarHBondContact O-N 2.92Å; S860-T863 VanDerWaalsContact O-N 3.14Å; S860-T863 PolarHBondContact O-OG1 2.9Å; T863-Q866 PolarHBondContact O-N 3.23Å; T863-N867 WeakPolarHBondContact O-CB 3.49Å; T863-N867 PolarHBondContact O-N 3.49Å; T863-N867 PolarHBondContact O-ND2 2.92Å; T863-N867 PolarHBondContact O-OD1 3.17Å |
| 864 | E | 34.1 | Very low | 34.6 | Very low | 110 Ų | 110 | 108.3 Ų | 108.3 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.6 | -45.2 | 170.4 | -72.1 | 177.2 | 140.8 | 0 | 0 | 109.7 | S860 N867 L868 | S860-E864 WeakPolarHBondContact O-CB 3.42Å; S860-E864 WeakPolarHBondContact O-CG 3.26Å; S860-E864 PolarHBondContact O-N 3.06Å; E864-N867 PolarHBondContact O-N 3.05Å; E864-L868 WeakPolarHBondContact O-CB 3.31Å; E864-L868 WeakPolarHBondContact O-CG 3.4Å; E864-L868 PolarHBondContact O-N 3.21Å |
| 865 | R | 37.6 | Very low | 34.5 | Very low | 188 Ų | 188 | 110.8 Ų | 110.8 | 71% | 0.709 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.9 | -33.3 | 177 | -156.8 | 168 | -171.3 | 163 | 3.1 | 112.7 | F861 L869 | F861-R865 VanDerWaalsContact O-CB 3.32Å; F861-R865 WeakPolarHBondContact O-CB 3.35Å; R865-L869 WeakPolarHBondContact O-CB 3.47Å; R865-L869 WeakPolarHBondContact O-CD1 3.29Å; R865-L869 WeakPolarHBondContact O-CG 3.42Å; R865-L869 PolarHBondContact O-N 3.15Å |
| 866 | Q | 38.3 | Very low | 34.6 | Very low | 111 Ų | 111 | 115.7 Ų | 115.7 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.4 | -35.4 | 171.8 | -78.1 | 179.4 | -36.4 | 0 | 0 | 112.8 | Q862 T863 L869 N870 | Q862-Q866 VanDerWaalsContact O-CB 3.22Å; Q862-Q866 WeakPolarHBondContact O-CB 3.31Å; Q862-Q866 VanDerWaalsContact O-CG 3.24Å; Q862-Q866 WeakPolarHBondContact O-CG 3.42Å; Q862-Q866 PolarHBondContact O-N 3.03Å; T863-Q866 PolarHBondContact O-N 3.23Å; Q866-L869 PolarHBondContact O-N 2.84Å; Q866-N870 VanDerWaalsContact O-CB 3.3Å; Q866-N870 WeakPolarHBondContact O-CB 3.38Å; Q866-N870 PolarHBondContact O-N 3.46Å; Q866-N870 PolarHBondContact O-ND2 2.55Å; Q866-N870 PolarHBondContact O-OD1 3.4Å |
| 867 | N | 33.9 | Very low | 35.1 | Very low | 102 Ų | 102 | 116 Ų | 116 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.9 | -38.1 | 175.7 | -70.7 | -15.2 | 0 | 0 | 0 | 111.1 | T863 E864 N870 S871 | T863-N867 WeakPolarHBondContact O-CB 3.49Å; T863-N867 PolarHBondContact O-N 3.49Å; T863-N867 PolarHBondContact O-ND2 2.92Å; T863-N867 PolarHBondContact O-OD1 3.17Å; E864-N867 PolarHBondContact O-N 3.05Å; N867-N870 PolarHBondContact O-N 3.49Å; N867-S871 PolarHBondContact O-N 2.93Å |
| 868 | L | 37.6 | Very low | 35.7 | Very low | 118 Ų | 118 | 116.3 Ų | 116.3 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.4 | -45.7 | 168.5 | -77.9 | 163.5 | 0 | 0 | 0 | 111.4 | E864 N870 S871 | E864-L868 WeakPolarHBondContact O-CB 3.31Å; E864-L868 WeakPolarHBondContact O-CG 3.4Å; E864-L868 PolarHBondContact O-N 3.21Å; L868-N870 VanDerWaalsContact C-N 3.33Å; L868-N870 PolarHBondContact O-N 2.97Å; L868-S871 PolarHBondContact O-N 3.24Å; L868-S871 PolarHBondContact O-OG 3.13Å |
| 869 | L | 39 | Very low | 36 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.4 | -33.6 | 175 | -75.7 | 165.5 | 0 | 0 | 0 | 113.3 | R865 Q866 S871 T872 | R865-L869 WeakPolarHBondContact O-CB 3.47Å; R865-L869 WeakPolarHBondContact O-CD1 3.29Å; R865-L869 WeakPolarHBondContact O-CG 3.42Å; R865-L869 PolarHBondContact O-N 3.15Å; Q866-L869 PolarHBondContact O-N 2.84Å; L869-S871 VanDerWaalsContact C-N 3.31Å; L869-T872 PolarHBondContact O-OG1 2.85Å |
| 870 | N | 33.8 | Very low | 37.1 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74 | -21.7 | 175.4 | -70.1 | -21.8 | 0 | 0 | 0 | 112.6 | Q866 N867 L868 T872 | Q866-N870 VanDerWaalsContact O-CB 3.3Å; Q866-N870 WeakPolarHBondContact O-CB 3.38Å; Q866-N870 PolarHBondContact O-N 3.46Å; Q866-N870 PolarHBondContact O-ND2 2.55Å; Q866-N870 PolarHBondContact O-OD1 3.4Å; N867-N870 PolarHBondContact O-N 3.49Å; L868-N870 VanDerWaalsContact C-N 3.33Å; L868-N870 PolarHBondContact O-N 2.97Å; N870-T872 VanDerWaalsContact C-N 3.35Å |
| 871 | S | 36.3 | Very low | 38.4 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.9 | -13.9 | 177 | 71.1 | 0 | 0 | 0 | 0 | 114 | N867 L868 L869 | N867-S871 PolarHBondContact O-N 2.93Å; L868-S871 PolarHBondContact O-N 3.24Å; L868-S871 PolarHBondContact O-OG 3.13Å; L869-S871 VanDerWaalsContact C-N 3.31Å |
| 872 | T | 36.5 | Very low | 40 | Very low | 96 Ų | 96 | 116.4 Ų | 116.4 | 59% | 0.589 | 60% | 0.595 | S | S | * | * | trans | -110.8 | 66.2 | 177.7 | 58.6 | 0 | 0 | 0 | 0 | 112 | L869 N870 | L869-T872 PolarHBondContact O-OG1 2.85Å; N870-T872 VanDerWaalsContact C-N 3.35Å | ||
| 873 | N | 27.8 | Very low | 42 | Very low | 136 Ų | 136 | 110.9 Ų | 110.9 | 73% | 0.727 | 57% | 0.57 | S | S | * | * | trans | -58.7 | 152.1 | 159.1 | -74.7 | -52.1 | 0 | 0 | 0 | 109.8 | ||||
| 874 | N | 27.8 | Very low | 44.4 | Very low | 135 Ų | 135 | 107.9 Ų | 107.9 | 72% | 0.722 | 55% | 0.551 | S | S | * | * | trans | 82.5 | 41.6 | 174.3 | -49 | -25.3 | 0 | 0 | 0 | 118.9 | ||||
| 875 | H | 31.5 | Very low | 47 | Very low | 188 Ų | 188 | 104.5 Ų | 104.5 | 87% | 0.87 | 54% | 0.536 | S | S | * | . | trans | -139.6 | 99.9 | 148.4 | -85 | -62.7 | 0 | 0 | 0 | 111.7 | P877 | H875-P877 VanDerWaalsContact O-CD 3.3Å; H875-P877 WeakPolarHBondContact O-CD 3.21Å | ||
| 876 | Y | 30.7 | Very low | 49.4 | Very low | 216 Ų | 216 | 95.6 Ų | 95.6 | 85% | 0.847 | 50% | 0.502 | S | S | * | . | trans | -81.7 | 114 | 172.7 | -72 | -89.2 | 0 | 0 | 0 | 110.1 | ||||
| 877 | P | 40 | Very low | 51.6 | Low | 104 Ų | 104 | 93.7 Ų | 93.7 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | trans | -67.2 | 153 | 164.6 | 30.8 | -34.3 | 0 | 0 | 0 | 109.7 | H875 M879 | H875-P877 VanDerWaalsContact O-CD 3.3Å; H875-P877 WeakPolarHBondContact O-CD 3.21Å; P877-M879 PolarHBondContact O-N 3.47Å; P877-M879 VanDerWaalsContact O-N 3.12Å | ||
| 878 | I | 45.9 | Very low | 54.1 | Low | 111 Ų | 111 | 93.2 Ų | 93.2 | 57% | 0.569 | 49% | 0.494 | S | S | * | . | trans | -48.5 | 119.5 | -178.5 | -60.6 | 142.9 | 0 | 0 | 0 | 109.9 | L880 L2097 | I878-L880 PolarHBondContact O-N 3.19Å; I878-L2097 HydrophobicContact CD1-CD1 3.57Å; I878-L2097 HydrophobicContact CG1-CD1 4.31Å | ||
| 879 | M | 44.3 | Very low | 56.5 | Low | 177 Ų | 177 | 87.6 Ų | 87.6 | 87% | 0.872 | 46% | 0.464 | S | S | * | . | trans | -78.2 | 64.4 | -169 | -164.8 | 168.1 | 68 | 0 | 0 | 112.3 | P877 S881 | P877-M879 PolarHBondContact O-N 3.47Å; P877-M879 VanDerWaalsContact O-N 3.12Å; M879-S881 PolarHBondContact O-N 3.3Å | ||
| 880 | L | 54.8 | Low | 58.9 | Low | 58 Ų | 58 | 82.4 Ų | 82.4 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | trans | -53.7 | 128.5 | 164.5 | -70.5 | 172.4 | 0 | 0 | 0 | 108.7 | I878 P882 Y909 Q912 | I878-L880 PolarHBondContact O-N 3.19Å; L880-P882 WeakPolarHBondContact O-CD 3.39Å; L880-Y909 HydrophobicContact CB-CD1 4.06Å; L880-Y909 HydrophobicContact CB-CG 4.49Å; L880-Y909 WeakPolarHBondContact O-CD1 3.36Å; L880-Q912 HydrophobicContact CD1-CG 4.47Å | ||
| 881 | S | 64.5 | Low | 61.4 | Low | 50 Ų | 50 | 78.6 Ų | 78.6 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | trans | -68.8 | 129.3 | -179.8 | 99.9 | 0 | 0 | 0 | 0 | 109.5 | M879 S883 E910 | M879-S881 PolarHBondContact O-N 3.3Å; S881-S883 PolarHBondContact O-N 2.98Å; S881-E910 PolarHBondContact O-N 3.46Å; S881-E910 VanDerWaalsContact OG-CD 3.32Å; S881-E910 PolarHBondContact OG-OE2 3.5Å | ||
| 882 | P | 71.6 | Confident | 63.7 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 34% | 0.338 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 92.8 | 174.2 | 29.4 | -33.4 | 0 | 0 | 0 | 108.9 | L880 V884 I885 F908 Y909 | L880-P882 WeakPolarHBondContact O-CD 3.39Å; P882-V884 PolarHBondContact O-N 3.42Å; P882-I885 HydrophobicContact CB-CD1 4.26Å; P882-I885 HydrophobicContact CB-CG1 3.92Å; P882-I885 HydrophobicContact CG-CD1 3.97Å; P882-I885 HydrophobicContact CG-CG1 4.21Å; P882-F908 CarbonylContact C-O 3.59Å; P882-F908 WeakPolarHBondContact CA-O 3.31Å; P882-Y909 HydrophobicContact CB-CD1 4.14Å; P882-Y909 HydrophobicContact CB-CE1 3.98Å |
| 883 | S | 81.1 | Confident | 65.6 | Low | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | -27.5 | -178.5 | 73.1 | 0 | 0 | 0 | 0 | 113.3 | S881 F908 M944 H945 T1067 | S881-S883 PolarHBondContact O-N 2.98Å; S883-F908 PolarHBondContact N-O 3.16Å; S883-F908 PolarHBondContact OG-O 3.26Å; S883-M944 CarbonylContact O-C 3.58Å; S883-M944 WeakPolarHBondContact O-CA 3.3Å; S883-M944 WeakPolarHBondContact O-CB 2.92Å; S883-H945 PolarHBondContact O-N 3.04Å; S883-T1067 WeakPolarHBondContact OG-CG2 3.41Å; S883-T1067 PolarHBondContact OG-OG1 3.29Å |
| 884 | V | 86.3 | Confident | 67.2 | Low | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 126.5 | 177.1 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | P882 V886 F908 L931 I942 I943 M944 V1037 | P882-V884 PolarHBondContact O-N 3.42Å; V884-V886 HydrophobicContact CG1-CG2 4.36Å; V884-F908 HydrophobicContact CB-CB 4.19Å; V884-F908 HydrophobicContact CB-CD2 3.85Å; V884-F908 HydrophobicContact CB-CG 4.46Å; V884-F908 HydrophobicContact CG1-CD2 3.84Å; V884-F908 HydrophobicContact CG1-CE2 4.37Å; V884-F908 PolarHBondContact N-O 3.2Å; V884-F908 PolarHBondContact O-N 3.12Å; V884-L931 HydrophobicContact CG1-CD2 4.03Å; V884-I942 HydrophobicContact CG1-CG2 4Å; V884-I943 CarbonylContact C-O 3.57Å; V884-I943 WeakPolarHBondContact CA-O 3.3Å; V884-M944 HydrophobicContact CB-CG 4.4Å; V884-M944 HydrophobicContact CB-SD 4.36Å; V884-M944 HydrophobicContact CG1-CG 4.05Å; V884-M944 HydrophobicContact CG1-SD 3.94Å; V884-M944 HydrophobicContact CG2-CB 4.16Å; V884-M944 HydrophobicContact CG2-CG 3.96Å; V884-M944 HydrophobicContact CG2-SD 3.56Å; V884-M944 VanDerWaalsContact CG2-SD 3.56Å; V884-V1037 HydrophobicContact CG2-CG1 3.92Å; V884-V1037 HydrophobicContact CG2-CG2 3.86Å |
| 885 | I | 88 | Confident | 68.3 | Low | 40 Ų | 40 | 76.1 Ų | 76.1 | 21% | 0.205 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.9 | 176.5 | -61 | 169.2 | 0 | 0 | 0 | 108.1 | P882 N887 I942 I943 | P882-I885 HydrophobicContact CB-CD1 4.26Å; P882-I885 HydrophobicContact CB-CG1 3.92Å; P882-I885 HydrophobicContact CG-CD1 3.97Å; P882-I885 HydrophobicContact CG-CG1 4.21Å; I885-N887 WeakPolarHBondContact CG2-OD1 3.43Å; I885-I942 CarbonylContact O-C 3.52Å; I885-I942 WeakPolarHBondContact O-CA 3.2Å; I885-I943 HydrophobicContact CB-CB 4.3Å; I885-I943 PolarHBondContact N-O 3.44Å; I885-I943 PolarHBondContact O-N 3.03Å |
| 886 | V | 87.9 | Confident | 69.6 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.6 | 178.6 | -176 | 0 | 0 | 0 | 0 | 108.6 | V884 L889 N905 M906 F908 L931 I942 | V884-V886 HydrophobicContact CG1-CG2 4.36Å; V886-L889 HydrophobicContact CG1-CB 3.64Å; V886-L889 HydrophobicContact CG1-CD1 3.62Å; V886-L889 HydrophobicContact CG1-CG 4.25Å; V886-N905 VanDerWaalsContact O-CA 3.29Å; V886-N905 WeakPolarHBondContact O-CA 3.4Å; V886-M906 WeakPolarHBondContact CB-O 3.37Å; V886-M906 PolarHBondContact N-O 2.81Å; V886-M906 PolarHBondContact O-N 3.28Å; V886-M906 VanDerWaalsContact O-N 3.12Å; V886-F908 HydrophobicContact CG2-CE2 3.86Å; V886-L931 HydrophobicContact CG2-CD2 3.94Å; V886-I942 HydrophobicContact CG1-CG1 4.32Å; V886-I942 HydrophobicContact CG2-CG1 4.3Å; V886-I942 HydrophobicContact CG2-CG2 4.49Å |
| 887 | N | 85.4 | Confident | 71 | Confident | 72 Ų | 72 | 68.7 Ų | 68.7 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.5 | -174.4 | -73.7 | -16 | 0 | 0 | 0 | 112.4 | I885 L889 G940 K941 | I885-N887 WeakPolarHBondContact CG2-OD1 3.43Å; N887-L889 VanDerWaalsContact C-N 3.29Å; N887-L889 PolarHBondContact O-N 3.39Å; N887-G940 CarbonylContact O-C 3.59Å; N887-G940 WeakPolarHBondContact O-CA 3.3Å; N887-K941 PolarHBondContact N-O 3.13Å; N887-K941 PolarHBondContact O-N 3.28Å |
| 888 | N | 86.2 | Confident | 72.3 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47 | 44.1 | 177.9 | -68.8 | -23.9 | 0 | 0 | 0 | 113.7 | T890 N905 G940 | N888-T890 PolarHBondContact O-N 2.99Å; N888-N905 WeakPolarHBondContact CA-OD1 3.33Å; N888-N905 PolarHBondContact N-OD1 3.3Å; N888-N905 PolarHBondContact OD1-ND2 3.45Å; N888-N905 PolarHBondContact OD1-OD1 3.49Å; N888-G940 WeakPolarHBondContact O-CA 3.19Å; N888-G940 PolarHBondContact O-N 3.09Å |
| 889 | L | 86.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 121.4 | -172.4 | -172.5 | 154.9 | 0 | 0 | 0 | 111.6 | V886 N887 L901 N903 V904 I930 P937 Q939 I942 | V886-L889 HydrophobicContact CG1-CB 3.64Å; V886-L889 HydrophobicContact CG1-CD1 3.62Å; V886-L889 HydrophobicContact CG1-CG 4.25Å; N887-L889 VanDerWaalsContact C-N 3.29Å; N887-L889 PolarHBondContact O-N 3.39Å; L889-L901 HydrophobicContact CD2-CB 3.93Å; L889-L901 HydrophobicContact CD2-CD1 3.41Å; L889-L901 VanDerWaalsContact CD2-CD1 3.41Å; L889-L901 HydrophobicContact CD2-CG 4.3Å; L889-N903 PolarHBondContact O-N 3.31Å; L889-V904 HydrophobicContact CB-CB 4.39Å; L889-V904 PolarHBondContact N-O 3.43Å; L889-V904 PolarHBondContact O-N 3.08Å; L889-I930 HydrophobicContact CD1-CG2 4.01Å; L889-I930 HydrophobicContact CD2-CD1 4.05Å; L889-P937 HydrophobicContact CG-CB 4.31Å; L889-Q939 WeakPolarHBondContact CA-O 3.42Å; L889-I942 HydrophobicContact CD1-CD1 3.72Å; L889-I942 HydrophobicContact CD1-CG1 3.81Å |
| 890 | T | 89.1 | Confident | 75.7 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 150.4 | 170.7 | 72.3 | 0 | 0 | 0 | 0 | 111.5 | N888 L901 N903 T938 Q939 | N888-T890 PolarHBondContact O-N 2.99Å; T890-L901 CarbonylContact C-O 3.5Å; T890-L901 VanDerWaalsContact CA-O 3.3Å; T890-L901 WeakPolarHBondContact CA-O 3.29Å; T890-N903 WeakPolarHBondContact CG2-OD1 3.48Å; T890-T938 WeakPolarHBondContact O-CB 3.39Å; T890-T938 PolarHBondContact O-N 3.02Å; T890-Q939 HydrophobicContact CG2-CB 4.36Å; T890-Q939 PolarHBondContact N-O 3.49Å; T890-Q939 PolarHBondContact O-N 3.16Å; T890-Q939 VanDerWaalsContact OG1-CB 3.27Å; T890-Q939 WeakPolarHBondContact OG1-CB 3.42Å; T890-Q939 PolarHBondContact OG1-N 3.03Å; T890-Q939 PolarHBondContact OG1-OE1 3.02Å |
| 891 | K | 87.7 | Confident | 77.3 | Confident | 31 Ų | 31 | 61 Ų | 61 | 14% | 0.135 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 120.6 | 170.1 | -174.1 | 62.2 | 175 | 176.3 | 0 | 110.7 | Y893 A900 L901 I930 Q936 | K891-Y893 HydrophobicContact CG-CD2 4.44Å; K891-Y893 HydrophobicContact CG-CE2 4.08Å; K891-A900 PolarHBondContact O-N 3.3Å; K891-L901 HydrophobicContact CB-CB 4.03Å; K891-L901 HydrophobicContact CB-CD1 4.21Å; K891-L901 HydrophobicContact CB-CG 4.32Å; K891-L901 PolarHBondContact N-O 3.11Å; K891-L901 PolarHBondContact O-N 2.78Å; K891-I930 HydrophobicContact CB-CD1 3.86Å; K891-I930 HydrophobicContact CD-CD1 4.08Å; K891-I930 HydrophobicContact CG-CD1 3.95Å; K891-Q936 PolarHBondContact NZ-O 2.96Å |
| 892 | I | 84.2 | Confident | 78.4 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 35% | 0.349 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.4 | 176 | -52 | -179.6 | 0 | 0 | 0 | 108.8 | I899 T938 | I892-I899 HydrophobicContact CG1-CG1 4.29Å; I892-T938 HydrophobicContact CD1-CG2 4.47Å; I892-T938 HydrophobicContact CG1-CG2 4.34Å; I892-T938 PolarHBondContact N-OG1 2.82Å; I892-T938 VanDerWaalsContact N-OG1 3.09Å |
| 893 | Y | 76 | Confident | 79.1 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.8 | 174.8 | -79 | -94.3 | 0 | 0 | 0 | 111.2 | K891 S896 K897 R898 A900 T926 L935 | K891-Y893 HydrophobicContact CG-CD2 4.44Å; K891-Y893 HydrophobicContact CG-CE2 4.08Å; Y893-S896 PolarHBondContact O-N 2.81Å; Y893-S896 PolarHBondContact O-OG 3.42Å; Y893-K897 WeakPolarHBondContact O-CA 3.4Å; Y893-K897 PolarHBondContact O-N 2.88Å; Y893-R898 PolarHBondContact N-O 3.47Å; Y893-A900 HydrophobicContact CD2-CB 3.67Å; Y893-A900 HydrophobicContact CE2-CB 3.53Å; Y893-T926 HydrophobicContact CE2-CG2 3.95Å; Y893-T926 WeakPolarHBondContact OH-CG2 3.28Å; Y893-L935 WeakPolarHBondContact OH-CD1 3.3Å |
| 894 | Q | 62.1 | Low | 79.3 | Confident | 179 Ų | 179 | 62.5 Ų | 62.5 | 84% | 0.836 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 142 | 163.8 | -61.5 | -177.6 | 4.6 | 0 | 0 | 108.7 | ||
| 895 | P | 51 | Low | 79.4 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -96.1 | -1.1 | 7.4 | 38.4 | -36.6 | 0 | 0 | 0 | 114.7 | Y811 K897 | Y811-P895 HydrophobicContact CD1-CB 4.34Å; Y811-P895 HydrophobicContact CD2-CB 4.19Å; Y811-P895 HydrophobicContact CD2-CG 3.81Å; Y811-P895 HydrophobicContact CE1-CB 3.8Å; Y811-P895 HydrophobicContact CE1-CG 4.47Å; Y811-P895 HydrophobicContact CE2-CB 3.63Å; Y811-P895 HydrophobicContact CE2-CG 3.47Å; Y811-P895 VanDerWaalsContact CE2-CG 3.47Å; Y811-P895 HydrophobicContact CG-CG 4.46Å; Y811-P895 VanDerWaalsContact CZ-CB 3.43Å; P895-K897 PolarHBondContact O-N 3.32Å |
| 896 | S | 57.2 | Low | 79.3 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.5 | -173.4 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | Y893 R898 | Y893-S896 PolarHBondContact O-N 2.81Å; Y893-S896 PolarHBondContact O-OG 3.42Å; S896-R898 PolarHBondContact O-N 3.1Å; S896-R898 PolarHBondContact OG-N 3.35Å |
| 897 | K | 60.7 | Low | 79.3 | Confident | 177 Ų | 177 | 68.6 Ų | 68.6 | 77% | 0.77 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 12 | -170.4 | -69.1 | -167.9 | 173.7 | -170.4 | 0 | 114.2 | Y893 P895 I899 | Y893-K897 WeakPolarHBondContact O-CA 3.4Å; Y893-K897 PolarHBondContact O-N 2.88Å; P895-K897 PolarHBondContact O-N 3.32Å; K897-I899 PolarHBondContact O-N 2.82Å |
| 898 | R | 67.9 | Low | 79.4 | Confident | 178 Ų | 178 | 65.3 Ų | 65.3 | 67% | 0.672 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 120.1 | 177.3 | -71.9 | -173.6 | 177.6 | -177.4 | -1.3 | 109.4 | Y893 S896 A900 | Y893-R898 PolarHBondContact N-O 3.47Å; S896-R898 PolarHBondContact O-N 3.1Å; S896-R898 PolarHBondContact OG-N 3.35Å; R898-A900 PolarHBondContact O-N 3.13Å |
| 899 | I | 79.9 | Confident | 79.3 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 49% | 0.492 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 119.5 | 167.4 | -53.9 | 171.7 | 0 | 0 | 0 | 105.9 | I892 K897 L901 C902 | I892-I899 HydrophobicContact CG1-CG1 4.29Å; K897-I899 PolarHBondContact O-N 2.82Å; I899-L901 VanDerWaalsContact CG2-O 3.31Å; I899-L901 WeakPolarHBondContact CG2-O 3.45Å; I899-C902 HydrophobicContact CG2-CB 3.86Å |
| 900 | A | 81.6 | Confident | 79.1 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -26 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K891 Y893 R898 G923 T926 G1091 | K891-A900 PolarHBondContact O-N 3.3Å; Y893-A900 HydrophobicContact CD2-CB 3.67Å; Y893-A900 HydrophobicContact CE2-CB 3.53Å; R898-A900 PolarHBondContact O-N 3.13Å; A900-G923 WeakPolarHBondContact O-CA 3.34Å; A900-T926 HydrophobicContact CB-CG2 4.22Å; A900-G1091 WeakPolarHBondContact O-CA 3.35Å |
| 901 | L | 88.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.3 | 173.2 | -60 | 169.1 | 0 | 0 | 0 | 109.3 | L889 T890 K891 I899 V904 L927 I930 L1088 G1091 | L889-L901 HydrophobicContact CD2-CB 3.93Å; L889-L901 HydrophobicContact CD2-CD1 3.41Å; L889-L901 VanDerWaalsContact CD2-CD1 3.41Å; L889-L901 HydrophobicContact CD2-CG 4.3Å; T890-L901 CarbonylContact C-O 3.5Å; T890-L901 VanDerWaalsContact CA-O 3.3Å; T890-L901 WeakPolarHBondContact CA-O 3.29Å; K891-L901 HydrophobicContact CB-CB 4.03Å; K891-L901 HydrophobicContact CB-CD1 4.21Å; K891-L901 HydrophobicContact CB-CG 4.32Å; K891-L901 PolarHBondContact N-O 3.11Å; K891-L901 PolarHBondContact O-N 2.78Å; I899-L901 VanDerWaalsContact CG2-O 3.31Å; I899-L901 WeakPolarHBondContact CG2-O 3.45Å; L901-V904 HydrophobicContact CB-CG2 4.17Å; L901-V904 HydrophobicContact CD2-CG2 4.16Å; L901-L927 HydrophobicContact CD1-CB 3.8Å; L901-L927 HydrophobicContact CD1-CD1 4.48Å; L901-L927 HydrophobicContact CD1-CG 4.32Å; L901-L927 HydrophobicContact CD2-CB 4.07Å; L901-L927 HydrophobicContact CD2-CD1 4.24Å; L901-I930 HydrophobicContact CD1-CD1 3.74Å; L901-L1088 HydrophobicContact CD2-CD1 4.39Å; L901-L1088 HydrophobicContact CD2-CD2 4.05Å; L901-G1091 CarbonylContact C-O 3.55Å; L901-G1091 WeakPolarHBondContact CA-O 3.35Å |
| 902 | C | 86.7 | Confident | 78.6 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 25% | 0.25 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 107.8 | -172.4 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | I899 V904 G1091 K1092 | I899-C902 HydrophobicContact CG2-CB 3.86Å; C902-V904 PolarHBondContact O-N 3.39Å; C902-G1091 PolarHBondContact N-O 3.34Å; C902-K1092 HydrophobicContact CB-CG 4.05Å |
| 903 | N | 85.8 | Confident | 78.7 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.3 | 45.2 | -179.6 | -65 | 0.9 | 0 | 0 | 0 | 113.6 | L889 T890 N905 | L889-N903 PolarHBondContact O-N 3.31Å; T890-N903 WeakPolarHBondContact CG2-OD1 3.48Å; N903-N905 PolarHBondContact O-N 3Å |
| 904 | V | 86.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.9 | -179.1 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | L889 L901 C902 M906 L927 L1088 G1091 V1093 | L889-V904 HydrophobicContact CB-CB 4.39Å; L889-V904 PolarHBondContact N-O 3.43Å; L889-V904 PolarHBondContact O-N 3.08Å; L901-V904 HydrophobicContact CB-CG2 4.17Å; L901-V904 HydrophobicContact CD2-CG2 4.16Å; C902-V904 PolarHBondContact O-N 3.39Å; V904-M906 HydrophobicContact CG1-CE 3.91Å; V904-M906 HydrophobicContact CG1-CG 4.36Å; V904-L927 HydrophobicContact CG1-CD1 3.76Å; V904-L1088 HydrophobicContact CG2-CD1 4.39Å; V904-G1091 WeakPolarHBondContact CG2-O 3.24Å; V904-V1093 HydrophobicContact CG1-CG2 3.91Å |
| 905 | N | 87.6 | Confident | 80.8 | Confident | 88 Ų | 88 | 54.3 Ų | 54.3 | 47% | 0.471 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.1 | 175.7 | -69.5 | -23.4 | 0 | 0 | 0 | 108.9 | V886 N888 N903 | V886-N905 VanDerWaalsContact O-CA 3.29Å; V886-N905 WeakPolarHBondContact O-CA 3.4Å; N888-N905 WeakPolarHBondContact CA-OD1 3.33Å; N888-N905 PolarHBondContact N-OD1 3.3Å; N888-N905 PolarHBondContact OD1-ND2 3.45Å; N888-N905 PolarHBondContact OD1-OD1 3.49Å; N903-N905 PolarHBondContact O-N 3Å |
| 906 | M | 86.8 | Confident | 82.7 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 144.7 | 177.4 | -73.9 | -165.1 | -70.8 | 0 | 0 | 111.6 | V886 V904 F908 I916 L927 V1093 | V886-M906 WeakPolarHBondContact CB-O 3.37Å; V886-M906 PolarHBondContact N-O 2.81Å; V886-M906 PolarHBondContact O-N 3.28Å; V886-M906 VanDerWaalsContact O-N 3.12Å; V904-M906 HydrophobicContact CG1-CE 3.91Å; V904-M906 HydrophobicContact CG1-CG 4.36Å; M906-F908 HydrophobicContact CB-CE2 4.12Å; M906-F908 HydrophobicContact CB-CZ 4.09Å; M906-F908 HydrophobicContact CE-CZ 3.89Å; M906-F908 HydrophobicContact SD-CZ 4.2Å; M906-I916 HydrophobicContact CE-CD1 4.34Å; M906-L927 HydrophobicContact CE-CD1 3.43Å; M906-L927 VanDerWaalsContact CE-CD1 3.43Å; M906-L927 HydrophobicContact CE-CD2 4.16Å; M906-L927 HydrophobicContact CE-CG 4.47Å; M906-V1093 HydrophobicContact CE-CG2 4.22Å; M906-V1093 HydrophobicContact CG-CG2 3.99Å; M906-V1093 HydrophobicContact SD-CG2 3.84Å |
| 907 | N | 87 | Confident | 84.1 | Confident | 64 Ų | 64 | 47.6 Ų | 47.6 | 34% | 0.342 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 148.6 | 171.5 | -63.2 | -19.3 | 0 | 0 | 0 | 109.7 | Y909 | N907-Y909 HydrophobicContact CB-CE2 3.96Å |
| 908 | F | 88.1 | Confident | 85.1 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.3 | 176.7 | -52.4 | -86.5 | 0 | 0 | 0 | 110.2 | P882 S883 V884 V886 M906 T914 L931 I1069 | P882-F908 CarbonylContact C-O 3.59Å; P882-F908 WeakPolarHBondContact CA-O 3.31Å; S883-F908 PolarHBondContact N-O 3.16Å; S883-F908 PolarHBondContact OG-O 3.26Å; V884-F908 HydrophobicContact CB-CB 4.19Å; V884-F908 HydrophobicContact CB-CD2 3.85Å; V884-F908 HydrophobicContact CB-CG 4.46Å; V884-F908 HydrophobicContact CG1-CD2 3.84Å; V884-F908 HydrophobicContact CG1-CE2 4.37Å; V884-F908 PolarHBondContact N-O 3.2Å; V884-F908 PolarHBondContact O-N 3.12Å; V886-F908 HydrophobicContact CG2-CE2 3.86Å; M906-F908 HydrophobicContact CB-CE2 4.12Å; M906-F908 HydrophobicContact CB-CZ 4.09Å; M906-F908 HydrophobicContact CE-CZ 3.89Å; M906-F908 HydrophobicContact SD-CZ 4.2Å; F908-T914 HydrophobicContact CD1-CG2 4Å; F908-T914 VanDerWaalsContact CD1-OG1 3.3Å; F908-T914 WeakPolarHBondContact CD1-OG1 3.44Å; F908-L931 HydrophobicContact CE2-CD1 4.47Å; F908-I1069 HydrophobicContact CB-CD1 4Å; F908-I1069 HydrophobicContact CB-CG1 4.41Å; F908-I1069 HydrophobicContact CD1-CD1 3.58Å; F908-I1069 HydrophobicContact CD1-CG1 3.74Å; F908-I1069 HydrophobicContact CD1-CG2 4.19Å; F908-I1069 HydrophobicContact CD2-CD1 3.65Å; F908-I1069 HydrophobicContact CE1-CB 4.49Å; F908-I1069 HydrophobicContact CE1-CD1 3.83Å; F908-I1069 HydrophobicContact CE1-CG1 4.08Å; F908-I1069 HydrophobicContact CE1-CG2 3.66Å; F908-I1069 HydrophobicContact CE2-CD1 3.89Å; F908-I1069 HydrophobicContact CG-CD1 3.46Å; F908-I1069 VanDerWaalsContact CG-CD1 3.46Å; F908-I1069 HydrophobicContact CG-CG1 4.05Å; F908-I1069 HydrophobicContact CZ-CD1 3.97Å; F908-I1069 HydrophobicContact CZ-CG2 4.1Å |
| 909 | Y | 84.7 | Confident | 85.5 | Confident | 72 Ų | 72 | 33.7 Ų | 33.7 | 28% | 0.282 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148.6 | -166.2 | -60.5 | -86.4 | 0 | 0 | 0 | 113.3 | L880 P882 N907 Q912 T1067 | L880-Y909 HydrophobicContact CB-CD1 4.06Å; L880-Y909 HydrophobicContact CB-CG 4.49Å; L880-Y909 WeakPolarHBondContact O-CD1 3.36Å; P882-Y909 HydrophobicContact CB-CD1 4.14Å; P882-Y909 HydrophobicContact CB-CE1 3.98Å; N907-Y909 HydrophobicContact CB-CE2 3.96Å; Y909-Q912 WeakPolarHBondContact O-CB 3.4Å; Y909-Q912 PolarHBondContact O-N 2.77Å; Y909-T1067 WeakPolarHBondContact O-CG2 3.46Å |
| 910 | E | 82.9 | Confident | 85.2 | Confident | 57 Ų | 57 | 32.3 Ų | 32.3 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 146.1 | 177.8 | -65.2 | -174.8 | 127.8 | 0 | 0 | 113.3 | S881 Q912 H945 T1067 | S881-E910 PolarHBondContact O-N 3.46Å; S881-E910 VanDerWaalsContact OG-CD 3.32Å; S881-E910 PolarHBondContact OG-OE2 3.5Å; E910-Q912 PolarHBondContact O-N 3.45Å; E910-H945 IonicContact OE1-CE1 3.82Å; E910-T1067 HydrophobicContact CB-CG2 4.48Å; E910-T1067 HydrophobicContact CG-CG2 4.11Å |
| 911 | D | 81 | Confident | 84.6 | Confident | 55 Ų | 55 | 35.4 Ų | 35.4 | 29% | 0.294 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 7.4 | -173 | -83.2 | -66.8 | 0 | 0 | 0 | 117.2 | R1063 K1064 G1065 R1066 L2121 | D911-R1063 WeakPolarHBondContact O-CD 3.46Å; D911-R1063 WeakPolarHBondContact O-CG 3.2Å; D911-R1063 PolarHBondContact O-NE 2.62Å; D911-K1064 VanDerWaalsContact OD1-CA 3.22Å; D911-K1064 WeakPolarHBondContact OD1-CA 3.17Å; D911-G1065 PolarHBondContact OD1-N 2.81Å; D911-R1066 VanDerWaalsContact CA-O 3.31Å; D911-R1066 WeakPolarHBondContact CA-O 3.41Å; D911-R1066 PolarHBondContact N-O 2.84Å; D911-R1066 VanDerWaalsContact N-O 3.07Å; D911-L2121 HydrophobicContact CB-CD1 4.43Å |
| 912 | Q | 83.3 | Confident | 84.2 | Confident | 36 Ų | 36 | 35.8 Ų | 35.8 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | trans | -101.9 | 144.7 | 178 | -60.9 | -175 | 0.1 | 0 | 0 | 114.3 | L880 Y909 E910 T914 I1068 D1083 L2121 | L880-Q912 HydrophobicContact CD1-CG 4.47Å; Y909-Q912 WeakPolarHBondContact O-CB 3.4Å; Y909-Q912 PolarHBondContact O-N 2.77Å; E910-Q912 PolarHBondContact O-N 3.45Å; Q912-T914 HydrophobicContact CB-CG2 4.37Å; Q912-I1068 PolarHBondContact O-N 3.23Å; Q912-I1068 VanDerWaalsContact O-N 3.14Å; Q912-D1083 HydrophobicContact CB-CB 4.27Å; Q912-D1083 HydrophobicContact CG-CB 4.44Å; Q912-L2121 HydrophobicContact CG-CD1 4.26Å | ||
| 913 | I | 87.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.6 | 162.3 | -61.4 | 169.9 | 0 | 0 | 0 | 108.9 | V915 R1063 I1068 L1070 L1081 D1083 Q1084 | I913-V915 HydrophobicContact CG2-CG2 4.23Å; I913-R1063 HydrophobicContact CD1-CG 4.42Å; I913-R1063 HydrophobicContact CG1-CG 4.12Å; I913-I1068 HydrophobicContact CG1-CB 4.1Å; I913-I1068 HydrophobicContact CG1-CD1 4.14Å; I913-I1068 HydrophobicContact CG2-CG2 4.4Å; I913-L1070 HydrophobicContact CG2-CD2 3.7Å; I913-L1081 WeakPolarHBondContact CB-O 3.3Å; I913-L1081 HydrophobicContact CG2-CB 4.35Å; I913-L1081 WeakPolarHBondContact CG2-O 3.37Å; I913-D1083 PolarHBondContact N-OD2 2.69Å; I913-D1083 PolarHBondContact O-N 2.91Å; I913-Q1084 PolarHBondContact O-N 3.23Å |
| 914 | T | 89.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.8 | -178.7 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | F908 Q912 I1068 I1069 L1070 Q1084 | F908-T914 HydrophobicContact CD1-CG2 4Å; F908-T914 VanDerWaalsContact CD1-OG1 3.3Å; F908-T914 WeakPolarHBondContact CD1-OG1 3.44Å; Q912-T914 HydrophobicContact CB-CG2 4.37Å; T914-I1068 PolarHBondContact N-O 2.98Å; T914-I1068 PolarHBondContact OG1-O 3.49Å; T914-I1069 WeakPolarHBondContact O-CA 3.16Å; T914-I1069 WeakPolarHBondContact OG1-CA 3.38Å; T914-L1070 PolarHBondContact O-N 3.28Å; T914-Q1084 CarbonylContact C-O 3.58Å; T914-Q1084 VanDerWaalsContact CA-O 3.3Å; T914-Q1084 WeakPolarHBondContact CA-O 3.16Å; T914-Q1084 HydrophobicContact CG2-CB 4.27Å |
| 915 | V | 91.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.5 | -170.9 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | I913 L917 L1070 S1078 A1082 Q1084 I1085 S1086 | I913-V915 HydrophobicContact CG2-CG2 4.23Å; V915-L917 HydrophobicContact CG1-CG 4.49Å; V915-L1070 CarbonylContact C-O 3.55Å; V915-L1070 WeakPolarHBondContact CA-O 3.47Å; V915-L1070 HydrophobicContact CB-CD1 4.29Å; V915-L1070 HydrophobicContact CB-CG 4.42Å; V915-L1070 HydrophobicContact CG1-CD1 3.66Å; V915-L1070 HydrophobicContact CG1-CG 4.3Å; V915-L1070 HydrophobicContact CG2-CD1 3.94Å; V915-L1070 HydrophobicContact CG2-CD2 4.07Å; V915-L1070 HydrophobicContact CG2-CG 3.86Å; V915-S1078 WeakPolarHBondContact CG1-OG 3.48Å; V915-A1082 HydrophobicContact CB-CB 4.17Å; V915-A1082 HydrophobicContact CG2-CB 3.54Å; V915-Q1084 PolarHBondContact N-O 3.44Å; V915-I1085 HydrophobicContact CB-CG1 4.38Å; V915-I1085 CarbonylContact O-C 3.58Å; V915-I1085 WeakPolarHBondContact O-CA 3.16Å; V915-S1086 PolarHBondContact O-N 3.1Å |
| 916 | I | 91.2 | Very high | 83.7 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.7 | 179 | -51.9 | -179.6 | 0 | 0 | 0 | 109.3 | M906 K924 L927 L928 I1069 L1070 S1072 L1088 | M906-I916 HydrophobicContact CE-CD1 4.34Å; I916-K924 HydrophobicContact CG2-CB 4.18Å; I916-K924 HydrophobicContact CG2-CD 4.08Å; I916-K924 HydrophobicContact CG2-CG 3.93Å; I916-K924 WeakPolarHBondContact O-CD 3.48Å; I916-L927 HydrophobicContact CD1-CD2 3.89Å; I916-L928 HydrophobicContact CD1-CD2 4.43Å; I916-I1069 HydrophobicContact CD1-CG2 3.83Å; I916-I1069 HydrophobicContact CG1-CG2 4.26Å; I916-L1070 PolarHBondContact N-O 3.44Å; I916-S1072 PolarHBondContact O-N 2.91Å; I916-L1088 HydrophobicContact CG2-CB 4.3Å |
| 917 | L | 87.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 166.5 | 175.1 | -73.1 | -179.4 | 0 | 0 | 0 | 111.8 | V915 K924 S1072 M1075 S1078 I1085 S1086 I1087 L1088 L1197 | V915-L917 HydrophobicContact CG1-CG 4.49Å; L917-K924 VanDerWaalsContact C-CD 3.41Å; L917-K924 WeakPolarHBondContact O-CD 3.49Å; L917-S1072 WeakPolarHBondContact CD2-O 3.31Å; L917-M1075 HydrophobicContact CD1-SD 3.76Å; L917-M1075 HydrophobicContact CD2-SD 4.05Å; L917-S1078 WeakPolarHBondContact CD2-OG 3.49Å; L917-I1085 HydrophobicContact CD1-CG2 3.6Å; L917-I1085 HydrophobicContact CG-CG2 4.1Å; L917-S1086 PolarHBondContact N-O 3.42Å; L917-I1087 HydrophobicContact CB-CG1 4.27Å; L917-L1088 WeakPolarHBondContact O-CB 3.5Å; L917-L1088 PolarHBondContact O-N 3.14Å; L917-L1197 HydrophobicContact CD1-CD2 3.25Å |
| 918 | G | 82 | Confident | 83.8 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | trans | 146.4 | 156.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K924 H1073 L1088 | G918-K924 PolarHBondContact O-NZ 2.69Å; G918-H1073 PolarHBondContact O-CE1 3.44Å; G918-H1073 PolarHBondContact O-ND1 2.69Å; G918-L1088 WeakPolarHBondContact CA-O 3.42Å | ||
| 919 | R | 76.6 | Confident | 83.7 | Confident | 61 Ų | 61 | 26.5 Ų | 26.5 | 23% | 0.23 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -64 | 159.3 | 179.7 | -67.1 | 164.4 | 78.5 | -176.7 | 3.9 | 111.2 | G921 A922 F1201 H1209 | R919-G921 PolarHBondContact O-N 3.05Å; R919-G921 VanDerWaalsContact O-N 3.13Å; R919-A922 HydrophobicContact CB-CB 4.42Å; R919-A922 WeakPolarHBondContact O-CB 3.42Å; R919-A922 PolarHBondContact O-N 3.33Å; R919-F1201 HydrophobicContact CG-CE1 4.11Å; R919-F1201 HydrophobicContact CG-CZ 3.93Å; R919-H1209 PolarHBondContact NH1-NE2 2.94Å |
| 920 | N | 72.5 | Confident | 83.7 | Confident | 67 Ų | 67 | 23.4 Ų | 23.4 | 36% | 0.358 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 120.3 | 176.7 | -67.9 | 20.9 | 0 | 0 | 0 | 109 | H1073 D2023 | N920-H1073 PolarHBondContact OD1-CE1 2.97Å; N920-H1073 PolarHBondContact OD1-ND1 3.03Å; N920-H1073 VanDerWaalsContact OD1-ND1 3.11Å; N920-D2023 HydrophobicContact CB-CB 4.24Å |
| 921 | G | 69.6 | Low | 83.9 | Confident | 78 Ų | 78 | 21.1 Ų | 21.1 | 80% | 0.804 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 3.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R919 G923 | R919-G921 PolarHBondContact O-N 3.05Å; R919-G921 VanDerWaalsContact O-N 3.13Å; G921-G923 PolarHBondContact O-N 3.14Å; G921-G923 VanDerWaalsContact O-N 3.1Å |
| 922 | A | 80.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 18.9 Ų | 18.9 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -66.8 | -7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | R919 L1088 G1091 | R919-A922 HydrophobicContact CB-CB 4.42Å; R919-A922 WeakPolarHBondContact O-CB 3.42Å; R919-A922 PolarHBondContact O-N 3.33Å; A922-L1088 WeakPolarHBondContact CB-O 3.24Å; A922-L1088 VanDerWaalsContact O-CD2 3.24Å; A922-L1088 WeakPolarHBondContact O-CD2 3.18Å; A922-G1091 WeakPolarHBondContact O-CA 3.3Å; A922-G1091 PolarHBondContact O-N 3.04Å |
| 923 | G | 80.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 119.9 | -10.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A900 G921 T925 T926 L927 L1088 | A900-G923 WeakPolarHBondContact O-CA 3.34Å; G921-G923 PolarHBondContact O-N 3.14Å; G921-G923 VanDerWaalsContact O-N 3.1Å; G923-T925 PolarHBondContact O-N 3.09Å; G923-T926 CarbonylContact O-C 3.58Å; G923-T926 WeakPolarHBondContact O-CA 3.13Å; G923-T926 WeakPolarHBondContact O-CB 3.41Å; G923-T926 PolarHBondContact O-N 2.68Å; G923-T926 PolarHBondContact O-OG1 2.94Å; G923-L927 PolarHBondContact O-N 3.22Å; G923-L1088 VanDerWaalsContact C-CD2 3.49Å |
| 924 | K | 85.4 | Confident | 82.9 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.022 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -53 | -56.1 | -169.6 | -48.4 | -170.9 | -55.3 | -165.6 | 0 | 114.1 | I916 L917 G918 T926 L927 L928 S1072 H1073 L1088 | I916-K924 HydrophobicContact CG2-CB 4.18Å; I916-K924 HydrophobicContact CG2-CD 4.08Å; I916-K924 HydrophobicContact CG2-CG 3.93Å; I916-K924 WeakPolarHBondContact O-CD 3.48Å; L917-K924 VanDerWaalsContact C-CD 3.41Å; L917-K924 WeakPolarHBondContact O-CD 3.49Å; G918-K924 PolarHBondContact O-NZ 2.69Å; K924-T926 PolarHBondContact O-N 3.48Å; K924-L927 WeakPolarHBondContact O-CB 3.41Å; K924-L927 PolarHBondContact O-N 3.25Å; K924-L928 PolarHBondContact O-N 3.25Å; K924-S1072 PolarHBondContact NZ-O 2.9Å; K924-H1073 WeakPolarHBondContact CE-NE2 3.46Å; K924-H1073 PolarHBondContact NZ-CD2 3.03Å; K924-H1073 PolarHBondContact NZ-CE1 3.1Å; K924-H1073 PolarHBondContact NZ-ND1 2.98Å; K924-H1073 PolarHBondContact NZ-NE2 3.47Å; K924-L1088 HydrophobicContact CG-CB 4.42Å; K924-L1088 HydrophobicContact CG-CD2 3.9Å |
| 925 | T | 82.8 | Confident | 82.3 | Confident | 65 Ų | 65 | 24.6 Ų | 24.6 | 40% | 0.399 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.8 | -33.6 | 175.7 | -15.7 | 0 | 0 | 0 | 0 | 111.8 | G923 S929 D1041 | G923-T925 PolarHBondContact O-N 3.09Å; T925-S929 WeakPolarHBondContact O-CB 3.3Å; T925-S929 PolarHBondContact O-N 3.01Å; T925-S929 PolarHBondContact O-OG 3.44Å; T925-D1041 VanDerWaalsContact CG2-OD2 3.24Å; T925-D1041 WeakPolarHBondContact CG2-OD2 3.21Å |
| 926 | T | 86.1 | Confident | 81.7 | Confident | 22 Ų | 22 | 32 Ų | 32 | 14% | 0.135 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.9 | -27.5 | 178.4 | 81.3 | 0 | 0 | 0 | 0 | 112 | Y893 A900 G923 K924 S929 I930 | Y893-T926 HydrophobicContact CE2-CG2 3.95Å; Y893-T926 WeakPolarHBondContact OH-CG2 3.28Å; A900-T926 HydrophobicContact CB-CG2 4.22Å; G923-T926 CarbonylContact O-C 3.58Å; G923-T926 WeakPolarHBondContact O-CA 3.13Å; G923-T926 WeakPolarHBondContact O-CB 3.41Å; G923-T926 PolarHBondContact O-N 2.68Å; G923-T926 PolarHBondContact O-OG1 2.94Å; K924-T926 PolarHBondContact O-N 3.48Å; T926-S929 WeakPolarHBondContact CA-OG 3.28Å; T926-S929 PolarHBondContact O-OG 3.11Å; T926-I930 VanDerWaalsContact O-CD1 3.25Å; T926-I930 WeakPolarHBondContact O-CD1 3.4Å; T926-I930 WeakPolarHBondContact O-CG1 3.25Å; T926-I930 PolarHBondContact O-N 3.46Å |
| 927 | L | 88.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75.7 | -49.1 | 173 | -171.8 | 149.1 | 0 | 0 | 0 | 110.7 | L901 V904 M906 I916 G923 K924 S929 I930 L931 | L901-L927 HydrophobicContact CD1-CB 3.8Å; L901-L927 HydrophobicContact CD1-CD1 4.48Å; L901-L927 HydrophobicContact CD1-CG 4.32Å; L901-L927 HydrophobicContact CD2-CB 4.07Å; L901-L927 HydrophobicContact CD2-CD1 4.24Å; V904-L927 HydrophobicContact CG1-CD1 3.76Å; M906-L927 HydrophobicContact CE-CD1 3.43Å; M906-L927 VanDerWaalsContact CE-CD1 3.43Å; M906-L927 HydrophobicContact CE-CD2 4.16Å; M906-L927 HydrophobicContact CE-CG 4.47Å; I916-L927 HydrophobicContact CD1-CD2 3.89Å; G923-L927 PolarHBondContact O-N 3.22Å; K924-L927 WeakPolarHBondContact O-CB 3.41Å; K924-L927 PolarHBondContact O-N 3.25Å; L927-S929 VanDerWaalsContact C-N 3.33Å; L927-S929 PolarHBondContact O-N 3.39Å; L927-I930 PolarHBondContact O-N 3.08Å; L927-L931 HydrophobicContact CD2-CD1 3.63Å; L927-L931 HydrophobicContact CD2-CG 4Å; L927-L931 PolarHBondContact O-N 3.47Å |
| 928 | L | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.3 | -46.8 | 175.1 | -70.7 | -174.9 | 0 | 0 | 0 | 111.2 | I916 K924 I930 L931 V932 L1039 D1041 I1069 | I916-L928 HydrophobicContact CD1-CD2 4.43Å; K924-L928 PolarHBondContact O-N 3.25Å; L928-I930 PolarHBondContact O-N 3.25Å; L928-L931 HydrophobicContact CD2-CD1 4.35Å; L928-L931 WeakPolarHBondContact O-CB 3.48Å; L928-L931 PolarHBondContact O-N 3.13Å; L928-L931 VanDerWaalsContact O-N 3.08Å; L928-V932 VanDerWaalsContact O-CG2 3.25Å; L928-V932 WeakPolarHBondContact O-CG2 3.4Å; L928-V932 PolarHBondContact O-N 3.26Å; L928-L1039 HydrophobicContact CD2-CD2 4.4Å; L928-D1041 HydrophobicContact CD1-CB 3.92Å; L928-I1069 HydrophobicContact CD2-CG2 4.06Å |
| 929 | S | 84.5 | Confident | 81.3 | Confident | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -16 | 178 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | T925 T926 L927 G933 I934 L935 | T925-S929 WeakPolarHBondContact O-CB 3.3Å; T925-S929 PolarHBondContact O-N 3.01Å; T925-S929 PolarHBondContact O-OG 3.44Å; T926-S929 WeakPolarHBondContact CA-OG 3.28Å; T926-S929 PolarHBondContact O-OG 3.11Å; L927-S929 VanDerWaalsContact C-N 3.33Å; L927-S929 PolarHBondContact O-N 3.39Å; S929-G933 PolarHBondContact O-N 3.09Å; S929-I934 WeakPolarHBondContact O-CB 3.34Å; S929-I934 PolarHBondContact O-N 3.48Å; S929-L935 PolarHBondContact O-N 3.08Å; S929-L935 WeakPolarHBondContact OG-CD1 3.38Å |
| 930 | I | 86.5 | Confident | 81.6 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -83.5 | -38.7 | 166.7 | -62.7 | 162.2 | 0 | 0 | 0 | 111.4 | L889 K891 L901 T926 L927 L928 V932 G933 L935 P937 I942 | L889-I930 HydrophobicContact CD1-CG2 4.01Å; L889-I930 HydrophobicContact CD2-CD1 4.05Å; K891-I930 HydrophobicContact CB-CD1 3.86Å; K891-I930 HydrophobicContact CD-CD1 4.08Å; K891-I930 HydrophobicContact CG-CD1 3.95Å; L901-I930 HydrophobicContact CD1-CD1 3.74Å; T926-I930 VanDerWaalsContact O-CD1 3.25Å; T926-I930 WeakPolarHBondContact O-CD1 3.4Å; T926-I930 WeakPolarHBondContact O-CG1 3.25Å; T926-I930 PolarHBondContact O-N 3.46Å; L927-I930 PolarHBondContact O-N 3.08Å; L928-I930 PolarHBondContact O-N 3.25Å; I930-V932 VanDerWaalsContact C-N 3.31Å; I930-V932 PolarHBondContact O-N 2.97Å; I930-G933 PolarHBondContact O-N 3.49Å; I930-L935 WeakPolarHBondContact CA-O 3.5Å; I930-L935 HydrophobicContact CG1-CB 3.62Å; I930-L935 WeakPolarHBondContact CG1-O 3.47Å; I930-P937 HydrophobicContact CG2-CB 4.18Å; I930-P937 HydrophobicContact CG2-CG 4.42Å; I930-I942 HydrophobicContact CG2-CD1 3.76Å |
| 931 | L | 85.2 | Confident | 82.1 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -39 | 172 | -67.8 | 178.5 | 0 | 0 | 0 | 112.1 | V884 V886 F908 L927 L928 G933 I942 L960 L1039 I1069 | V884-L931 HydrophobicContact CG1-CD2 4.03Å; V886-L931 HydrophobicContact CG2-CD2 3.94Å; F908-L931 HydrophobicContact CE2-CD1 4.47Å; L927-L931 HydrophobicContact CD2-CD1 3.63Å; L927-L931 HydrophobicContact CD2-CG 4Å; L927-L931 PolarHBondContact O-N 3.47Å; L928-L931 HydrophobicContact CD2-CD1 4.35Å; L928-L931 WeakPolarHBondContact O-CB 3.48Å; L928-L931 PolarHBondContact O-N 3.13Å; L928-L931 VanDerWaalsContact O-N 3.08Å; L931-G933 VanDerWaalsContact C-N 3.26Å; L931-G933 PolarHBondContact O-N 2.99Å; L931-I942 HydrophobicContact CD2-CD1 3.9Å; L931-I942 HydrophobicContact CD2-CG1 4.29Å; L931-I942 HydrophobicContact CD2-CG2 4.03Å; L931-L960 WeakPolarHBondContact O-CD1 3.35Å; L931-L1039 HydrophobicContact CB-CD1 3.64Å; L931-L1039 HydrophobicContact CD1-CD2 4.14Å; L931-I1069 HydrophobicContact CD1-CD1 4.01Å |
| 932 | V | 82.4 | Confident | 82.7 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.7 | 173 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | I629 L928 I930 I934 L960 Y962 L1039 | I629-V932 HydrophobicContact CB-CG1 4.17Å; I629-V932 HydrophobicContact CD1-CG1 4.01Å; I629-V932 HydrophobicContact CG1-CG1 3.8Å; I629-V932 HydrophobicContact CG2-CG1 3.44Å; I629-V932 VanDerWaalsContact CG2-CG1 3.44Å; L928-V932 VanDerWaalsContact O-CG2 3.25Å; L928-V932 WeakPolarHBondContact O-CG2 3.4Å; L928-V932 PolarHBondContact O-N 3.26Å; I930-V932 VanDerWaalsContact C-N 3.31Å; I930-V932 PolarHBondContact O-N 2.97Å; V932-I934 HydrophobicContact CB-CD1 4.2Å; V932-I934 HydrophobicContact CB-CG1 4.19Å; V932-I934 HydrophobicContact CG1-CD1 3.85Å; V932-I934 HydrophobicContact CG1-CG1 3.77Å; V932-L960 HydrophobicContact CG1-CD2 4.47Å; V932-Y962 HydrophobicContact CG1-CG 4.48Å; V932-Y962 HydrophobicContact CG2-CD2 3.49Å; V932-Y962 VanDerWaalsContact CG2-CD2 3.49Å; V932-Y962 HydrophobicContact CG2-CE2 3.78Å; V932-Y962 HydrophobicContact CG2-CG 3.88Å; V932-L1039 HydrophobicContact CB-CD1 4.47Å; V932-L1039 HydrophobicContact CG2-CB 4.49Å; V932-L1039 HydrophobicContact CG2-CD1 3.52Å |
| 933 | G | 74.8 | Confident | 82.9 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 11.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S929 I930 L931 L935 | S929-G933 PolarHBondContact O-N 3.09Å; I930-G933 PolarHBondContact O-N 3.49Å; L931-G933 VanDerWaalsContact C-N 3.26Å; L931-G933 PolarHBondContact O-N 2.99Å; G933-L935 VanDerWaalsContact C-N 3.29Å |
| 934 | I | 74.4 | Confident | 82.8 | Confident | 86 Ų | 86 | 41.4 Ų | 41.4 | 44% | 0.441 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -66.7 | -36.3 | 171 | -58.4 | 164.9 | 0 | 0 | 0 | 110 | I629 S929 V932 | I629-I934 HydrophobicContact CD1-CD1 3.8Å; I629-I934 HydrophobicContact CD1-CG1 4.32Å; I629-I934 HydrophobicContact CG1-CD1 4.09Å; I629-I934 HydrophobicContact CG1-CG1 4.04Å; S929-I934 WeakPolarHBondContact O-CB 3.34Å; S929-I934 PolarHBondContact O-N 3.48Å; V932-I934 HydrophobicContact CB-CD1 4.2Å; V932-I934 HydrophobicContact CB-CG1 4.19Å; V932-I934 HydrophobicContact CG1-CD1 3.85Å; V932-I934 HydrophobicContact CG1-CG1 3.77Å |
| 935 | L | 77 | Confident | 82.1 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -115.9 | 132 | 176.1 | -63 | -179.3 | 0 | 0 | 0 | 110 | Y893 S929 I930 G933 | Y893-L935 WeakPolarHBondContact OH-CD1 3.3Å; S929-L935 PolarHBondContact O-N 3.08Å; S929-L935 WeakPolarHBondContact OG-CD1 3.38Å; I930-L935 WeakPolarHBondContact CA-O 3.5Å; I930-L935 HydrophobicContact CG1-CB 3.62Å; I930-L935 WeakPolarHBondContact CG1-O 3.47Å; G933-L935 VanDerWaalsContact C-N 3.29Å |
| 936 | Q | 78.4 | Confident | 81.4 | Confident | 155 Ų | 155 | 45.4 Ų | 45.4 | 72% | 0.724 | 26% | 0.259 | S | S | * | . | trans | -76.6 | 142.6 | 167.8 | -67.5 | 175.7 | -14.2 | 0 | 0 | 110.3 | K891 | K891-Q936 PolarHBondContact NZ-O 2.96Š| ||
| 937 | P | 84.4 | Confident | 80.5 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 17% | 0.169 | 26% | 0.263 | C | S | . | . | trans | -65.1 | 156 | 171.8 | 29.4 | -34.2 | 0 | 0 | 0 | 110.9 | L889 I930 | L889-P937 HydrophobicContact CG-CB 4.31Å; I930-P937 HydrophobicContact CG2-CB 4.18Å; I930-P937 HydrophobicContact CG2-CG 4.42Å | ||
| 938 | T | 86 | Confident | 79.5 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -81.9 | -41.2 | 172.5 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | T890 I892 | T890-T938 WeakPolarHBondContact O-CB 3.39Å; T890-T938 PolarHBondContact O-N 3.02Å; I892-T938 HydrophobicContact CD1-CG2 4.47Å; I892-T938 HydrophobicContact CG1-CG2 4.34Å; I892-T938 PolarHBondContact N-OG1 2.82Å; I892-T938 VanDerWaalsContact N-OG1 3.09Å |
| 939 | Q | 83.3 | Confident | 78.3 | Confident | 122 Ų | 122 | 49.5 Ų | 49.5 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 169.2 | 168.7 | -56.5 | 164 | -53 | 0 | 0 | 109.1 | L889 T890 | L889-Q939 WeakPolarHBondContact CA-O 3.42Å; T890-Q939 HydrophobicContact CG2-CB 4.36Å; T890-Q939 PolarHBondContact N-O 3.49Å; T890-Q939 PolarHBondContact O-N 3.16Å; T890-Q939 VanDerWaalsContact OG1-CB 3.27Å; T890-Q939 WeakPolarHBondContact OG1-CB 3.42Å; T890-Q939 PolarHBondContact OG1-N 3.03Å; T890-Q939 PolarHBondContact OG1-OE1 3.02Å |
| 940 | G | 81.8 | Confident | 77.3 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.8 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N887 N888 | N887-G940 CarbonylContact O-C 3.59Å; N887-G940 WeakPolarHBondContact O-CA 3.3Å; N888-G940 WeakPolarHBondContact O-CA 3.19Å; N888-G940 PolarHBondContact O-N 3.09Å |
| 941 | K | 82.6 | Confident | 76 | Confident | 131 Ų | 131 | 62 Ų | 62 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.3 | 179.9 | -64.2 | 174.2 | -173.2 | 166.5 | 0 | 109.4 | N887 | N887-K941 PolarHBondContact N-O 3.13Å; N887-K941 PolarHBondContact O-N 3.28Å |
| 942 | I | 83.8 | Confident | 74.8 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.8 | 164.6 | -58.7 | 152.5 | 0 | 0 | 0 | 107 | V884 I885 V886 L889 I930 L931 M944 V948 T949 | V884-I942 HydrophobicContact CG1-CG2 4Å; I885-I942 CarbonylContact O-C 3.52Å; I885-I942 WeakPolarHBondContact O-CA 3.2Å; V886-I942 HydrophobicContact CG1-CG1 4.32Å; V886-I942 HydrophobicContact CG2-CG1 4.3Å; V886-I942 HydrophobicContact CG2-CG2 4.49Å; L889-I942 HydrophobicContact CD1-CD1 3.72Å; L889-I942 HydrophobicContact CD1-CG1 3.81Å; I930-I942 HydrophobicContact CG2-CD1 3.76Å; L931-I942 HydrophobicContact CD2-CD1 3.9Å; L931-I942 HydrophobicContact CD2-CG1 4.29Å; L931-I942 HydrophobicContact CD2-CG2 4.03Å; I942-M944 HydrophobicContact CG2-CG 3.96Å; I942-V948 WeakPolarHBondContact O-CA 3.01Å; I942-T949 HydrophobicContact CB-CG2 3.6Å; I942-T949 HydrophobicContact CG2-CG2 3.61Å; I942-T949 PolarHBondContact O-N 2.82Å; I942-T949 PolarHBondContact O-OG1 3.2Å |
| 943 | I | 82.7 | Confident | 74 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.3 | 172.8 | -54.2 | 163.8 | 0 | 0 | 0 | 105.8 | V884 I885 E947 V948 | V884-I943 CarbonylContact C-O 3.57Å; V884-I943 WeakPolarHBondContact CA-O 3.3Å; I885-I943 HydrophobicContact CB-CB 4.3Å; I885-I943 PolarHBondContact N-O 3.44Å; I885-I943 PolarHBondContact O-N 3.03Å; I943-E947 CarbonylContact C-O 3.53Å; I943-E947 WeakPolarHBondContact CA-O 3.46Å; I943-V948 HydrophobicContact CG1-CG2 4.3Å |
| 944 | M | 78.5 | Confident | 73.5 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.015 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.8 | 168.2 | -36.3 | -156.3 | -44 | 0 | 0 | 109.7 | S883 V884 I942 G946 E947 T949 L956 L960 V1037 | S883-M944 CarbonylContact O-C 3.58Å; S883-M944 WeakPolarHBondContact O-CA 3.3Å; S883-M944 WeakPolarHBondContact O-CB 2.92Å; V884-M944 HydrophobicContact CB-CG 4.4Å; V884-M944 HydrophobicContact CB-SD 4.36Å; V884-M944 HydrophobicContact CG1-CG 4.05Å; V884-M944 HydrophobicContact CG1-SD 3.94Å; V884-M944 HydrophobicContact CG2-CB 4.16Å; V884-M944 HydrophobicContact CG2-CG 3.96Å; V884-M944 HydrophobicContact CG2-SD 3.56Å; V884-M944 VanDerWaalsContact CG2-SD 3.56Å; I942-M944 HydrophobicContact CG2-CG 3.96Å; M944-G946 PolarHBondContact O-N 3.4Å; M944-E947 PolarHBondContact N-O 2.76Å; M944-E947 PolarHBondContact O-N 3.34Å; M944-T949 HydrophobicContact CG-CG2 4.03Å; M944-L956 HydrophobicContact CB-CD2 3.74Å; M944-L956 HydrophobicContact CE-CB 4.37Å; M944-L956 HydrophobicContact CE-CD2 3.76Å; M944-L956 HydrophobicContact CG-CD2 4.08Å; M944-L960 HydrophobicContact CE-CD1 4.16Å; M944-V1037 HydrophobicContact CE-CB 4.48Å; M944-V1037 HydrophobicContact CE-CG1 4.44Å; M944-V1037 HydrophobicContact CE-CG2 4.26Å |
| 945 | H | 71.2 | Confident | 73 | Confident | 87 Ų | 87 | 72.1 Ų | 72.1 | 40% | 0.403 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 43.3 | -173.5 | -69.3 | -56.8 | 0 | 0 | 0 | 113.5 | S883 E910 E947 S1036 | S883-H945 PolarHBondContact O-N 3.04Å; E910-H945 IonicContact OE1-CE1 3.82Å; H945-E947 PolarHBondContact O-N 2.64Å; H945-E947 VanDerWaalsContact O-N 3.17Å; H945-S1036 PolarHBondContact NE2-OG 3.43Å |
| 946 | G | 68.5 | Low | 72.6 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 69% | 0.691 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -13.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | M944 | M944-G946 PolarHBondContact O-N 3.4Š|
| 947 | E | 67.8 | Low | 72.3 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129.8 | 177.4 | -63.3 | -147.6 | 141.5 | 0 | 0 | 112.6 | I943 M944 H945 T949 R952 | I943-E947 CarbonylContact C-O 3.53Å; I943-E947 WeakPolarHBondContact CA-O 3.46Å; M944-E947 PolarHBondContact N-O 2.76Å; M944-E947 PolarHBondContact O-N 3.34Å; H945-E947 PolarHBondContact O-N 2.64Å; H945-E947 VanDerWaalsContact O-N 3.17Å; E947-T949 PolarHBondContact O-N 2.56Å; E947-R952 VanDerWaalsContact CD-CD 3.43Å; E947-R952 WeakPolarHBondContact OE1-CD 3.17Å; E947-R952 IonicContact OE1-CZ 3.56Å; E947-R952 IonicContact OE1-NE 3.22Å; E947-R952 IonicContact OE1-NH1 3.4Å; E947-R952 PolarHBondContact OE1-NH1 3.44Å; E947-R952 VanDerWaalsContact OE2-CB 3.24Å; E947-R952 WeakPolarHBondContact OE2-CB 3.4Å; E947-R952 WeakPolarHBondContact OE2-CD 3.46Å |
| 948 | V | 68.1 | Low | 71.6 | Confident | 50 Ų | 50 | 67.7 Ų | 67.7 | 30% | 0.303 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 121.8 | 174.1 | -179 | 0 | 0 | 0 | 0 | 110 | I942 I943 N950 K951 | I942-V948 WeakPolarHBondContact O-CA 3.01Å; I943-V948 HydrophobicContact CG1-CG2 4.3Å; V948-N950 VanDerWaalsContact C-N 3.28Å; V948-N950 PolarHBondContact O-N 2.79Å; V948-N950 VanDerWaalsContact O-N 3.12Å; V948-K951 PolarHBondContact O-N 2.76Å |
| 949 | T | 62.2 | Low | 71.2 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -52.4 | -41.9 | -170.2 | 53 | 0 | 0 | 0 | 0 | 114.4 | I942 M944 E947 K951 R952 L956 | I942-T949 HydrophobicContact CB-CG2 3.6Å; I942-T949 HydrophobicContact CG2-CG2 3.61Å; I942-T949 PolarHBondContact O-N 2.82Å; I942-T949 PolarHBondContact O-OG1 3.2Å; M944-T949 HydrophobicContact CG-CG2 4.03Å; E947-T949 PolarHBondContact O-N 2.56Å; T949-K951 PolarHBondContact O-N 2.74Å; T949-R952 PolarHBondContact O-N 2.74Å; T949-L956 HydrophobicContact CG2-CD1 4.05Å |
| 950 | N | 63.7 | Low | 71.2 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -62.8 | -5 | -178.6 | -65 | -3.6 | 0 | 0 | 0 | 114.8 | V948 | V948-N950 VanDerWaalsContact C-N 3.28Å; V948-N950 PolarHBondContact O-N 2.79Å; V948-N950 VanDerWaalsContact O-N 3.12Å |
| 951 | K | 59.4 | Low | 71.4 | Confident | 183 Ų | 183 | 59.9 Ų | 59.9 | 80% | 0.796 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -110.6 | -26.8 | -179.4 | -69.1 | -172 | 175.6 | -176 | 0 | 115.6 | V948 T949 | V948-K951 PolarHBondContact O-N 2.76Å; T949-K951 PolarHBondContact O-N 2.74Å |
| 952 | R | 60.6 | Low | 71.7 | Confident | 145 Ų | 145 | 54.5 Ų | 54.5 | 55% | 0.547 | 28% | 0.283 | S | S | . | . | trans | -146.1 | 48.6 | -166.3 | -75.8 | -175.4 | 172.6 | 178.6 | -0 | 115.1 | E947 T949 D954 V955 L956 | E947-R952 VanDerWaalsContact CD-CD 3.43Å; E947-R952 WeakPolarHBondContact OE1-CD 3.17Å; E947-R952 IonicContact OE1-CZ 3.56Å; E947-R952 IonicContact OE1-NE 3.22Å; E947-R952 IonicContact OE1-NH1 3.4Å; E947-R952 PolarHBondContact OE1-NH1 3.44Å; E947-R952 VanDerWaalsContact OE2-CB 3.24Å; E947-R952 WeakPolarHBondContact OE2-CB 3.4Å; E947-R952 WeakPolarHBondContact OE2-CD 3.46Å; T949-R952 PolarHBondContact O-N 2.74Å; R952-D954 PolarHBondContact O-N 3.45Å; R952-D954 VanDerWaalsContact O-N 3.08Å; R952-V955 HydrophobicContact CB-CB 4.49Å; R952-V955 HydrophobicContact CB-CG2 4.21Å; R952-V955 PolarHBondContact O-N 2.77Å; R952-L956 PolarHBondContact O-N 2.69Å | ||
| 953 | L | 65.6 | Low | 71.9 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -50 | -35.9 | 176.3 | -66.9 | 172.8 | 0 | 0 | 0 | 113.6 | V955 L956 R957 | L953-V955 PolarHBondContact O-N 2.74Å; L953-L956 PolarHBondContact O-N 3.23Å; L953-R957 WeakPolarHBondContact O-CB 3.38Å; L953-R957 WeakPolarHBondContact O-CD 3.46Å; L953-R957 WeakPolarHBondContact O-CG 3.49Å; L953-R957 PolarHBondContact O-N 3.4Å |
| 954 | D | 64.2 | Low | 71.9 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.8 | -31.5 | 177.7 | -58.7 | -5.9 | 0 | 0 | 0 | 114.9 | R14 R17 R952 | R14-D954 IonicContact CZ-OD2 2.79Å; R14-D954 IonicContact NE-OD2 3.48Å; R14-D954 IonicContact NH2-OD2 2.8Å; R14-D954 PolarHBondContact NH2-OD2 3.24Å; R17-D954 PolarHBondContact NH1-O 2.94Å; R952-D954 PolarHBondContact O-N 3.45Å; R952-D954 VanDerWaalsContact O-N 3.08Å |
| 955 | V | 64.3 | Low | 71.8 | Confident | 68 Ų | 68 | 57 Ų | 57 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -84.5 | -49.3 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | R952 L953 R957 N958 | R952-V955 HydrophobicContact CB-CB 4.49Å; R952-V955 HydrophobicContact CB-CG2 4.21Å; R952-V955 PolarHBondContact O-N 2.77Å; L953-V955 PolarHBondContact O-N 2.74Å; V955-R957 VanDerWaalsContact C-N 3.28Å; V955-R957 PolarHBondContact O-N 3.43Å; V955-N958 WeakPolarHBondContact O-CB 3.26Å; V955-N958 PolarHBondContact O-N 3.15Å |
| 956 | L | 67.7 | Low | 71.9 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -38.3 | -177 | -63.4 | 158.1 | 0 | 0 | 0 | 111.8 | M944 T949 R952 L953 N958 V959 L960 | M944-L956 HydrophobicContact CB-CD2 3.74Å; M944-L956 HydrophobicContact CE-CB 4.37Å; M944-L956 HydrophobicContact CE-CD2 3.76Å; M944-L956 HydrophobicContact CG-CD2 4.08Å; T949-L956 HydrophobicContact CG2-CD1 4.05Å; R952-L956 PolarHBondContact O-N 2.69Å; L953-L956 PolarHBondContact O-N 3.23Å; L956-N958 PolarHBondContact O-N 3.18Å; L956-V959 PolarHBondContact O-N 2.66Å; L956-L960 VanDerWaalsContact O-CB 3.28Å; L956-L960 WeakPolarHBondContact O-CB 3.32Å; L956-L960 PolarHBondContact O-N 3.15Å |
| 957 | R | 73.1 | Confident | 72.2 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -15.5 | 175.6 | -72.6 | 169.1 | 154.2 | 155.7 | -10.7 | 115.2 | S628 I629 L953 V955 | S628-R957 PolarHBondContact O-NH2 3.2Å; I629-R957 WeakPolarHBondContact O-CD 3.45Å; I629-R957 VanDerWaalsContact O-CG 3.26Å; I629-R957 WeakPolarHBondContact O-CG 3.43Å; I629-R957 PolarHBondContact O-NE 2.72Å; L953-R957 WeakPolarHBondContact O-CB 3.38Å; L953-R957 WeakPolarHBondContact O-CD 3.46Å; L953-R957 WeakPolarHBondContact O-CG 3.49Å; L953-R957 PolarHBondContact O-N 3.4Å; V955-R957 VanDerWaalsContact C-N 3.28Å; V955-R957 PolarHBondContact O-N 3.43Å |
| 958 | N | 69.2 | Low | 72.6 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -81 | -40.1 | 171.2 | -61.4 | -10.6 | 0 | 0 | 0 | 111 | R17 V955 L956 S1035 | R17-N958 PolarHBondContact NH1-OD1 3.43Å; R17-N958 PolarHBondContact NH2-OD1 3.25Å; V955-N958 WeakPolarHBondContact O-CB 3.26Å; V955-N958 PolarHBondContact O-N 3.15Å; L956-N958 PolarHBondContact O-N 3.18Å; N958-S1035 PolarHBondContact O-OG 3.26Å |
| 959 | V | 77.2 | Confident | 73.4 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -81.6 | -23.2 | -175.3 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | L956 S1035 S1036 V1037 | L956-V959 PolarHBondContact O-N 2.66Å; V959-S1035 CarbonylContact O-C 3.55Å; V959-S1035 WeakPolarHBondContact O-CA 3.44Å; V959-S1035 WeakPolarHBondContact O-CB 3.31Å; V959-S1036 WeakPolarHBondContact CG1-OG 3.34Å; V959-S1036 PolarHBondContact O-N 2.98Å; V959-V1037 HydrophobicContact CG1-CG2 4.42Å; V959-V1037 PolarHBondContact O-N 3.48Å; V959-V1037 VanDerWaalsContact O-N 3.1Å |
| 960 | L | 84.1 | Confident | 74.5 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 133.1 | -178.1 | -168.4 | 151.1 | 0 | 0 | 0 | 112.8 | L931 V932 M944 L956 S1035 V1037 L1039 | L931-L960 WeakPolarHBondContact O-CD1 3.35Å; V932-L960 HydrophobicContact CG1-CD2 4.47Å; M944-L960 HydrophobicContact CE-CD1 4.16Å; L956-L960 VanDerWaalsContact O-CB 3.28Å; L956-L960 WeakPolarHBondContact O-CB 3.32Å; L956-L960 PolarHBondContact O-N 3.15Å; L960-S1035 PolarHBondContact O-OG 3.35Å; L960-V1037 CarbonylContact C-O 3.59Å; L960-V1037 VanDerWaalsContact CA-O 3.28Å; L960-V1037 WeakPolarHBondContact CA-O 3.37Å; L960-L1039 HydrophobicContact CD1-CD1 3.73Å; L960-L1039 HydrophobicContact CD1-CG 4.48Å; L960-L1039 HydrophobicContact CD2-CD1 4.29Å; L960-L1039 HydrophobicContact CG-CD1 4.14Å; L960-L1039 HydrophobicContact CG-CG 4.44Å |
| 961 | G | 86.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1030 V1037 I1038 L1039 | G961-A1030 WeakPolarHBondContact CA-O 3.46Å; G961-V1037 PolarHBondContact N-O 2.85Å; G961-I1038 WeakPolarHBondContact O-CA 3.44Å; G961-L1039 PolarHBondContact O-N 3.27Å |
| 962 | Y | 87.8 | Confident | 76.5 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 134.6 | 179.3 | 178.1 | -115.7 | 0 | 0 | 0 | 112.2 | Y626 I629 V932 P964 L1039 D1041 | Y626-Y962 HydrophobicContact CE2-CD1 4.36Å; I629-Y962 HydrophobicContact CD1-CD1 3.4Å; I629-Y962 HydrophobicContact CD1-CE1 3.64Å; I629-Y962 HydrophobicContact CD1-CG 4.4Å; V932-Y962 HydrophobicContact CG1-CG 4.48Å; V932-Y962 HydrophobicContact CG2-CD2 3.49Å; V932-Y962 VanDerWaalsContact CG2-CD2 3.49Å; V932-Y962 HydrophobicContact CG2-CE2 3.78Å; V932-Y962 HydrophobicContact CG2-CG 3.88Å; Y962-P964 HydrophobicContact CD1-CG 4.48Å; Y962-P964 HydrophobicContact CE1-CB 3.66Å; Y962-P964 HydrophobicContact CE1-CG 3.99Å; Y962-L1039 CarbonylContact C-O 3.59Å; Y962-L1039 VanDerWaalsContact CA-O 3.28Å; Y962-L1039 WeakPolarHBondContact CA-O 3.41Å; Y962-L1039 HydrophobicContact CD2-CB 3.9Å; Y962-L1039 WeakPolarHBondContact CD2-O 3.29Å; Y962-D1041 HydrophobicContact CE2-CB 4.33Å |
| 963 | C | 87.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 116.6 | 167.1 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | A1030 L1039 L1040 D1041 | C963-A1030 HydrophobicContact CB-CB 4.15Å; C963-L1039 PolarHBondContact N-O 3.06Å; C963-L1040 HydrophobicContact CB-CD2 3.56Å; C963-D1041 PolarHBondContact O-N 3.3Å |
| 964 | P | 82.4 | Confident | 78.9 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | trans | -78.5 | 168.1 | 176.2 | 25.2 | -25 | 0 | 0 | 0 | 113 | Y626 Y962 Y966 I968 R1023 D1041 | Y626-P964 HydrophobicContact CD2-CG 4.47Å; Y626-P964 HydrophobicContact CE2-CG 4.47Å; Y962-P964 HydrophobicContact CD1-CG 4.48Å; Y962-P964 HydrophobicContact CE1-CB 3.66Å; Y962-P964 HydrophobicContact CE1-CG 3.99Å; P964-Y966 HydrophobicContact CB-CD1 4.49Å; P964-Y966 HydrophobicContact CB-CE1 4.32Å; P964-Y966 PolarHBondContact O-N 3.34Å; P964-Y966 VanDerWaalsContact O-N 3.1Å; P964-I968 HydrophobicContact CB-CD1 4.4Å; P964-I968 HydrophobicContact CG-CD1 3.56Å; P964-I968 HydrophobicContact CG-CG1 3.87Å; P964-R1023 VanDerWaalsContact O-CZ 3.29Å; P964-R1023 PolarHBondContact O-NH1 2.88Å; P964-R1023 PolarHBondContact O-NH2 3.25Å; P964-D1041 CarbonylContact C-O 3.59Å | ||
| 965 | Q | 77.5 | Confident | 80.1 | Confident | 98 Ų | 98 | 33 Ų | 33 | 46% | 0.458 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -54 | -27.6 | 176 | -174.1 | -175.6 | 45.3 | 0 | 0 | 114.8 | D1041 E1042 | Q965-D1041 VanDerWaalsContact CA-O 3.28Å; Q965-D1041 WeakPolarHBondContact CA-O 3.28Å; Q965-D1041 PolarHBondContact N-O 2.94Å; Q965-E1042 HydrophobicContact CG-CB 4.2Å; Q965-E1042 PolarHBondContact NE2-OE1 3.38Å; Q965-E1042 PolarHBondContact NE2-OE2 2.99Å |
| 966 | Y | 73.2 | Confident | 81.4 | Confident | 88 Ų | 88 | 30.5 Ų | 30.5 | 35% | 0.345 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -118.7 | 147.4 | -177.4 | 58 | -78.4 | 0 | 0 | 0 | 111.4 | R622 P964 I968 | R622-Y966 HydrophobicContact CB-CE2 4.21Å; R622-Y966 WeakPolarHBondContact CD-OH 3.31Å; P964-Y966 HydrophobicContact CB-CD1 4.49Å; P964-Y966 HydrophobicContact CB-CE1 4.32Å; P964-Y966 PolarHBondContact O-N 3.34Å; P964-Y966 VanDerWaalsContact O-N 3.1Å; Y966-I968 HydrophobicContact CD2-CD1 4.17Å; Y966-I968 HydrophobicContact CD2-CG1 3.66Å; Y966-I968 HydrophobicContact CE2-CD1 3.45Å; Y966-I968 VanDerWaalsContact CE2-CD1 3.45Å; Y966-I968 HydrophobicContact CE2-CG1 3.4Å; Y966-I968 VanDerWaalsContact CE2-CG1 3.4Å; Y966-I968 PolarHBondContact O-N 3.41Å; Y966-I968 VanDerWaalsContact O-N 3.08Å |
| 967 | D | 74.7 | Confident | 82.5 | Confident | 49 Ų | 49 | 31.4 Ų | 31.4 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | trans | -77.7 | 97.5 | -172.5 | -68.7 | -19.6 | 0 | 0 | 0 | 112.5 | L969 R1022 R1023 S1026 | D967-L969 HydrophobicContact CB-CD1 4.34Å; D967-L969 HydrophobicContact CB-CG 4.47Å; D967-L969 PolarHBondContact O-N 2.74Å; D967-R1022 HydrophobicContact CB-CB 4.37Å; D967-R1022 VanDerWaalsContact OD2-C 3.25Å; D967-R1022 VanDerWaalsContact OD2-CB 3.24Å; D967-R1022 WeakPolarHBondContact OD2-CB 3.45Å; D967-R1023 WeakPolarHBondContact OD1-CD 3.5Å; D967-R1023 IonicContact OD1-CZ 3.92Å; D967-R1023 IonicContact OD1-NE 2.72Å; D967-R1023 IonicContact OD1-NH1 3.68Å; D967-R1023 PolarHBondContact OD1-NH1 3.45Å; D967-R1023 WeakPolarHBondContact OD2-CA 3.48Å; D967-R1023 PolarHBondContact OD2-N 3.17Å; D967-S1026 WeakPolarHBondContact OD1-CB 3.39Å | ||
| 968 | I | 76.5 | Confident | 83.3 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.036 | 15% | 0.149 | C | C | . | . | trans | -81.5 | 83.3 | 178.4 | -52.6 | -177.7 | 0 | 0 | 0 | 110 | L623 Y626 P964 Y966 | L623-I968 HydrophobicContact CD2-CG2 3.56Å; L623-I968 HydrophobicContact CG-CG2 4.16Å; Y626-I968 HydrophobicContact CD1-CB 4.03Å; Y626-I968 HydrophobicContact CD1-CG2 3.71Å; Y626-I968 HydrophobicContact CD2-CD1 4.06Å; Y626-I968 HydrophobicContact CE1-CB 4.48Å; Y626-I968 HydrophobicContact CG-CB 4.05Å; Y626-I968 HydrophobicContact CG-CD1 4.01Å; Y626-I968 HydrophobicContact CG-CG2 3.81Å; P964-I968 HydrophobicContact CB-CD1 4.4Å; P964-I968 HydrophobicContact CG-CD1 3.56Å; P964-I968 HydrophobicContact CG-CG1 3.87Å; Y966-I968 HydrophobicContact CD2-CD1 4.17Å; Y966-I968 HydrophobicContact CD2-CG1 3.66Å; Y966-I968 HydrophobicContact CE2-CD1 3.45Å; Y966-I968 VanDerWaalsContact CE2-CD1 3.45Å; Y966-I968 HydrophobicContact CE2-CG1 3.4Å; Y966-I968 VanDerWaalsContact CE2-CG1 3.4Å; Y966-I968 PolarHBondContact O-N 3.41Å; Y966-I968 VanDerWaalsContact O-N 3.08Å | ||
| 969 | L | 83.9 | Confident | 84.3 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 9% | 0.089 | 13% | 0.132 | C | C | . | . | trans | -125.2 | 150.5 | -179.4 | -61.9 | 174.5 | 0 | 0 | 0 | 110.9 | D967 D971 T1014 R1022 L1025 L1029 | D967-L969 HydrophobicContact CB-CD1 4.34Å; D967-L969 HydrophobicContact CB-CG 4.47Å; D967-L969 PolarHBondContact O-N 2.74Å; L969-D971 PolarHBondContact O-N 2.92Å; L969-T1014 HydrophobicContact CB-CG2 4.41Å; L969-T1014 HydrophobicContact CD1-CG2 4.2Å; L969-R1022 HydrophobicContact CD1-CB 3.88Å; L969-R1022 HydrophobicContact CD1-CG 4.22Å; L969-L1025 HydrophobicContact CD1-CD2 4.22Å; L969-L1025 HydrophobicContact CD2-CD2 4.12Å; L969-L1025 HydrophobicContact CD2-CG 4.14Å; L969-L1029 HydrophobicContact CD2-CD1 3.75Å | ||
| 970 | Y | 85.2 | Confident | 84.8 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | trans | -86.4 | 103.6 | 173 | -70.6 | -89.1 | 0 | 0 | 0 | 109.5 | K28 L32 E618 L623 T972 L973 H978 L981 T1014 | K28-Y970 HydrophobicContact CD-CE1 3.98Å; K28-Y970 HydrophobicContact CD-CE2 4.24Å; K28-Y970 WeakPolarHBondContact CD-OH 3.41Å; L32-Y970 HydrophobicContact CD1-CD1 4.24Å; L32-Y970 HydrophobicContact CD1-CE1 4.14Å; L32-Y970 HydrophobicContact CD2-CD1 4.3Å; E618-Y970 HydrophobicContact CG-CE1 4.41Å; E618-Y970 WeakPolarHBondContact OE1-CE1 3.38Å; E618-Y970 PolarHBondContact OE1-OH 3.3Å; L623-Y970 HydrophobicContact CB-CE1 4.34Å; L623-Y970 HydrophobicContact CD1-CD1 3.86Å; L623-Y970 HydrophobicContact CD1-CE1 3.7Å; L623-Y970 HydrophobicContact CD2-CD1 4.16Å; L623-Y970 HydrophobicContact CD2-CD2 3.92Å; L623-Y970 HydrophobicContact CD2-CE1 4.01Å; L623-Y970 HydrophobicContact CD2-CE2 3.76Å; L623-Y970 HydrophobicContact CD2-CG 4.11Å; L623-Y970 HydrophobicContact CG-CE1 4.23Å; Y970-T972 PolarHBondContact O-N 2.69Å; Y970-L973 HydrophobicContact CD2-CD1 3.93Å; Y970-L973 HydrophobicContact CG-CD1 3.89Å; Y970-L973 HydrophobicContact CG-CG 4.32Å; Y970-L973 PolarHBondContact O-N 2.97Å; Y970-H978 PolarHBondContact N-NE2 2.97Å; Y970-H978 PolarHBondContact O-CE1 2.81Å; Y970-H978 VanDerWaalsContact O-CE1 3.29Å; Y970-L981 HydrophobicContact CD2-CD2 4.33Å; Y970-L981 HydrophobicContact CE2-CD2 4.04Å; Y970-T1014 VanDerWaalsContact C-OG1 3.29Å; Y970-T1014 PolarHBondContact O-OG1 3.32Å | ||
| 971 | D | 82 | Confident | 85 | Confident | 76 Ų | 76 | 24.6 Ų | 24.6 | 41% | 0.406 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -30.6 | -177.7 | -89.4 | -46.9 | 0 | 0 | 0 | 114 | L969 T1014 S1015 R1022 | L969-D971 PolarHBondContact O-N 2.92Å; D971-T1014 WeakPolarHBondContact CA-OG1 3.49Å; D971-T1014 PolarHBondContact N-OG1 3.39Å; D971-S1015 VanDerWaalsContact O-CB 3.29Å; D971-S1015 WeakPolarHBondContact O-CB 3.28Å; D971-S1015 PolarHBondContact O-N 2.99Å; D971-S1015 PolarHBondContact O-OG 2.88Å; D971-S1015 WeakPolarHBondContact OD1-CA 3.35Å; D971-R1022 IonicContact OD1-CZ 2.75Å; D971-R1022 IonicContact OD1-NH1 2.83Å; D971-R1022 PolarHBondContact OD1-NH1 2.86Å; D971-R1022 IonicContact OD1-NH2 3.9Å; D971-R1022 PolarHBondContact OD1-NH2 2.93Å |
| 972 | T | 83.1 | Confident | 85.1 | Confident | 63 Ų | 63 | 24.7 Ų | 24.7 | 39% | 0.387 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -9.1 | -176.9 | 55.7 | 0 | 0 | 0 | 0 | 115.5 | L32 R35 Y970 | L32-T972 WeakPolarHBondContact CD2-OG1 3.47Å; R35-T972 WeakPolarHBondContact CD-O 3.29Å; R35-T972 PolarHBondContact NH1-O 3.18Å; Y970-T972 PolarHBondContact O-N 2.69Å |
| 973 | L | 87.7 | Confident | 85 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -91.6 | 150.3 | 175.1 | -65.5 | -175.9 | 0 | 0 | 0 | 111.3 | L32 Y970 E977 H978 L981 T1014 | L32-L973 HydrophobicContact CD2-CD2 4.36Å; L32-L973 HydrophobicContact CD2-CG 4.41Å; Y970-L973 HydrophobicContact CD2-CD1 3.93Å; Y970-L973 HydrophobicContact CG-CD1 3.89Å; Y970-L973 HydrophobicContact CG-CG 4.32Å; Y970-L973 PolarHBondContact O-N 2.97Å; L973-E977 WeakPolarHBondContact CA-OE2 3.45Å; L973-E977 HydrophobicContact CB-CB 4.3Å; L973-H978 VanDerWaalsContact CB-CE1 3.44Å; L973-H978 WeakPolarHBondContact CB-CE1 3.22Å; L973-L981 HydrophobicContact CD1-CD2 4.07Å; L973-T1014 PolarHBondContact O-N 3.43Å; L973-T1014 VanDerWaalsContact O-N 3.08Å |
| 974 | T | 89.9 | Confident | 84.9 | Confident | 14 Ų | 14 | 25 Ų | 25 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 167.2 | 177.8 | 71 | 0 | 0 | 0 | 0 | 112.6 | A976 E977 H978 N1011 E1012 | T974-A976 VanDerWaalsContact C-N 3.34Å; T974-A976 PolarHBondContact O-N 3.33Å; T974-E977 PolarHBondContact N-OE2 3.05Å; T974-E977 PolarHBondContact O-N 3.48Å; T974-E977 VanDerWaalsContact OG1-CG 3.27Å; T974-E977 WeakPolarHBondContact OG1-CG 3.17Å; T974-E977 PolarHBondContact OG1-N 2.77Å; T974-E977 PolarHBondContact OG1-OE2 3.14Å; T974-H978 PolarHBondContact O-N 2.97Å; T974-H978 PolarHBondContact O-ND1 3.22Å; T974-N1011 WeakPolarHBondContact CG2-O 3.43Å; T974-E1012 WeakPolarHBondContact CA-O 3.38Å; T974-E1012 WeakPolarHBondContact CB-O 3.39Å |
| 975 | V | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | E977 H978 I979 L1001 L1006 K1009 E1012 L1017 L1025 | V975-E977 VanDerWaalsContact C-N 3.33Å; V975-E977 PolarHBondContact O-N 2.9Å; V975-H978 PolarHBondContact O-N 2.85Å; V975-I979 HydrophobicContact CG1-CD1 4.37Å; V975-I979 WeakPolarHBondContact O-CG1 3.38Å; V975-I979 PolarHBondContact O-N 3.2Å; V975-L1001 HydrophobicContact CB-CD2 4.47Å; V975-L1001 HydrophobicContact CG1-CD2 3.54Å; V975-L1006 HydrophobicContact CG1-CD1 4.45Å; V975-K1009 VanDerWaalsContact CG2-O 3.23Å; V975-K1009 WeakPolarHBondContact CG2-O 3.33Å; V975-E1012 PolarHBondContact N-O 3.41Å; V975-L1017 HydrophobicContact CG2-CD1 3.94Å; V975-L1025 HydrophobicContact CG1-CD1 4Å; V975-L1025 HydrophobicContact CG1-CD2 4.27Å; V975-L1025 HydrophobicContact CG2-CD2 4.4Å |
| 976 | A | 90.1 | Very high | 84.9 | Confident | 16 Ų | 16 | 21.1 Ų | 21.1 | 13% | 0.132 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T974 I979 H980 L997 R1010 | T974-A976 VanDerWaalsContact C-N 3.34Å; T974-A976 PolarHBondContact O-N 3.33Å; A976-I979 PolarHBondContact O-N 3.48Å; A976-H980 PolarHBondContact O-N 2.92Å; A976-L997 HydrophobicContact CB-CD1 4.05Å; A976-R1010 HydrophobicContact CB-CG 4.23Å; A976-R1010 PolarHBondContact N-O 3.47Å; A976-R1010 VanDerWaalsContact N-O 3.14Å |
| 977 | E | 91 | Very high | 85.1 | Confident | 31 Ų | 31 | 19.9 Ų | 19.9 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.2 | -35.2 | 179.4 | -72.7 | 167 | 168.7 | 0 | 0 | 113 | W27 R35 L973 T974 V975 H980 L981 | W27-E977 HydrophobicContact CH2-CB 4.25Å; W27-E977 HydrophobicContact CH2-CG 4.16Å; R35-E977 IonicContact CZ-OE1 3.15Å; R35-E977 IonicContact CZ-OE2 2.63Å; R35-E977 IonicContact NH1-OE1 2.77Å; R35-E977 IonicContact NH1-OE2 3.22Å; R35-E977 PolarHBondContact NH1-OE2 3.34Å; R35-E977 IonicContact NH2-OE1 2.88Å; R35-E977 PolarHBondContact NH2-OE1 2.94Å; R35-E977 IonicContact NH2-OE2 3.68Å; R35-E977 PolarHBondContact NH2-OE2 3.47Å; L973-E977 WeakPolarHBondContact CA-OE2 3.45Å; L973-E977 HydrophobicContact CB-CB 4.3Å; T974-E977 PolarHBondContact N-OE2 3.05Å; T974-E977 PolarHBondContact O-N 3.48Å; T974-E977 VanDerWaalsContact OG1-CG 3.27Å; T974-E977 WeakPolarHBondContact OG1-CG 3.17Å; T974-E977 PolarHBondContact OG1-N 2.77Å; T974-E977 PolarHBondContact OG1-OE2 3.14Å; V975-E977 VanDerWaalsContact C-N 3.33Å; V975-E977 PolarHBondContact O-N 2.9Å; E977-H980 PolarHBondContact O-N 2.88Å; E977-L981 VanDerWaalsContact O-CB 3.29Å; E977-L981 WeakPolarHBondContact O-CB 3.47Å; E977-L981 PolarHBondContact O-N 3.19Å |
| 978 | H | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 171.9 | -76.1 | 82.4 | 0 | 0 | 0 | 111.2 | Y970 L973 T974 V975 H980 L981 F982 T1014 L1025 L1029 | Y970-H978 PolarHBondContact N-NE2 2.97Å; Y970-H978 PolarHBondContact O-CE1 2.81Å; Y970-H978 VanDerWaalsContact O-CE1 3.29Å; L973-H978 VanDerWaalsContact CB-CE1 3.44Å; L973-H978 WeakPolarHBondContact CB-CE1 3.22Å; T974-H978 PolarHBondContact O-N 2.97Å; T974-H978 PolarHBondContact O-ND1 3.22Å; V975-H978 PolarHBondContact O-N 2.85Å; H978-H980 VanDerWaalsContact C-N 3.3Å; H978-H980 PolarHBondContact O-N 3.19Å; H978-L981 PolarHBondContact O-N 3.37Å; H978-F982 WeakPolarHBondContact O-CD2 3.12Å; H978-F982 PolarHBondContact O-N 2.97Å; H978-T1014 WeakPolarHBondContact CE1-CG2 3.16Å; H978-L1025 HydrophobicContact CB-CD2 4.46Å; H978-L1029 HydrophobicContact CB-CD1 4.42Å; H978-L1029 HydrophobicContact CB-CD2 4.23Å |
| 979 | I | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | 178 | -67.1 | 171.8 | 0 | 0 | 0 | 110.7 | V975 A976 G983 I993 L997 Y1000 L1001 L1004 F1028 L1032 | V975-I979 HydrophobicContact CG1-CD1 4.37Å; V975-I979 WeakPolarHBondContact O-CG1 3.38Å; V975-I979 PolarHBondContact O-N 3.2Å; A976-I979 PolarHBondContact O-N 3.48Å; I979-G983 WeakPolarHBondContact O-CA 3.48Å; I979-G983 PolarHBondContact O-N 3.4Å; I979-I993 HydrophobicContact CG2-CG2 4.11Å; I979-L997 HydrophobicContact CG2-CD1 4.48Å; I979-Y1000 HydrophobicContact CG2-CD2 4.11Å; I979-L1001 HydrophobicContact CD1-CD2 4.05Å; I979-L1001 HydrophobicContact CD1-CG 4.47Å; I979-L1004 HydrophobicContact CD1-CD1 4.45Å; I979-F1028 HydrophobicContact CD1-CE1 4.3Å; I979-F1028 HydrophobicContact CG1-CE1 4.25Å; I979-L1032 HydrophobicContact CG2-CD2 4.36Å |
| 980 | H | 88.9 | Confident | 85.5 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.125 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -45 | 175.6 | 178.8 | -95.1 | 0 | 0 | 0 | 113.5 | I24 W27 A976 E977 H978 T984 R990 | I24-H980 WeakPolarHBondContact CD1-CE1 3.44Å; W27-H980 AromaticContact CD2-CE1 3.68Å; W27-H980 AromaticContact CE2-CE1 3.65Å; W27-H980 AromaticContact CE3-CE1 3.83Å; W27-H980 HydrophobicContact CH2-CB 4.48Å; W27-H980 AromaticContact CH2-CE1 3.94Å; W27-H980 AromaticContact CH2-ND1 3.26Å; W27-H980 VanDerWaalsContact CH2-ND1 3.26Å; W27-H980 WeakPolarHBondContact CH2-ND1 3.37Å; W27-H980 AromaticContact CZ2-CE1 3.79Å; W27-H980 AromaticContact CZ2-ND1 3.75Å; W27-H980 AromaticContact CZ3-CE1 3.96Å; W27-H980 AromaticContact CZ3-ND1 3.42Å; W27-H980 WeakPolarHBondContact CZ3-ND1 3.41Å; A976-H980 PolarHBondContact O-N 2.92Å; E977-H980 PolarHBondContact O-N 2.88Å; H978-H980 VanDerWaalsContact C-N 3.3Å; H978-H980 PolarHBondContact O-N 3.19Å; H980-T984 WeakPolarHBondContact O-CB 3.13Å; H980-T984 WeakPolarHBondContact O-CG2 3.29Å; H980-T984 PolarHBondContact O-N 3.04Å; H980-T984 PolarHBondContact O-OG1 3.06Å; H980-R990 PolarHBondContact CE1-NH2 3.19Å; H980-R990 WeakPolarHBondContact NE2-CD 3.49Å; H980-R990 WeakPolarHBondContact NE2-CG 3.44Å; H980-R990 PolarHBondContact NE2-NE 3.2Å |
| 981 | L | 88.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -58.5 | 178.8 | 177.3 | 59.1 | 0 | 0 | 0 | 111.2 | I24 W27 K28 Y970 L973 E977 H978 T984 L985 | I24-L981 HydrophobicContact CG1-CD1 3.72Å; W27-L981 HydrophobicContact CZ3-CB 4.39Å; K28-L981 HydrophobicContact CB-CD1 4.43Å; K28-L981 HydrophobicContact CD-CD2 4.5Å; Y970-L981 HydrophobicContact CD2-CD2 4.33Å; Y970-L981 HydrophobicContact CE2-CD2 4.04Å; L973-L981 HydrophobicContact CD1-CD2 4.07Å; E977-L981 VanDerWaalsContact O-CB 3.29Å; E977-L981 WeakPolarHBondContact O-CB 3.47Å; E977-L981 PolarHBondContact O-N 3.19Å; H978-L981 PolarHBondContact O-N 3.37Å; L981-T984 PolarHBondContact O-N 3.48Å; L981-T984 PolarHBondContact O-OG1 3.35Å; L981-T984 VanDerWaalsContact O-OG1 3.13Å; L981-L985 HydrophobicContact CD1-CD1 4.11Å; L981-L985 HydrophobicContact CG-CD1 4.34Å; L981-L985 WeakPolarHBondContact O-CG 3.47Å; L981-L985 PolarHBondContact O-N 3.05Å |
| 982 | F | 87.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -74.6 | -31.1 | -176.1 | -68.6 | -76.3 | 0 | 0 | 0 | 112.7 | Y626 L627 F630 H978 L985 K986 L1029 L1032 | Y626-F982 AromaticContact CD1-CE1 3.9Å; Y626-F982 HydrophobicContact CD1-CE1 3.9Å; Y626-F982 AromaticContact CD1-CZ 3.96Å; Y626-F982 HydrophobicContact CD1-CZ 3.96Å; Y626-F982 HydrophobicContact CE1-CD1 4.32Å; Y626-F982 AromaticContact CE1-CE1 3.51Å; Y626-F982 HydrophobicContact CE1-CE1 3.51Å; Y626-F982 HydrophobicContact CE1-CE2 4.47Å; Y626-F982 AromaticContact CE1-CZ 3.6Å; Y626-F982 HydrophobicContact CE1-CZ 3.6Å; L627-F982 HydrophobicContact CD2-CE1 4.47Å; F630-F982 HydrophobicContact CD2-CD1 4.2Å; F630-F982 HydrophobicContact CD2-CE1 4.14Å; F630-F982 AromaticContact CE2-CD1 3.7Å; F630-F982 HydrophobicContact CE2-CD1 3.7Å; F630-F982 AromaticContact CE2-CE1 3.66Å; F630-F982 HydrophobicContact CE2-CE1 3.66Å; F630-F982 AromaticContact CZ-CD1 3.97Å; F630-F982 HydrophobicContact CZ-CD1 3.97Å; F630-F982 HydrophobicContact CZ-CE1 4.33Å; H978-F982 WeakPolarHBondContact O-CD2 3.12Å; H978-F982 PolarHBondContact O-N 2.97Å; F982-L985 HydrophobicContact CD1-CD1 4.38Å; F982-L985 PolarHBondContact O-N 3.45Å; F982-K986 PolarHBondContact O-N 3.01Å; F982-L1029 HydrophobicContact CB-CD2 4.16Å; F982-L1029 HydrophobicContact CD2-CD1 3.67Å; F982-L1029 HydrophobicContact CD2-CD2 3.96Å; F982-L1029 HydrophobicContact CD2-CG 4.31Å; F982-L1029 HydrophobicContact CE2-CD1 3.89Å; F982-L1029 HydrophobicContact CG-CD1 4.4Å; F982-L1029 HydrophobicContact CG-CD2 4.38Å; F982-L1032 HydrophobicContact CB-CD1 4.09Å |
| 983 | G | 86.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I979 K986 G987 M988 | I979-G983 WeakPolarHBondContact O-CA 3.48Å; I979-G983 PolarHBondContact O-N 3.4Å; G983-K986 PolarHBondContact O-N 3.37Å; G983-G987 PolarHBondContact O-N 3.02Å; G983-M988 VanDerWaalsContact O-CB 3.26Å; G983-M988 WeakPolarHBondContact O-CB 3.39Å; G983-M988 WeakPolarHBondContact O-CG 3.44Å; G983-M988 PolarHBondContact O-N 3.39Å |
| 984 | T | 85.9 | Confident | 85.6 | Confident | 26 Ų | 26 | 30.8 Ų | 30.8 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.7 | -31.7 | 177.4 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | I24 H980 L981 G987 R990 I993 | I24-T984 WeakPolarHBondContact CD1-OG1 3.3Å; I24-T984 WeakPolarHBondContact CG1-OG1 3.36Å; H980-T984 WeakPolarHBondContact O-CB 3.13Å; H980-T984 WeakPolarHBondContact O-CG2 3.29Å; H980-T984 PolarHBondContact O-N 3.04Å; H980-T984 PolarHBondContact O-OG1 3.06Å; L981-T984 PolarHBondContact O-N 3.48Å; L981-T984 PolarHBondContact O-OG1 3.35Å; L981-T984 VanDerWaalsContact O-OG1 3.13Å; T984-G987 WeakPolarHBondContact O-CA 3.43Å; T984-G987 PolarHBondContact O-N 2.89Å; T984-R990 HydrophobicContact CG2-CG 4.13Å; T984-I993 HydrophobicContact CG2-CD1 3.53Å |
| 985 | L | 81.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -36 | 171.6 | -74.3 | 175.1 | 0 | 0 | 0 | 113.1 | I24 L627 I632 L981 F982 G987 | I24-L985 HydrophobicContact CG2-CD2 3.49Å; I24-L985 VanDerWaalsContact CG2-CD2 3.49Å; I24-L985 HydrophobicContact CG2-CG 4Å; L627-L985 HydrophobicContact CD2-CD1 4.15Å; I632-L985 HydrophobicContact CD1-CD1 3.82Å; I632-L985 HydrophobicContact CD1-CD2 3.72Å; I632-L985 HydrophobicContact CD1-CG 4.39Å; I632-L985 HydrophobicContact CG1-CD2 4.39Å; L981-L985 HydrophobicContact CD1-CD1 4.11Å; L981-L985 HydrophobicContact CG-CD1 4.34Å; L981-L985 WeakPolarHBondContact O-CG 3.47Å; L981-L985 PolarHBondContact O-N 3.05Å; F982-L985 HydrophobicContact CD1-CD1 4.38Å; F982-L985 PolarHBondContact O-N 3.45Å; L985-G987 PolarHBondContact O-N 2.75Å |
| 986 | K | 78.5 | Confident | 85.1 | Confident | 18 Ų | 18 | 41 Ų | 41 | 8% | 0.078 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 4.6 | 168.1 | -69.3 | -165.9 | 178.5 | -162.8 | 0 | 114 | F630 F982 G983 A1030 L1032 S1035 | F630-K986 HydrophobicContact CD1-CG 4.32Å; F630-K986 HydrophobicContact CE1-CG 4.37Å; F982-K986 PolarHBondContact O-N 3.01Å; G983-K986 PolarHBondContact O-N 3.37Å; K986-A1030 PolarHBondContact NZ-O 3.41Å; K986-L1032 HydrophobicContact CD-CB 4.17Å; K986-L1032 WeakPolarHBondContact CD-O 3.27Å; K986-L1032 WeakPolarHBondContact CE-O 3.05Å; K986-L1032 PolarHBondContact NZ-O 3.35Å; K986-S1035 PolarHBondContact NZ-OG 3.47Å |
| 987 | G | 75.9 | Confident | 84.9 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 64% | 0.639 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 4.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | G983 T984 L985 | G983-G987 PolarHBondContact O-N 3.02Å; T984-G987 WeakPolarHBondContact O-CA 3.43Å; T984-G987 PolarHBondContact O-N 2.89Å; L985-G987 PolarHBondContact O-N 2.75Å |
| 988 | M | 82.1 | Confident | 84.6 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 14% | 0.143 | 23% | 0.229 | C | C | . | . | trans | -64.9 | 145.3 | 175.8 | -60.1 | -178.5 | 60.6 | 0 | 0 | 111.5 | G983 I993 Y1000 G1033 | G983-M988 VanDerWaalsContact O-CB 3.26Å; G983-M988 WeakPolarHBondContact O-CB 3.39Å; G983-M988 WeakPolarHBondContact O-CG 3.44Å; G983-M988 PolarHBondContact O-N 3.39Å; M988-I993 HydrophobicContact CB-CD1 3.99Å; M988-I993 HydrophobicContact CB-CG1 3.75Å; M988-I993 HydrophobicContact CE-CG1 4Å; M988-I993 HydrophobicContact SD-CG1 4.38Å; M988-Y1000 HydrophobicContact CE-CE2 4.36Å; M988-G1033 PolarHBondContact SD-N 3.15Å | ||
| 989 | S | 81.6 | Confident | 84.4 | Confident | 64 Ų | 64 | 46.4 Ų | 46.4 | 45% | 0.448 | 25% | 0.25 | S | S | . | . | trans | -75.3 | 145.9 | 173.9 | 83.2 | 0 | 0 | 0 | 0 | 110.4 | I991 S992 I993 | S989-I991 PolarHBondContact O-N 3.38Å; S989-S992 PolarHBondContact N-OG 3.05Å; S989-S992 VanDerWaalsContact N-OG 3.14Å; S989-S992 PolarHBondContact O-N 2.94Å; S989-S992 PolarHBondContact O-OG 2.96Å; S989-S992 WeakPolarHBondContact OG-CB 3.3Å; S989-S992 PolarHBondContact OG-N 3.41Å; S989-S992 VanDerWaalsContact OG-N 3.11Å; S989-S992 PolarHBondContact OG-OG 2.94Å; S989-I993 WeakPolarHBondContact O-CG1 3.47Å; S989-I993 PolarHBondContact O-N 3.5Å | ||
| 990 | R | 81 | Confident | 84.1 | Confident | 110 Ų | 110 | 47.8 Ų | 47.8 | 42% | 0.415 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.4 | -35.8 | 177.8 | -70.1 | -175.6 | 172.9 | -179.3 | -4.1 | 112.7 | H980 T984 I993 N994 | H980-R990 PolarHBondContact CE1-NH2 3.19Å; H980-R990 WeakPolarHBondContact NE2-CD 3.49Å; H980-R990 WeakPolarHBondContact NE2-CG 3.44Å; H980-R990 PolarHBondContact NE2-NE 3.2Å; T984-R990 HydrophobicContact CG2-CG 4.13Å; R990-I993 PolarHBondContact O-N 3.36Å; R990-N994 WeakPolarHBondContact O-CB 3.44Å; R990-N994 VanDerWaalsContact O-CG 3.29Å; R990-N994 PolarHBondContact O-N 2.94Å; R990-N994 PolarHBondContact O-OD1 2.92Å |
| 991 | I | 83.9 | Confident | 84 | Confident | 116 Ų | 116 | 46.5 Ų | 46.5 | 60% | 0.595 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -61.9 | -51.6 | 175.4 | -58.6 | 167.8 | 0 | 0 | 0 | 109.8 | S989 I993 N994 Q995 | S989-I991 PolarHBondContact O-N 3.38Å; I991-I993 VanDerWaalsContact C-N 3.28Å; I991-I993 PolarHBondContact O-N 2.98Å; I991-N994 PolarHBondContact O-N 3.3Å; I991-Q995 HydrophobicContact CG2-CG 4.45Å; I991-Q995 WeakPolarHBondContact O-CB 3.3Å; I991-Q995 WeakPolarHBondContact O-CG 3.31Å; I991-Q995 PolarHBondContact O-N 3.15Å |
| 992 | S | 86 | Confident | 83.8 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -25.6 | 179.5 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | S989 K996 | S989-S992 PolarHBondContact N-OG 3.05Å; S989-S992 VanDerWaalsContact N-OG 3.14Å; S989-S992 PolarHBondContact O-N 2.94Å; S989-S992 PolarHBondContact O-OG 2.96Å; S989-S992 WeakPolarHBondContact OG-CB 3.3Å; S989-S992 PolarHBondContact OG-N 3.41Å; S989-S992 VanDerWaalsContact OG-N 3.11Å; S989-S992 PolarHBondContact OG-OG 2.94Å; S992-K996 WeakPolarHBondContact O-CB 3.24Å; S992-K996 WeakPolarHBondContact O-CG 3.33Å |
| 993 | I | 84.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.6 | -54.1 | 171.3 | -64.2 | 167.3 | 0 | 0 | 0 | 109.2 | I979 T984 M988 S989 R990 I991 Q995 K996 L997 | I979-I993 HydrophobicContact CG2-CG2 4.11Å; T984-I993 HydrophobicContact CG2-CD1 3.53Å; M988-I993 HydrophobicContact CB-CD1 3.99Å; M988-I993 HydrophobicContact CB-CG1 3.75Å; M988-I993 HydrophobicContact CE-CG1 4Å; M988-I993 HydrophobicContact SD-CG1 4.38Å; S989-I993 WeakPolarHBondContact O-CG1 3.47Å; S989-I993 PolarHBondContact O-N 3.5Å; R990-I993 PolarHBondContact O-N 3.36Å; I991-I993 VanDerWaalsContact C-N 3.28Å; I991-I993 PolarHBondContact O-N 2.98Å; I993-Q995 VanDerWaalsContact C-N 3.3Å; I993-Q995 PolarHBondContact O-N 3.19Å; I993-K996 CarbonylContact O-C 3.49Å; I993-K996 PolarHBondContact O-N 2.98Å; I993-L997 WeakPolarHBondContact O-CB 3.35Å; I993-L997 PolarHBondContact O-N 3.42Å |
| 994 | N | 84.3 | Confident | 83 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | -177.1 | -71.6 | 7.6 | 0 | 0 | 0 | 112.2 | R990 I991 K996 L997 | R990-N994 WeakPolarHBondContact O-CB 3.44Å; R990-N994 VanDerWaalsContact O-CG 3.29Å; R990-N994 PolarHBondContact O-N 2.94Å; R990-N994 PolarHBondContact O-OD1 2.92Å; I991-N994 PolarHBondContact O-N 3.3Å; N994-K996 VanDerWaalsContact C-N 3.26Å; N994-K996 PolarHBondContact O-N 3.09Å; N994-L997 PolarHBondContact O-N 2.79Å |
| 995 | Q | 85.1 | Confident | 82.7 | Confident | 142 Ų | 142 | 60.4 Ų | 60.4 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.8 | -25.9 | 176.4 | -73.9 | 172.8 | -37 | 0 | 0 | 113.9 | I991 I993 | I991-Q995 HydrophobicContact CG2-CG 4.45Å; I991-Q995 WeakPolarHBondContact O-CB 3.3Å; I991-Q995 WeakPolarHBondContact O-CG 3.31Å; I991-Q995 PolarHBondContact O-N 3.15Å; I993-Q995 VanDerWaalsContact C-N 3.3Å; I993-Q995 PolarHBondContact O-N 3.19Å |
| 996 | K | 84.6 | Confident | 82.8 | Confident | 86 Ų | 86 | 60.4 Ų | 60.4 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -107.6 | -1.2 | -178.2 | -64 | -178.3 | 178.3 | -176 | 0 | 113.2 | S992 I993 N994 D998 D999 Y1000 | S992-K996 WeakPolarHBondContact O-CB 3.24Å; S992-K996 WeakPolarHBondContact O-CG 3.33Å; I993-K996 CarbonylContact O-C 3.49Å; I993-K996 PolarHBondContact O-N 2.98Å; N994-K996 VanDerWaalsContact C-N 3.26Å; N994-K996 PolarHBondContact O-N 3.09Å; K996-D998 PolarHBondContact O-N 3.41Å; K996-D999 WeakPolarHBondContact O-CB 3.14Å; K996-D999 PolarHBondContact O-N 2.97Å; K996-Y1000 HydrophobicContact CB-CD2 4.14Å; K996-Y1000 HydrophobicContact CB-CE1 4.12Å; K996-Y1000 HydrophobicContact CB-CE2 3.69Å; K996-Y1000 WeakPolarHBondContact O-CB 3.49Å; K996-Y1000 WeakPolarHBondContact O-CD2 3.22Å; K996-Y1000 PolarHBondContact O-N 3.26Å |
| 997 | L | 85.7 | Confident | 83.1 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | -171.3 | -177.3 | 139.9 | 0 | 0 | 0 | 111.5 | A976 I979 I993 N994 Y1000 L1001 R1010 | A976-L997 HydrophobicContact CB-CD1 4.05Å; I979-L997 HydrophobicContact CG2-CD1 4.48Å; I993-L997 WeakPolarHBondContact O-CB 3.35Å; I993-L997 PolarHBondContact O-N 3.42Å; N994-L997 PolarHBondContact O-N 2.79Å; L997-Y1000 WeakPolarHBondContact O-CB 3.33Å; L997-Y1000 PolarHBondContact O-N 3.35Å; L997-L1001 HydrophobicContact CD2-CD1 3.61Å; L997-L1001 HydrophobicContact CD2-CG 4.4Å; L997-L1001 HydrophobicContact CG-CD1 4.42Å; L997-L1001 WeakPolarHBondContact O-CG 3.33Å; L997-L1001 PolarHBondContact O-N 2.8Å; L997-R1010 HydrophobicContact CD2-CG 4.47Å |
| 998 | D | 85.2 | Confident | 83.5 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -76.4 | -35.6 | 179 | -68.2 | -55.9 | 0 | 0 | 0 | 112.3 | K996 Y1000 L1001 H1002 R1010 | K996-D998 PolarHBondContact O-N 3.41Å; D998-Y1000 PolarHBondContact O-N 2.75Å; D998-L1001 PolarHBondContact O-N 3.48Å; D998-H1002 VanDerWaalsContact O-CB 3.31Å; D998-H1002 WeakPolarHBondContact O-CB 3.14Å; D998-H1002 PolarHBondContact O-N 3.46Å; D998-R1010 IonicContact OD1-CZ 3.68Å; D998-R1010 IonicContact OD1-NH1 3.75Å; D998-R1010 PolarHBondContact OD1-NH1 2.94Å; D998-R1010 IonicContact OD2-CZ 3.25Å; D998-R1010 IonicContact OD2-NH1 3.57Å; D998-R1010 PolarHBondContact OD2-NH1 3.22Å |
| 999 | D | 85.6 | Confident | 83.7 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -53.4 | -43.1 | 165.3 | -73 | 11.1 | 0 | 0 | 0 | 112 | K996 K1003 | K996-D999 WeakPolarHBondContact O-CB 3.14Å; K996-D999 PolarHBondContact O-N 2.97Å; D999-K1003 WeakPolarHBondContact O-CB 3.28Å; D999-K1003 WeakPolarHBondContact O-CD 3.48Å; D999-K1003 VanDerWaalsContact O-CG 3.31Å; D999-K1003 WeakPolarHBondContact O-CG 3.3Å; D999-K1003 PolarHBondContact O-N 3.26Å |
| 1000 | Y | 84.1 | Confident | 83.9 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 11% | 0.114 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.4 | -42.8 | -178.9 | -67.1 | -23.1 | 0 | 0 | 0 | 111.5 | I979 M988 K996 L997 D998 K1003 L1004 F1028 L1032 | I979-Y1000 HydrophobicContact CG2-CD2 4.11Å; M988-Y1000 HydrophobicContact CE-CE2 4.36Å; K996-Y1000 HydrophobicContact CB-CD2 4.14Å; K996-Y1000 HydrophobicContact CB-CE1 4.12Å; K996-Y1000 HydrophobicContact CB-CE2 3.69Å; K996-Y1000 WeakPolarHBondContact O-CB 3.49Å; K996-Y1000 WeakPolarHBondContact O-CD2 3.22Å; K996-Y1000 PolarHBondContact O-N 3.26Å; L997-Y1000 WeakPolarHBondContact O-CB 3.33Å; L997-Y1000 PolarHBondContact O-N 3.35Å; D998-Y1000 PolarHBondContact O-N 2.75Å; Y1000-K1003 PolarHBondContact O-N 2.79Å; Y1000-L1004 WeakPolarHBondContact O-CB 3.44Å; Y1000-L1004 WeakPolarHBondContact O-CG 3.45Å; Y1000-L1004 PolarHBondContact O-N 3.34Å; Y1000-F1028 HydrophobicContact CD1-CE2 4.11Å; Y1000-F1028 AromaticContact CD1-CZ 3.57Å; Y1000-F1028 HydrophobicContact CD1-CZ 3.57Å; Y1000-F1028 HydrophobicContact CD2-CE1 4.28Å; Y1000-F1028 AromaticContact CD2-CZ 3.89Å; Y1000-F1028 HydrophobicContact CD2-CZ 3.89Å; Y1000-F1028 HydrophobicContact CE1-CZ 4.17Å; Y1000-F1028 HydrophobicContact CE2-CZ 4.46Å; Y1000-F1028 HydrophobicContact CG-CE1 4.08Å; Y1000-F1028 HydrophobicContact CG-CE2 4.29Å; Y1000-F1028 AromaticContact CG-CZ 3.39Å; Y1000-F1028 HydrophobicContact CG-CZ 3.39Å; Y1000-L1032 HydrophobicContact CD2-CD2 4.12Å; Y1000-L1032 HydrophobicContact CE2-CD2 3.78Å |
| 1001 | L | 85.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.7 | -34.4 | 175.2 | -68.8 | 173.8 | 0 | 0 | 0 | 112.6 | V975 I979 L997 D998 L1004 G1005 L1006 I1007 R1010 | V975-L1001 HydrophobicContact CB-CD2 4.47Å; V975-L1001 HydrophobicContact CG1-CD2 3.54Å; I979-L1001 HydrophobicContact CD1-CD2 4.05Å; I979-L1001 HydrophobicContact CD1-CG 4.47Å; L997-L1001 HydrophobicContact CD2-CD1 3.61Å; L997-L1001 HydrophobicContact CD2-CG 4.4Å; L997-L1001 HydrophobicContact CG-CD1 4.42Å; L997-L1001 WeakPolarHBondContact O-CG 3.33Å; L997-L1001 PolarHBondContact O-N 2.8Å; D998-L1001 PolarHBondContact O-N 3.48Å; L1001-L1004 PolarHBondContact O-N 3.13Å; L1001-G1005 PolarHBondContact O-N 2.92Å; L1001-L1006 HydrophobicContact CD2-CB 4.23Å; L1001-L1006 PolarHBondContact O-N 3.5Å; L1001-I1007 HydrophobicContact CB-CG1 4.08Å; L1001-R1010 HydrophobicContact CD1-CB 3.68Å; L1001-R1010 HydrophobicContact CD1-CG 3.62Å |
| 1002 | H | 85.1 | Confident | 84.2 | Confident | 139 Ų | 139 | 68.5 Ų | 68.5 | 64% | 0.644 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 173.8 | -166.8 | -46.9 | 0 | 0 | 0 | 111.6 | D998 L1004 G1005 I1007 | D998-H1002 VanDerWaalsContact O-CB 3.31Å; D998-H1002 WeakPolarHBondContact O-CB 3.14Å; D998-H1002 PolarHBondContact O-N 3.46Å; H1002-L1004 PolarHBondContact O-N 3.24Å; H1002-G1005 PolarHBondContact O-N 3.29Å; H1002-I1007 HydrophobicContact CB-CD1 3.94Å; H1002-I1007 HydrophobicContact CB-CG1 4.42Å |
| 1003 | K | 79.6 | Confident | 84.2 | Confident | 116 Ų | 116 | 72 Ų | 72 | 50% | 0.504 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.4 | -22.7 | 175.4 | -73.3 | 163.6 | -175 | 160.7 | 0 | 113.2 | D999 Y1000 | D999-K1003 WeakPolarHBondContact O-CB 3.28Å; D999-K1003 WeakPolarHBondContact O-CD 3.48Å; D999-K1003 VanDerWaalsContact O-CG 3.31Å; D999-K1003 WeakPolarHBondContact O-CG 3.3Å; D999-K1003 PolarHBondContact O-N 3.26Å; Y1000-K1003 PolarHBondContact O-N 2.79Å |
| 1004 | L | 77.8 | Confident | 84.2 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -82.8 | -25.2 | 173.5 | -87.8 | 166.2 | 0 | 0 | 0 | 114.2 | I979 Y1000 L1001 H1002 L1006 K1024 L1025 F1028 | I979-L1004 HydrophobicContact CD1-CD1 4.45Å; Y1000-L1004 WeakPolarHBondContact O-CB 3.44Å; Y1000-L1004 WeakPolarHBondContact O-CG 3.45Å; Y1000-L1004 PolarHBondContact O-N 3.34Å; L1001-L1004 PolarHBondContact O-N 3.13Å; H1002-L1004 PolarHBondContact O-N 3.24Å; L1004-L1006 HydrophobicContact CB-CB 3.99Å; L1004-L1006 HydrophobicContact CB-CD1 4.15Å; L1004-L1006 HydrophobicContact CB-CG 4.03Å; L1004-L1006 HydrophobicContact CD1-CD1 4.31Å; L1004-L1006 HydrophobicContact CD2-CD1 4.2Å; L1004-L1006 HydrophobicContact CG-CD1 4.48Å; L1004-K1024 HydrophobicContact CD2-CB 4.04Å; L1004-K1024 WeakPolarHBondContact CD2-O 3.26Å; L1004-L1025 HydrophobicContact CD1-CD1 4.49Å; L1004-F1028 HydrophobicContact CD1-CB 4.22Å; L1004-F1028 HydrophobicContact CD1-CD1 3.77Å; L1004-F1028 HydrophobicContact CD1-CD2 4.46Å; L1004-F1028 HydrophobicContact CD1-CE1 4.34Å; L1004-F1028 HydrophobicContact CD1-CG 3.86Å; L1004-F1028 HydrophobicContact CD2-CB 3.62Å; L1004-F1028 HydrophobicContact CD2-CG 4.03Å; L1004-F1028 HydrophobicContact CG-CB 4.12Å; L1004-F1028 HydrophobicContact CG-CD1 4.38Å; L1004-F1028 HydrophobicContact CG-CD2 4.24Å; L1004-F1028 HydrophobicContact CG-CG 3.96Å |
| 1005 | G | 79.3 | Confident | 84 | Confident | 60 Ų | 60 | 69.8 Ų | 69.8 | 62% | 0.619 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 40.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1001 H1002 | L1001-G1005 PolarHBondContact O-N 2.92Å; H1002-G1005 PolarHBondContact O-N 3.29Å |
| 1006 | L | 83.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | trans | -129.6 | 21.8 | -175.3 | -70.7 | -177.8 | 0 | 0 | 0 | 113.7 | V975 L1001 L1004 K1009 R1010 Q1021 L1025 | V975-L1006 HydrophobicContact CG1-CD1 4.45Å; L1001-L1006 HydrophobicContact CD2-CB 4.23Å; L1001-L1006 PolarHBondContact O-N 3.5Å; L1004-L1006 HydrophobicContact CB-CB 3.99Å; L1004-L1006 HydrophobicContact CB-CD1 4.15Å; L1004-L1006 HydrophobicContact CB-CG 4.03Å; L1004-L1006 HydrophobicContact CD1-CD1 4.31Å; L1004-L1006 HydrophobicContact CD2-CD1 4.2Å; L1004-L1006 HydrophobicContact CG-CD1 4.48Å; L1006-K1009 HydrophobicContact CB-CB 4.39Å; L1006-K1009 HydrophobicContact CD2-CB 4.16Å; L1006-K1009 HydrophobicContact CD2-CG 4.16Å; L1006-K1009 CarbonylContact O-C 3.6Å; L1006-K1009 WeakPolarHBondContact O-CA 3.04Å; L1006-K1009 PolarHBondContact O-N 3.13Å; L1006-R1010 PolarHBondContact O-N 2.89Å; L1006-Q1021 HydrophobicContact CD2-CB 4.16Å; L1006-Q1021 HydrophobicContact CD2-CG 3.92Å; L1006-L1025 HydrophobicContact CD1-CB 4.46Å | ||
| 1007 | I | 85.6 | Confident | 83.5 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -55.5 | -54.9 | 180 | -58.5 | 177.5 | 0 | 0 | 0 | 110.9 | L1001 H1002 K1009 R1010 | L1001-I1007 HydrophobicContact CB-CG1 4.08Å; H1002-I1007 HydrophobicContact CB-CD1 3.94Å; H1002-I1007 HydrophobicContact CB-CG1 4.42Å; I1007-K1009 PolarHBondContact O-N 3.38Å; I1007-R1010 VanDerWaalsContact O-CB 3.22Å; I1007-R1010 WeakPolarHBondContact O-CB 3.27Å; I1007-R1010 PolarHBondContact O-N 3.25Å |
| 1008 | D | 84.5 | Confident | 82.8 | Confident | 154 Ų | 154 | 65.8 Ų | 65.8 | 82% | 0.824 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -57.7 | -20.3 | 178.3 | -45 | -16.2 | 0 | 0 | 0 | 113.2 | ||
| 1009 | K | 84.7 | Confident | 82.2 | Confident | 53 Ų | 53 | 65 Ų | 65 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -101.3 | 2.5 | -177.2 | -60.4 | -60.4 | -174.3 | 173.1 | 0 | 113.7 | V975 L1006 I1007 N1011 E1012 L1017 | V975-K1009 VanDerWaalsContact CG2-O 3.23Å; V975-K1009 WeakPolarHBondContact CG2-O 3.33Å; L1006-K1009 HydrophobicContact CB-CB 4.39Å; L1006-K1009 HydrophobicContact CD2-CB 4.16Å; L1006-K1009 HydrophobicContact CD2-CG 4.16Å; L1006-K1009 CarbonylContact O-C 3.6Å; L1006-K1009 WeakPolarHBondContact O-CA 3.04Å; L1006-K1009 PolarHBondContact O-N 3.13Å; I1007-K1009 PolarHBondContact O-N 3.38Å; K1009-N1011 PolarHBondContact O-N 3.06Å; K1009-E1012 HydrophobicContact CD-CB 4.28Å; K1009-E1012 HydrophobicContact CD-CG 4.21Å; K1009-E1012 WeakPolarHBondContact CD-OE1 3.48Å; K1009-E1012 WeakPolarHBondContact CD-OE2 3.47Å; K1009-E1012 IonicContact NZ-OE1 2.93Å; K1009-E1012 PolarHBondContact NZ-OE1 3.41Å; K1009-E1012 IonicContact NZ-OE2 2.74Å; K1009-E1012 PolarHBondContact NZ-OE2 3.11Å; K1009-E1012 PolarHBondContact O-N 3.3Å; K1009-L1017 HydrophobicContact CB-CD2 3.99Å; K1009-L1017 HydrophobicContact CD-CD2 4.19Å; K1009-L1017 HydrophobicContact CG-CD2 4.07Å |
| 1010 | R | 86.1 | Confident | 81.5 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | -47.3 | 179.4 | 178.6 | 168.4 | 171.9 | 161.8 | -0.8 | 114.3 | A976 L997 D998 L1001 L1006 I1007 | A976-R1010 HydrophobicContact CB-CG 4.23Å; A976-R1010 PolarHBondContact N-O 3.47Å; A976-R1010 VanDerWaalsContact N-O 3.14Å; L997-R1010 HydrophobicContact CD2-CG 4.47Å; D998-R1010 IonicContact OD1-CZ 3.68Å; D998-R1010 IonicContact OD1-NH1 3.75Å; D998-R1010 PolarHBondContact OD1-NH1 2.94Å; D998-R1010 IonicContact OD2-CZ 3.25Å; D998-R1010 IonicContact OD2-NH1 3.57Å; D998-R1010 PolarHBondContact OD2-NH1 3.22Å; L1001-R1010 HydrophobicContact CD1-CB 3.68Å; L1001-R1010 HydrophobicContact CD1-CG 3.62Å; L1006-R1010 PolarHBondContact O-N 2.89Å; I1007-R1010 VanDerWaalsContact O-CB 3.22Å; I1007-R1010 WeakPolarHBondContact O-CB 3.27Å; I1007-R1010 PolarHBondContact O-N 3.25Å |
| 1011 | N | 87.8 | Confident | 81.4 | Confident | 125 Ų | 125 | 62.8 Ų | 62.8 | 67% | 0.668 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -1.4 | -175.1 | -66.7 | -26.5 | 0 | 0 | 0 | 113.8 | T974 K1009 | T974-N1011 WeakPolarHBondContact CG2-O 3.43Å; K1009-N1011 PolarHBondContact O-N 3.06Å |
| 1012 | E | 84.9 | Confident | 81.2 | Confident | 64 Ų | 64 | 65.9 Ų | 65.9 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -73.9 | 148.5 | 173.7 | -88.1 | -171.2 | -142.6 | 0 | 0 | 111.3 | T974 V975 K1009 T1016 | T974-E1012 WeakPolarHBondContact CA-O 3.38Å; T974-E1012 WeakPolarHBondContact CB-O 3.39Å; V975-E1012 PolarHBondContact N-O 3.41Å; K1009-E1012 HydrophobicContact CD-CB 4.28Å; K1009-E1012 HydrophobicContact CD-CG 4.21Å; K1009-E1012 WeakPolarHBondContact CD-OE1 3.48Å; K1009-E1012 WeakPolarHBondContact CD-OE2 3.47Å; K1009-E1012 IonicContact NZ-OE1 2.93Å; K1009-E1012 PolarHBondContact NZ-OE1 3.41Å; K1009-E1012 IonicContact NZ-OE2 2.74Å; K1009-E1012 PolarHBondContact NZ-OE2 3.11Å; K1009-E1012 PolarHBondContact O-N 3.3Å; E1012-T1016 PolarHBondContact OE2-OG1 3.01Å |
| 1013 | K | 85.7 | Confident | 81 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 144.9 | 174.2 | -68.1 | 174 | -176.3 | 170.1 | 0 | 109.1 | S1015 T1016 | K1013-S1015 WeakPolarHBondContact CB-OG 3.47Å; K1013-S1015 PolarHBondContact O-N 3.48Å; K1013-T1016 PolarHBondContact O-N 3.37Å; K1013-T1016 PolarHBondContact O-OG1 3.39Å |
| 1014 | T | 84.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -59.4 | -22.6 | 175.8 | 58.8 | 0 | 0 | 0 | 0 | 113 | L969 Y970 D971 L973 H978 T1016 L1017 R1022 L1025 | L969-T1014 HydrophobicContact CB-CG2 4.41Å; L969-T1014 HydrophobicContact CD1-CG2 4.2Å; Y970-T1014 VanDerWaalsContact C-OG1 3.29Å; Y970-T1014 PolarHBondContact O-OG1 3.32Å; D971-T1014 WeakPolarHBondContact CA-OG1 3.49Å; D971-T1014 PolarHBondContact N-OG1 3.39Å; L973-T1014 PolarHBondContact O-N 3.43Å; L973-T1014 VanDerWaalsContact O-N 3.08Å; H978-T1014 WeakPolarHBondContact CE1-CG2 3.16Å; T1014-T1016 PolarHBondContact O-N 3.14Å; T1014-L1017 HydrophobicContact CG2-CD1 4.06Å; T1014-L1017 PolarHBondContact O-N 2.85Å; T1014-R1022 PolarHBondContact O-NE 3.18Å; T1014-R1022 PolarHBondContact O-NH2 3.45Å; T1014-L1025 HydrophobicContact CG2-CD2 3.65Å |
| 1015 | S | 79.2 | Confident | 81.6 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -53.3 | -34.3 | 169.9 | 67.5 | 0 | 0 | 0 | 0 | 114.7 | D971 K1013 R1022 | D971-S1015 VanDerWaalsContact O-CB 3.29Å; D971-S1015 WeakPolarHBondContact O-CB 3.28Å; D971-S1015 PolarHBondContact O-N 2.99Å; D971-S1015 PolarHBondContact O-OG 2.88Å; D971-S1015 WeakPolarHBondContact OD1-CA 3.35Å; K1013-S1015 WeakPolarHBondContact CB-OG 3.47Å; K1013-S1015 PolarHBondContact O-N 3.48Å; S1015-R1022 VanDerWaalsContact CA-NH2 3.29Å; S1015-R1022 PolarHBondContact O-NH2 3.25Å |
| 1016 | T | 80.9 | Confident | 81.9 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -93 | -7.8 | -177.6 | 58.7 | 0 | 0 | 0 | 0 | 114 | E1012 K1013 T1014 | E1012-T1016 PolarHBondContact OE2-OG1 3.01Å; K1013-T1016 PolarHBondContact O-N 3.37Å; K1013-T1016 PolarHBondContact O-OG1 3.39Å; T1014-T1016 PolarHBondContact O-N 3.14Å |
| 1017 | L | 78 | Confident | 82.1 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -74.6 | 142.1 | 177.1 | -61.3 | -179 | 0 | 0 | 0 | 111.6 | V975 K1009 T1014 Q1021 R1022 L1025 | V975-L1017 HydrophobicContact CG2-CD1 3.94Å; K1009-L1017 HydrophobicContact CB-CD2 3.99Å; K1009-L1017 HydrophobicContact CD-CD2 4.19Å; K1009-L1017 HydrophobicContact CG-CD2 4.07Å; T1014-L1017 HydrophobicContact CG2-CD1 4.06Å; T1014-L1017 PolarHBondContact O-N 2.85Å; L1017-Q1021 HydrophobicContact CB-CB 3.93Å; L1017-Q1021 HydrophobicContact CD2-CB 4.31Å; L1017-Q1021 HydrophobicContact CG-CB 4.49Å; L1017-R1022 HydrophobicContact CB-CG 3.85Å; L1017-R1022 PolarHBondContact O-NE 3.27Å; L1017-R1022 VanDerWaalsContact O-NE 3.11Å; L1017-L1025 HydrophobicContact CD1-CD2 4.33Å |
| 1018 | S | 72.2 | Confident | 82.1 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | trans | -65.9 | 160.6 | 170.8 | 76.7 | 0 | 0 | 0 | 0 | 111.5 | G1020 Q1021 R1022 | S1018-G1020 VanDerWaalsContact C-N 3.29Å; S1018-G1020 PolarHBondContact O-N 2.96Å; S1018-Q1021 WeakPolarHBondContact O-CB 3.24Å; S1018-Q1021 PolarHBondContact O-N 2.74Å; S1018-Q1021 WeakPolarHBondContact OG-CG 3.24Å; S1018-Q1021 PolarHBondContact OG-N 2.77Å; S1018-R1022 WeakPolarHBondContact O-CG 3.42Å; S1018-R1022 PolarHBondContact O-N 3.49Å | ||
| 1019 | G | 70.8 | Confident | 82.2 | Confident | 51 Ų | 51 | 42.5 Ų | 42.5 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -53.3 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1021 R1022 R1023 | G1019-Q1021 VanDerWaalsContact C-N 3.34Å; G1019-Q1021 PolarHBondContact O-N 3.4Å; G1019-R1022 PolarHBondContact O-N 3.26Å; G1019-R1023 WeakPolarHBondContact O-CB 3.48Å; G1019-R1023 PolarHBondContact O-N 3.01Å |
| 1020 | G | 71.7 | Confident | 82.3 | Confident | 12 Ų | 12 | 40 Ų | 40 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -33.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1018 K1024 | S1018-G1020 VanDerWaalsContact C-N 3.29Å; S1018-G1020 PolarHBondContact O-N 2.96Å; G1020-K1024 WeakPolarHBondContact O-CB 3.37Å; G1020-K1024 WeakPolarHBondContact O-CG 3.36Å; G1020-K1024 PolarHBondContact O-N 3.4Å |
| 1021 | Q | 81.4 | Confident | 82.3 | Confident | 56 Ų | 56 | 35.8 Ų | 35.8 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -73 | -39.5 | 175.5 | -71.4 | 169.5 | -17.2 | 0 | 0 | 112 | L1006 L1017 S1018 G1019 R1023 L1025 | L1006-Q1021 HydrophobicContact CD2-CB 4.16Å; L1006-Q1021 HydrophobicContact CD2-CG 3.92Å; L1017-Q1021 HydrophobicContact CB-CB 3.93Å; L1017-Q1021 HydrophobicContact CD2-CB 4.31Å; L1017-Q1021 HydrophobicContact CG-CB 4.49Å; S1018-Q1021 WeakPolarHBondContact O-CB 3.24Å; S1018-Q1021 PolarHBondContact O-N 2.74Å; S1018-Q1021 WeakPolarHBondContact OG-CG 3.24Å; S1018-Q1021 PolarHBondContact OG-N 2.77Å; G1019-Q1021 VanDerWaalsContact C-N 3.34Å; G1019-Q1021 PolarHBondContact O-N 3.4Å; Q1021-R1023 VanDerWaalsContact C-N 3.35Å; Q1021-L1025 PolarHBondContact O-N 3.48Å |
| 1022 | R | 81 | Confident | 82.1 | Confident | 64 Ų | 64 | 29.9 Ų | 29.9 | 24% | 0.242 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 170.8 | -67.2 | 177 | -176.5 | -123.2 | 7 | 110.7 | D967 L969 D971 T1014 S1015 L1017 S1018 G1019 L1025 S1026 | D967-R1022 HydrophobicContact CB-CB 4.37Å; D967-R1022 VanDerWaalsContact OD2-C 3.25Å; D967-R1022 VanDerWaalsContact OD2-CB 3.24Å; D967-R1022 WeakPolarHBondContact OD2-CB 3.45Å; L969-R1022 HydrophobicContact CD1-CB 3.88Å; L969-R1022 HydrophobicContact CD1-CG 4.22Å; D971-R1022 IonicContact OD1-CZ 2.75Å; D971-R1022 IonicContact OD1-NH1 2.83Å; D971-R1022 PolarHBondContact OD1-NH1 2.86Å; D971-R1022 IonicContact OD1-NH2 3.9Å; D971-R1022 PolarHBondContact OD1-NH2 2.93Å; T1014-R1022 PolarHBondContact O-NE 3.18Å; T1014-R1022 PolarHBondContact O-NH2 3.45Å; S1015-R1022 VanDerWaalsContact CA-NH2 3.29Å; S1015-R1022 PolarHBondContact O-NH2 3.25Å; L1017-R1022 HydrophobicContact CB-CG 3.85Å; L1017-R1022 PolarHBondContact O-NE 3.27Å; L1017-R1022 VanDerWaalsContact O-NE 3.11Å; S1018-R1022 WeakPolarHBondContact O-CG 3.42Å; S1018-R1022 PolarHBondContact O-N 3.49Å; G1019-R1022 PolarHBondContact O-N 3.26Å; R1022-L1025 PolarHBondContact O-N 3.04Å; R1022-S1026 PolarHBondContact O-N 2.99Å |
| 1023 | R | 80.9 | Confident | 81.6 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 179.7 | -164.7 | 58.5 | 173.8 | 164.5 | 0.9 | 112.6 | P964 D967 G1019 Q1021 L1025 S1026 L1027 D1041 E1042 P1043 L1047 | P964-R1023 VanDerWaalsContact O-CZ 3.29Å; P964-R1023 PolarHBondContact O-NH1 2.88Å; P964-R1023 PolarHBondContact O-NH2 3.25Å; D967-R1023 WeakPolarHBondContact OD1-CD 3.5Å; D967-R1023 IonicContact OD1-CZ 3.92Å; D967-R1023 IonicContact OD1-NE 2.72Å; D967-R1023 IonicContact OD1-NH1 3.68Å; D967-R1023 PolarHBondContact OD1-NH1 3.45Å; D967-R1023 WeakPolarHBondContact OD2-CA 3.48Å; D967-R1023 PolarHBondContact OD2-N 3.17Å; G1019-R1023 WeakPolarHBondContact O-CB 3.48Å; G1019-R1023 PolarHBondContact O-N 3.01Å; Q1021-R1023 VanDerWaalsContact C-N 3.35Å; R1023-L1025 VanDerWaalsContact C-N 3.33Å; R1023-L1025 PolarHBondContact O-N 3.34Å; R1023-S1026 PolarHBondContact O-N 3.45Å; R1023-L1027 VanDerWaalsContact O-CB 3.27Å; R1023-L1027 WeakPolarHBondContact O-CB 3.32Å; R1023-L1027 PolarHBondContact O-N 2.86Å; R1023-D1041 PolarHBondContact NH2-O 3.15Å; R1023-E1042 PolarHBondContact NH2-O 2.99Å; R1023-P1043 WeakPolarHBondContact CG-O 3.29Å; R1023-P1043 PolarHBondContact NE-O 3.32Å; R1023-L1047 HydrophobicContact CB-CD2 3.93Å; R1023-L1047 HydrophobicContact CG-CD1 4.04Å; R1023-L1047 HydrophobicContact CG-CD2 4.08Å; R1023-L1047 HydrophobicContact CG-CG 4.3Å |
| 1024 | K | 82.6 | Confident | 81.2 | Confident | 47 Ų | 47 | 28.9 Ų | 28.9 | 20% | 0.204 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -46.5 | 172.3 | -78.3 | 179.9 | 176.6 | -170.6 | 0 | 111.8 | L1004 G1020 F1028 V1055 | L1004-K1024 HydrophobicContact CD2-CB 4.04Å; L1004-K1024 WeakPolarHBondContact CD2-O 3.26Å; G1020-K1024 WeakPolarHBondContact O-CB 3.37Å; G1020-K1024 WeakPolarHBondContact O-CG 3.36Å; G1020-K1024 PolarHBondContact O-N 3.4Å; K1024-F1028 WeakPolarHBondContact O-CB 3.45Å; K1024-F1028 PolarHBondContact O-N 2.9Å; K1024-V1055 HydrophobicContact CG-CG2 4.15Å |
| 1025 | L | 87.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -51.6 | 176.9 | 178.7 | 57.7 | 0 | 0 | 0 | 111.6 | L969 V975 H978 L1004 L1006 T1014 L1017 Q1021 R1022 R1023 L1027 F1028 L1029 | L969-L1025 HydrophobicContact CD1-CD2 4.22Å; L969-L1025 HydrophobicContact CD2-CD2 4.12Å; L969-L1025 HydrophobicContact CD2-CG 4.14Å; V975-L1025 HydrophobicContact CG1-CD1 4Å; V975-L1025 HydrophobicContact CG1-CD2 4.27Å; V975-L1025 HydrophobicContact CG2-CD2 4.4Å; H978-L1025 HydrophobicContact CB-CD2 4.46Å; L1004-L1025 HydrophobicContact CD1-CD1 4.49Å; L1006-L1025 HydrophobicContact CD1-CB 4.46Å; T1014-L1025 HydrophobicContact CG2-CD2 3.65Å; L1017-L1025 HydrophobicContact CD1-CD2 4.33Å; Q1021-L1025 PolarHBondContact O-N 3.48Å; R1022-L1025 PolarHBondContact O-N 3.04Å; R1023-L1025 VanDerWaalsContact C-N 3.33Å; R1023-L1025 PolarHBondContact O-N 3.34Å; L1025-L1027 VanDerWaalsContact C-N 3.32Å; L1025-L1027 PolarHBondContact O-N 3.3Å; L1025-F1028 PolarHBondContact O-N 2.88Å; L1025-F1028 VanDerWaalsContact O-N 3.12Å; L1025-L1029 HydrophobicContact CD1-CD2 4.32Å; L1025-L1029 HydrophobicContact CD1-CG 4.39Å; L1025-L1029 WeakPolarHBondContact O-CG 3.29Å; L1025-L1029 PolarHBondContact O-N 2.9Å |
| 1026 | S | 87.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | -179.1 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | D967 R1022 R1023 L1029 | D967-S1026 WeakPolarHBondContact OD1-CB 3.39Å; R1022-S1026 PolarHBondContact O-N 2.99Å; R1023-S1026 PolarHBondContact O-N 3.45Å; S1026-L1029 PolarHBondContact O-N 2.92Å |
| 1027 | L | 86 | Confident | 81.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 176 | -175.6 | 142.2 | 0 | 0 | 0 | 111.7 | R1023 L1025 L1029 A1030 F1031 L1040 P1043 V1055 L1058 L1059 | R1023-L1027 VanDerWaalsContact O-CB 3.27Å; R1023-L1027 WeakPolarHBondContact O-CB 3.32Å; R1023-L1027 PolarHBondContact O-N 2.86Å; L1025-L1027 VanDerWaalsContact C-N 3.32Å; L1025-L1027 PolarHBondContact O-N 3.3Å; L1027-L1029 VanDerWaalsContact C-N 3.33Å; L1027-L1029 PolarHBondContact O-N 3.17Å; L1027-A1030 VanDerWaalsContact O-CB 3.26Å; L1027-A1030 WeakPolarHBondContact O-CB 3.4Å; L1027-A1030 PolarHBondContact O-N 2.97Å; L1027-A1030 VanDerWaalsContact O-N 3.11Å; L1027-F1031 HydrophobicContact CD2-CD2 4.16Å; L1027-F1031 HydrophobicContact CD2-CE2 3.74Å; L1027-F1031 HydrophobicContact CG-CE2 4.27Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.48Å; L1027-L1040 HydrophobicContact CG-CD2 4.43Å; L1027-P1043 HydrophobicContact CD1-CB 3.72Å; L1027-V1055 HydrophobicContact CD1-CG1 3.6Å; L1027-L1058 HydrophobicContact CD2-CD2 3.48Å; L1027-L1058 VanDerWaalsContact CD2-CD2 3.48Å; L1027-L1059 HydrophobicContact CD1-CD2 4.26Å; L1027-L1059 HydrophobicContact CD2-CD2 4.04Å |
| 1028 | F | 86.5 | Confident | 82.2 | Confident | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -33.4 | 176.9 | 177.9 | -95.7 | 0 | 0 | 0 | 113.8 | I979 Y1000 L1004 K1024 L1025 A1030 F1031 L1032 | I979-F1028 HydrophobicContact CD1-CE1 4.3Å; I979-F1028 HydrophobicContact CG1-CE1 4.25Å; Y1000-F1028 HydrophobicContact CD1-CE2 4.11Å; Y1000-F1028 AromaticContact CD1-CZ 3.57Å; Y1000-F1028 HydrophobicContact CD1-CZ 3.57Å; Y1000-F1028 HydrophobicContact CD2-CE1 4.28Å; Y1000-F1028 AromaticContact CD2-CZ 3.89Å; Y1000-F1028 HydrophobicContact CD2-CZ 3.89Å; Y1000-F1028 HydrophobicContact CE1-CZ 4.17Å; Y1000-F1028 HydrophobicContact CE2-CZ 4.46Å; Y1000-F1028 HydrophobicContact CG-CE1 4.08Å; Y1000-F1028 HydrophobicContact CG-CE2 4.29Å; Y1000-F1028 AromaticContact CG-CZ 3.39Å; Y1000-F1028 HydrophobicContact CG-CZ 3.39Å; L1004-F1028 HydrophobicContact CD1-CB 4.22Å; L1004-F1028 HydrophobicContact CD1-CD1 3.77Å; L1004-F1028 HydrophobicContact CD1-CD2 4.46Å; L1004-F1028 HydrophobicContact CD1-CE1 4.34Å; L1004-F1028 HydrophobicContact CD1-CG 3.86Å; L1004-F1028 HydrophobicContact CD2-CB 3.62Å; L1004-F1028 HydrophobicContact CD2-CG 4.03Å; L1004-F1028 HydrophobicContact CG-CB 4.12Å; L1004-F1028 HydrophobicContact CG-CD1 4.38Å; L1004-F1028 HydrophobicContact CG-CD2 4.24Å; L1004-F1028 HydrophobicContact CG-CG 3.96Å; K1024-F1028 WeakPolarHBondContact O-CB 3.45Å; K1024-F1028 PolarHBondContact O-N 2.9Å; L1025-F1028 PolarHBondContact O-N 2.88Å; L1025-F1028 VanDerWaalsContact O-N 3.12Å; F1028-A1030 PolarHBondContact O-N 3.17Å; F1028-F1031 PolarHBondContact O-N 3.38Å; F1028-L1032 HydrophobicContact CD1-CG 4.5Å; F1028-L1032 HydrophobicContact CE1-CD2 3.62Å; F1028-L1032 HydrophobicContact CE1-CG 3.96Å; F1028-L1032 HydrophobicContact CZ-CD2 3.84Å; F1028-L1032 HydrophobicContact CZ-CG 4.43Å; F1028-L1032 PolarHBondContact O-N 3.36Å |
| 1029 | L | 87.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60 | -28.6 | 174.5 | -62.2 | 175.4 | 0 | 0 | 0 | 112.1 | L969 H978 F982 L1025 S1026 L1027 F1031 L1032 | L969-L1029 HydrophobicContact CD2-CD1 3.75Å; H978-L1029 HydrophobicContact CB-CD1 4.42Å; H978-L1029 HydrophobicContact CB-CD2 4.23Å; F982-L1029 HydrophobicContact CB-CD2 4.16Å; F982-L1029 HydrophobicContact CD2-CD1 3.67Å; F982-L1029 HydrophobicContact CD2-CD2 3.96Å; F982-L1029 HydrophobicContact CD2-CG 4.31Å; F982-L1029 HydrophobicContact CE2-CD1 3.89Å; F982-L1029 HydrophobicContact CG-CD1 4.4Å; F982-L1029 HydrophobicContact CG-CD2 4.38Å; L1025-L1029 HydrophobicContact CD1-CD2 4.32Å; L1025-L1029 HydrophobicContact CD1-CG 4.39Å; L1025-L1029 WeakPolarHBondContact O-CG 3.29Å; L1025-L1029 PolarHBondContact O-N 2.9Å; S1026-L1029 PolarHBondContact O-N 2.92Å; L1027-L1029 VanDerWaalsContact C-N 3.33Å; L1027-L1029 PolarHBondContact O-N 3.17Å; L1029-F1031 VanDerWaalsContact C-N 3.33Å; L1029-F1031 PolarHBondContact O-N 2.88Å; L1029-L1032 HydrophobicContact CD2-CD1 3.71Å |
| 1030 | A | 86.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.5 | -31.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G961 C963 K986 L1027 F1028 I1038 L1040 | G961-A1030 WeakPolarHBondContact CA-O 3.46Å; C963-A1030 HydrophobicContact CB-CB 4.15Å; K986-A1030 PolarHBondContact NZ-O 3.41Å; L1027-A1030 VanDerWaalsContact O-CB 3.26Å; L1027-A1030 WeakPolarHBondContact O-CB 3.4Å; L1027-A1030 PolarHBondContact O-N 2.97Å; L1027-A1030 VanDerWaalsContact O-N 3.11Å; F1028-A1030 PolarHBondContact O-N 3.17Å; A1030-I1038 HydrophobicContact CB-CG2 4.3Å; A1030-L1040 HydrophobicContact CB-CD2 4.4Å |
| 1031 | F | 84.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 17.1 Ų | 17.1 | 2% | 0.022 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -85.4 | -12.2 | -178.5 | -73.6 | -89.8 | 0 | 0 | 0 | 115.3 | L1027 F1028 L1029 I1038 L1059 L1062 R1066 I1068 | L1027-F1031 HydrophobicContact CD2-CD2 4.16Å; L1027-F1031 HydrophobicContact CD2-CE2 3.74Å; L1027-F1031 HydrophobicContact CG-CE2 4.27Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.48Å; F1028-F1031 PolarHBondContact O-N 3.38Å; L1029-F1031 VanDerWaalsContact C-N 3.33Å; L1029-F1031 PolarHBondContact O-N 2.88Å; F1031-I1038 HydrophobicContact CB-CD1 4.31Å; F1031-I1038 HydrophobicContact CD1-CD1 3.2Å; F1031-I1038 HydrophobicContact CD2-CD1 4.4Å; F1031-I1038 HydrophobicContact CE1-CD1 3.43Å; F1031-I1038 VanDerWaalsContact CE1-CD1 3.43Å; F1031-I1038 HydrophobicContact CE1-CG2 4.38Å; F1031-I1038 HydrophobicContact CE2-CG2 4.24Å; F1031-I1038 HydrophobicContact CG-CD1 3.73Å; F1031-I1038 HydrophobicContact CZ-CD1 4.12Å; F1031-I1038 HydrophobicContact CZ-CG2 4.06Å; F1031-L1059 HydrophobicContact CE2-CD2 3.74Å; F1031-L1059 HydrophobicContact CZ-CD2 3.53Å; F1031-L1062 HydrophobicContact CB-CD1 3.87Å; F1031-L1062 HydrophobicContact CD1-CB 3.58Å; F1031-L1062 HydrophobicContact CD1-CD1 3.65Å; F1031-L1062 HydrophobicContact CD1-CG 4.23Å; F1031-L1062 HydrophobicContact CD2-CD1 3.85Å; F1031-L1062 HydrophobicContact CE1-CB 3.5Å; F1031-L1062 HydrophobicContact CE1-CD1 4.14Å; F1031-L1062 HydrophobicContact CE1-CG 4.49Å; F1031-L1062 HydrophobicContact CE2-CD1 4.34Å; F1031-L1062 HydrophobicContact CG-CB 4.33Å; F1031-L1062 HydrophobicContact CG-CD1 3.5Å; F1031-L1062 HydrophobicContact CZ-CB 4.21Å; F1031-L1062 HydrophobicContact CZ-CD1 4.48Å; F1031-R1066 PolarHBondContact O-NH2 3.48Å; F1031-R1066 VanDerWaalsContact O-NH2 3.11Å; F1031-I1068 HydrophobicContact CE1-CD1 4.03Å; F1031-I1068 HydrophobicContact CZ-CD1 4.06Å |
| 1032 | L | 84.3 | Confident | 84.9 | Confident | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -57.5 | 160.3 | 175.5 | -75.6 | 175.9 | 0 | 0 | 0 | 112.5 | I979 F982 K986 Y1000 F1028 L1029 N1034 | I979-L1032 HydrophobicContact CG2-CD2 4.36Å; F982-L1032 HydrophobicContact CB-CD1 4.09Å; K986-L1032 HydrophobicContact CD-CB 4.17Å; K986-L1032 WeakPolarHBondContact CD-O 3.27Å; K986-L1032 WeakPolarHBondContact CE-O 3.05Å; K986-L1032 PolarHBondContact NZ-O 3.35Å; Y1000-L1032 HydrophobicContact CD2-CD2 4.12Å; Y1000-L1032 HydrophobicContact CE2-CD2 3.78Å; F1028-L1032 HydrophobicContact CD1-CG 4.5Å; F1028-L1032 HydrophobicContact CE1-CD2 3.62Å; F1028-L1032 HydrophobicContact CE1-CG 3.96Å; F1028-L1032 HydrophobicContact CZ-CD2 3.84Å; F1028-L1032 HydrophobicContact CZ-CG 4.43Å; F1028-L1032 PolarHBondContact O-N 3.36Å; L1029-L1032 HydrophobicContact CD2-CD1 3.71Å; L1032-N1034 VanDerWaalsContact C-N 3.31Å; L1032-N1034 PolarHBondContact O-N 3.28Å |
| 1033 | G | 74.7 | Confident | 84.9 | Confident | 19 Ų | 19 | 12.9 Ų | 12.9 | 20% | 0.196 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | 69.4 | 17.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | M988 S1035 | M988-G1033 PolarHBondContact SD-N 3.15Å; G1033-S1035 VanDerWaalsContact C-N 3.29Å; G1033-S1035 PolarHBondContact O-N 3.42Å |
| 1034 | N | 76.4 | Confident | 84.9 | Confident | 125 Ų | 125 | 12.5 Ų | 12.5 | 67% | 0.668 | 7% | 0.069 | S | C | * | . | G | 310 helix | trans | 56 | 35.7 | -177.5 | -68.8 | 12.6 | 0 | 0 | 0 | 114.4 | L1032 S1036 | L1032-N1034 VanDerWaalsContact C-N 3.31Å; L1032-N1034 PolarHBondContact O-N 3.28Å; N1034-S1036 PolarHBondContact O-N 3.45Å |
| 1035 | S | 82.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -56.5 | 127.3 | 168.7 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | N958 V959 L960 K986 G1033 R1066 | N958-S1035 PolarHBondContact O-OG 3.26Å; V959-S1035 CarbonylContact O-C 3.55Å; V959-S1035 WeakPolarHBondContact O-CA 3.44Å; V959-S1035 WeakPolarHBondContact O-CB 3.31Å; L960-S1035 PolarHBondContact O-OG 3.35Å; K986-S1035 PolarHBondContact NZ-OG 3.47Å; G1033-S1035 VanDerWaalsContact C-N 3.29Å; G1033-S1035 PolarHBondContact O-N 3.42Å; S1035-R1066 WeakPolarHBondContact O-CD 3.23Å; S1035-R1066 PolarHBondContact O-NE 2.95Å; S1035-R1066 VanDerWaalsContact O-NE 3.07Å | ||
| 1036 | S | 83.3 | Confident | 83.2 | Confident | 19 Ų | 19 | 15.9 Ų | 15.9 | 13% | 0.133 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -96.5 | -13.1 | 179.8 | 96.4 | 0 | 0 | 0 | 0 | 113 | H945 V959 N1034 T1067 | H945-S1036 PolarHBondContact NE2-OG 3.43Å; V959-S1036 WeakPolarHBondContact CG1-OG 3.34Å; V959-S1036 PolarHBondContact O-N 2.98Å; N1034-S1036 PolarHBondContact O-N 3.45Å; S1036-T1067 PolarHBondContact O-N 3.16Å; S1036-T1067 PolarHBondContact O-OG1 3.25Å |
| 1037 | V | 88.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.7 | 170.6 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | V884 M944 V959 L960 G961 L1039 T1067 | V884-V1037 HydrophobicContact CG2-CG1 3.92Å; V884-V1037 HydrophobicContact CG2-CG2 3.86Å; M944-V1037 HydrophobicContact CE-CB 4.48Å; M944-V1037 HydrophobicContact CE-CG1 4.44Å; M944-V1037 HydrophobicContact CE-CG2 4.26Å; V959-V1037 HydrophobicContact CG1-CG2 4.42Å; V959-V1037 PolarHBondContact O-N 3.48Å; V959-V1037 VanDerWaalsContact O-N 3.1Å; L960-V1037 CarbonylContact C-O 3.59Å; L960-V1037 VanDerWaalsContact CA-O 3.28Å; L960-V1037 WeakPolarHBondContact CA-O 3.37Å; G961-V1037 PolarHBondContact N-O 2.85Å; V1037-L1039 HydrophobicContact CG1-CD2 4.05Å; V1037-L1039 HydrophobicContact CG1-CG 4.46Å; V1037-T1067 WeakPolarHBondContact CA-OG1 3.43Å |
| 1038 | I | 90.6 | Very high | 82 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.9 | -176.5 | -62.9 | -172.8 | 0 | 0 | 0 | 110 | G961 A1030 F1031 L1040 T1067 I1068 I1069 | G961-I1038 WeakPolarHBondContact O-CA 3.44Å; A1030-I1038 HydrophobicContact CB-CG2 4.3Å; F1031-I1038 HydrophobicContact CB-CD1 4.31Å; F1031-I1038 HydrophobicContact CD1-CD1 3.2Å; F1031-I1038 HydrophobicContact CD2-CD1 4.4Å; F1031-I1038 HydrophobicContact CE1-CD1 3.43Å; F1031-I1038 VanDerWaalsContact CE1-CD1 3.43Å; F1031-I1038 HydrophobicContact CE1-CG2 4.38Å; F1031-I1038 HydrophobicContact CE2-CG2 4.24Å; F1031-I1038 HydrophobicContact CG-CD1 3.73Å; F1031-I1038 HydrophobicContact CZ-CD1 4.12Å; F1031-I1038 HydrophobicContact CZ-CG2 4.06Å; I1038-L1040 HydrophobicContact CG2-CD2 3.77Å; I1038-L1040 HydrophobicContact CG2-CG 4.06Å; I1038-T1067 PolarHBondContact N-O 2.88Å; I1038-I1068 WeakPolarHBondContact O-CA 3.33Å; I1038-I1069 PolarHBondContact O-N 2.98Å |
| 1039 | L | 91.3 | Very high | 81.5 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.4 | -174.5 | -55.6 | -175.5 | 0 | 0 | 0 | 109.2 | L928 L931 V932 L960 G961 Y962 C963 V1037 I1069 | L928-L1039 HydrophobicContact CD2-CD2 4.4Å; L931-L1039 HydrophobicContact CB-CD1 3.64Å; L931-L1039 HydrophobicContact CD1-CD2 4.14Å; V932-L1039 HydrophobicContact CB-CD1 4.47Å; V932-L1039 HydrophobicContact CG2-CB 4.49Å; V932-L1039 HydrophobicContact CG2-CD1 3.52Å; L960-L1039 HydrophobicContact CD1-CD1 3.73Å; L960-L1039 HydrophobicContact CD1-CG 4.48Å; L960-L1039 HydrophobicContact CD2-CD1 4.29Å; L960-L1039 HydrophobicContact CG-CD1 4.14Å; L960-L1039 HydrophobicContact CG-CG 4.44Å; G961-L1039 PolarHBondContact O-N 3.27Å; Y962-L1039 CarbonylContact C-O 3.59Å; Y962-L1039 VanDerWaalsContact CA-O 3.28Å; Y962-L1039 WeakPolarHBondContact CA-O 3.41Å; Y962-L1039 HydrophobicContact CD2-CB 3.9Å; Y962-L1039 WeakPolarHBondContact CD2-O 3.29Å; C963-L1039 PolarHBondContact N-O 3.06Å; V1037-L1039 HydrophobicContact CG1-CD2 4.05Å; V1037-L1039 HydrophobicContact CG1-CG 4.46Å; L1039-I1069 CarbonylContact C-O 3.6Å; L1039-I1069 WeakPolarHBondContact CA-O 3.46Å; L1039-I1069 HydrophobicContact CD2-CB 3.71Å; L1039-I1069 HydrophobicContact CD2-CD1 3.7Å; L1039-I1069 HydrophobicContact CD2-CG1 3.94Å |
| 1040 | L | 90.8 | Very high | 81 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113.6 | -175.4 | -55 | 175.3 | 0 | 0 | 0 | 110.1 | C963 L1027 A1030 I1038 P1043 L1059 I1068 I1069 L1070 S1071 | C963-L1040 HydrophobicContact CB-CD2 3.56Å; L1027-L1040 HydrophobicContact CG-CD2 4.43Å; A1030-L1040 HydrophobicContact CB-CD2 4.4Å; I1038-L1040 HydrophobicContact CG2-CD2 3.77Å; I1038-L1040 HydrophobicContact CG2-CG 4.06Å; L1040-P1043 HydrophobicContact CB-CB 4.27Å; L1040-P1043 HydrophobicContact CB-CG 4.24Å; L1040-L1059 HydrophobicContact CD1-CD1 4.19Å; L1040-L1059 HydrophobicContact CD1-CD2 3.47Å; L1040-L1059 VanDerWaalsContact CD1-CD2 3.47Å; L1040-I1068 HydrophobicContact CD1-CG2 3.8Å; L1040-I1068 HydrophobicContact CG-CG2 4.44Å; L1040-I1069 PolarHBondContact N-O 3.3Å; L1040-L1070 HydrophobicContact CB-CB 3.81Å; L1040-L1070 HydrophobicContact CD1-CB 4.43Å; L1040-L1070 CarbonylContact O-C 3.45Å; L1040-L1070 WeakPolarHBondContact O-CA 3.42Å; L1040-S1071 PolarHBondContact O-N 2.93Å |
| 1041 | D | 87.9 | Confident | 80.5 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 109.6 | 178.5 | -165.4 | 44.9 | 0 | 0 | 0 | 109.7 | T925 L928 Y962 C963 P964 Q965 R1023 S1071 | T925-D1041 VanDerWaalsContact CG2-OD2 3.24Å; T925-D1041 WeakPolarHBondContact CG2-OD2 3.21Å; L928-D1041 HydrophobicContact CD1-CB 3.92Å; Y962-D1041 HydrophobicContact CE2-CB 4.33Å; C963-D1041 PolarHBondContact O-N 3.3Å; P964-D1041 CarbonylContact C-O 3.59Å; Q965-D1041 VanDerWaalsContact CA-O 3.28Å; Q965-D1041 WeakPolarHBondContact CA-O 3.28Å; Q965-D1041 PolarHBondContact N-O 2.94Å; R1023-D1041 PolarHBondContact NH2-O 3.15Å; D1041-S1071 WeakPolarHBondContact CA-OG 3.44Å; D1041-S1071 PolarHBondContact OD1-OG 2.78Å |
| 1042 | E | 82.7 | Confident | 80.2 | Confident | 31 Ų | 31 | 20.7 Ų | 20.7 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 44.1 | 64.7 | -175.7 | -66.8 | 178.4 | -150.3 | 0 | 0 | 113.8 | Q965 R1023 T1044 A1045 S1071 H1073 | Q965-E1042 HydrophobicContact CG-CB 4.2Å; Q965-E1042 PolarHBondContact NE2-OE1 3.38Å; Q965-E1042 PolarHBondContact NE2-OE2 2.99Å; R1023-E1042 PolarHBondContact NH2-O 2.99Å; E1042-T1044 VanDerWaalsContact C-N 3.26Å; E1042-T1044 PolarHBondContact O-N 3.48Å; E1042-T1044 VanDerWaalsContact O-N 3.13Å; E1042-A1045 HydrophobicContact CB-CB 4.09Å; E1042-A1045 PolarHBondContact O-N 3.22Å; E1042-S1071 WeakPolarHBondContact CA-O 3.44Å; E1042-S1071 PolarHBondContact N-O 2.91Å; E1042-S1071 VanDerWaalsContact N-O 3.17Å; E1042-S1071 PolarHBondContact N-OG 2.89Å; E1042-H1073 IonicContact OE1-CD2 3.53Å; E1042-H1073 PolarHBondContact OE1-CD2 3.07Å; E1042-H1073 VanDerWaalsContact OE1-CD2 3.25Å; E1042-H1073 IonicContact OE1-NE2 2.68Å |
| 1043 | P | 81.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.2 | -169.9 | 21.4 | -32.2 | 0 | 0 | 0 | 114.7 | R1023 L1027 L1040 L1070 S1071 | R1023-P1043 WeakPolarHBondContact CG-O 3.29Å; R1023-P1043 PolarHBondContact NE-O 3.32Å; L1027-P1043 HydrophobicContact CD1-CB 3.72Å; L1040-P1043 HydrophobicContact CB-CB 4.27Å; L1040-P1043 HydrophobicContact CB-CG 4.24Å; P1043-L1070 HydrophobicContact CG-CB 4.46Å; P1043-L1070 HydrophobicContact CG-CD1 4.44Å; P1043-S1071 WeakPolarHBondContact CD-O 3.17Å |
| 1044 | T | 80.5 | Confident | 80 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 11.6 | -175.2 | 66.2 | 0 | 0 | 0 | 0 | 116.1 | E1042 S1046 L1047 R1052 V1055 E1077 | E1042-T1044 VanDerWaalsContact C-N 3.26Å; E1042-T1044 PolarHBondContact O-N 3.48Å; E1042-T1044 VanDerWaalsContact O-N 3.13Å; T1044-S1046 PolarHBondContact O-N 3.27Å; T1044-L1047 HydrophobicContact CG2-CD1 4.15Å; T1044-L1047 WeakPolarHBondContact O-CB 3.32Å; T1044-L1047 PolarHBondContact O-N 3.24Å; T1044-L1047 VanDerWaalsContact O-N 3.13Å; T1044-R1052 HydrophobicContact CG2-CG 4.03Å; T1044-V1055 HydrophobicContact CG2-CB 3.92Å; T1044-V1055 HydrophobicContact CG2-CG1 3.66Å; T1044-E1077 WeakPolarHBondContact CB-OE1 3.47Å; T1044-E1077 WeakPolarHBondContact CG2-OE1 3.37Å; T1044-E1077 VanDerWaalsContact OG1-CD 3.24Å; T1044-E1077 PolarHBondContact OG1-OE1 2.74Å; T1044-E1077 PolarHBondContact OG1-OE2 2.68Å |
| 1045 | A | 68.7 | Low | 80.3 | Confident | 21 Ų | 21 | 16 Ų | 16 | 17% | 0.174 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 139.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1042 L1047 | E1042-A1045 HydrophobicContact CB-CB 4.09Å; E1042-A1045 PolarHBondContact O-N 3.22Å; A1045-L1047 PolarHBondContact O-N 3.28Å; A1045-L1047 VanDerWaalsContact O-N 3.12Å |
| 1046 | S | 64.2 | Low | 80.4 | Confident | 98 Ų | 98 | 16.2 Ų | 16.2 | 69% | 0.685 | 10% | 0.099 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 5.6 | -174.5 | 72.2 | 0 | 0 | 0 | 0 | 117.3 | T1044 | T1044-S1046 PolarHBondContact O-N 3.27Š|
| 1047 | L | 74.6 | Confident | 80.2 | Confident | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | trans | -80.1 | 139.9 | 170.6 | -61.4 | -171.2 | 0 | 0 | 0 | 111.7 | R1023 T1044 A1045 R1052 V1055 | R1023-L1047 HydrophobicContact CB-CD2 3.93Å; R1023-L1047 HydrophobicContact CG-CD1 4.04Å; R1023-L1047 HydrophobicContact CG-CD2 4.08Å; R1023-L1047 HydrophobicContact CG-CG 4.3Å; T1044-L1047 HydrophobicContact CG2-CD1 4.15Å; T1044-L1047 WeakPolarHBondContact O-CB 3.32Å; T1044-L1047 PolarHBondContact O-N 3.24Å; T1044-L1047 VanDerWaalsContact O-N 3.13Å; A1045-L1047 PolarHBondContact O-N 3.28Å; A1045-L1047 VanDerWaalsContact O-N 3.12Å; L1047-R1052 HydrophobicContact CB-CB 4.21Å; L1047-R1052 PolarHBondContact O-NH2 2.98Å; L1047-V1055 HydrophobicContact CD1-CB 4.47Å; L1047-V1055 HydrophobicContact CD1-CG2 3.77Å | ||
| 1048 | D | 73.8 | Confident | 79.8 | Confident | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | trans | -68.5 | 156.1 | 165.7 | 65.5 | 2.6 | 0 | 0 | 0 | 110.7 | F1050 S1051 R1052 N1895 H2049 | D1048-F1050 PolarHBondContact O-N 2.87Å; D1048-F1050 VanDerWaalsContact O-N 3.1Å; D1048-S1051 PolarHBondContact O-N 2.65Å; D1048-S1051 VanDerWaalsContact O-N 3.09Å; D1048-S1051 WeakPolarHBondContact OD1-CB 3.45Å; D1048-S1051 PolarHBondContact OD1-N 3.29Å; D1048-S1051 PolarHBondContact OD1-OG 3.35Å; D1048-R1052 VanDerWaalsContact O-CB 3.3Å; D1048-R1052 WeakPolarHBondContact O-CB 3.35Å; D1048-R1052 PolarHBondContact O-N 2.94Å; D1048-N1895 WeakPolarHBondContact OD2-CB 3.27Å; D1048-N1895 PolarHBondContact OD2-N 3.5Å; D1048-H2049 VanDerWaalsContact CB-CE1 3.41Å; D1048-H2049 WeakPolarHBondContact CB-CE1 3.5Å | ||
| 1049 | P | 75.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.9 | -32.7 | -174.1 | -34.3 | 40.4 | 0 | 0 | 0 | 115.8 | R1053 M2051 E2165 F2168 V2169 | P1049-R1053 WeakPolarHBondContact O-CG 3.37Å; P1049-R1053 PolarHBondContact O-N 3.32Å; P1049-M2051 HydrophobicContact CG-CE 3.85Å; P1049-M2051 HydrophobicContact CG-CG 4.37Å; P1049-E2165 HydrophobicContact CB-CG 3.47Å; P1049-E2165 VanDerWaalsContact CB-CG 3.47Å; P1049-E2165 HydrophobicContact CG-CG 3.83Å; P1049-F2168 HydrophobicContact CB-CD1 4.24Å; P1049-F2168 HydrophobicContact CB-CE1 4.39Å; P1049-F2168 HydrophobicContact CG-CD1 4.47Å; P1049-F2168 HydrophobicContact CG-CE1 4.46Å; P1049-V2169 HydrophobicContact CB-CG2 4.23Å |
| 1050 | F | 76.7 | Confident | 79 | Confident | 65 Ų | 65 | 20.2 Ų | 20.2 | 29% | 0.285 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -67.8 | -49.3 | 176.8 | -170.3 | -90.6 | 0 | 0 | 0 | 111.4 | D1048 R1052 A1054 V2169 I2172 K2173 E2176 | D1048-F1050 PolarHBondContact O-N 2.87Å; D1048-F1050 VanDerWaalsContact O-N 3.1Å; F1050-R1052 VanDerWaalsContact C-N 3.32Å; F1050-R1052 PolarHBondContact O-N 3.42Å; F1050-A1054 PolarHBondContact O-N 2.97Å; F1050-V2169 HydrophobicContact CD2-CG1 4.34Å; F1050-I2172 HydrophobicContact CD2-CG2 4.05Å; F1050-I2172 HydrophobicContact CE2-CG2 3.94Å; F1050-K2173 HydrophobicContact CE2-CG 4.5Å; F1050-E2176 WeakPolarHBondContact CZ-OE2 3.45Å |
| 1051 | S | 76 | Confident | 78.4 | Confident | 25 Ų | 25 | 25.8 Ų | 25.8 | 18% | 0.175 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -36.5 | 175 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | D1048 A1054 V1055 | D1048-S1051 PolarHBondContact O-N 2.65Å; D1048-S1051 VanDerWaalsContact O-N 3.09Å; D1048-S1051 WeakPolarHBondContact OD1-CB 3.45Å; D1048-S1051 PolarHBondContact OD1-N 3.29Å; D1048-S1051 PolarHBondContact OD1-OG 3.35Å; S1051-A1054 PolarHBondContact O-N 3.4Å; S1051-V1055 PolarHBondContact O-N 3.34Å; S1051-V1055 VanDerWaalsContact O-N 3.1Å |
| 1052 | R | 79.2 | Confident | 78 | Confident | 11 Ų | 11 | 26.8 Ų | 26.8 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -51.6 | 177.5 | -178.6 | -176.3 | -51.2 | 150.9 | 2.8 | 111.6 | T1044 L1047 D1048 F1050 A1054 V1055 W1056 H2049 E2165 | T1044-R1052 HydrophobicContact CG2-CG 4.03Å; L1047-R1052 HydrophobicContact CB-CB 4.21Å; L1047-R1052 PolarHBondContact O-NH2 2.98Å; D1048-R1052 VanDerWaalsContact O-CB 3.3Å; D1048-R1052 WeakPolarHBondContact O-CB 3.35Å; D1048-R1052 PolarHBondContact O-N 2.94Å; F1050-R1052 VanDerWaalsContact C-N 3.32Å; F1050-R1052 PolarHBondContact O-N 3.42Å; R1052-A1054 VanDerWaalsContact C-N 3.33Å; R1052-A1054 PolarHBondContact O-N 3.17Å; R1052-V1055 WeakPolarHBondContact O-CB 3.33Å; R1052-V1055 PolarHBondContact O-N 3.28Å; R1052-W1056 HydrophobicContact CG-CD2 4.22Å; R1052-W1056 HydrophobicContact CG-CH2 4.05Å; R1052-W1056 HydrophobicContact CG-CZ2 3.45Å; R1052-W1056 VanDerWaalsContact CG-CZ2 3.45Å; R1052-W1056 PolarHBondContact O-N 3.39Å; R1052-H2049 PolarHBondContact NH2-O 3.41Å; R1052-H2049 VanDerWaalsContact NH2-O 3.16Å; R1052-E2165 IonicContact CZ-OE2 3.04Å; R1052-E2165 IonicContact NH1-OE2 3.8Å; R1052-E2165 PolarHBondContact NH1-OE2 3.05Å |
| 1053 | R | 78.5 | Confident | 78 | Confident | 16 Ų | 16 | 26.8 Ų | 26.8 | 6% | 0.06 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 176 | -71.9 | 175.1 | -173.7 | -134.8 | -15 | 112.2 | P1049 V1055 W1056 D1057 E2165 D2166 | P1049-R1053 WeakPolarHBondContact O-CG 3.37Å; P1049-R1053 PolarHBondContact O-N 3.32Å; R1053-V1055 PolarHBondContact O-N 3Å; R1053-W1056 HydrophobicContact CB-CE3 4.45Å; R1053-W1056 HydrophobicContact CG-CE3 3.8Å; R1053-W1056 HydrophobicContact CG-CZ3 3.88Å; R1053-W1056 WeakPolarHBondContact O-CB 3.37Å; R1053-W1056 PolarHBondContact O-N 3.1Å; R1053-D1057 PolarHBondContact O-N 3.47Å; R1053-E2165 IonicContact CZ-OE1 3.74Å; R1053-E2165 IonicContact NE-OE1 3.99Å; R1053-E2165 PolarHBondContact NE-OE1 3.25Å; R1053-E2165 IonicContact NH2-OE1 3.56Å; R1053-E2165 PolarHBondContact NH2-OE1 2.92Å; R1053-D2166 IonicContact CZ-OD1 2.76Å; R1053-D2166 IonicContact NH1-OD1 2.74Å; R1053-D2166 PolarHBondContact NH1-OD1 2.84Å; R1053-D2166 IonicContact NH2-OD1 2.74Å; R1053-D2166 PolarHBondContact NH2-OD1 3.41Å; R1053-D2166 IonicContact NH2-OD2 2.7Å |
| 1054 | A | 77.1 | Confident | 77.9 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 26% | 0.256 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.9 | -23.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1050 S1051 R1052 L1058 | F1050-A1054 PolarHBondContact O-N 2.97Å; S1051-A1054 PolarHBondContact O-N 3.4Å; R1052-A1054 VanDerWaalsContact C-N 3.33Å; R1052-A1054 PolarHBondContact O-N 3.17Å; A1054-L1058 WeakPolarHBondContact O-CB 3.33Å |
| 1055 | V | 81.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -78.2 | -42.2 | 168.3 | 168.8 | 0 | 0 | 0 | 0 | 111 | K1024 L1027 T1044 L1047 S1051 R1052 R1053 L1058 L1059 | K1024-V1055 HydrophobicContact CG-CG2 4.15Å; L1027-V1055 HydrophobicContact CD1-CG1 3.6Å; T1044-V1055 HydrophobicContact CG2-CB 3.92Å; T1044-V1055 HydrophobicContact CG2-CG1 3.66Å; L1047-V1055 HydrophobicContact CD1-CB 4.47Å; L1047-V1055 HydrophobicContact CD1-CG2 3.77Å; S1051-V1055 PolarHBondContact O-N 3.34Å; S1051-V1055 VanDerWaalsContact O-N 3.1Å; R1052-V1055 WeakPolarHBondContact O-CB 3.33Å; R1052-V1055 PolarHBondContact O-N 3.28Å; R1053-V1055 PolarHBondContact O-N 3Å; V1055-L1058 PolarHBondContact O-N 3.1Å; V1055-L1059 HydrophobicContact CG1-CD1 4.19Å; V1055-L1059 HydrophobicContact CG1-CG 4.33Å; V1055-L1059 WeakPolarHBondContact O-CG 3.29Å; V1055-L1059 PolarHBondContact O-N 3.04Å |
| 1056 | W | 84.8 | Confident | 78.7 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 177.6 | -64.2 | -14.6 | 0 | 0 | 0 | 113.2 | R1052 R1053 L1058 L1059 K1060 Y1076 E1077 L1080 L1081 | R1052-W1056 HydrophobicContact CG-CD2 4.22Å; R1052-W1056 HydrophobicContact CG-CH2 4.05Å; R1052-W1056 HydrophobicContact CG-CZ2 3.45Å; R1052-W1056 VanDerWaalsContact CG-CZ2 3.45Å; R1052-W1056 PolarHBondContact O-N 3.39Å; R1053-W1056 HydrophobicContact CB-CE3 4.45Å; R1053-W1056 HydrophobicContact CG-CE3 3.8Å; R1053-W1056 HydrophobicContact CG-CZ3 3.88Å; R1053-W1056 WeakPolarHBondContact O-CB 3.37Å; R1053-W1056 PolarHBondContact O-N 3.1Å; W1056-L1058 VanDerWaalsContact C-N 3.3Å; W1056-L1058 PolarHBondContact O-N 3.32Å; W1056-L1059 PolarHBondContact O-N 3.11Å; W1056-K1060 WeakPolarHBondContact O-CG 3.2Å; W1056-K1060 PolarHBondContact O-N 3.01Å; W1056-Y1076 AromaticContact CH2-CD1 3.92Å; W1056-Y1076 HydrophobicContact CH2-CD1 3.92Å; W1056-Y1076 HydrophobicContact CH2-CE1 4.21Å; W1056-Y1076 HydrophobicContact CZ3-CE1 4.43Å; W1056-E1077 HydrophobicContact CZ2-CB 3.67Å; W1056-E1077 HydrophobicContact CZ2-CG 4.19Å; W1056-E1077 PolarHBondContact NE1-OE1 3.08Å; W1056-L1080 HydrophobicContact CE3-CD1 4.1Å; W1056-L1080 HydrophobicContact CH2-CD1 3.96Å; W1056-L1080 HydrophobicContact CZ3-CD1 3.48Å; W1056-L1080 VanDerWaalsContact CZ3-CD1 3.48Å; W1056-L1081 HydrophobicContact CB-CD2 3.8Å; W1056-L1081 HydrophobicContact CG-CD1 4.45Å; W1056-L1081 HydrophobicContact CG-CD2 3.94Å; W1056-L1081 HydrophobicContact CG-CG 4.3Å |
| 1057 | D | 79.5 | Confident | 79.8 | Confident | 54 Ų | 54 | 33.8 Ų | 33.8 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.1 | -38.6 | 178.1 | -64.1 | -36.3 | 0 | 0 | 0 | 110.5 | R1053 K1060 I1061 Y2118 | R1053-D1057 PolarHBondContact O-N 3.47Å; D1057-K1060 PolarHBondContact O-N 3.5Å; D1057-I1061 WeakPolarHBondContact O-CB 3.45Å; D1057-I1061 WeakPolarHBondContact O-CD1 3.49Å; D1057-I1061 WeakPolarHBondContact O-CG1 3.2Å; D1057-I1061 PolarHBondContact O-N 2.8Å; D1057-Y2118 WeakPolarHBondContact OD1-CE1 3.43Å; D1057-Y2118 PolarHBondContact OD1-OH 2.96Å |
| 1058 | L | 80.3 | Confident | 80.6 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 173 | -177.4 | 160.1 | 0 | 0 | 0 | 112.1 | L1027 A1054 V1055 W1056 I1061 L1062 | L1027-L1058 HydrophobicContact CD2-CD2 3.48Å; L1027-L1058 VanDerWaalsContact CD2-CD2 3.48Å; A1054-L1058 WeakPolarHBondContact O-CB 3.33Å; V1055-L1058 PolarHBondContact O-N 3.1Å; W1056-L1058 VanDerWaalsContact C-N 3.3Å; W1056-L1058 PolarHBondContact O-N 3.32Å; L1058-I1061 PolarHBondContact O-N 2.9Å; L1058-L1062 HydrophobicContact CD2-CD1 3.56Å; L1058-L1062 HydrophobicContact CD2-CG 4.22Å; L1058-L1062 HydrophobicContact CG-CD1 4.24Å; L1058-L1062 WeakPolarHBondContact O-CB 3.34Å; L1058-L1062 WeakPolarHBondContact O-CG 3.25Å; L1058-L1062 PolarHBondContact O-N 2.73Å |
| 1059 | L | 85.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 175 | -71.4 | 177.5 | 0 | 0 | 0 | 111.9 | L1027 F1031 L1040 V1055 W1056 L1062 R1063 L1081 | L1027-L1059 HydrophobicContact CD1-CD2 4.26Å; L1027-L1059 HydrophobicContact CD2-CD2 4.04Å; F1031-L1059 HydrophobicContact CE2-CD2 3.74Å; F1031-L1059 HydrophobicContact CZ-CD2 3.53Å; L1040-L1059 HydrophobicContact CD1-CD1 4.19Å; L1040-L1059 HydrophobicContact CD1-CD2 3.47Å; L1040-L1059 VanDerWaalsContact CD1-CD2 3.47Å; V1055-L1059 HydrophobicContact CG1-CD1 4.19Å; V1055-L1059 HydrophobicContact CG1-CG 4.33Å; V1055-L1059 WeakPolarHBondContact O-CG 3.29Å; V1055-L1059 PolarHBondContact O-N 3.04Å; W1056-L1059 PolarHBondContact O-N 3.11Å; L1059-L1062 PolarHBondContact O-N 3.5Å; L1059-R1063 PolarHBondContact O-N 3.4Å; L1059-R1063 VanDerWaalsContact O-N 3.1Å; L1059-L1081 HydrophobicContact CD1-CD1 3.8Å |
| 1060 | K | 79.3 | Confident | 82.2 | Confident | 37 Ų | 37 | 33.2 Ų | 33.2 | 16% | 0.161 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.7 | -70 | 178.6 | -179.2 | -175.5 | 0 | 111.8 | W1056 D1057 L1062 L1080 L1081 Y2118 | W1056-K1060 WeakPolarHBondContact O-CG 3.2Å; W1056-K1060 PolarHBondContact O-N 3.01Å; D1057-K1060 PolarHBondContact O-N 3.5Å; K1060-L1062 VanDerWaalsContact C-N 3.35Å; K1060-L1062 PolarHBondContact O-N 2.95Å; K1060-L1080 WeakPolarHBondContact CE-O 3.4Å; K1060-L1080 PolarHBondContact NZ-O 3.42Å; K1060-L1081 HydrophobicContact CG-CD2 4.46Å; K1060-Y2118 HydrophobicContact CD-CD1 3.56Å; K1060-Y2118 HydrophobicContact CD-CE1 3.62Å; K1060-Y2118 HydrophobicContact CD-CG 4.17Å; K1060-Y2118 VanDerWaalsContact NZ-CE2 3.3Å; K1060-Y2118 VanDerWaalsContact NZ-CG 3.35Å |
| 1061 | I | 79.2 | Confident | 82.8 | Confident | 117 Ų | 117 | 30.1 Ų | 30.1 | 60% | 0.6 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -63.2 | -38.3 | 175.2 | -70.8 | 163 | 0 | 0 | 0 | 111.9 | D1057 L1058 | D1057-I1061 WeakPolarHBondContact O-CB 3.45Å; D1057-I1061 WeakPolarHBondContact O-CD1 3.49Å; D1057-I1061 WeakPolarHBondContact O-CG1 3.2Å; D1057-I1061 PolarHBondContact O-N 2.8Å; L1058-I1061 PolarHBondContact O-N 2.9Å |
| 1062 | L | 79.6 | Confident | 83.3 | Confident | 25 Ų | 25 | 29 Ų | 29 | 13% | 0.131 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -90.7 | 1.4 | -176.1 | -62.7 | -174.6 | 0 | 0 | 0 | 115 | F1031 L1058 L1059 K1060 K1064 R1066 | F1031-L1062 HydrophobicContact CB-CD1 3.87Å; F1031-L1062 HydrophobicContact CD1-CB 3.58Å; F1031-L1062 HydrophobicContact CD1-CD1 3.65Å; F1031-L1062 HydrophobicContact CD1-CG 4.23Å; F1031-L1062 HydrophobicContact CD2-CD1 3.85Å; F1031-L1062 HydrophobicContact CE1-CB 3.5Å; F1031-L1062 HydrophobicContact CE1-CD1 4.14Å; F1031-L1062 HydrophobicContact CE1-CG 4.49Å; F1031-L1062 HydrophobicContact CE2-CD1 4.34Å; F1031-L1062 HydrophobicContact CG-CB 4.33Å; F1031-L1062 HydrophobicContact CG-CD1 3.5Å; F1031-L1062 HydrophobicContact CZ-CB 4.21Å; F1031-L1062 HydrophobicContact CZ-CD1 4.48Å; L1058-L1062 HydrophobicContact CD2-CD1 3.56Å; L1058-L1062 HydrophobicContact CD2-CG 4.22Å; L1058-L1062 HydrophobicContact CG-CD1 4.24Å; L1058-L1062 WeakPolarHBondContact O-CB 3.34Å; L1058-L1062 WeakPolarHBondContact O-CG 3.25Å; L1058-L1062 PolarHBondContact O-N 2.73Å; L1059-L1062 PolarHBondContact O-N 3.5Å; K1060-L1062 VanDerWaalsContact C-N 3.35Å; K1060-L1062 PolarHBondContact O-N 2.95Å; L1062-K1064 PolarHBondContact O-N 3.09Å; L1062-R1066 PolarHBondContact O-NH1 3.45Å |
| 1063 | R | 82.5 | Confident | 83.2 | Confident | 32 Ų | 32 | 29.8 Ų | 29.8 | 12% | 0.121 | 16% | 0.156 | C | C | . | . | trans | -61.7 | -39.3 | 179.7 | -173.9 | 174.3 | 74 | 175.1 | -4.2 | 114 | D911 I913 L1059 G1065 R1066 I1068 D1083 | D911-R1063 WeakPolarHBondContact O-CD 3.46Å; D911-R1063 WeakPolarHBondContact O-CG 3.2Å; D911-R1063 PolarHBondContact O-NE 2.62Å; I913-R1063 HydrophobicContact CD1-CG 4.42Å; I913-R1063 HydrophobicContact CG1-CG 4.12Å; L1059-R1063 PolarHBondContact O-N 3.4Å; L1059-R1063 VanDerWaalsContact O-N 3.1Å; R1063-G1065 PolarHBondContact O-N 3.38Å; R1063-R1066 WeakPolarHBondContact O-CB 3.43Å; R1063-R1066 PolarHBondContact O-N 2.9Å; R1063-I1068 HydrophobicContact CB-CD1 4.41Å; R1063-D1083 IonicContact CZ-OD1 3.56Å; R1063-D1083 IonicContact CZ-OD2 2.62Å; R1063-D1083 IonicContact NH1-OD1 2.68Å; R1063-D1083 PolarHBondContact NH1-OD1 3.46Å; R1063-D1083 IonicContact NH1-OD2 2.84Å; R1063-D1083 PolarHBondContact NH1-OD2 3.38Å | ||
| 1064 | K | 79.2 | Confident | 83.1 | Confident | 178 Ų | 178 | 30 Ų | 30 | 77% | 0.774 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 124.5 | -168.2 | -69 | -168.9 | 177.2 | -172.3 | 0 | 113.2 | D911 L1062 | D911-K1064 VanDerWaalsContact OD1-CA 3.22Å; D911-K1064 WeakPolarHBondContact OD1-CA 3.17Å; L1062-K1064 PolarHBondContact O-N 3.09Å |
| 1065 | G | 78.8 | Confident | 83.3 | Confident | 49 Ų | 49 | 28.7 Ų | 28.7 | 51% | 0.505 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 25.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D911 R1063 | D911-G1065 PolarHBondContact OD1-N 2.81Å; R1063-G1065 PolarHBondContact O-N 3.38Å |
| 1066 | R | 85.9 | Confident | 83.2 | Confident | 37 Ų | 37 | 30.2 Ų | 30.2 | 14% | 0.14 | 15% | 0.152 | C | C | . | . | trans | -141.9 | 157.1 | -177.5 | -57.4 | -171.6 | 170.1 | 107 | -8.8 | 112.9 | D911 F1031 S1035 L1062 R1063 | D911-R1066 VanDerWaalsContact CA-O 3.31Å; D911-R1066 WeakPolarHBondContact CA-O 3.41Å; D911-R1066 PolarHBondContact N-O 2.84Å; D911-R1066 VanDerWaalsContact N-O 3.07Å; F1031-R1066 PolarHBondContact O-NH2 3.48Å; F1031-R1066 VanDerWaalsContact O-NH2 3.11Å; S1035-R1066 WeakPolarHBondContact O-CD 3.23Å; S1035-R1066 PolarHBondContact O-NE 2.95Å; S1035-R1066 VanDerWaalsContact O-NE 3.07Å; L1062-R1066 PolarHBondContact O-NH1 3.45Å; R1063-R1066 WeakPolarHBondContact O-CB 3.43Å; R1063-R1066 PolarHBondContact O-N 2.9Å | ||
| 1067 | T | 88.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.7 | 162.8 | 57.9 | 0 | 0 | 0 | 0 | 110 | S883 Y909 E910 S1036 V1037 I1038 | S883-T1067 WeakPolarHBondContact OG-CG2 3.41Å; S883-T1067 PolarHBondContact OG-OG1 3.29Å; Y909-T1067 WeakPolarHBondContact O-CG2 3.46Å; E910-T1067 HydrophobicContact CB-CG2 4.48Å; E910-T1067 HydrophobicContact CG-CG2 4.11Å; S1036-T1067 PolarHBondContact O-N 3.16Å; S1036-T1067 PolarHBondContact O-OG1 3.25Å; V1037-T1067 WeakPolarHBondContact CA-OG1 3.43Å; I1038-T1067 PolarHBondContact N-O 2.88Å |
| 1068 | I | 90.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.7 | 176.6 | -59.8 | 176.8 | 0 | 0 | 0 | 107.3 | Q912 I913 T914 F1031 I1038 L1040 R1063 L1070 | Q912-I1068 PolarHBondContact O-N 3.23Å; Q912-I1068 VanDerWaalsContact O-N 3.14Å; I913-I1068 HydrophobicContact CG1-CB 4.1Å; I913-I1068 HydrophobicContact CG1-CD1 4.14Å; I913-I1068 HydrophobicContact CG2-CG2 4.4Å; T914-I1068 PolarHBondContact N-O 2.98Å; T914-I1068 PolarHBondContact OG1-O 3.49Å; F1031-I1068 HydrophobicContact CE1-CD1 4.03Å; F1031-I1068 HydrophobicContact CZ-CD1 4.06Å; I1038-I1068 WeakPolarHBondContact O-CA 3.33Å; L1040-I1068 HydrophobicContact CD1-CG2 3.8Å; L1040-I1068 HydrophobicContact CG-CG2 4.44Å; R1063-I1068 HydrophobicContact CB-CD1 4.41Å; I1068-L1070 HydrophobicContact CG2-CD2 4.43Å |
| 1069 | I | 91.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 111.8 | 175 | -46.4 | 178.8 | 0 | 0 | 0 | 106.7 | F908 T914 I916 L928 L931 I1038 L1039 L1040 | F908-I1069 HydrophobicContact CB-CD1 4Å; F908-I1069 HydrophobicContact CB-CG1 4.41Å; F908-I1069 HydrophobicContact CD1-CD1 3.58Å; F908-I1069 HydrophobicContact CD1-CG1 3.74Å; F908-I1069 HydrophobicContact CD1-CG2 4.19Å; F908-I1069 HydrophobicContact CD2-CD1 3.65Å; F908-I1069 HydrophobicContact CE1-CB 4.49Å; F908-I1069 HydrophobicContact CE1-CD1 3.83Å; F908-I1069 HydrophobicContact CE1-CG1 4.08Å; F908-I1069 HydrophobicContact CE1-CG2 3.66Å; F908-I1069 HydrophobicContact CE2-CD1 3.89Å; F908-I1069 HydrophobicContact CG-CD1 3.46Å; F908-I1069 VanDerWaalsContact CG-CD1 3.46Å; F908-I1069 HydrophobicContact CG-CG1 4.05Å; F908-I1069 HydrophobicContact CZ-CD1 3.97Å; F908-I1069 HydrophobicContact CZ-CG2 4.1Å; T914-I1069 WeakPolarHBondContact O-CA 3.16Å; T914-I1069 WeakPolarHBondContact OG1-CA 3.38Å; I916-I1069 HydrophobicContact CD1-CG2 3.83Å; I916-I1069 HydrophobicContact CG1-CG2 4.26Å; L928-I1069 HydrophobicContact CD2-CG2 4.06Å; L931-I1069 HydrophobicContact CD1-CD1 4.01Å; I1038-I1069 PolarHBondContact O-N 2.98Å; L1039-I1069 CarbonylContact C-O 3.6Å; L1039-I1069 WeakPolarHBondContact CA-O 3.46Å; L1039-I1069 HydrophobicContact CD2-CB 3.71Å; L1039-I1069 HydrophobicContact CD2-CD1 3.7Å; L1039-I1069 HydrophobicContact CD2-CG1 3.94Å; L1040-I1069 PolarHBondContact N-O 3.3Å |
| 1070 | L | 90.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.2 | -179.4 | 73.2 | 95.4 | 0 | 0 | 0 | 112.5 | I913 T914 V915 I916 L1040 P1043 I1068 L1081 | I913-L1070 HydrophobicContact CG2-CD2 3.7Å; T914-L1070 PolarHBondContact O-N 3.28Å; V915-L1070 CarbonylContact C-O 3.55Å; V915-L1070 WeakPolarHBondContact CA-O 3.47Å; V915-L1070 HydrophobicContact CB-CD1 4.29Å; V915-L1070 HydrophobicContact CB-CG 4.42Å; V915-L1070 HydrophobicContact CG1-CD1 3.66Å; V915-L1070 HydrophobicContact CG1-CG 4.3Å; V915-L1070 HydrophobicContact CG2-CD1 3.94Å; V915-L1070 HydrophobicContact CG2-CD2 4.07Å; V915-L1070 HydrophobicContact CG2-CG 3.86Å; I916-L1070 PolarHBondContact N-O 3.44Å; L1040-L1070 HydrophobicContact CB-CB 3.81Å; L1040-L1070 HydrophobicContact CD1-CB 4.43Å; L1040-L1070 CarbonylContact O-C 3.45Å; L1040-L1070 WeakPolarHBondContact O-CA 3.42Å; P1043-L1070 HydrophobicContact CG-CB 4.46Å; P1043-L1070 HydrophobicContact CG-CD1 4.44Å; I1068-L1070 HydrophobicContact CG2-CD2 4.43Å; L1070-L1081 HydrophobicContact CD2-CD1 3.87Å |
| 1071 | S | 90.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 139.5 | 163.1 | 74.8 | 0 | 0 | 0 | 0 | 108.6 | L1040 D1041 E1042 P1043 | L1040-S1071 PolarHBondContact O-N 2.93Å; D1041-S1071 WeakPolarHBondContact CA-OG 3.44Å; D1041-S1071 PolarHBondContact OD1-OG 2.78Å; E1042-S1071 WeakPolarHBondContact CA-O 3.44Å; E1042-S1071 PolarHBondContact N-O 2.91Å; E1042-S1071 VanDerWaalsContact N-O 3.17Å; E1042-S1071 PolarHBondContact N-OG 2.89Å; P1043-S1071 WeakPolarHBondContact CD-O 3.17Å |
| 1072 | S | 85.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | trans | -144.5 | 158.5 | 167.3 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | I916 L917 K924 H1074 E1077 | I916-S1072 PolarHBondContact O-N 2.91Å; L917-S1072 WeakPolarHBondContact CD2-O 3.31Å; K924-S1072 PolarHBondContact NZ-O 2.9Å; S1072-H1074 PolarHBondContact OG-N 3.2Å; S1072-E1077 VanDerWaalsContact CB-OE2 3.25Å; S1072-E1077 WeakPolarHBondContact CB-OE2 3.48Å; S1072-E1077 PolarHBondContact OG-OE2 3.07Å | ||
| 1073 | H | 77.8 | Confident | 83.1 | Confident | 29 Ų | 29 | 20.6 Ų | 20.6 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -113.9 | -3.8 | 165.3 | -74.5 | -88.6 | 0 | 0 | 0 | 112 | G918 N920 K924 E1042 | G918-H1073 PolarHBondContact O-CE1 3.44Å; G918-H1073 PolarHBondContact O-ND1 2.69Å; N920-H1073 PolarHBondContact OD1-CE1 2.97Å; N920-H1073 PolarHBondContact OD1-ND1 3.03Å; N920-H1073 VanDerWaalsContact OD1-ND1 3.11Å; K924-H1073 WeakPolarHBondContact CE-NE2 3.46Å; K924-H1073 PolarHBondContact NZ-CD2 3.03Å; K924-H1073 PolarHBondContact NZ-CE1 3.1Å; K924-H1073 PolarHBondContact NZ-ND1 2.98Å; K924-H1073 PolarHBondContact NZ-NE2 3.47Å; E1042-H1073 IonicContact OE1-CD2 3.53Å; E1042-H1073 PolarHBondContact OE1-CD2 3.07Å; E1042-H1073 VanDerWaalsContact OE1-CD2 3.25Å; E1042-H1073 IonicContact OE1-NE2 2.68Å |
| 1074 | H | 77.1 | Confident | 83.3 | Confident | 20 Ų | 20 | 21 Ų | 21 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | trans | -87.1 | 108.1 | 171.7 | -65 | -87.2 | 0 | 0 | 0 | 108.6 | S1072 Y1076 E1077 S1078 Y2050 | S1072-H1074 PolarHBondContact OG-N 3.2Å; H1074-Y1076 VanDerWaalsContact C-N 3.33Å; H1074-Y1076 PolarHBondContact O-N 3.44Å; H1074-E1077 HydrophobicContact CB-CB 3.63Å; H1074-E1077 WeakPolarHBondContact O-CB 3.39Å; H1074-E1077 PolarHBondContact O-N 2.87Å; H1074-S1078 PolarHBondContact O-N 3.09Å; H1074-S1078 VanDerWaalsContact O-N 3.13Å; H1074-S1078 PolarHBondContact O-OG 3.38Å; H1074-Y2050 AromaticContact CE1-CE1 3.39Å; H1074-Y2050 WeakPolarHBondContact CE1-CE1 3.38Å; H1074-Y2050 AromaticContact CE1-CZ 3.74Å; H1074-Y2050 PolarHBondContact CE1-OH 3.13Å; H1074-Y2050 AromaticContact ND1-CE1 3.58Å | ||
| 1075 | M | 81 | Confident | 83.7 | Confident | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.02 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.3 | -36.5 | 179.8 | -60.3 | -76.8 | -177.9 | 0 | 0 | 111.2 | L917 S1078 D1079 L1197 E1198 F1201 I2024 | L917-M1075 HydrophobicContact CD1-SD 3.76Å; L917-M1075 HydrophobicContact CD2-SD 4.05Å; M1075-S1078 WeakPolarHBondContact O-CB 3.33Å; M1075-S1078 PolarHBondContact O-N 2.99Å; M1075-S1078 VanDerWaalsContact O-N 3.15Å; M1075-D1079 PolarHBondContact O-N 3.2Å; M1075-L1197 HydrophobicContact CB-CB 4.31Å; M1075-L1197 HydrophobicContact CB-CD2 4.46Å; M1075-L1197 HydrophobicContact SD-CD2 3.71Å; M1075-E1198 HydrophobicContact CB-CG 3.74Å; M1075-E1198 WeakPolarHBondContact CB-OE1 3.43Å; M1075-E1198 HydrophobicContact CG-CB 4.14Å; M1075-E1198 HydrophobicContact CG-CG 3.6Å; M1075-E1198 WeakPolarHBondContact CG-OE1 3.31Å; M1075-F1201 HydrophobicContact CE-CB 3.54Å; M1075-F1201 HydrophobicContact CE-CD1 3.42Å; M1075-F1201 VanDerWaalsContact CE-CD1 3.42Å; M1075-F1201 HydrophobicContact CE-CD2 3.73Å; M1075-F1201 HydrophobicContact CE-CE1 3.98Å; M1075-F1201 HydrophobicContact CE-CE2 4.25Å; M1075-F1201 HydrophobicContact CE-CG 3.27Å; M1075-F1201 HydrophobicContact CE-CZ 4.35Å; M1075-F1201 HydrophobicContact SD-CB 4.05Å; M1075-F1201 HydrophobicContact SD-CG 4.27Å; M1075-I2024 HydrophobicContact CE-CD1 3.59Å; M1075-I2024 HydrophobicContact CE-CG1 3.8Å |
| 1076 | Y | 79 | Confident | 84.2 | Confident | 33 Ų | 33 | 10.5 Ų | 10.5 | 13% | 0.129 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.1 | -171.1 | -127.2 | 0 | 0 | 0 | 113.3 | W1056 H1074 S1078 D1079 L1080 R2160 T2163 D2166 | W1056-Y1076 AromaticContact CH2-CD1 3.92Å; W1056-Y1076 HydrophobicContact CH2-CD1 3.92Å; W1056-Y1076 HydrophobicContact CH2-CE1 4.21Å; W1056-Y1076 HydrophobicContact CZ3-CE1 4.43Å; H1074-Y1076 VanDerWaalsContact C-N 3.33Å; H1074-Y1076 PolarHBondContact O-N 3.44Å; Y1076-S1078 VanDerWaalsContact C-N 3.31Å; Y1076-D1079 PolarHBondContact O-N 3.41Å; Y1076-L1080 HydrophobicContact CD1-CD1 4.12Å; Y1076-L1080 HydrophobicContact CD2-CD1 4.23Å; Y1076-L1080 HydrophobicContact CD2-CG 4.39Å; Y1076-L1080 HydrophobicContact CE1-CD1 3.7Å; Y1076-L1080 HydrophobicContact CE2-CD1 3.81Å; Y1076-L1080 HydrophobicContact CE2-CG 4.15Å; Y1076-L1080 HydrophobicContact CG-CD1 4.37Å; Y1076-L1080 WeakPolarHBondContact O-CB 3.35Å; Y1076-L1080 WeakPolarHBondContact O-CG 3.46Å; Y1076-L1080 PolarHBondContact O-N 2.74Å; Y1076-L1080 VanDerWaalsContact O-N 3.07Å; Y1076-R2160 PolarHBondContact OH-NH1 3.32Å; Y1076-R2160 PolarHBondContact OH-NH2 3.32Å; Y1076-T2163 HydrophobicContact CE2-CG2 4.34Å; Y1076-D2166 PolarHBondContact OH-OD2 3.13Å |
| 1077 | E | 79.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 168.7 | 172.3 | 167.1 | -113.2 | 0 | 0 | 110.8 | T1044 W1056 S1072 H1074 D1079 L1080 L1081 | T1044-E1077 WeakPolarHBondContact CB-OE1 3.47Å; T1044-E1077 WeakPolarHBondContact CG2-OE1 3.37Å; T1044-E1077 VanDerWaalsContact OG1-CD 3.24Å; T1044-E1077 PolarHBondContact OG1-OE1 2.74Å; T1044-E1077 PolarHBondContact OG1-OE2 2.68Å; W1056-E1077 HydrophobicContact CZ2-CB 3.67Å; W1056-E1077 HydrophobicContact CZ2-CG 4.19Å; W1056-E1077 PolarHBondContact NE1-OE1 3.08Å; S1072-E1077 VanDerWaalsContact CB-OE2 3.25Å; S1072-E1077 WeakPolarHBondContact CB-OE2 3.48Å; S1072-E1077 PolarHBondContact OG-OE2 3.07Å; H1074-E1077 HydrophobicContact CB-CB 3.63Å; H1074-E1077 WeakPolarHBondContact O-CB 3.39Å; H1074-E1077 PolarHBondContact O-N 2.87Å; E1077-D1079 PolarHBondContact O-N 3.03Å; E1077-L1080 PolarHBondContact O-N 3.42Å; E1077-L1081 HydrophobicContact CG-CD1 3.61Å; E1077-L1081 HydrophobicContact CG-CG 4.13Å; E1077-L1081 VanDerWaalsContact O-CB 3.3Å; E1077-L1081 WeakPolarHBondContact O-CB 3.41Å; E1077-L1081 WeakPolarHBondContact O-CG 3.32Å; E1077-L1081 PolarHBondContact O-N 3.1Å |
| 1078 | S | 84.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | -177.8 | -51.9 | 0 | 0 | 0 | 0 | 111.2 | V915 L917 H1074 M1075 Y1076 L1080 A1082 | V915-S1078 WeakPolarHBondContact CG1-OG 3.48Å; L917-S1078 WeakPolarHBondContact CD2-OG 3.49Å; H1074-S1078 PolarHBondContact O-N 3.09Å; H1074-S1078 VanDerWaalsContact O-N 3.13Å; H1074-S1078 PolarHBondContact O-OG 3.38Å; M1075-S1078 WeakPolarHBondContact O-CB 3.33Å; M1075-S1078 PolarHBondContact O-N 2.99Å; M1075-S1078 VanDerWaalsContact O-N 3.15Å; Y1076-S1078 VanDerWaalsContact C-N 3.31Å; S1078-L1080 VanDerWaalsContact C-N 3.33Å; S1078-L1080 PolarHBondContact O-N 3.12Å; S1078-A1082 WeakPolarHBondContact O-CB 3.34Å; S1078-A1082 PolarHBondContact O-N 3.31Å |
| 1079 | D | 81.5 | Confident | 83.9 | Confident | 13 Ų | 13 | 9.2 Ų | 9.2 | 7% | 0.07 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -67.4 | -29.2 | 175.8 | -163.4 | 3.8 | 0 | 0 | 0 | 112.9 | M1075 Y1076 E1077 S1099 K1103 R2123 | M1075-D1079 PolarHBondContact O-N 3.2Å; Y1076-D1079 PolarHBondContact O-N 3.41Å; E1077-D1079 PolarHBondContact O-N 3.03Å; D1079-S1099 VanDerWaalsContact OD1-CB 3.23Å; D1079-S1099 WeakPolarHBondContact OD1-CB 3.42Å; D1079-S1099 PolarHBondContact OD1-OG 3.09Å; D1079-K1103 WeakPolarHBondContact OD2-CE 3.39Å; D1079-K1103 IonicContact OD2-NZ 2.68Å; D1079-K1103 PolarHBondContact OD2-NZ 2.86Å; D1079-R2123 VanDerWaalsContact O-CZ 3.24Å; D1079-R2123 PolarHBondContact O-NH1 2.85Å; D1079-R2123 PolarHBondContact O-NH2 2.97Å; D1079-R2123 IonicContact OD1-CZ 2.82Å; D1079-R2123 IonicContact OD1-NH1 2.71Å; D1079-R2123 IonicContact OD1-NH2 3.14Å; D1079-R2123 PolarHBondContact OD1-NH2 3.36Å; D1079-R2123 VanDerWaalsContact OD1-NH2 3.14Å |
| 1080 | L | 77.7 | Confident | 83.2 | Confident | 8 Ų | 8 | 15.3 Ų | 15.3 | 4% | 0.042 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -93.4 | -18.4 | -180 | -71.9 | 178.8 | 0 | 0 | 0 | 115.6 | W1056 K1060 Y1076 E1077 S1078 | W1056-L1080 HydrophobicContact CE3-CD1 4.1Å; W1056-L1080 HydrophobicContact CH2-CD1 3.96Å; W1056-L1080 HydrophobicContact CZ3-CD1 3.48Å; W1056-L1080 VanDerWaalsContact CZ3-CD1 3.48Å; K1060-L1080 WeakPolarHBondContact CE-O 3.4Å; K1060-L1080 PolarHBondContact NZ-O 3.42Å; Y1076-L1080 HydrophobicContact CD1-CD1 4.12Å; Y1076-L1080 HydrophobicContact CD2-CD1 4.23Å; Y1076-L1080 HydrophobicContact CD2-CG 4.39Å; Y1076-L1080 HydrophobicContact CE1-CD1 3.7Å; Y1076-L1080 HydrophobicContact CE2-CD1 3.81Å; Y1076-L1080 HydrophobicContact CE2-CG 4.15Å; Y1076-L1080 HydrophobicContact CG-CD1 4.37Å; Y1076-L1080 WeakPolarHBondContact O-CB 3.35Å; Y1076-L1080 WeakPolarHBondContact O-CG 3.46Å; Y1076-L1080 PolarHBondContact O-N 2.74Å; Y1076-L1080 VanDerWaalsContact O-N 3.07Å; E1077-L1080 PolarHBondContact O-N 3.42Å; S1078-L1080 VanDerWaalsContact C-N 3.33Å; S1078-L1080 PolarHBondContact O-N 3.12Å |
| 1081 | L | 80.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -106.1 | -32 | -179.8 | -69.1 | -172.2 | 0 | 0 | 0 | 114.4 | I913 W1056 L1059 K1060 L1070 E1077 | I913-L1081 WeakPolarHBondContact CB-O 3.3Å; I913-L1081 HydrophobicContact CG2-CB 4.35Å; I913-L1081 WeakPolarHBondContact CG2-O 3.37Å; W1056-L1081 HydrophobicContact CB-CD2 3.8Å; W1056-L1081 HydrophobicContact CG-CD1 4.45Å; W1056-L1081 HydrophobicContact CG-CD2 3.94Å; W1056-L1081 HydrophobicContact CG-CG 4.3Å; L1059-L1081 HydrophobicContact CD1-CD1 3.8Å; K1060-L1081 HydrophobicContact CG-CD2 4.46Å; L1070-L1081 HydrophobicContact CD2-CD1 3.87Å; E1077-L1081 HydrophobicContact CG-CD1 3.61Å; E1077-L1081 HydrophobicContact CG-CG 4.13Å; E1077-L1081 VanDerWaalsContact O-CB 3.3Å; E1077-L1081 WeakPolarHBondContact O-CB 3.41Å; E1077-L1081 WeakPolarHBondContact O-CG 3.32Å; E1077-L1081 PolarHBondContact O-N 3.1Å |
| 1082 | A | 82.7 | Confident | 82.1 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 2% | 0.017 | 10% | 0.099 | C | C | . | . | trans | -74.6 | 130.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V915 S1078 I1085 | V915-A1082 HydrophobicContact CB-CB 4.17Å; V915-A1082 HydrophobicContact CG2-CB 3.54Å; S1078-A1082 WeakPolarHBondContact O-CB 3.34Å; S1078-A1082 PolarHBondContact O-N 3.31Å; A1082-I1085 HydrophobicContact CB-CD1 3.91Å; A1082-I1085 HydrophobicContact CB-CG1 3.33Å | ||
| 1083 | D | 80.9 | Confident | 82.1 | Confident | 24 Ų | 24 | 22.8 Ų | 22.8 | 13% | 0.128 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -78.2 | -37.5 | 151.5 | -58.2 | -73.7 | 0 | 0 | 0 | 109.3 | Q912 I913 R1063 | Q912-D1083 HydrophobicContact CB-CB 4.27Å; Q912-D1083 HydrophobicContact CG-CB 4.44Å; I913-D1083 PolarHBondContact N-OD2 2.69Å; I913-D1083 PolarHBondContact O-N 2.91Å; R1063-D1083 IonicContact CZ-OD1 3.56Å; R1063-D1083 IonicContact CZ-OD2 2.62Å; R1063-D1083 IonicContact NH1-OD1 2.68Å; R1063-D1083 PolarHBondContact NH1-OD1 3.46Å; R1063-D1083 IonicContact NH1-OD2 2.84Å; R1063-D1083 PolarHBondContact NH1-OD2 3.38Å |
| 1084 | Q | 85.6 | Confident | 82.4 | Confident | 40 Ų | 40 | 24.6 Ų | 24.6 | 19% | 0.187 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139 | 176.2 | -170.4 | -174.7 | 15.1 | 0 | 0 | 112.1 | I913 T914 V915 | I913-Q1084 PolarHBondContact O-N 3.23Å; T914-Q1084 CarbonylContact C-O 3.58Å; T914-Q1084 VanDerWaalsContact CA-O 3.3Å; T914-Q1084 WeakPolarHBondContact CA-O 3.16Å; T914-Q1084 HydrophobicContact CG2-CB 4.27Å; V915-Q1084 PolarHBondContact N-O 3.44Å |
| 1085 | I | 89.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.6 | 175.9 | -62.2 | -178.2 | 0 | 0 | 0 | 109 | V915 L917 A1082 I1087 S1096 G1097 L1102 L1197 | V915-I1085 HydrophobicContact CB-CG1 4.38Å; V915-I1085 CarbonylContact O-C 3.58Å; V915-I1085 WeakPolarHBondContact O-CA 3.16Å; L917-I1085 HydrophobicContact CD1-CG2 3.6Å; L917-I1085 HydrophobicContact CG-CG2 4.1Å; A1082-I1085 HydrophobicContact CB-CD1 3.91Å; A1082-I1085 HydrophobicContact CB-CG1 3.33Å; I1085-I1087 HydrophobicContact CG2-CG1 4.43Å; I1085-S1096 CarbonylContact O-C 3.46Å; I1085-S1096 WeakPolarHBondContact O-CA 3.49Å; I1085-G1097 PolarHBondContact N-O 3.24Å; I1085-G1097 PolarHBondContact O-N 3.3Å; I1085-L1102 HydrophobicContact CB-CD1 3.82Å; I1085-L1102 HydrophobicContact CG2-CD1 3.84Å; I1085-L1197 HydrophobicContact CD1-CD1 3.55Å; I1085-L1197 HydrophobicContact CD1-CD2 4.3Å |
| 1086 | S | 89.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.5 | 172.8 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | V915 L917 S1096 | V915-S1086 PolarHBondContact O-N 3.1Å; L917-S1086 PolarHBondContact N-O 3.42Å; S1086-S1096 WeakPolarHBondContact OG-CB 3.41Å |
| 1087 | I | 89.1 | Confident | 83 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 113 | -178.8 | -64 | -178.8 | 0 | 0 | 0 | 109.9 | L917 I1085 L1094 C1095 F1201 I1204 | L917-I1087 HydrophobicContact CB-CG1 4.27Å; I1085-I1087 HydrophobicContact CG2-CG1 4.43Å; I1087-L1094 HydrophobicContact CG2-CD1 4.45Å; I1087-L1094 PolarHBondContact O-N 3.41Å; I1087-C1095 PolarHBondContact N-O 3.29Å; I1087-F1201 HydrophobicContact CD1-CD2 4.26Å; I1087-F1201 HydrophobicContact CG2-CD2 4Å; I1087-F1201 HydrophobicContact CG2-CE2 3.95Å; I1087-I1204 HydrophobicContact CD1-CD1 3.82Å; I1087-I1204 HydrophobicContact CG2-CG2 4.42Å |
| 1088 | L | 86.8 | Confident | 83 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.5 | 177.4 | -165.4 | 83.6 | 0 | 0 | 0 | 110.9 | L901 V904 I916 L917 G918 A922 G923 K924 K1092 V1093 | L901-L1088 HydrophobicContact CD2-CD1 4.39Å; L901-L1088 HydrophobicContact CD2-CD2 4.05Å; V904-L1088 HydrophobicContact CG2-CD1 4.39Å; I916-L1088 HydrophobicContact CG2-CB 4.3Å; L917-L1088 WeakPolarHBondContact O-CB 3.5Å; L917-L1088 PolarHBondContact O-N 3.14Å; G918-L1088 WeakPolarHBondContact CA-O 3.42Å; A922-L1088 WeakPolarHBondContact CB-O 3.24Å; A922-L1088 VanDerWaalsContact O-CD2 3.24Å; A922-L1088 WeakPolarHBondContact O-CD2 3.18Å; G923-L1088 VanDerWaalsContact C-CD2 3.49Å; K924-L1088 HydrophobicContact CG-CB 4.42Å; K924-L1088 HydrophobicContact CG-CD2 3.9Å; L1088-K1092 CarbonylContact C-O 3.59Å; L1088-K1092 WeakPolarHBondContact CA-O 3.3Å; L1088-K1092 WeakPolarHBondContact CD1-O 3.43Å; L1088-V1093 HydrophobicContact CD1-CG2 3.76Å |
| 1089 | S | 82.2 | Confident | 82.8 | Confident | 11 Ų | 11 | 27.5 Ų | 27.5 | 8% | 0.077 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138 | 172.7 | -163.9 | 0 | 0 | 0 | 0 | 110.4 | G1091 K1092 | S1089-G1091 PolarHBondContact O-N 3.27Å; S1089-K1092 PolarHBondContact N-O 3.11Å; S1089-K1092 PolarHBondContact O-N 3.05Å; S1089-K1092 VanDerWaalsContact O-O 3.04Å |
| 1090 | E | 76.2 | Confident | 82.7 | Confident | 127 Ų | 127 | 27.2 Ų | 27.2 | 59% | 0.593 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 33 | 179 | -53.6 | -168.4 | 167.9 | 0 | 0 | 114.2 | K1092 H1209 | E1090-K1092 VanDerWaalsContact C-N 3.28Å; E1090-K1092 PolarHBondContact O-N 3.43Å; E1090-H1209 IonicContact OE1-NE2 3.31Å; E1090-H1209 PolarHBondContact OE1-NE2 3.4Å |
| 1091 | G | 76.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 4.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A900 L901 C902 V904 A922 S1089 | A900-G1091 WeakPolarHBondContact O-CA 3.35Å; L901-G1091 CarbonylContact C-O 3.55Å; L901-G1091 WeakPolarHBondContact CA-O 3.35Å; C902-G1091 PolarHBondContact N-O 3.34Å; V904-G1091 WeakPolarHBondContact CG2-O 3.24Å; A922-G1091 WeakPolarHBondContact O-CA 3.3Å; A922-G1091 PolarHBondContact O-N 3.04Å; S1089-G1091 PolarHBondContact O-N 3.27Å |
| 1092 | K | 82.5 | Confident | 82.7 | Confident | 117 Ų | 117 | 28.9 Ų | 28.9 | 51% | 0.509 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 151.3 | 174.1 | -62.9 | 177.2 | -178.4 | 175.6 | 0 | 110.4 | C902 L1088 S1089 E1090 | C902-K1092 HydrophobicContact CB-CG 4.05Å; L1088-K1092 CarbonylContact C-O 3.59Å; L1088-K1092 WeakPolarHBondContact CA-O 3.3Å; L1088-K1092 WeakPolarHBondContact CD1-O 3.43Å; S1089-K1092 PolarHBondContact N-O 3.11Å; S1089-K1092 PolarHBondContact O-N 3.05Å; S1089-K1092 VanDerWaalsContact O-O 3.04Å; E1090-K1092 VanDerWaalsContact C-N 3.28Å; E1090-K1092 PolarHBondContact O-N 3.43Å |
| 1093 | V | 84.6 | Confident | 82.6 | Confident | 41 Ų | 41 | 29.4 Ų | 29.4 | 25% | 0.248 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.1 | 166.2 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | V904 M906 L1088 | V904-V1093 HydrophobicContact CG1-CG2 3.91Å; M906-V1093 HydrophobicContact CE-CG2 4.22Å; M906-V1093 HydrophobicContact CG-CG2 3.99Å; M906-V1093 HydrophobicContact SD-CG2 3.84Å; L1088-V1093 HydrophobicContact CD1-CG2 3.76Å |
| 1094 | L | 84.5 | Confident | 82.4 | Confident | 66 Ų | 66 | 31.7 Ų | 31.7 | 35% | 0.346 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -45.8 | 179.7 | -63.1 | -177.6 | 0 | 0 | 0 | 111.5 | I1087 I1204 | I1087-L1094 HydrophobicContact CG2-CD1 4.45Å; I1087-L1094 PolarHBondContact O-N 3.41Å; L1094-I1204 HydrophobicContact CB-CG2 4.3Å; L1094-I1204 HydrophobicContact CD1-CG2 3.67Å |
| 1095 | C | 84.5 | Confident | 82 | Confident | 15 Ų | 15 | 33 Ų | 33 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161.8 | 179.3 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | I1087 L1102 Y1106 | I1087-C1095 PolarHBondContact N-O 3.29Å; C1095-L1102 HydrophobicContact CB-CD2 4.39Å; C1095-Y1106 HydrophobicContact CB-CE2 4.32Å |
| 1096 | S | 84 | Confident | 81.4 | Confident | 69 Ų | 69 | 38.1 Ų | 38.1 | 48% | 0.483 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 141.8 | 172.3 | 60 | 0 | 0 | 0 | 0 | 111.6 | I1085 S1086 | I1085-S1096 CarbonylContact O-C 3.46Å; I1085-S1096 WeakPolarHBondContact O-CA 3.49Å; S1086-S1096 WeakPolarHBondContact OG-CB 3.41Å |
| 1097 | G | 81.2 | Confident | 80.5 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1085 | I1085-G1097 PolarHBondContact N-O 3.24Å; I1085-G1097 PolarHBondContact O-N 3.3Å |
| 1098 | S | 80 | Confident | 79.6 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | trans | -64.1 | 155.7 | 167.5 | 75.3 | 0 | 0 | 0 | 0 | 110.4 | L1100 S1101 L1102 Q2091 | S1098-L1100 PolarHBondContact O-N 2.64Å; S1098-L1100 VanDerWaalsContact O-N 3.16Å; S1098-S1101 PolarHBondContact N-OG 3.17Å; S1098-S1101 PolarHBondContact O-N 3.45Å; S1098-S1101 VanDerWaalsContact O-N 3.16Å; S1098-S1101 PolarHBondContact O-OG 3.01Å; S1098-S1101 WeakPolarHBondContact OG-CB 3.39Å; S1098-S1101 PolarHBondContact OG-N 3.21Å; S1098-S1101 PolarHBondContact OG-OG 3.33Å; S1098-L1102 PolarHBondContact O-N 3.38Å; S1098-Q2091 PolarHBondContact OG-OE1 2.94Å | ||
| 1099 | S | 80.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -33.7 | 178.8 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | D1079 L1102 K1103 R2123 | D1079-S1099 VanDerWaalsContact OD1-CB 3.23Å; D1079-S1099 WeakPolarHBondContact OD1-CB 3.42Å; D1079-S1099 PolarHBondContact OD1-OG 3.09Å; S1099-L1102 PolarHBondContact O-N 3.19Å; S1099-K1103 WeakPolarHBondContact O-CG 3.29Å; S1099-K1103 PolarHBondContact O-N 3.41Å; S1099-R2123 PolarHBondContact OG-NH1 3.28Å |
| 1100 | L | 78.5 | Confident | 79.1 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.5 | -38 | 179.9 | -162.5 | 52.3 | 0 | 0 | 0 | 112.3 | S1098 L1102 K1103 S1104 Q2091 S2156 | S1098-L1100 PolarHBondContact O-N 2.64Å; S1098-L1100 VanDerWaalsContact O-N 3.16Å; L1100-L1102 VanDerWaalsContact C-N 3.3Å; L1100-L1102 PolarHBondContact O-N 2.88Å; L1100-K1103 PolarHBondContact O-N 2.78Å; L1100-S1104 PolarHBondContact O-N 3.13Å; L1100-S1104 PolarHBondContact O-OG 2.82Å; L1100-Q2091 HydrophobicContact CD2-CB 3.88Å; L1100-S2156 WeakPolarHBondContact CD2-O 3.11Å; L1100-S2156 WeakPolarHBondContact CD2-OG 3.11Å; L1100-S2156 WeakPolarHBondContact CG-OG 3.28Å |
| 1101 | S | 78.5 | Confident | 79.5 | Confident | 38 Ų | 38 | 35.4 Ų | 35.4 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.7 | -30.9 | 172.2 | 70 | 0 | 0 | 0 | 0 | 113.2 | S1098 S1104 A1105 | S1098-S1101 PolarHBondContact N-OG 3.17Å; S1098-S1101 PolarHBondContact O-N 3.45Å; S1098-S1101 VanDerWaalsContact O-N 3.16Å; S1098-S1101 PolarHBondContact O-OG 3.01Å; S1098-S1101 WeakPolarHBondContact OG-CB 3.39Å; S1098-S1101 PolarHBondContact OG-N 3.21Å; S1098-S1101 PolarHBondContact OG-OG 3.33Å; S1101-S1104 WeakPolarHBondContact CA-OG 3.28Å; S1101-S1104 PolarHBondContact O-OG 2.84Å; S1101-A1105 WeakPolarHBondContact O-CB 3.18Å; S1101-A1105 PolarHBondContact O-N 3.44Å; S1101-A1105 VanDerWaalsContact O-N 3.13Å |
| 1102 | L | 80.6 | Confident | 79.9 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.1 | -37.1 | 174 | -68 | 174.7 | 0 | 0 | 0 | 111.7 | I1085 C1095 S1098 S1099 L1100 Y1106 V1200 | I1085-L1102 HydrophobicContact CB-CD1 3.82Å; I1085-L1102 HydrophobicContact CG2-CD1 3.84Å; C1095-L1102 HydrophobicContact CB-CD2 4.39Å; S1098-L1102 PolarHBondContact O-N 3.38Å; S1099-L1102 PolarHBondContact O-N 3.19Å; L1100-L1102 VanDerWaalsContact C-N 3.3Å; L1100-L1102 PolarHBondContact O-N 2.88Å; L1102-Y1106 HydrophobicContact CD2-CD2 4.23Å; L1102-Y1106 HydrophobicContact CD2-CE2 4.12Å; L1102-Y1106 PolarHBondContact O-N 3.28Å; L1102-V1200 HydrophobicContact CB-CG1 4.29Å |
| 1103 | K | 80.2 | Confident | 79.8 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 6% | 0.057 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | 173.6 | -73.9 | 179.8 | -174.6 | -172.8 | 0 | 113.1 | D1079 S1099 L1100 G1107 S1195 V1200 | D1079-K1103 WeakPolarHBondContact OD2-CE 3.39Å; D1079-K1103 IonicContact OD2-NZ 2.68Å; D1079-K1103 PolarHBondContact OD2-NZ 2.86Å; S1099-K1103 WeakPolarHBondContact O-CG 3.29Å; S1099-K1103 PolarHBondContact O-N 3.41Å; L1100-K1103 PolarHBondContact O-N 2.78Å; K1103-G1107 WeakPolarHBondContact O-CA 3.46Å; K1103-G1107 PolarHBondContact O-N 3.41Å; K1103-S1195 WeakPolarHBondContact CD-O 3.39Å; K1103-S1195 VanDerWaalsContact CE-O 3.24Å; K1103-S1195 WeakPolarHBondContact CE-O 3.18Å; K1103-S1195 PolarHBondContact NZ-O 3.49Å; K1103-V1200 HydrophobicContact CG-CG2 4.03Å |
| 1104 | S | 76.5 | Confident | 79.7 | Confident | 72 Ų | 72 | 28.3 Ų | 28.3 | 50% | 0.503 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72.3 | -30.1 | 175.7 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | L1100 S1101 | L1100-S1104 PolarHBondContact O-N 3.13Å; L1100-S1104 PolarHBondContact O-OG 2.82Å; S1101-S1104 WeakPolarHBondContact CA-OG 3.28Å; S1101-S1104 PolarHBondContact O-OG 2.84Å |
| 1105 | A | 76 | Confident | 79.3 | Confident | 68 Ų | 68 | 27.1 Ų | 27.1 | 56% | 0.562 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -86 | -28 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1101 | S1101-A1105 WeakPolarHBondContact O-CB 3.18Å; S1101-A1105 PolarHBondContact O-N 3.44Å; S1101-A1105 VanDerWaalsContact O-N 3.13Å |
| 1106 | Y | 77.9 | Confident | 79 | Confident | 107 Ų | 107 | 26.9 Ų | 26.9 | 42% | 0.42 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -137.3 | 0.5 | -171.2 | -58.8 | -78.5 | 0 | 0 | 0 | 114.8 | C1095 L1102 T1203 I1204 | C1095-Y1106 HydrophobicContact CB-CE2 4.32Å; L1102-Y1106 HydrophobicContact CD2-CD2 4.23Å; L1102-Y1106 HydrophobicContact CD2-CE2 4.12Å; L1102-Y1106 PolarHBondContact O-N 3.28Å; Y1106-T1203 PolarHBondContact O-OG1 3.04Å; Y1106-I1204 HydrophobicContact CD1-CD1 4.1Å; Y1106-I1204 HydrophobicContact CD1-CG1 3.83Å; Y1106-I1204 HydrophobicContact CD2-CD1 3.7Å; Y1106-I1204 HydrophobicContact CD2-CG1 4.35Å; Y1106-I1204 HydrophobicContact CE1-CD1 4.49Å; Y1106-I1204 HydrophobicContact CE1-CG1 4.26Å; Y1106-I1204 HydrophobicContact CE2-CD1 4.12Å; Y1106-I1204 HydrophobicContact CG-CD1 3.68Å; Y1106-I1204 HydrophobicContact CG-CG1 3.88Å |
| 1107 | G | 70.9 | Confident | 78.4 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 19% | 0.186 | 16% | 0.159 | C | C | . | . | trans | -90 | 144.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1103 G1109 | K1103-G1107 WeakPolarHBondContact O-CA 3.46Å; K1103-G1107 PolarHBondContact O-N 3.41Å; G1107-G1109 PolarHBondContact O-N 3.01Å | ||
| 1108 | S | 68.8 | Low | 77.5 | Confident | 43 Ų | 43 | 28.4 Ų | 28.4 | 30% | 0.301 | 17% | 0.174 | S | C | . | . | trans | -77.1 | 48.8 | 176.9 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | H1111 H1158 | S1108-H1111 PolarHBondContact O-CE1 3.34Å; S1108-H1111 PolarHBondContact OG-CE1 2.93Å; S1108-H1111 PolarHBondContact OG-NE2 3.02Å; S1108-H1158 PolarHBondContact O-CD2 3.37Å; S1108-H1158 PolarHBondContact O-NE2 3.46Å | ||
| 1109 | G | 76.8 | Confident | 76.7 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | 64.9 | -150.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1107 L1159 N1194 S1195 | G1107-G1109 PolarHBondContact O-N 3.01Å; G1109-L1159 CarbonylContact C-O 3.55Å; G1109-L1159 WeakPolarHBondContact CA-O 3.16Å; G1109-N1194 PolarHBondContact O-OD1 3.15Å; G1109-S1195 VanDerWaalsContact O-CB 3.29Å; G1109-S1195 WeakPolarHBondContact O-CB 3.09Å; G1109-S1195 PolarHBondContact O-N 3.11Å; G1109-S1195 PolarHBondContact O-OG 3.4Å | ||
| 1110 | Y | 81.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 156.4 | 164.6 | -74.2 | -94.6 | 0 | 0 | 0 | 110.7 | L1159 T1161 A1164 F1169 I1192 T1193 N1194 I2157 S2158 I2159 | Y1110-L1159 PolarHBondContact N-O 3.43Å; Y1110-L1159 PolarHBondContact O-N 3.45Å; Y1110-T1161 HydrophobicContact CD2-CG2 4.01Å; Y1110-T1161 HydrophobicContact CE2-CG2 3.98Å; Y1110-A1164 HydrophobicContact CD2-CB 4.43Å; Y1110-A1164 HydrophobicContact CE2-CB 3.75Å; Y1110-F1169 AromaticContact CD2-CE2 3.79Å; Y1110-F1169 HydrophobicContact CD2-CE2 3.79Å; Y1110-F1169 HydrophobicContact CD2-CZ 4.18Å; Y1110-F1169 HydrophobicContact CE2-CE2 4.25Å; Y1110-F1169 HydrophobicContact CG-CE2 4.11Å; Y1110-I1192 HydrophobicContact CD1-CD1 3.54Å; Y1110-I1192 HydrophobicContact CD1-CG1 3.97Å; Y1110-I1192 HydrophobicContact CE1-CD1 4.08Å; Y1110-I1192 HydrophobicContact CG-CD1 4.12Å; Y1110-T1193 CarbonylContact C-O 3.6Å; Y1110-T1193 WeakPolarHBondContact CA-O 3.27Å; Y1110-T1193 WeakPolarHBondContact CD1-O 3.4Å; Y1110-N1194 HydrophobicContact CD1-CB 3.77Å; Y1110-N1194 HydrophobicContact CE1-CB 3.75Å; Y1110-N1194 WeakPolarHBondContact CE1-ND2 3.47Å; Y1110-N1194 HydrophobicContact CG-CB 4.5Å; Y1110-N1194 PolarHBondContact OH-ND2 3.42Å; Y1110-I2157 PolarHBondContact OH-O 3.42Å; Y1110-S2158 WeakPolarHBondContact OH-CA 3.46Å; Y1110-I2159 HydrophobicContact CE1-CB 4.34Å; Y1110-I2159 PolarHBondContact OH-N 2.94Å |
| 1111 | H | 83.8 | Confident | 74.7 | Confident | 26 Ų | 26 | 37 Ų | 37 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 111.7 | 175.3 | -58.4 | -35.7 | 0 | 0 | 0 | 109.4 | S1108 L1148 I1156 I1157 T1193 | S1108-H1111 PolarHBondContact O-CE1 3.34Å; S1108-H1111 PolarHBondContact OG-CE1 2.93Å; S1108-H1111 PolarHBondContact OG-NE2 3.02Å; H1111-L1148 VanDerWaalsContact CE1-CD1 3.42Å; H1111-L1148 WeakPolarHBondContact CE1-CD1 3.49Å; H1111-L1148 VanDerWaalsContact ND1-CD1 3.34Å; H1111-L1148 WeakPolarHBondContact ND1-CD1 3.37Å; H1111-I1156 HydrophobicContact CB-CG2 4.34Å; H1111-I1157 CarbonylContact C-O 3.6Å; H1111-I1157 WeakPolarHBondContact CA-O 3.36Å; H1111-T1193 WeakPolarHBondContact CB-OG1 3.49Å; H1111-T1193 PolarHBondContact N-O 3.35Å; H1111-T1193 PolarHBondContact O-N 2.91Å; H1111-T1193 PolarHBondContact O-OG1 3.02Å |
| 1112 | L | 85.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 122.8 | 170.5 | 174.2 | 64.9 | 0 | 0 | 0 | 108.1 | L1114 I1138 I1156 I1157 L1159 F1173 L1176 Y1190 | L1112-L1114 HydrophobicContact CD1-CD2 4Å; L1112-L1114 HydrophobicContact CD2-CD2 4.28Å; L1112-L1114 HydrophobicContact CG-CD2 4Å; L1112-L1114 HydrophobicContact CG-CG 4.33Å; L1112-I1138 HydrophobicContact CD2-CD1 3.86Å; L1112-I1156 WeakPolarHBondContact O-CA 3.45Å; L1112-I1157 PolarHBondContact N-O 2.94Å; L1112-I1157 PolarHBondContact O-N 3.12Å; L1112-L1159 HydrophobicContact CB-CD1 3.94Å; L1112-L1159 HydrophobicContact CB-CG 4.47Å; L1112-F1173 HydrophobicContact CD1-CE1 4.1Å; L1112-L1176 HydrophobicContact CD1-CD1 4.02Å; L1112-L1176 HydrophobicContact CD2-CD1 3.8Å; L1112-Y1190 HydrophobicContact CD1-CD2 4.13Å |
| 1113 | S | 81.6 | Confident | 72.3 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.1 | 173 | 80.1 | 0 | 0 | 0 | 0 | 111.4 | K1154 L1155 Y1190 E1191 | S1113-K1154 VanDerWaalsContact CB-CE 3.47Å; S1113-K1154 WeakPolarHBondContact OG-CE 3.28Å; S1113-L1155 VanDerWaalsContact CA-O 3.3Å; S1113-L1155 WeakPolarHBondContact CA-O 3.02Å; S1113-Y1190 CarbonylContact O-C 3.56Å; S1113-Y1190 WeakPolarHBondContact O-CA 3.46Å; S1113-E1191 PolarHBondContact N-O 3.31Å; S1113-E1191 PolarHBondContact O-N 3.05Å |
| 1114 | L | 81.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.5 | -173 | -53 | 173.1 | 0 | 0 | 0 | 108.6 | L1112 L1134 I1138 K1154 L1155 I1157 I1187 Y1190 | L1112-L1114 HydrophobicContact CD1-CD2 4Å; L1112-L1114 HydrophobicContact CD2-CD2 4.28Å; L1112-L1114 HydrophobicContact CG-CD2 4Å; L1112-L1114 HydrophobicContact CG-CG 4.33Å; L1114-L1134 HydrophobicContact CD1-CD1 4.1Å; L1114-L1134 HydrophobicContact CD1-CD2 3.42Å; L1114-L1134 VanDerWaalsContact CD1-CD2 3.42Å; L1114-L1134 HydrophobicContact CD1-CG 4.4Å; L1114-I1138 HydrophobicContact CD1-CD1 4.02Å; L1114-K1154 VanDerWaalsContact O-CA 3.31Å; L1114-K1154 WeakPolarHBondContact O-CA 3.39Å; L1114-L1155 HydrophobicContact CB-CB 4.32Å; L1114-L1155 HydrophobicContact CD1-CD1 4.41Å; L1114-L1155 PolarHBondContact N-O 2.88Å; L1114-L1155 PolarHBondContact O-N 3.3Å; L1114-I1157 HydrophobicContact CD1-CD1 4.18Å; L1114-I1187 HydrophobicContact CD2-CG2 4.45Å; L1114-Y1190 VanDerWaalsContact CD2-CB 3.5Å |
| 1115 | E | 75.6 | Confident | 70.2 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 19% | 0.192 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.4 | 176.4 | -169.9 | 163.1 | -135.5 | 0 | 0 | 109.7 | S1153 I1187 K1188 H1189 | E1115-S1153 CarbonylContact C-O 3.59Å; E1115-S1153 VanDerWaalsContact CA-O 3.31Å; E1115-S1153 WeakPolarHBondContact CA-O 3.36Å; E1115-I1187 CarbonylContact O-C 3.48Å; E1115-I1187 WeakPolarHBondContact O-CA 3.04Å; E1115-K1188 HydrophobicContact CG-CD 4.38Å; E1115-K1188 PolarHBondContact O-N 3.41Å; E1115-H1189 HydrophobicContact CB-CB 4.48Å; E1115-H1189 PolarHBondContact N-O 3.5Å; E1115-H1189 IonicContact OE2-CD2 2.76Å |
| 1116 | I | 77.7 | Confident | 69.5 | Low | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.6 | -175.9 | -60.2 | 175.2 | 0 | 0 | 0 | 109 | P1118 L1121 T1131 S1153 L1155 H1186 | I1116-P1118 VanDerWaalsContact O-CD 3.29Å; I1116-P1118 WeakPolarHBondContact O-CD 3.29Å; I1116-L1121 HydrophobicContact CG2-CD1 3.97Å; I1116-T1131 HydrophobicContact CD1-CG2 3.76Å; I1116-S1153 PolarHBondContact N-O 3.18Å; I1116-L1155 HydrophobicContact CD1-CD1 3.93Å; I1116-L1155 HydrophobicContact CD1-CG 3.93Å; I1116-H1186 WeakPolarHBondContact CA-O 3.46Å |
| 1117 | D | 71.4 | Confident | 68.7 | Low | 45 Ų | 45 | 45.5 Ų | 45.5 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | trans | -77.6 | 113.4 | 179.4 | -133.9 | -29.1 | 0 | 0 | 0 | 112.7 | S1119 H1186 K1188 | D1117-S1119 VanDerWaalsContact C-N 3.29Å; D1117-S1119 PolarHBondContact O-N 2.75Å; D1117-H1186 PolarHBondContact N-O 3.31Å; D1117-H1186 VanDerWaalsContact N-O 3.08Å; D1117-K1188 HydrophobicContact CB-CD 3.93Å; D1117-K1188 HydrophobicContact CB-CG 3.76Å; D1117-K1188 VanDerWaalsContact CG-CD 3.47Å; D1117-K1188 VanDerWaalsContact CG-CE 3.5Å; D1117-K1188 IonicContact OD1-NZ 3.51Å; D1117-K1188 PolarHBondContact OD1-NZ 2.93Å; D1117-K1188 WeakPolarHBondContact OD2-CD 3.4Å; D1117-K1188 WeakPolarHBondContact OD2-CE 3.4Å; D1117-K1188 WeakPolarHBondContact OD2-CG 3.28Å; D1117-K1188 IonicContact OD2-NZ 2.77Å; D1117-K1188 PolarHBondContact OD2-NZ 2.81Å | ||
| 1118 | P | 63.6 | Low | 68.4 | Low | 70 Ų | 70 | 48.9 Ų | 48.9 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -80 | -8.3 | -175.1 | 34 | -37 | 0 | 0 | 0 | 113.5 | I1116 N1120 | I1116-P1118 VanDerWaalsContact O-CD 3.29Å; I1116-P1118 WeakPolarHBondContact O-CD 3.29Å; P1118-N1120 PolarHBondContact O-N 3.05Å |
| 1119 | S | 63.2 | Low | 68.5 | Low | 84 Ų | 84 | 51.8 Ų | 51.8 | 59% | 0.587 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -68.2 | -16.2 | -175.4 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | D1117 | D1117-S1119 VanDerWaalsContact C-N 3.29Å; D1117-S1119 PolarHBondContact O-N 2.75Å |
| 1120 | N | 58.8 | Low | 68.3 | Low | 95 Ų | 95 | 54.8 Ų | 54.8 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -113.5 | 1.4 | -169.4 | -61.5 | 7.1 | 0 | 0 | 0 | 113.2 | P1118 | P1118-N1120 PolarHBondContact O-N 3.05Š|
| 1121 | L | 57.3 | Low | 67.9 | Low | 30 Ų | 30 | 55.2 Ų | 55.2 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | trans | -111.5 | 93.4 | -170.3 | -73.5 | 158.3 | 0 | 0 | 0 | 110.4 | I1116 T1123 D1126 H1127 | I1116-L1121 HydrophobicContact CG2-CD1 3.97Å; L1121-T1123 PolarHBondContact O-N 3.2Å; L1121-D1126 HydrophobicContact CD2-CB 4.24Å; L1121-H1127 WeakPolarHBondContact CB-NE2 3.32Å; L1121-H1127 WeakPolarHBondContact CD1-CE1 3.4Å | ||
| 1122 | N | 52.7 | Low | 67.5 | Low | 151 Ų | 151 | 58.8 Ų | 58.8 | 81% | 0.807 | 33% | 0.334 | S | S | * | . | trans | -76.8 | -14.6 | -169.2 | -69.8 | -30.5 | 0 | 0 | 0 | 114.7 | ||||
| 1123 | T | 56.6 | Low | 67.2 | Low | 57 Ų | 57 | 63.5 Ų | 63.5 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | trans | -134.3 | 155.5 | 175.8 | 82.4 | 0 | 0 | 0 | 0 | 112.7 | L1121 S1125 D1126 | L1121-T1123 PolarHBondContact O-N 3.2Å; T1123-S1125 VanDerWaalsContact C-N 3.28Å; T1123-S1125 WeakPolarHBondContact CB-OG 3.48Å; T1123-S1125 PolarHBondContact O-N 3.43Å; T1123-S1125 PolarHBondContact OG1-N 2.93Å; T1123-S1125 PolarHBondContact OG1-OG 3.44Å; T1123-D1126 WeakPolarHBondContact CB-OD2 3.38Å; T1123-D1126 PolarHBondContact OG1-N 3.47Å; T1123-D1126 PolarHBondContact OG1-OD2 3.01Å | ||
| 1124 | T | 54.7 | Low | 67.2 | Low | 111 Ų | 111 | 63.1 Ų | 63.1 | 68% | 0.681 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71 | -22.3 | 173.4 | 45.3 | 0 | 0 | 0 | 0 | 113 | ||
| 1125 | S | 58.4 | Low | 67.2 | Low | 76 Ų | 76 | 63.9 Ų | 63.9 | 53% | 0.531 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.5 | -49.5 | 173.3 | 19.4 | 0 | 0 | 0 | 0 | 112.2 | T1123 H1127 N1128 D1129 | T1123-S1125 VanDerWaalsContact C-N 3.28Å; T1123-S1125 WeakPolarHBondContact CB-OG 3.48Å; T1123-S1125 PolarHBondContact O-N 3.43Å; T1123-S1125 PolarHBondContact OG1-N 2.93Å; T1123-S1125 PolarHBondContact OG1-OG 3.44Å; S1125-H1127 PolarHBondContact O-N 2.97Å; S1125-N1128 PolarHBondContact O-N 3.25Å; S1125-N1128 VanDerWaalsContact O-N 3.11Å; S1125-D1129 PolarHBondContact O-N 3.14Å |
| 1126 | D | 59.8 | Low | 67.5 | Low | 72 Ų | 72 | 68.4 Ų | 68.4 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -33.5 | -176.2 | -54.9 | -44.1 | 0 | 0 | 0 | 112.2 | L1121 T1123 N1130 | L1121-D1126 HydrophobicContact CD2-CB 4.24Å; T1123-D1126 WeakPolarHBondContact CB-OD2 3.38Å; T1123-D1126 PolarHBondContact OG1-N 3.47Å; T1123-D1126 PolarHBondContact OG1-OD2 3.01Å; D1126-N1130 WeakPolarHBondContact O-CB 3.25Å; D1126-N1130 PolarHBondContact O-N 3.23Å; D1126-N1130 VanDerWaalsContact O-N 3.13Å; D1126-N1130 PolarHBondContact O-ND2 3.33Å |
| 1127 | H | 61.3 | Low | 67.8 | Low | 14 Ų | 14 | 69.2 Ų | 69.2 | 7% | 0.065 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 174.9 | -102.6 | -73.4 | 0 | 0 | 0 | 112.8 | L1121 S1125 T1131 L1152 | L1121-H1127 WeakPolarHBondContact CB-NE2 3.32Å; L1121-H1127 WeakPolarHBondContact CD1-CE1 3.4Å; S1125-H1127 PolarHBondContact O-N 2.97Å; H1127-T1131 WeakPolarHBondContact O-CB 3.27Å; H1127-T1131 WeakPolarHBondContact O-CG2 3.2Å; H1127-T1131 PolarHBondContact O-N 3.19Å; H1127-T1131 PolarHBondContact O-OG1 2.84Å; H1127-L1152 PolarHBondContact CE1-O 3.42Å |
| 1128 | N | 65.7 | Low | 68.3 | Low | 88 Ų | 88 | 67.3 Ų | 67.3 | 47% | 0.471 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.2 | -40.8 | -174.5 | -72.6 | -12.6 | 0 | 0 | 0 | 111.4 | S1125 T1131 M1132 H1150 | S1125-N1128 PolarHBondContact O-N 3.25Å; S1125-N1128 VanDerWaalsContact O-N 3.11Å; N1128-T1131 PolarHBondContact O-OG1 3.25Å; N1128-T1131 VanDerWaalsContact O-OG1 3.11Å; N1128-M1132 WeakPolarHBondContact O-CB 3.43Å; N1128-M1132 WeakPolarHBondContact O-CG 3.18Å; N1128-M1132 PolarHBondContact O-N 2.76Å; N1128-H1150 PolarHBondContact OD1-CE1 3.4Å |
| 1129 | D | 71 | Confident | 69.3 | Low | 104 Ų | 104 | 67 Ų | 67 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 177.5 | -102.2 | 27.3 | 0 | 0 | 0 | 112.4 | S1125 M1132 K1133 | S1125-D1129 PolarHBondContact O-N 3.14Å; D1129-M1132 PolarHBondContact O-N 3.49Å; D1129-K1133 VanDerWaalsContact O-CG 3.24Å; D1129-K1133 WeakPolarHBondContact O-CG 3.24Å; D1129-K1133 PolarHBondContact O-N 3.24Å |
| 1130 | N | 71.4 | Confident | 70.4 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 35% | 0.348 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.4 | -34.2 | -179.1 | -70.4 | -19.2 | 0 | 0 | 0 | 112.5 | D1126 K1133 L1134 | D1126-N1130 WeakPolarHBondContact O-CB 3.25Å; D1126-N1130 PolarHBondContact O-N 3.23Å; D1126-N1130 VanDerWaalsContact O-N 3.13Å; D1126-N1130 PolarHBondContact O-ND2 3.33Å; N1130-K1133 PolarHBondContact O-N 3.19Å; N1130-K1133 PolarHBondContact OD1-NZ 3.42Å; N1130-L1134 WeakPolarHBondContact O-CB 3.33Å; N1130-L1134 PolarHBondContact O-N 3.12Å |
| 1131 | T | 73.6 | Confident | 71.5 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.4 | -34.5 | 176.1 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | I1116 H1127 N1128 L1135 H1150 L1155 | I1116-T1131 HydrophobicContact CD1-CG2 3.76Å; H1127-T1131 WeakPolarHBondContact O-CB 3.27Å; H1127-T1131 WeakPolarHBondContact O-CG2 3.2Å; H1127-T1131 PolarHBondContact O-N 3.19Å; H1127-T1131 PolarHBondContact O-OG1 2.84Å; N1128-T1131 PolarHBondContact O-OG1 3.25Å; N1128-T1131 VanDerWaalsContact O-OG1 3.11Å; T1131-L1135 PolarHBondContact O-N 3.32Å; T1131-L1135 VanDerWaalsContact O-N 3.08Å; T1131-H1150 WeakPolarHBondContact CB-NE2 3.42Å; T1131-H1150 WeakPolarHBondContact CG2-NE2 3.46Å; T1131-H1150 PolarHBondContact OG1-NE2 3.11Å; T1131-L1155 HydrophobicContact CG2-CD1 3.99Å; T1131-L1155 HydrophobicContact CG2-CD2 3.77Å; T1131-L1155 HydrophobicContact CG2-CG 4.22Å |
| 1132 | M | 76.8 | Confident | 72.7 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 50% | 0.502 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.6 | -35 | 171.7 | -73.8 | -65.4 | -72 | 0 | 0 | 113.5 | N1128 D1129 K1136 | N1128-M1132 WeakPolarHBondContact O-CB 3.43Å; N1128-M1132 WeakPolarHBondContact O-CG 3.18Å; N1128-M1132 PolarHBondContact O-N 2.76Å; D1129-M1132 PolarHBondContact O-N 3.49Å; M1132-K1136 WeakPolarHBondContact O-CG 3.23Å; M1132-K1136 PolarHBondContact O-N 3.05Å |
| 1133 | K | 79.2 | Confident | 73.9 | Confident | 98 Ų | 98 | 64.8 Ų | 64.8 | 43% | 0.426 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 170.7 | -70.8 | 164.1 | -156.6 | 162 | 0 | 110.9 | D1129 N1130 L1135 K1136 V1137 Y1185 | D1129-K1133 VanDerWaalsContact O-CG 3.24Å; D1129-K1133 WeakPolarHBondContact O-CG 3.24Å; D1129-K1133 PolarHBondContact O-N 3.24Å; N1130-K1133 PolarHBondContact O-N 3.19Å; N1130-K1133 PolarHBondContact OD1-NZ 3.42Å; K1133-L1135 VanDerWaalsContact C-N 3.35Å; K1133-L1135 PolarHBondContact O-N 2.95Å; K1133-K1136 PolarHBondContact O-N 3.36Å; K1133-V1137 PolarHBondContact O-N 3.38Å; K1133-Y1185 HydrophobicContact CB-CE1 4.38Å |
| 1134 | L | 81.7 | Confident | 75 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 179.5 | -172.2 | 161.9 | 0 | 0 | 0 | 111.6 | L1114 N1130 K1136 V1137 I1138 L1155 I1157 Y1185 I1187 | L1114-L1134 HydrophobicContact CD1-CD1 4.1Å; L1114-L1134 HydrophobicContact CD1-CD2 3.42Å; L1114-L1134 VanDerWaalsContact CD1-CD2 3.42Å; L1114-L1134 HydrophobicContact CD1-CG 4.4Å; N1130-L1134 WeakPolarHBondContact O-CB 3.33Å; N1130-L1134 PolarHBondContact O-N 3.12Å; L1134-K1136 PolarHBondContact O-N 3.5Å; L1134-V1137 PolarHBondContact O-N 3.28Å; L1134-V1137 VanDerWaalsContact O-N 3.17Å; L1134-I1138 HydrophobicContact CD2-CD1 3.54Å; L1134-I1138 HydrophobicContact CD2-CG1 4.39Å; L1134-I1138 PolarHBondContact O-N 3.38Å; L1134-L1155 HydrophobicContact CD1-CD1 4.17Å; L1134-L1155 HydrophobicContact CD2-CD1 4.07Å; L1134-I1157 HydrophobicContact CD2-CD1 4.2Å; L1134-Y1185 HydrophobicContact CB-CD1 4.05Å; L1134-Y1185 HydrophobicContact CB-CE1 4.36Å; L1134-Y1185 HydrophobicContact CD1-CD1 4.37Å; L1134-Y1185 HydrophobicContact CD1-CG 4.42Å; L1134-Y1185 HydrophobicContact CG-CD1 4.36Å; L1134-I1187 HydrophobicContact CD1-CD1 4.08Å; L1134-I1187 HydrophobicContact CD1-CG1 4.19Å |
| 1135 | L | 81.7 | Confident | 76.2 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 178.9 | 176.7 | 136.8 | 0 | 0 | 0 | 112.4 | T1131 K1133 V1137 I1138 Q1139 L1147 | T1131-L1135 PolarHBondContact O-N 3.32Å; T1131-L1135 VanDerWaalsContact O-N 3.08Å; K1133-L1135 VanDerWaalsContact C-N 3.35Å; K1133-L1135 PolarHBondContact O-N 2.95Å; L1135-V1137 VanDerWaalsContact C-N 3.3Å; L1135-V1137 PolarHBondContact O-N 3.22Å; L1135-I1138 PolarHBondContact O-N 2.85Å; L1135-Q1139 HydrophobicContact CD2-CG 4.38Å; L1135-Q1139 WeakPolarHBondContact O-CG 3.05Å; L1135-Q1139 PolarHBondContact O-N 3.45Å; L1135-L1147 HydrophobicContact CD1-CB 3.6Å; L1135-L1147 HydrophobicContact CD1-CD1 3.91Å; L1135-L1147 HydrophobicContact CD1-CG 4.3Å |
| 1136 | K | 81.9 | Confident | 77.3 | Confident | 136 Ų | 136 | 61.7 Ų | 61.7 | 59% | 0.591 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.6 | -39 | 175.4 | -74.9 | 175.2 | 176.9 | 179.4 | 0 | 112.2 | M1132 K1133 L1134 Q1139 L1140 | M1132-K1136 WeakPolarHBondContact O-CG 3.23Å; M1132-K1136 PolarHBondContact O-N 3.05Å; K1133-K1136 PolarHBondContact O-N 3.36Å; L1134-K1136 PolarHBondContact O-N 3.5Å; K1136-Q1139 PolarHBondContact O-N 2.94Å; K1136-L1140 PolarHBondContact O-N 2.95Å |
| 1137 | V | 82.3 | Confident | 78.3 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 176.9 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | K1133 L1134 L1135 Q1139 L1140 F1181 | K1133-V1137 PolarHBondContact O-N 3.38Å; L1134-V1137 PolarHBondContact O-N 3.28Å; L1134-V1137 VanDerWaalsContact O-N 3.17Å; L1135-V1137 VanDerWaalsContact C-N 3.3Å; L1135-V1137 PolarHBondContact O-N 3.22Å; V1137-Q1139 VanDerWaalsContact C-N 3.34Å; V1137-Q1139 PolarHBondContact O-N 3.28Å; V1137-L1140 WeakPolarHBondContact O-CB 3.49Å; V1137-L1140 PolarHBondContact O-N 3.18Å; V1137-F1181 HydrophobicContact CG1-CE2 3.86Å; V1137-F1181 HydrophobicContact CG1-CZ 3.91Å |
| 1138 | I | 83.2 | Confident | 78.7 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 177.3 | -70.2 | 174 | 0 | 0 | 0 | 111.4 | L1112 L1114 L1134 L1135 L1140 H1141 V1142 A1145 I1157 L1159 L1172 | L1112-I1138 HydrophobicContact CD2-CD1 3.86Å; L1114-I1138 HydrophobicContact CD1-CD1 4.02Å; L1134-I1138 HydrophobicContact CD2-CD1 3.54Å; L1134-I1138 HydrophobicContact CD2-CG1 4.39Å; L1134-I1138 PolarHBondContact O-N 3.38Å; L1135-I1138 PolarHBondContact O-N 2.85Å; I1138-L1140 PolarHBondContact O-N 3Å; I1138-H1141 PolarHBondContact O-N 3.35Å; I1138-H1141 VanDerWaalsContact O-N 3.14Å; I1138-V1142 PolarHBondContact O-N 2.73Å; I1138-V1142 VanDerWaalsContact O-N 3.16Å; I1138-A1145 HydrophobicContact CG2-CB 3.92Å; I1138-I1157 HydrophobicContact CD1-CD1 3.57Å; I1138-I1157 HydrophobicContact CG2-CG2 4.3Å; I1138-L1159 HydrophobicContact CG2-CD2 4.25Å; I1138-L1172 HydrophobicContact CG2-CD1 4.05Å |
| 1139 | Q | 85.2 | Confident | 78.9 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -22.5 | 174.6 | -74.7 | 179.1 | -28.7 | 0 | 0 | 114 | L1135 K1136 V1137 H1141 V1142 A1145 | L1135-Q1139 HydrophobicContact CD2-CG 4.38Å; L1135-Q1139 WeakPolarHBondContact O-CG 3.05Å; L1135-Q1139 PolarHBondContact O-N 3.45Å; K1136-Q1139 PolarHBondContact O-N 2.94Å; V1137-Q1139 VanDerWaalsContact C-N 3.34Å; V1137-Q1139 PolarHBondContact O-N 3.28Å; Q1139-H1141 VanDerWaalsContact C-N 3.28Å; Q1139-H1141 PolarHBondContact O-N 3.49Å; Q1139-V1142 CarbonylContact O-C 3.59Å; Q1139-A1145 HydrophobicContact CG-CB 4.1Å; Q1139-A1145 WeakPolarHBondContact CG-O 3.37Å; Q1139-A1145 PolarHBondContact NE2-O 3.46Å |
| 1140 | L | 84.9 | Confident | 78.7 | Confident | 144 Ų | 144 | 63.4 Ų | 63.4 | 75% | 0.754 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.7 | 173.5 | -67.8 | 171.9 | 0 | 0 | 0 | 113.4 | K1136 V1137 I1138 | K1136-L1140 PolarHBondContact O-N 2.95Å; V1137-L1140 WeakPolarHBondContact O-CB 3.49Å; V1137-L1140 PolarHBondContact O-N 3.18Å; I1138-L1140 PolarHBondContact O-N 3Å |
| 1141 | H | 82.3 | Confident | 78.4 | Confident | 51 Ų | 51 | 65 Ų | 65 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -31.9 | 176.5 | -73.2 | -88.9 | 0 | 0 | 0 | 113.1 | I1138 Q1139 T1171 L1172 Q1175 | I1138-H1141 PolarHBondContact O-N 3.35Å; I1138-H1141 VanDerWaalsContact O-N 3.14Å; Q1139-H1141 VanDerWaalsContact C-N 3.28Å; Q1139-H1141 PolarHBondContact O-N 3.49Å; H1141-T1171 WeakPolarHBondContact CE1-CB 3.39Å; H1141-T1171 PolarHBondContact CE1-OG1 2.73Å; H1141-T1171 WeakPolarHBondContact ND1-CB 3.32Å; H1141-T1171 PolarHBondContact ND1-OG1 3.24Å; H1141-L1172 HydrophobicContact CB-CB 3.93Å; H1141-L1172 HydrophobicContact CB-CD1 4.31Å; H1141-L1172 HydrophobicContact CB-CG 4.46Å; H1141-L1172 PolarHBondContact CE1-N 3.35Å; H1141-L1172 VanDerWaalsContact CE1-N 3.32Å; H1141-Q1175 PolarHBondContact NE2-NE2 3.18Å |
| 1142 | V | 82.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -139.8 | 95.2 | -175.6 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | I1138 Q1139 D1144 A1145 L1159 P1160 K1168 F1169 L1172 | I1138-V1142 PolarHBondContact O-N 2.73Å; I1138-V1142 VanDerWaalsContact O-N 3.16Å; Q1139-V1142 CarbonylContact O-C 3.59Å; V1142-D1144 PolarHBondContact O-N 2.74Å; V1142-D1144 VanDerWaalsContact O-N 3.13Å; V1142-A1145 HydrophobicContact CB-CB 4.34Å; V1142-A1145 HydrophobicContact CG1-CB 4.34Å; V1142-A1145 WeakPolarHBondContact O-CB 3.47Å; V1142-A1145 PolarHBondContact O-N 3.35Å; V1142-L1159 HydrophobicContact CB-CD2 4.09Å; V1142-L1159 HydrophobicContact CG1-CD2 3.94Å; V1142-L1159 HydrophobicContact CG2-CD2 4.34Å; V1142-P1160 HydrophobicContact CG1-CG 4.03Å; V1142-K1168 HydrophobicContact CG2-CB 4.43Å; V1142-F1169 HydrophobicContact CG2-CD1 4.12Å; V1142-F1169 HydrophobicContact CG2-CE1 4.18Å; V1142-L1172 HydrophobicContact CB-CD1 4.37Å; V1142-L1172 HydrophobicContact CG2-CD1 3.67Å | ||
| 1143 | N | 78.1 | Confident | 77.4 | Confident | 118 Ų | 118 | 67.2 Ų | 67.2 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -38.6 | -171.7 | -55.6 | 31.8 | 0 | 0 | 0 | 113.3 | A1145 | N1143-A1145 PolarHBondContact O-N 3.48Š|
| 1144 | D | 78.3 | Confident | 77 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 21.3 | -177.2 | -48.8 | -40.5 | 0 | 0 | 0 | 113.2 | V1142 N1146 H1158 P1160 | V1142-D1144 PolarHBondContact O-N 2.74Å; V1142-D1144 VanDerWaalsContact O-N 3.13Å; D1144-N1146 PolarHBondContact O-N 3.48Å; D1144-H1158 PolarHBondContact O-ND1 3.23Å; D1144-P1160 HydrophobicContact CB-CG 4.11Å |
| 1145 | A | 80 | Confident | 76.9 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | trans | -78.5 | 118.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1138 Q1139 V1142 N1143 I1157 H1158 L1159 | I1138-A1145 HydrophobicContact CG2-CB 3.92Å; Q1139-A1145 HydrophobicContact CG-CB 4.1Å; Q1139-A1145 WeakPolarHBondContact CG-O 3.37Å; Q1139-A1145 PolarHBondContact NE2-O 3.46Å; V1142-A1145 HydrophobicContact CB-CB 4.34Å; V1142-A1145 HydrophobicContact CG1-CB 4.34Å; V1142-A1145 WeakPolarHBondContact O-CB 3.47Å; V1142-A1145 PolarHBondContact O-N 3.35Å; N1143-A1145 PolarHBondContact O-N 3.48Å; A1145-I1157 HydrophobicContact CB-CG2 4.15Å; A1145-H1158 VanDerWaalsContact CA-O 3.25Å; A1145-H1158 WeakPolarHBondContact CA-O 3.39Å; A1145-L1159 HydrophobicContact CB-CD2 3.86Å | ||
| 1146 | N | 81.7 | Confident | 76.9 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.2 | -172 | -70.4 | -38.2 | 0 | 0 | 0 | 112.1 | D1144 L1148 I1157 H1158 | D1144-N1146 PolarHBondContact O-N 3.48Å; N1146-L1148 PolarHBondContact O-N 2.61Å; N1146-I1157 CarbonylContact O-C 3.52Å; N1146-I1157 WeakPolarHBondContact O-CA 3.05Å; N1146-H1158 HydrophobicContact CB-CB 4.21Å; N1146-H1158 PolarHBondContact N-O 2.88Å; N1146-H1158 PolarHBondContact O-N 3.46Å |
| 1147 | L | 80.6 | Confident | 77 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 40% | 0.398 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 129 | 171.6 | -161 | 73.2 | 0 | 0 | 0 | 110 | L1135 H1150 L1155 I1157 | L1135-L1147 HydrophobicContact CD1-CB 3.6Å; L1135-L1147 HydrophobicContact CD1-CD1 3.91Å; L1135-L1147 HydrophobicContact CD1-CG 4.3Å; L1147-H1150 HydrophobicContact CD2-CB 4.37Å; L1147-L1155 HydrophobicContact CD1-CD2 4.36Å; L1147-I1157 HydrophobicContact CD1-CG1 4.27Å |
| 1148 | L | 71.3 | Confident | 77.1 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 48% | 0.482 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -34.7 | 174.6 | -68.7 | 177 | 0 | 0 | 0 | 112.8 | H1111 N1146 I1156 H1158 | H1111-L1148 VanDerWaalsContact CE1-CD1 3.42Å; H1111-L1148 WeakPolarHBondContact CE1-CD1 3.49Å; H1111-L1148 VanDerWaalsContact ND1-CD1 3.34Å; H1111-L1148 WeakPolarHBondContact ND1-CD1 3.37Å; N1146-L1148 PolarHBondContact O-N 2.61Å; L1148-I1156 HydrophobicContact CB-CB 4.49Å; L1148-I1156 HydrophobicContact CB-CG2 4.23Å; L1148-I1156 HydrophobicContact CD1-CG2 4.36Å; L1148-I1156 PolarHBondContact N-O 3.08Å; L1148-H1158 HydrophobicContact CD1-CB 3.9Å; L1148-H1158 HydrophobicContact CD2-CB 4.28Å; L1148-H1158 HydrophobicContact CG-CB 3.95Å |
| 1149 | N | 68.8 | Low | 77.2 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 148.6 | -178.1 | -151.6 | -11.2 | 0 | 0 | 0 | 112 | I1156 | N1149-I1156 HydrophobicContact CB-CB 4.13Å; N1149-I1156 HydrophobicContact CB-CD1 4.13Å; N1149-I1156 HydrophobicContact CB-CG1 4.26Å; N1149-I1156 PolarHBondContact N-O 3.14Å; N1149-I1156 PolarHBondContact O-N 3.36Å |
| 1150 | H | 67.9 | Low | 77 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 29% | 0.292 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 108.8 | -177 | -175.8 | -69.5 | 0 | 0 | 0 | 109.8 | N1128 T1131 L1147 L1155 | N1128-H1150 PolarHBondContact OD1-CE1 3.4Å; T1131-H1150 WeakPolarHBondContact CB-NE2 3.42Å; T1131-H1150 WeakPolarHBondContact CG2-NE2 3.46Å; T1131-H1150 PolarHBondContact OG1-NE2 3.11Å; L1147-H1150 HydrophobicContact CD2-CB 4.37Å; H1150-L1155 HydrophobicContact CB-CD2 4.41Å; H1150-L1155 VanDerWaalsContact CD2-CD2 3.42Å; H1150-L1155 WeakPolarHBondContact CD2-CD2 3.41Å |
| 1151 | N | 65.3 | Low | 76.5 | Confident | 98 Ų | 98 | 53.9 Ų | 53.9 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 156.3 | 167.1 | -73.8 | -25.1 | 0 | 0 | 0 | 108.5 | S1153 K1154 | N1151-S1153 PolarHBondContact O-N 3.04Å; N1151-K1154 HydrophobicContact CB-CB 4.39Å; N1151-K1154 PolarHBondContact N-O 3.36Å; N1151-K1154 PolarHBondContact O-N 2.77Å |
| 1152 | L | 61.3 | Low | 76.1 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 58% | 0.581 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -34.8 | 179.7 | -69 | 171.6 | 0 | 0 | 0 | 114.6 | H1127 | H1127-L1152 PolarHBondContact CE1-O 3.42Š|
| 1153 | S | 66.3 | Low | 75.8 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 0.2 | 176.5 | 64.3 | 0 | 0 | 0 | 0 | 114.9 | E1115 I1116 N1151 | E1115-S1153 CarbonylContact C-O 3.59Å; E1115-S1153 VanDerWaalsContact CA-O 3.31Å; E1115-S1153 WeakPolarHBondContact CA-O 3.36Å; I1116-S1153 PolarHBondContact N-O 3.18Å; N1151-S1153 PolarHBondContact O-N 3.04Å |
| 1154 | K | 71.7 | Confident | 75.6 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 27% | 0.27 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 123.3 | -171.8 | -171.2 | 166.7 | -174.7 | 164.4 | 0 | 114.5 | S1113 L1114 N1151 | S1113-K1154 VanDerWaalsContact CB-CE 3.47Å; S1113-K1154 WeakPolarHBondContact OG-CE 3.28Å; L1114-K1154 VanDerWaalsContact O-CA 3.31Å; L1114-K1154 WeakPolarHBondContact O-CA 3.39Å; N1151-K1154 HydrophobicContact CB-CB 4.39Å; N1151-K1154 PolarHBondContact N-O 3.36Å; N1151-K1154 PolarHBondContact O-N 2.77Å |
| 1155 | L | 79.8 | Confident | 75.4 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 149.8 | 167.1 | -59.4 | 179.6 | 0 | 0 | 0 | 111.1 | S1113 L1114 I1116 T1131 L1134 L1147 H1150 | S1113-L1155 VanDerWaalsContact CA-O 3.3Å; S1113-L1155 WeakPolarHBondContact CA-O 3.02Å; L1114-L1155 HydrophobicContact CB-CB 4.32Å; L1114-L1155 HydrophobicContact CD1-CD1 4.41Å; L1114-L1155 PolarHBondContact N-O 2.88Å; L1114-L1155 PolarHBondContact O-N 3.3Å; I1116-L1155 HydrophobicContact CD1-CD1 3.93Å; I1116-L1155 HydrophobicContact CD1-CG 3.93Å; T1131-L1155 HydrophobicContact CG2-CD1 3.99Å; T1131-L1155 HydrophobicContact CG2-CD2 3.77Å; T1131-L1155 HydrophobicContact CG2-CG 4.22Å; L1134-L1155 HydrophobicContact CD1-CD1 4.17Å; L1134-L1155 HydrophobicContact CD2-CD1 4.07Å; L1147-L1155 HydrophobicContact CD1-CD2 4.36Å; H1150-L1155 HydrophobicContact CB-CD2 4.41Å; H1150-L1155 VanDerWaalsContact CD2-CD2 3.42Å; H1150-L1155 WeakPolarHBondContact CD2-CD2 3.41Å |
| 1156 | I | 80.7 | Confident | 75.2 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.8 | 168.6 | -53.3 | -178.1 | 0 | 0 | 0 | 109 | H1111 L1112 L1148 N1149 | H1111-I1156 HydrophobicContact CB-CG2 4.34Å; L1112-I1156 WeakPolarHBondContact O-CA 3.45Å; L1148-I1156 HydrophobicContact CB-CB 4.49Å; L1148-I1156 HydrophobicContact CB-CG2 4.23Å; L1148-I1156 HydrophobicContact CD1-CG2 4.36Å; L1148-I1156 PolarHBondContact N-O 3.08Å; N1149-I1156 HydrophobicContact CB-CB 4.13Å; N1149-I1156 HydrophobicContact CB-CD1 4.13Å; N1149-I1156 HydrophobicContact CB-CG1 4.26Å; N1149-I1156 PolarHBondContact N-O 3.14Å; N1149-I1156 PolarHBondContact O-N 3.36Å |
| 1157 | I | 85 | Confident | 74.8 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.1 | -174.5 | -61 | 171.2 | 0 | 0 | 0 | 109.7 | H1111 L1112 L1114 L1134 I1138 A1145 N1146 L1147 | H1111-I1157 CarbonylContact C-O 3.6Å; H1111-I1157 WeakPolarHBondContact CA-O 3.36Å; L1112-I1157 PolarHBondContact N-O 2.94Å; L1112-I1157 PolarHBondContact O-N 3.12Å; L1114-I1157 HydrophobicContact CD1-CD1 4.18Å; L1134-I1157 HydrophobicContact CD2-CD1 4.2Å; I1138-I1157 HydrophobicContact CD1-CD1 3.57Å; I1138-I1157 HydrophobicContact CG2-CG2 4.3Å; A1145-I1157 HydrophobicContact CB-CG2 4.15Å; N1146-I1157 CarbonylContact O-C 3.52Å; N1146-I1157 WeakPolarHBondContact O-CA 3.05Å; L1147-I1157 HydrophobicContact CD1-CG1 4.27Å |
| 1158 | H | 83.2 | Confident | 74.8 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 17% | 0.171 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141 | 171.9 | 176.5 | -92.6 | 0 | 0 | 0 | 111.3 | S1108 D1144 A1145 N1146 L1148 | S1108-H1158 PolarHBondContact O-CD2 3.37Å; S1108-H1158 PolarHBondContact O-NE2 3.46Å; D1144-H1158 PolarHBondContact O-ND1 3.23Å; A1145-H1158 VanDerWaalsContact CA-O 3.25Å; A1145-H1158 WeakPolarHBondContact CA-O 3.39Å; N1146-H1158 HydrophobicContact CB-CB 4.21Å; N1146-H1158 PolarHBondContact N-O 2.88Å; N1146-H1158 PolarHBondContact O-N 3.46Å; L1148-H1158 HydrophobicContact CD1-CB 3.9Å; L1148-H1158 HydrophobicContact CD2-CB 4.28Å; L1148-H1158 HydrophobicContact CG-CB 3.95Å |
| 1159 | L | 85.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.6 | 169.8 | -58.9 | 171.9 | 0 | 0 | 0 | 108.8 | G1109 Y1110 L1112 I1138 V1142 A1145 F1169 L1172 | G1109-L1159 CarbonylContact C-O 3.55Å; G1109-L1159 WeakPolarHBondContact CA-O 3.16Å; Y1110-L1159 PolarHBondContact N-O 3.43Å; Y1110-L1159 PolarHBondContact O-N 3.45Å; L1112-L1159 HydrophobicContact CB-CD1 3.94Å; L1112-L1159 HydrophobicContact CB-CG 4.47Å; I1138-L1159 HydrophobicContact CG2-CD2 4.25Å; V1142-L1159 HydrophobicContact CB-CD2 4.09Å; V1142-L1159 HydrophobicContact CG1-CD2 3.94Å; V1142-L1159 HydrophobicContact CG2-CD2 4.34Å; A1145-L1159 HydrophobicContact CB-CD2 3.86Å; L1159-F1169 HydrophobicContact CB-CE1 4.11Å; L1159-F1169 HydrophobicContact CB-CZ 3.7Å; L1159-F1169 HydrophobicContact CD1-CZ 4.33Å; L1159-L1172 HydrophobicContact CD1-CD1 4.35Å; L1159-L1172 HydrophobicContact CD2-CD1 4Å |
| 1160 | P | 81.4 | Confident | 76.1 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | trans | -63.5 | 145.1 | -178.2 | 28 | -37.6 | 0 | 0 | 0 | 113.2 | V1142 D1144 S1162 D1163 F1169 | V1142-P1160 HydrophobicContact CG1-CG 4.03Å; D1144-P1160 HydrophobicContact CB-CG 4.11Å; P1160-S1162 PolarHBondContact O-N 3.23Å; P1160-D1163 HydrophobicContact CG-CB 4.26Å; P1160-F1169 VanDerWaalsContact O-CZ 3.3Å; P1160-F1169 WeakPolarHBondContact O-CZ 3.42Å | ||
| 1161 | T | 74.1 | Confident | 76.9 | Confident | 49 Ų | 49 | 40.7 Ų | 40.7 | 30% | 0.301 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -67.8 | -29.9 | 179 | 26.6 | 0 | 0 | 0 | 0 | 114 | Y1110 D1163 A1164 | Y1110-T1161 HydrophobicContact CD2-CG2 4.01Å; Y1110-T1161 HydrophobicContact CE2-CG2 3.98Å; T1161-D1163 VanDerWaalsContact C-N 3.3Å; T1161-D1163 PolarHBondContact O-N 3.45Å; T1161-A1164 WeakPolarHBondContact O-CB 3.12Å; T1161-A1164 PolarHBondContact O-N 2.97Å |
| 1162 | S | 74.9 | Confident | 77.9 | Confident | 72 Ų | 72 | 36.2 Ų | 36.2 | 50% | 0.503 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -59 | -39.3 | 178.8 | 43.9 | 0 | 0 | 0 | 0 | 112.7 | P1160 A1164 N1166 | P1160-S1162 PolarHBondContact O-N 3.23Å; S1162-A1164 VanDerWaalsContact C-N 3.28Å; S1162-A1164 PolarHBondContact O-N 3.35Å; S1162-N1166 PolarHBondContact O-ND2 3.11Å; S1162-N1166 VanDerWaalsContact O-ND2 3.16Å |
| 1163 | D | 76.6 | Confident | 79 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.032 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -78.3 | -9.3 | -173.4 | -76.7 | -23 | 0 | 0 | 0 | 114.8 | P1160 T1161 L1165 N1166 K1168 F1169 | P1160-D1163 HydrophobicContact CG-CB 4.26Å; T1161-D1163 VanDerWaalsContact C-N 3.3Å; T1161-D1163 PolarHBondContact O-N 3.45Å; D1163-L1165 VanDerWaalsContact C-N 3.28Å; D1163-L1165 PolarHBondContact O-N 2.96Å; D1163-N1166 PolarHBondContact O-N 3.34Å; D1163-N1166 PolarHBondContact OD1-ND2 3.44Å; D1163-K1168 HydrophobicContact CB-CB 4.34Å; D1163-K1168 HydrophobicContact CB-CD 4.13Å; D1163-K1168 HydrophobicContact CB-CG 4.49Å; D1163-K1168 VanDerWaalsContact CG-CE 3.49Å; D1163-K1168 WeakPolarHBondContact OD1-CE 3.5Å; D1163-K1168 IonicContact OD1-NZ 2.88Å; D1163-K1168 PolarHBondContact OD1-NZ 2.66Å; D1163-K1168 WeakPolarHBondContact OD2-CD 3.04Å; D1163-K1168 WeakPolarHBondContact OD2-CE 3.42Å; D1163-K1168 IonicContact OD2-NZ 2.73Å; D1163-K1168 PolarHBondContact OD2-NZ 3.14Å; D1163-F1169 HydrophobicContact CB-CD1 4.07Å; D1163-F1169 HydrophobicContact CB-CE1 3.71Å |
| 1164 | A | 74.6 | Confident | 79.9 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -66.9 | -27.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1110 T1161 S1162 F1169 F2142 | Y1110-A1164 HydrophobicContact CD2-CB 4.43Å; Y1110-A1164 HydrophobicContact CE2-CB 3.75Å; T1161-A1164 WeakPolarHBondContact O-CB 3.12Å; T1161-A1164 PolarHBondContact O-N 2.97Å; S1162-A1164 VanDerWaalsContact C-N 3.28Å; S1162-A1164 PolarHBondContact O-N 3.35Å; A1164-F1169 HydrophobicContact CB-CD2 3.89Å; A1164-F1169 HydrophobicContact CB-CE2 3.73Å; A1164-F1169 HydrophobicContact CB-CZ 4.27Å; A1164-F2142 HydrophobicContact CB-CE1 4.29Å |
| 1165 | L | 73.2 | Confident | 80.6 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -22 | 175 | -69.7 | 177.8 | 0 | 0 | 0 | 112.9 | D1163 G1167 N2149 I2157 | D1163-L1165 VanDerWaalsContact C-N 3.28Å; D1163-L1165 PolarHBondContact O-N 2.96Å; L1165-G1167 PolarHBondContact O-N 2.77Å; L1165-N2149 HydrophobicContact CD2-CB 4.14Å; L1165-I2157 HydrophobicContact CD2-CD1 3.55Å; L1165-I2157 HydrophobicContact CD2-CG1 4.09Å |
| 1166 | N | 74.9 | Confident | 80.8 | Confident | 103 Ų | 103 | 34.5 Ų | 34.5 | 55% | 0.551 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -83.7 | 18.4 | -173.9 | -60.9 | -21.1 | 0 | 0 | 0 | 113.7 | S1162 D1163 K1168 | S1162-N1166 PolarHBondContact O-ND2 3.11Å; S1162-N1166 VanDerWaalsContact O-ND2 3.16Å; D1163-N1166 PolarHBondContact O-N 3.34Å; D1163-N1166 PolarHBondContact OD1-ND2 3.44Å; N1166-K1168 PolarHBondContact O-N 3.42Å |
| 1167 | G | 74.5 | Confident | 80.7 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 72.1 | -23.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1165 F1169 T1170 | L1165-G1167 PolarHBondContact O-N 2.77Å; G1167-F1169 PolarHBondContact O-N 3.35Å; G1167-T1170 PolarHBondContact O-N 3.11Å; G1167-T1170 PolarHBondContact O-OG1 3.38Å |
| 1168 | K | 80.6 | Confident | 80.7 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -49.8 | -40.9 | -177 | -60.1 | -168 | -160.2 | 161.3 | 0 | 113.1 | V1142 D1163 N1166 T1170 T1171 L1172 | V1142-K1168 HydrophobicContact CG2-CB 4.43Å; D1163-K1168 HydrophobicContact CB-CB 4.34Å; D1163-K1168 HydrophobicContact CB-CD 4.13Å; D1163-K1168 HydrophobicContact CB-CG 4.49Å; D1163-K1168 VanDerWaalsContact CG-CE 3.49Å; D1163-K1168 WeakPolarHBondContact OD1-CE 3.5Å; D1163-K1168 IonicContact OD1-NZ 2.88Å; D1163-K1168 PolarHBondContact OD1-NZ 2.66Å; D1163-K1168 WeakPolarHBondContact OD2-CD 3.04Å; D1163-K1168 WeakPolarHBondContact OD2-CE 3.42Å; D1163-K1168 IonicContact OD2-NZ 2.73Å; D1163-K1168 PolarHBondContact OD2-NZ 3.14Å; N1166-K1168 PolarHBondContact O-N 3.42Å; K1168-T1170 VanDerWaalsContact C-N 3.27Å; K1168-T1170 PolarHBondContact O-N 2.77Å; K1168-T1171 PolarHBondContact O-N 3.39Å; K1168-T1171 PolarHBondContact O-OG1 2.95Å; K1168-L1172 PolarHBondContact O-N 3.45Å |
| 1169 | F | 84.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -26.7 | 179.3 | -78.9 | 26.2 | 0 | 0 | 0 | 113.6 | Y1110 V1142 L1159 P1160 D1163 A1164 G1167 F1173 I1192 F2142 | Y1110-F1169 AromaticContact CD2-CE2 3.79Å; Y1110-F1169 HydrophobicContact CD2-CE2 3.79Å; Y1110-F1169 HydrophobicContact CD2-CZ 4.18Å; Y1110-F1169 HydrophobicContact CE2-CE2 4.25Å; Y1110-F1169 HydrophobicContact CG-CE2 4.11Å; V1142-F1169 HydrophobicContact CG2-CD1 4.12Å; V1142-F1169 HydrophobicContact CG2-CE1 4.18Å; L1159-F1169 HydrophobicContact CB-CE1 4.11Å; L1159-F1169 HydrophobicContact CB-CZ 3.7Å; L1159-F1169 HydrophobicContact CD1-CZ 4.33Å; P1160-F1169 VanDerWaalsContact O-CZ 3.3Å; P1160-F1169 WeakPolarHBondContact O-CZ 3.42Å; D1163-F1169 HydrophobicContact CB-CD1 4.07Å; D1163-F1169 HydrophobicContact CB-CE1 3.71Å; A1164-F1169 HydrophobicContact CB-CD2 3.89Å; A1164-F1169 HydrophobicContact CB-CE2 3.73Å; A1164-F1169 HydrophobicContact CB-CZ 4.27Å; G1167-F1169 PolarHBondContact O-N 3.35Å; F1169-F1173 HydrophobicContact CB-CD2 4.35Å; F1169-F1173 HydrophobicContact CB-CE2 4.34Å; F1169-F1173 HydrophobicContact CD2-CE2 4.2Å; F1169-F1173 HydrophobicContact CG-CE2 4.47Å; F1169-F1173 WeakPolarHBondContact O-CD2 3.47Å; F1169-F1173 PolarHBondContact O-N 3.05Å; F1169-I1192 HydrophobicContact CE2-CD1 4.48Å; F1169-F2142 HydrophobicContact CB-CD1 3.97Å; F1169-F2142 HydrophobicContact CB-CE1 4.18Å; F1169-F2142 HydrophobicContact CB-CG 4.16Å; F1169-F2142 HydrophobicContact CD2-CD1 4.21Å; F1169-F2142 AromaticContact CD2-CE1 3.57Å; F1169-F2142 HydrophobicContact CD2-CE1 3.57Å; F1169-F2142 HydrophobicContact CD2-CE2 4.5Å; F1169-F2142 AromaticContact CD2-CZ 3.74Å; F1169-F2142 HydrophobicContact CD2-CZ 3.74Å; F1169-F2142 HydrophobicContact CE2-CE1 4.44Å; F1169-F2142 HydrophobicContact CG-CE1 4.37Å |
| 1170 | T | 83.6 | Confident | 80.1 | Confident | 20 Ų | 20 | 47 Ų | 47 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 110.5 | G1167 K1168 L1172 F1173 Q1174 W2139 F2142 H2143 | G1167-T1170 PolarHBondContact O-N 3.11Å; G1167-T1170 PolarHBondContact O-OG1 3.38Å; K1168-T1170 VanDerWaalsContact C-N 3.27Å; K1168-T1170 PolarHBondContact O-N 2.77Å; T1170-L1172 PolarHBondContact O-N 3.27Å; T1170-F1173 PolarHBondContact O-N 3.39Å; T1170-Q1174 WeakPolarHBondContact O-CB 3.41Å; T1170-Q1174 PolarHBondContact O-N 2.94Å; T1170-W2139 VanDerWaalsContact O-CB 3.31Å; T1170-W2139 WeakPolarHBondContact O-CB 3.44Å; T1170-F2142 HydrophobicContact CG2-CB 3.67Å; T1170-H2143 HydrophobicContact CG2-CB 4.19Å |
| 1171 | T | 83.6 | Confident | 80.1 | Confident | 50 Ų | 50 | 47.4 Ų | 47.4 | 31% | 0.307 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | -179 | 69 | 0 | 0 | 0 | 0 | 112.3 | H1141 K1168 Q1174 Q1175 | H1141-T1171 WeakPolarHBondContact CE1-CB 3.39Å; H1141-T1171 PolarHBondContact CE1-OG1 2.73Å; H1141-T1171 WeakPolarHBondContact ND1-CB 3.32Å; H1141-T1171 PolarHBondContact ND1-OG1 3.24Å; K1168-T1171 PolarHBondContact O-N 3.39Å; K1168-T1171 PolarHBondContact O-OG1 2.95Å; T1171-Q1174 PolarHBondContact O-N 3.48Å; T1171-Q1175 PolarHBondContact O-N 2.86Å |
| 1172 | L | 85.6 | Confident | 80.4 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -50.1 | 175.9 | 179.3 | 152.1 | 0 | 0 | 0 | 111.1 | I1138 H1141 V1142 L1159 K1168 T1170 Q1174 Q1175 L1176 | I1138-L1172 HydrophobicContact CG2-CD1 4.05Å; H1141-L1172 HydrophobicContact CB-CB 3.93Å; H1141-L1172 HydrophobicContact CB-CD1 4.31Å; H1141-L1172 HydrophobicContact CB-CG 4.46Å; H1141-L1172 PolarHBondContact CE1-N 3.35Å; H1141-L1172 VanDerWaalsContact CE1-N 3.32Å; V1142-L1172 HydrophobicContact CB-CD1 4.37Å; V1142-L1172 HydrophobicContact CG2-CD1 3.67Å; L1159-L1172 HydrophobicContact CD1-CD1 4.35Å; L1159-L1172 HydrophobicContact CD2-CD1 4Å; K1168-L1172 PolarHBondContact O-N 3.45Å; T1170-L1172 PolarHBondContact O-N 3.27Å; L1172-Q1174 VanDerWaalsContact C-N 3.31Å; L1172-Q1174 PolarHBondContact O-N 2.93Å; L1172-Q1175 PolarHBondContact O-N 2.93Å; L1172-L1176 HydrophobicContact CD2-CD1 3.62Å; L1172-L1176 HydrophobicContact CD2-CG 4.4Å; L1172-L1176 PolarHBondContact O-N 2.92Å; L1172-L1176 VanDerWaalsContact O-N 3.1Å |
| 1173 | F | 85.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.1 | -26.1 | 179.4 | -70.5 | -60.6 | 0 | 0 | 0 | 112.7 | L1112 F1169 T1170 Q1175 L1176 D1177 Y1190 I1192 L2138 W2139 F2142 | L1112-F1173 HydrophobicContact CD1-CE1 4.1Å; F1169-F1173 HydrophobicContact CB-CD2 4.35Å; F1169-F1173 HydrophobicContact CB-CE2 4.34Å; F1169-F1173 HydrophobicContact CD2-CE2 4.2Å; F1169-F1173 HydrophobicContact CG-CE2 4.47Å; F1169-F1173 WeakPolarHBondContact O-CD2 3.47Å; F1169-F1173 PolarHBondContact O-N 3.05Å; T1170-F1173 PolarHBondContact O-N 3.39Å; F1173-Q1175 VanDerWaalsContact C-N 3.28Å; F1173-Q1175 PolarHBondContact O-N 2.67Å; F1173-L1176 HydrophobicContact CD1-CB 4.46Å; F1173-L1176 HydrophobicContact CD1-CD1 3.9Å; F1173-L1176 HydrophobicContact CE1-CD1 3.89Å; F1173-L1176 PolarHBondContact O-N 3.19Å; F1173-D1177 VanDerWaalsContact O-CB 3.25Å; F1173-D1177 WeakPolarHBondContact O-CB 3.4Å; F1173-D1177 PolarHBondContact O-N 2.96Å; F1173-D1177 VanDerWaalsContact O-OD2 3.12Å; F1173-Y1190 AromaticContact CD1-CE2 3.81Å; F1173-Y1190 HydrophobicContact CD1-CE2 3.81Å; F1173-Y1190 HydrophobicContact CE1-CD2 4.33Å; F1173-Y1190 AromaticContact CE1-CE2 3.89Å; F1173-Y1190 HydrophobicContact CE1-CE2 3.89Å; F1173-I1192 HydrophobicContact CE2-CD1 3.87Å; F1173-I1192 HydrophobicContact CZ-CB 4.07Å; F1173-I1192 HydrophobicContact CZ-CD1 3.68Å; F1173-I1192 HydrophobicContact CZ-CG1 4.03Å; F1173-L2138 HydrophobicContact CB-CB 4.32Å; F1173-L2138 HydrophobicContact CB-CG 4.41Å; F1173-L2138 HydrophobicContact CD1-CD2 3.56Å; F1173-L2138 HydrophobicContact CD1-CG 4.22Å; F1173-L2138 HydrophobicContact CD2-CD2 4.05Å; F1173-L2138 HydrophobicContact CD2-CG 4.2Å; F1173-L2138 HydrophobicContact CE1-CD2 3.64Å; F1173-L2138 HydrophobicContact CE2-CD2 4.13Å; F1173-L2138 HydrophobicContact CG-CB 4.35Å; F1173-L2138 HydrophobicContact CG-CD2 3.81Å; F1173-L2138 HydrophobicContact CG-CG 4Å; F1173-L2138 HydrophobicContact CZ-CD2 3.95Å; F1173-W2139 HydrophobicContact CB-CB 4.03Å; F1173-F2142 AromaticContact CD2-CD2 3.68Å; F1173-F2142 HydrophobicContact CD2-CD2 3.68Å; F1173-F2142 AromaticContact CD2-CE2 3.55Å; F1173-F2142 HydrophobicContact CD2-CE2 3.55Å; F1173-F2142 HydrophobicContact CD2-CZ 4.46Å; F1173-F2142 HydrophobicContact CE2-CD2 4.1Å; F1173-F2142 AromaticContact CE2-CE2 3.5Å; F1173-F2142 HydrophobicContact CE2-CE2 3.5Å; F1173-F2142 VanDerWaalsContact CE2-CE2 3.5Å; F1173-F2142 HydrophobicContact CE2-CZ 4.05Å |
| 1174 | Q | 85.7 | Confident | 80.7 | Confident | 108 Ų | 108 | 56.6 Ų | 56.6 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -30.7 | 172.9 | -173.3 | 177.2 | -4.3 | 0 | 0 | 112.6 | T1170 T1171 L1172 W2139 | T1170-Q1174 WeakPolarHBondContact O-CB 3.41Å; T1170-Q1174 PolarHBondContact O-N 2.94Å; T1171-Q1174 PolarHBondContact O-N 3.48Å; L1172-Q1174 VanDerWaalsContact C-N 3.31Å; L1172-Q1174 PolarHBondContact O-N 2.93Å; Q1174-W2139 HydrophobicContact CB-CB 4.09Å; Q1174-W2139 HydrophobicContact CB-CG 3.98Å; Q1174-W2139 HydrophobicContact CG-CG 4.43Å |
| 1175 | Q | 85.4 | Confident | 80.7 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -78 | -44.5 | 168.8 | -71 | -162.1 | -1 | 0 | 0 | 112.8 | H1141 T1171 L1172 F1173 D1177 N1178 F1181 | H1141-Q1175 PolarHBondContact NE2-NE2 3.18Å; T1171-Q1175 PolarHBondContact O-N 2.86Å; L1172-Q1175 PolarHBondContact O-N 2.93Å; F1173-Q1175 VanDerWaalsContact C-N 3.28Å; F1173-Q1175 PolarHBondContact O-N 2.67Å; Q1175-D1177 VanDerWaalsContact C-N 3.25Å; Q1175-D1177 PolarHBondContact O-N 3.12Å; Q1175-N1178 WeakPolarHBondContact O-CB 3.33Å; Q1175-N1178 PolarHBondContact O-N 3.27Å; Q1175-F1181 WeakPolarHBondContact O-CB 3.43Å |
| 1176 | L | 83.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -27 | 179.8 | -67.3 | 179.1 | 0 | 0 | 0 | 113.5 | L1112 L1172 F1173 N1178 F1181 Q1182 Y1190 | L1112-L1176 HydrophobicContact CD1-CD1 4.02Å; L1112-L1176 HydrophobicContact CD2-CD1 3.8Å; L1172-L1176 HydrophobicContact CD2-CD1 3.62Å; L1172-L1176 HydrophobicContact CD2-CG 4.4Å; L1172-L1176 PolarHBondContact O-N 2.92Å; L1172-L1176 VanDerWaalsContact O-N 3.1Å; F1173-L1176 HydrophobicContact CD1-CB 4.46Å; F1173-L1176 HydrophobicContact CD1-CD1 3.9Å; F1173-L1176 HydrophobicContact CE1-CD1 3.89Å; F1173-L1176 PolarHBondContact O-N 3.19Å; L1176-N1178 VanDerWaalsContact C-N 3.3Å; L1176-F1181 HydrophobicContact CD2-CD1 4.09Å; L1176-F1181 HydrophobicContact CD2-CE1 3.73Å; L1176-Q1182 PolarHBondContact O-NE2 3.24Å; L1176-Y1190 HydrophobicContact CB-CD1 4.23Å; L1176-Y1190 HydrophobicContact CB-CE1 4.03Å |
| 1177 | D | 80.3 | Confident | 80.9 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 23% | 0.225 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4 | 172.8 | -74.7 | -45.1 | 0 | 0 | 0 | 113.6 | F1173 Q1175 Y1190 P2137 L2138 W2139 | F1173-D1177 VanDerWaalsContact O-CB 3.25Å; F1173-D1177 WeakPolarHBondContact O-CB 3.4Å; F1173-D1177 PolarHBondContact O-N 2.96Å; F1173-D1177 VanDerWaalsContact O-OD2 3.12Å; Q1175-D1177 VanDerWaalsContact C-N 3.25Å; Q1175-D1177 PolarHBondContact O-N 3.12Å; D1177-Y1190 VanDerWaalsContact CG-OH 3.24Å; D1177-Y1190 PolarHBondContact OD1-OH 3.15Å; D1177-Y1190 PolarHBondContact OD2-OH 2.84Å; D1177-P2137 HydrophobicContact CB-CB 3.79Å; D1177-P2137 VanDerWaalsContact CG-CB 3.42Å; D1177-P2137 WeakPolarHBondContact OD2-CA 3.27Å; D1177-P2137 WeakPolarHBondContact OD2-CB 3.43Å; D1177-L2138 PolarHBondContact OD2-N 3.39Å; D1177-W2139 PolarHBondContact OD2-N 3.44Å |
| 1178 | N | 83.4 | Confident | 80.9 | Confident | 63 Ų | 63 | 60 Ų | 60 | 34% | 0.337 | 29% | 0.291 | S | S | . | . | trans | -81.3 | 122.9 | 172.9 | -173.6 | 5.6 | 0 | 0 | 0 | 110.9 | Q1175 L1176 E1180 F1181 Q1182 | Q1175-N1178 WeakPolarHBondContact O-CB 3.33Å; Q1175-N1178 PolarHBondContact O-N 3.27Å; L1176-N1178 VanDerWaalsContact C-N 3.3Å; N1178-E1180 PolarHBondContact ND2-OE2 3.09Å; N1178-E1180 PolarHBondContact O-N 3.5Å; N1178-E1180 PolarHBondContact OD1-N 3.48Å; N1178-F1181 HydrophobicContact CB-CB 4.3Å; N1178-F1181 WeakPolarHBondContact O-CB 3.37Å; N1178-F1181 PolarHBondContact O-N 3.08Å; N1178-F1181 VanDerWaalsContact O-N 3.09Å; N1178-Q1182 PolarHBondContact O-N 3.35Å | ||
| 1179 | N | 76.2 | Confident | 80.6 | Confident | 110 Ų | 110 | 59.2 Ų | 59.2 | 59% | 0.588 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55.9 | -37.1 | 177.3 | -67.8 | -21.7 | 0 | 0 | 0 | 112.8 | F1181 Q1182 Q1183 | N1179-F1181 VanDerWaalsContact C-N 3.3Å; N1179-F1181 PolarHBondContact O-N 3.47Å; N1179-Q1182 PolarHBondContact O-N 2.8Å; N1179-Q1183 WeakPolarHBondContact O-CG 3.23Å; N1179-Q1183 PolarHBondContact O-N 2.91Å |
| 1180 | E | 80.3 | Confident | 80.5 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 178.9 | -58.7 | 171.1 | 140.5 | 0 | 0 | 111.3 | N1178 Q1183 L1184 | N1178-E1180 PolarHBondContact ND2-OE2 3.09Å; N1178-E1180 PolarHBondContact O-N 3.5Å; N1178-E1180 PolarHBondContact OD1-N 3.48Å; E1180-Q1183 PolarHBondContact O-N 3.37Å; E1180-L1184 WeakPolarHBondContact O-CB 3.3Å; E1180-L1184 WeakPolarHBondContact O-CG 3.4Å; E1180-L1184 PolarHBondContact O-N 2.88Å |
| 1181 | F | 82.5 | Confident | 80.3 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 10% | 0.101 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68 | -42.4 | 178.9 | -168.5 | -90.2 | 0 | 0 | 0 | 111.6 | V1137 Q1175 L1176 N1178 N1179 Q1183 L1184 Y1185 I1187 | V1137-F1181 HydrophobicContact CG1-CE2 3.86Å; V1137-F1181 HydrophobicContact CG1-CZ 3.91Å; Q1175-F1181 WeakPolarHBondContact O-CB 3.43Å; L1176-F1181 HydrophobicContact CD2-CD1 4.09Å; L1176-F1181 HydrophobicContact CD2-CE1 3.73Å; N1178-F1181 HydrophobicContact CB-CB 4.3Å; N1178-F1181 WeakPolarHBondContact O-CB 3.37Å; N1178-F1181 PolarHBondContact O-N 3.08Å; N1178-F1181 VanDerWaalsContact O-N 3.09Å; N1179-F1181 VanDerWaalsContact C-N 3.3Å; N1179-F1181 PolarHBondContact O-N 3.47Å; F1181-Q1183 VanDerWaalsContact C-N 3.34Å; F1181-Q1183 PolarHBondContact O-N 2.86Å; F1181-L1184 PolarHBondContact O-N 3.39Å; F1181-Y1185 HydrophobicContact CD1-CD2 4.22Å; F1181-Y1185 HydrophobicContact CD2-CD2 4.09Å; F1181-Y1185 HydrophobicContact CD2-CE2 4.01Å; F1181-Y1185 AromaticContact CE1-CD2 3.88Å; F1181-Y1185 HydrophobicContact CE1-CD2 3.88Å; F1181-Y1185 HydrophobicContact CE1-CE2 4.39Å; F1181-Y1185 AromaticContact CE2-CD2 3.75Å; F1181-Y1185 HydrophobicContact CE2-CD2 3.75Å; F1181-Y1185 AromaticContact CE2-CE2 3.47Å; F1181-Y1185 HydrophobicContact CE2-CE2 3.47Å; F1181-Y1185 VanDerWaalsContact CE2-CE2 3.47Å; F1181-Y1185 HydrophobicContact CG-CD2 4.31Å; F1181-Y1185 AromaticContact CZ-CD2 3.64Å; F1181-Y1185 HydrophobicContact CZ-CD2 3.64Å; F1181-Y1185 AromaticContact CZ-CE2 3.69Å; F1181-Y1185 HydrophobicContact CZ-CE2 3.69Å; F1181-Y1185 PolarHBondContact O-N 3.11Å; F1181-I1187 HydrophobicContact CD1-CD1 4.07Å; F1181-I1187 HydrophobicContact CE1-CD1 3.86Å |
| 1182 | Q | 78.8 | Confident | 80.3 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.4 | -65.9 | 177.5 | 14.3 | 0 | 0 | 111.4 | L1176 N1178 N1179 H1186 I1187 | L1176-Q1182 PolarHBondContact O-NE2 3.24Å; N1178-Q1182 PolarHBondContact O-N 3.35Å; N1179-Q1182 PolarHBondContact O-N 2.8Å; Q1182-H1186 CarbonylContact O-C 3.57Å; Q1182-H1186 WeakPolarHBondContact O-CA 3.35Å; Q1182-H1186 PolarHBondContact O-N 2.87Å; Q1182-H1186 VanDerWaalsContact O-N 3.08Å; Q1182-I1187 PolarHBondContact O-N 3.1Å |
| 1183 | Q | 78 | Confident | 79.9 | Confident | 144 Ų | 144 | 59.7 Ų | 59.7 | 67% | 0.673 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.5 | -47.8 | 176.1 | -70.8 | 177.4 | 5.3 | 0 | 0 | 112.3 | N1179 E1180 F1181 Y1185 H1186 | N1179-Q1183 WeakPolarHBondContact O-CG 3.23Å; N1179-Q1183 PolarHBondContact O-N 2.91Å; E1180-Q1183 PolarHBondContact O-N 3.37Å; F1181-Q1183 VanDerWaalsContact C-N 3.34Å; F1181-Q1183 PolarHBondContact O-N 2.86Å; Q1183-Y1185 VanDerWaalsContact C-N 3.31Å; Q1183-Y1185 PolarHBondContact O-N 3.3Å; Q1183-H1186 PolarHBondContact O-N 3.1Å; Q1183-H1186 PolarHBondContact O-ND1 3.34Å |
| 1184 | L | 81.1 | Confident | 79.6 | Confident | 130 Ų | 130 | 60.6 Ų | 60.6 | 68% | 0.681 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -55.2 | -41.3 | 179.8 | -92.4 | 166.1 | 0 | 0 | 0 | 113.6 | E1180 F1181 | E1180-L1184 WeakPolarHBondContact O-CB 3.3Å; E1180-L1184 WeakPolarHBondContact O-CG 3.4Å; E1180-L1184 PolarHBondContact O-N 2.88Å; F1181-L1184 PolarHBondContact O-N 3.39Å |
| 1185 | Y | 74.7 | Confident | 79.3 | Confident | 69 Ų | 69 | 55.5 Ų | 55.5 | 27% | 0.271 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 9.3 | -177.4 | -70.9 | -78.3 | 0 | 0 | 0 | 113.8 | K1133 L1134 F1181 Q1183 I1187 | K1133-Y1185 HydrophobicContact CB-CE1 4.38Å; L1134-Y1185 HydrophobicContact CB-CD1 4.05Å; L1134-Y1185 HydrophobicContact CB-CE1 4.36Å; L1134-Y1185 HydrophobicContact CD1-CD1 4.37Å; L1134-Y1185 HydrophobicContact CD1-CG 4.42Å; L1134-Y1185 HydrophobicContact CG-CD1 4.36Å; F1181-Y1185 HydrophobicContact CD1-CD2 4.22Å; F1181-Y1185 HydrophobicContact CD2-CD2 4.09Å; F1181-Y1185 HydrophobicContact CD2-CE2 4.01Å; F1181-Y1185 AromaticContact CE1-CD2 3.88Å; F1181-Y1185 HydrophobicContact CE1-CD2 3.88Å; F1181-Y1185 HydrophobicContact CE1-CE2 4.39Å; F1181-Y1185 AromaticContact CE2-CD2 3.75Å; F1181-Y1185 HydrophobicContact CE2-CD2 3.75Å; F1181-Y1185 AromaticContact CE2-CE2 3.47Å; F1181-Y1185 HydrophobicContact CE2-CE2 3.47Å; F1181-Y1185 VanDerWaalsContact CE2-CE2 3.47Å; F1181-Y1185 HydrophobicContact CG-CD2 4.31Å; F1181-Y1185 AromaticContact CZ-CD2 3.64Å; F1181-Y1185 HydrophobicContact CZ-CD2 3.64Å; F1181-Y1185 AromaticContact CZ-CE2 3.69Å; F1181-Y1185 HydrophobicContact CZ-CE2 3.69Å; F1181-Y1185 PolarHBondContact O-N 3.11Å; Q1183-Y1185 VanDerWaalsContact C-N 3.31Å; Q1183-Y1185 PolarHBondContact O-N 3.3Å; Y1185-I1187 PolarHBondContact O-N 2.95Å; Y1185-I1187 VanDerWaalsContact O-N 3.14Å |
| 1186 | H | 75.6 | Confident | 79 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 34 | -178.2 | -54.9 | -16.3 | 0 | 0 | 0 | 113.5 | I1116 D1117 Q1182 Q1183 K1188 | I1116-H1186 WeakPolarHBondContact CA-O 3.46Å; D1117-H1186 PolarHBondContact N-O 3.31Å; D1117-H1186 VanDerWaalsContact N-O 3.08Å; Q1182-H1186 CarbonylContact O-C 3.57Å; Q1182-H1186 WeakPolarHBondContact O-CA 3.35Å; Q1182-H1186 PolarHBondContact O-N 2.87Å; Q1182-H1186 VanDerWaalsContact O-N 3.08Å; Q1183-H1186 PolarHBondContact O-N 3.1Å; Q1183-H1186 PolarHBondContact O-ND1 3.34Å; H1186-K1188 PolarHBondContact O-N 3.28Å |
| 1187 | I | 76.3 | Confident | 78.9 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 105.1 | 176 | -56.3 | 168.3 | 0 | 0 | 0 | 106.6 | L1114 E1115 L1134 F1181 Q1182 Y1185 H1189 | L1114-I1187 HydrophobicContact CD2-CG2 4.45Å; E1115-I1187 CarbonylContact O-C 3.48Å; E1115-I1187 WeakPolarHBondContact O-CA 3.04Å; L1134-I1187 HydrophobicContact CD1-CD1 4.08Å; L1134-I1187 HydrophobicContact CD1-CG1 4.19Å; F1181-I1187 HydrophobicContact CD1-CD1 4.07Å; F1181-I1187 HydrophobicContact CE1-CD1 3.86Å; Q1182-I1187 PolarHBondContact O-N 3.1Å; Y1185-I1187 PolarHBondContact O-N 2.95Å; Y1185-I1187 VanDerWaalsContact O-N 3.14Å; I1187-H1189 VanDerWaalsContact C-N 3.34Å; I1187-H1189 WeakPolarHBondContact CG2-O 3.49Å |
| 1188 | K | 73.8 | Confident | 78.7 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 38% | 0.378 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -51.9 | 172.7 | -51 | -173.6 | 77.5 | 133.8 | 0 | 109.1 | E1115 D1117 H1186 | E1115-K1188 HydrophobicContact CG-CD 4.38Å; E1115-K1188 PolarHBondContact O-N 3.41Å; D1117-K1188 HydrophobicContact CB-CD 3.93Å; D1117-K1188 HydrophobicContact CB-CG 3.76Å; D1117-K1188 VanDerWaalsContact CG-CD 3.47Å; D1117-K1188 VanDerWaalsContact CG-CE 3.5Å; D1117-K1188 IonicContact OD1-NZ 3.51Å; D1117-K1188 PolarHBondContact OD1-NZ 2.93Å; D1117-K1188 WeakPolarHBondContact OD2-CD 3.4Å; D1117-K1188 WeakPolarHBondContact OD2-CE 3.4Å; D1117-K1188 WeakPolarHBondContact OD2-CG 3.28Å; D1117-K1188 IonicContact OD2-NZ 2.77Å; D1117-K1188 PolarHBondContact OD2-NZ 2.81Å; H1186-K1188 PolarHBondContact O-N 3.28Å |
| 1189 | H | 75.5 | Confident | 78.5 | Confident | 53 Ų | 53 | 52.6 Ų | 52.6 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 151.5 | -168.2 | -59.6 | -42.8 | 0 | 0 | 0 | 111.3 | E1115 I1187 L2076 Q2080 | E1115-H1189 HydrophobicContact CB-CB 4.48Å; E1115-H1189 PolarHBondContact N-O 3.5Å; E1115-H1189 IonicContact OE2-CD2 2.76Å; I1187-H1189 VanDerWaalsContact C-N 3.34Å; I1187-H1189 WeakPolarHBondContact CG2-O 3.49Å; H1189-L2076 HydrophobicContact CB-CD2 3.53Å; H1189-Q2080 PolarHBondContact CE1-OE1 3.16Å; H1189-Q2080 VanDerWaalsContact CE1-OE1 3.25Å; H1189-Q2080 PolarHBondContact ND1-NE2 3.27Å; H1189-Q2080 PolarHBondContact ND1-OE1 2.97Å |
| 1190 | Y | 81.7 | Confident | 78.7 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 11% | 0.114 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.4 | 170.5 | 79.6 | -98.6 | 0 | 0 | 0 | 111.5 | L1112 S1113 L1114 F1173 L1176 D1177 L2138 | L1112-Y1190 HydrophobicContact CD1-CD2 4.13Å; S1113-Y1190 CarbonylContact O-C 3.56Å; S1113-Y1190 WeakPolarHBondContact O-CA 3.46Å; L1114-Y1190 VanDerWaalsContact CD2-CB 3.5Å; F1173-Y1190 AromaticContact CD1-CE2 3.81Å; F1173-Y1190 HydrophobicContact CD1-CE2 3.81Å; F1173-Y1190 HydrophobicContact CE1-CD2 4.33Å; F1173-Y1190 AromaticContact CE1-CE2 3.89Å; F1173-Y1190 HydrophobicContact CE1-CE2 3.89Å; L1176-Y1190 HydrophobicContact CB-CD1 4.23Å; L1176-Y1190 HydrophobicContact CB-CE1 4.03Å; D1177-Y1190 VanDerWaalsContact CG-OH 3.24Å; D1177-Y1190 PolarHBondContact OD1-OH 3.15Å; D1177-Y1190 PolarHBondContact OD2-OH 2.84Å; Y1190-L2138 HydrophobicContact CE2-CD2 3.94Å; Y1190-L2138 WeakPolarHBondContact OH-CB 3.32Å |
| 1191 | E | 78.3 | Confident | 78.7 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 130.7 | 175.6 | -175.5 | 178.6 | -177.4 | 0 | 0 | 110.1 | S1113 T1193 K2079 H2161 | S1113-E1191 PolarHBondContact N-O 3.31Å; S1113-E1191 PolarHBondContact O-N 3.05Å; E1191-T1193 HydrophobicContact CG-CG2 4.08Å; E1191-K2079 IonicContact OE1-NZ 2.73Å; E1191-K2079 PolarHBondContact OE1-NZ 3.08Å; E1191-K2079 IonicContact OE2-NZ 3.71Å; E1191-K2079 PolarHBondContact OE2-NZ 2.99Å; E1191-H2161 HydrophobicContact CG-CB 3.86Å; E1191-H2161 WeakPolarHBondContact OE1-CB 3.38Å; E1191-H2161 IonicContact OE1-CD2 3.36Å; E1191-H2161 IonicContact OE1-CG 3.43Å |
| 1192 | I | 83.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.7 | 165.6 | -160.9 | -170.6 | 0 | 0 | 0 | 110.4 | Y1110 F1169 F1173 Y2086 L2138 F2142 I2159 | Y1110-I1192 HydrophobicContact CD1-CD1 3.54Å; Y1110-I1192 HydrophobicContact CD1-CG1 3.97Å; Y1110-I1192 HydrophobicContact CE1-CD1 4.08Å; Y1110-I1192 HydrophobicContact CG-CD1 4.12Å; F1169-I1192 HydrophobicContact CE2-CD1 4.48Å; F1173-I1192 HydrophobicContact CE2-CD1 3.87Å; F1173-I1192 HydrophobicContact CZ-CB 4.07Å; F1173-I1192 HydrophobicContact CZ-CD1 3.68Å; F1173-I1192 HydrophobicContact CZ-CG1 4.03Å; I1192-Y2086 HydrophobicContact CG2-CE1 4.04Å; I1192-L2138 HydrophobicContact CB-CD2 4.35Å; I1192-L2138 HydrophobicContact CG2-CD2 3.77Å; I1192-F2142 HydrophobicContact CD1-CE2 4.27Å; I1192-F2142 HydrophobicContact CD1-CZ 3.82Å; I1192-I2159 HydrophobicContact CG2-CG2 4.49Å |
| 1193 | T | 77.8 | Confident | 78.4 | Confident | 43 Ų | 43 | 41 Ų | 41 | 26% | 0.264 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 160.3 | 170.4 | 60 | 0 | 0 | 0 | 0 | 109.5 | Y1110 H1111 E1191 | Y1110-T1193 CarbonylContact C-O 3.6Å; Y1110-T1193 WeakPolarHBondContact CA-O 3.27Å; Y1110-T1193 WeakPolarHBondContact CD1-O 3.4Å; H1111-T1193 WeakPolarHBondContact CB-OG1 3.49Å; H1111-T1193 PolarHBondContact N-O 3.35Å; H1111-T1193 PolarHBondContact O-N 2.91Å; H1111-T1193 PolarHBondContact O-OG1 3.02Å; E1191-T1193 HydrophobicContact CG-CG2 4.08Å |
| 1194 | N | 79.2 | Confident | 78.3 | Confident | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.102 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 147.1 | 173.1 | -170 | -39.5 | 0 | 0 | 0 | 108 | G1109 Y1110 S1196 | G1109-N1194 PolarHBondContact O-OD1 3.15Å; Y1110-N1194 HydrophobicContact CD1-CB 3.77Å; Y1110-N1194 HydrophobicContact CE1-CB 3.75Å; Y1110-N1194 WeakPolarHBondContact CE1-ND2 3.47Å; Y1110-N1194 HydrophobicContact CG-CB 4.5Å; Y1110-N1194 PolarHBondContact OH-ND2 3.42Å; N1194-S1196 PolarHBondContact O-N 3.33Å |
| 1195 | S | 79.5 | Confident | 78 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -37.9 | 125.7 | 173.2 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | K1103 G1109 | K1103-S1195 WeakPolarHBondContact CD-O 3.39Å; K1103-S1195 VanDerWaalsContact CE-O 3.24Å; K1103-S1195 WeakPolarHBondContact CE-O 3.18Å; K1103-S1195 PolarHBondContact NZ-O 3.49Å; G1109-S1195 VanDerWaalsContact O-CB 3.29Å; G1109-S1195 WeakPolarHBondContact O-CB 3.09Å; G1109-S1195 PolarHBondContact O-N 3.11Å; G1109-S1195 PolarHBondContact O-OG 3.4Å | ||
| 1196 | S | 79.9 | Confident | 77.8 | Confident | 39 Ų | 39 | 28.7 Ų | 28.7 | 27% | 0.273 | 15% | 0.148 | S | C | . | . | trans | -75.5 | 160.9 | -177.4 | 80.1 | 0 | 0 | 0 | 0 | 109.7 | N1194 E1198 D1199 V1200 | N1194-S1196 PolarHBondContact O-N 3.33Å; S1196-E1198 PolarHBondContact O-N 3.07Å; S1196-E1198 WeakPolarHBondContact OG-CB 3.04Å; S1196-E1198 PolarHBondContact OG-N 3.24Å; S1196-D1199 WeakPolarHBondContact CA-OD2 3.44Å; S1196-D1199 WeakPolarHBondContact CB-OD2 3.28Å; S1196-D1199 PolarHBondContact N-OD2 3.13Å; S1196-D1199 PolarHBondContact O-N 3.35Å; S1196-D1199 PolarHBondContact OG-N 3.08Å; S1196-D1199 VanDerWaalsContact OG-N 3.08Å; S1196-D1199 PolarHBondContact OG-OD2 3.43Å; S1196-V1200 PolarHBondContact O-N 3.03Å | ||
| 1197 | L | 80.4 | Confident | 76.9 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.6 | -14.2 | 172 | -154.7 | 137.3 | 0 | 0 | 0 | 111.6 | L917 M1075 I1085 F1201 | L917-L1197 HydrophobicContact CD1-CD2 3.25Å; M1075-L1197 HydrophobicContact CB-CB 4.31Å; M1075-L1197 HydrophobicContact CB-CD2 4.46Å; M1075-L1197 HydrophobicContact SD-CD2 3.71Å; I1085-L1197 HydrophobicContact CD1-CD1 3.55Å; I1085-L1197 HydrophobicContact CD1-CD2 4.3Å; L1197-F1201 VanDerWaalsContact O-CB 3.24Å; L1197-F1201 WeakPolarHBondContact O-CB 3.39Å; L1197-F1201 PolarHBondContact O-N 3.22Å; L1197-F1201 VanDerWaalsContact O-N 3.11Å |
| 1198 | E | 77 | Confident | 75.7 | Confident | 19 Ų | 19 | 31.8 Ų | 31.8 | 9% | 0.089 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.8 | -43.9 | 167 | -44 | -118.1 | 125.5 | 0 | 0 | 110.1 | M1075 S1196 F1201 L1202 K2027 | M1075-E1198 HydrophobicContact CB-CG 3.74Å; M1075-E1198 WeakPolarHBondContact CB-OE1 3.43Å; M1075-E1198 HydrophobicContact CG-CB 4.14Å; M1075-E1198 HydrophobicContact CG-CG 3.6Å; M1075-E1198 WeakPolarHBondContact CG-OE1 3.31Å; S1196-E1198 PolarHBondContact O-N 3.07Å; S1196-E1198 WeakPolarHBondContact OG-CB 3.04Å; S1196-E1198 PolarHBondContact OG-N 3.24Å; E1198-F1201 WeakPolarHBondContact O-CB 3.36Å; E1198-F1201 PolarHBondContact O-N 3.29Å; E1198-L1202 WeakPolarHBondContact O-CB 3.27Å; E1198-L1202 WeakPolarHBondContact O-CD1 3.27Å; E1198-L1202 WeakPolarHBondContact O-CG 3.48Å; E1198-L1202 PolarHBondContact O-N 3.09Å; E1198-K2027 IonicContact OE1-NZ 2.69Å |
| 1199 | D | 78.3 | Confident | 74.4 | Confident | 60 Ų | 60 | 32 Ų | 32 | 32% | 0.321 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.7 | -47.9 | -179.4 | -54.6 | -55.1 | 0 | 0 | 0 | 111.3 | S1196 F1201 L1202 T1203 | S1196-D1199 WeakPolarHBondContact CA-OD2 3.44Å; S1196-D1199 WeakPolarHBondContact CB-OD2 3.28Å; S1196-D1199 PolarHBondContact N-OD2 3.13Å; S1196-D1199 PolarHBondContact O-N 3.35Å; S1196-D1199 PolarHBondContact OG-N 3.08Å; S1196-D1199 VanDerWaalsContact OG-N 3.08Å; S1196-D1199 PolarHBondContact OG-OD2 3.43Å; D1199-F1201 VanDerWaalsContact C-N 3.26Å; D1199-F1201 PolarHBondContact O-N 2.94Å; D1199-L1202 PolarHBondContact O-N 3.2Å; D1199-T1203 PolarHBondContact O-N 2.96Å; D1199-T1203 PolarHBondContact O-OG1 3.4Å |
| 1200 | V | 79.5 | Confident | 72.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.7 | -41.6 | 171.8 | 166.4 | 0 | 0 | 0 | 0 | 111.8 | L1102 K1103 S1196 T1203 I1204 | L1102-V1200 HydrophobicContact CB-CG1 4.29Å; K1103-V1200 HydrophobicContact CG-CG2 4.03Å; S1196-V1200 PolarHBondContact O-N 3.03Å; V1200-T1203 PolarHBondContact O-OG1 3.27Å; V1200-I1204 HydrophobicContact CG1-CD1 3.82Å; V1200-I1204 WeakPolarHBondContact O-CB 3.28Å; V1200-I1204 VanDerWaalsContact O-CD1 3.26Å; V1200-I1204 WeakPolarHBondContact O-CD1 3.4Å; V1200-I1204 WeakPolarHBondContact O-CG1 3.27Å; V1200-I1204 PolarHBondContact O-N 3.32Å |
| 1201 | F | 81.2 | Confident | 70.7 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.5 | -35.3 | 177.8 | 178.3 | -93.2 | 0 | 0 | 0 | 112.2 | R919 M1075 I1087 L1197 E1198 D1199 T1205 I2024 | R919-F1201 HydrophobicContact CG-CE1 4.11Å; R919-F1201 HydrophobicContact CG-CZ 3.93Å; M1075-F1201 HydrophobicContact CE-CB 3.54Å; M1075-F1201 HydrophobicContact CE-CD1 3.42Å; M1075-F1201 VanDerWaalsContact CE-CD1 3.42Å; M1075-F1201 HydrophobicContact CE-CD2 3.73Å; M1075-F1201 HydrophobicContact CE-CE1 3.98Å; M1075-F1201 HydrophobicContact CE-CE2 4.25Å; M1075-F1201 HydrophobicContact CE-CG 3.27Å; M1075-F1201 HydrophobicContact CE-CZ 4.35Å; M1075-F1201 HydrophobicContact SD-CB 4.05Å; M1075-F1201 HydrophobicContact SD-CG 4.27Å; I1087-F1201 HydrophobicContact CD1-CD2 4.26Å; I1087-F1201 HydrophobicContact CG2-CD2 4Å; I1087-F1201 HydrophobicContact CG2-CE2 3.95Å; L1197-F1201 VanDerWaalsContact O-CB 3.24Å; L1197-F1201 WeakPolarHBondContact O-CB 3.39Å; L1197-F1201 PolarHBondContact O-N 3.22Å; L1197-F1201 VanDerWaalsContact O-N 3.11Å; E1198-F1201 WeakPolarHBondContact O-CB 3.36Å; E1198-F1201 PolarHBondContact O-N 3.29Å; D1199-F1201 VanDerWaalsContact C-N 3.26Å; D1199-F1201 PolarHBondContact O-N 2.94Å; F1201-T1205 HydrophobicContact CD1-CG2 4.4Å; F1201-T1205 HydrophobicContact CD2-CG2 4.41Å; F1201-T1205 HydrophobicContact CE1-CG2 4.04Å; F1201-T1205 HydrophobicContact CE2-CG2 4.05Å; F1201-T1205 HydrophobicContact CZ-CG2 3.86Å; F1201-T1205 WeakPolarHBondContact O-CB 3.43Å; F1201-T1205 WeakPolarHBondContact O-CG2 3.36Å; F1201-T1205 PolarHBondContact O-N 3.43Å; F1201-T1205 PolarHBondContact O-OG1 3.28Å; F1201-I2024 HydrophobicContact CE1-CD1 4.37Å |
| 1202 | L | 77 | Confident | 68.5 | Low | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.4 | -38.9 | -179.8 | -73.1 | 162.2 | 0 | 0 | 0 | 112.3 | E1198 D1199 T1205 N1206 I2024 Q2025 | E1198-L1202 WeakPolarHBondContact O-CB 3.27Å; E1198-L1202 WeakPolarHBondContact O-CD1 3.27Å; E1198-L1202 WeakPolarHBondContact O-CG 3.48Å; E1198-L1202 PolarHBondContact O-N 3.09Å; D1199-L1202 PolarHBondContact O-N 3.2Å; L1202-T1205 PolarHBondContact O-N 3.12Å; L1202-N1206 WeakPolarHBondContact O-CB 3.35Å; L1202-N1206 PolarHBondContact O-N 3.25Å; L1202-N1206 PolarHBondContact O-ND2 3.25Å; L1202-N1206 VanDerWaalsContact O-ND2 3.12Å; L1202-I2024 HydrophobicContact CD1-CG2 4.24Å; L1202-I2024 HydrophobicContact CD2-CG2 4.29Å; L1202-I2024 HydrophobicContact CG-CG2 4.41Å; L1202-Q2025 HydrophobicContact CD2-CG 4.36Å |
| 1203 | T | 77.7 | Confident | 66.3 | Low | 53 Ų | 53 | 48 Ų | 48 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.6 | -57.4 | 172.2 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | Y1106 D1199 V1200 T1205 N1206 D1207 | Y1106-T1203 PolarHBondContact O-OG1 3.04Å; D1199-T1203 PolarHBondContact O-N 2.96Å; D1199-T1203 PolarHBondContact O-OG1 3.4Å; V1200-T1203 PolarHBondContact O-OG1 3.27Å; T1203-T1205 VanDerWaalsContact C-N 3.25Å; T1203-T1205 PolarHBondContact O-N 3.11Å; T1203-T1205 VanDerWaalsContact O-N 3.14Å; T1203-N1206 PolarHBondContact O-N 3.22Å; T1203-N1206 VanDerWaalsContact O-N 3.13Å; T1203-D1207 PolarHBondContact O-N 3.4Å |
| 1204 | I | 76.8 | Confident | 64.3 | Low | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.9 | -36.1 | 179.8 | -65.4 | 168.9 | 0 | 0 | 0 | 112.9 | I1087 L1094 Y1106 V1200 N1208 | I1087-I1204 HydrophobicContact CD1-CD1 3.82Å; I1087-I1204 HydrophobicContact CG2-CG2 4.42Å; L1094-I1204 HydrophobicContact CB-CG2 4.3Å; L1094-I1204 HydrophobicContact CD1-CG2 3.67Å; Y1106-I1204 HydrophobicContact CD1-CD1 4.1Å; Y1106-I1204 HydrophobicContact CD1-CG1 3.83Å; Y1106-I1204 HydrophobicContact CD2-CD1 3.7Å; Y1106-I1204 HydrophobicContact CD2-CG1 4.35Å; Y1106-I1204 HydrophobicContact CE1-CD1 4.49Å; Y1106-I1204 HydrophobicContact CE1-CG1 4.26Å; Y1106-I1204 HydrophobicContact CE2-CD1 4.12Å; Y1106-I1204 HydrophobicContact CG-CD1 3.68Å; Y1106-I1204 HydrophobicContact CG-CG1 3.88Å; V1200-I1204 HydrophobicContact CG1-CD1 3.82Å; V1200-I1204 WeakPolarHBondContact O-CB 3.28Å; V1200-I1204 VanDerWaalsContact O-CD1 3.26Å; V1200-I1204 WeakPolarHBondContact O-CD1 3.4Å; V1200-I1204 WeakPolarHBondContact O-CG1 3.27Å; V1200-I1204 PolarHBondContact O-N 3.32Å; I1204-N1208 PolarHBondContact O-ND2 3.47Å |
| 1205 | T | 74.8 | Confident | 62.2 | Low | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -90.3 | -19.8 | -179.5 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | F1201 L1202 T1203 | F1201-T1205 HydrophobicContact CD1-CG2 4.4Å; F1201-T1205 HydrophobicContact CD2-CG2 4.41Å; F1201-T1205 HydrophobicContact CE1-CG2 4.04Å; F1201-T1205 HydrophobicContact CE2-CG2 4.05Å; F1201-T1205 HydrophobicContact CZ-CG2 3.86Å; F1201-T1205 WeakPolarHBondContact O-CB 3.43Å; F1201-T1205 WeakPolarHBondContact O-CG2 3.36Å; F1201-T1205 PolarHBondContact O-N 3.43Å; F1201-T1205 PolarHBondContact O-OG1 3.28Å; L1202-T1205 PolarHBondContact O-N 3.12Å; T1203-T1205 VanDerWaalsContact C-N 3.25Å; T1203-T1205 PolarHBondContact O-N 3.11Å; T1203-T1205 VanDerWaalsContact O-N 3.14Å |
| 1206 | N | 69.4 | Low | 60.1 | Low | 64 Ų | 64 | 60.6 Ų | 60.6 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -90.6 | -30.8 | 178.3 | -69.9 | -23.4 | 0 | 0 | 0 | 113.3 | L1202 T1203 N1208 H1209 K1210 | L1202-N1206 WeakPolarHBondContact O-CB 3.35Å; L1202-N1206 PolarHBondContact O-N 3.25Å; L1202-N1206 PolarHBondContact O-ND2 3.25Å; L1202-N1206 VanDerWaalsContact O-ND2 3.12Å; T1203-N1206 PolarHBondContact O-N 3.22Å; T1203-N1206 VanDerWaalsContact O-N 3.13Å; N1206-N1208 VanDerWaalsContact C-N 3.27Å; N1206-N1208 PolarHBondContact O-N 2.98Å; N1206-H1209 WeakPolarHBondContact O-CA 3.49Å; N1206-H1209 WeakPolarHBondContact O-CB 3.48Å; N1206-H1209 PolarHBondContact O-N 2.94Å; N1206-K1210 PolarHBondContact O-N 3.01Å; N1206-K1210 VanDerWaalsContact O-N 3.08Å |
| 1207 | D | 58.5 | Low | 57.8 | Low | 71 Ų | 71 | 64.6 Ų | 64.6 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.3 | -26.2 | -178.3 | -67.7 | -32.1 | 0 | 0 | 0 | 112.8 | T1203 H1209 K1210 T1211 | T1203-D1207 PolarHBondContact O-N 3.4Å; D1207-H1209 VanDerWaalsContact C-N 3.26Å; D1207-H1209 PolarHBondContact O-N 3.47Å; D1207-K1210 PolarHBondContact O-N 2.97Å; D1207-K1210 WeakPolarHBondContact OD1-CD 3.43Å; D1207-K1210 WeakPolarHBondContact OD1-CE 3.38Å; D1207-K1210 IonicContact OD1-NZ 2.7Å; D1207-K1210 PolarHBondContact OD1-NZ 3.13Å; D1207-T1211 PolarHBondContact O-N 2.82Å; D1207-T1211 VanDerWaalsContact O-N 3.09Å; D1207-T1211 PolarHBondContact O-OG1 2.93Å |
| 1208 | N | 50.9 | Low | 55.5 | Low | 79 Ų | 79 | 71.3 Ų | 71.3 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.8 | -22.5 | 166.3 | -77.1 | -61.7 | 0 | 0 | 0 | 113.6 | I1204 N1206 T1211 M1212 | I1204-N1208 PolarHBondContact O-ND2 3.47Å; N1206-N1208 VanDerWaalsContact C-N 3.27Å; N1206-N1208 PolarHBondContact O-N 2.98Å; N1208-T1211 PolarHBondContact O-OG1 3.02Å; N1208-M1212 VanDerWaalsContact O-CG 3.29Å; N1208-M1212 WeakPolarHBondContact O-CG 3.48Å; N1208-M1212 PolarHBondContact O-N 3.06Å |
| 1209 | H | 45.3 | Very low | 53.3 | Low | 91 Ų | 91 | 79.6 Ų | 79.6 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -81.9 | -38.8 | 171.3 | -82.7 | -89.7 | 0 | 0 | 0 | 111.2 | R919 E1090 N1206 D1207 T1211 M1212 I1213 | R919-H1209 PolarHBondContact NH1-NE2 2.94Å; E1090-H1209 IonicContact OE1-NE2 3.31Å; E1090-H1209 PolarHBondContact OE1-NE2 3.4Å; N1206-H1209 WeakPolarHBondContact O-CA 3.49Å; N1206-H1209 WeakPolarHBondContact O-CB 3.48Å; N1206-H1209 PolarHBondContact O-N 2.94Å; D1207-H1209 VanDerWaalsContact C-N 3.26Å; D1207-H1209 PolarHBondContact O-N 3.47Å; H1209-T1211 PolarHBondContact O-N 3.32Å; H1209-M1212 PolarHBondContact O-N 3.26Å; H1209-I1213 WeakPolarHBondContact O-CB 3.47Å; H1209-I1213 WeakPolarHBondContact O-CD1 3.44Å; H1209-I1213 VanDerWaalsContact O-CG1 3.24Å; H1209-I1213 WeakPolarHBondContact O-CG1 3.41Å; H1209-I1213 PolarHBondContact O-N 2.97Å |
| 1210 | K | 41.3 | Very low | 50.9 | Low | 125 Ų | 125 | 83.4 Ų | 83.4 | 54% | 0.543 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 173.8 | -64.6 | 178.9 | -170.7 | 156.3 | 0 | 112.2 | N1206 D1207 M1212 I1213 N1214 | N1206-K1210 PolarHBondContact O-N 3.01Å; N1206-K1210 VanDerWaalsContact O-N 3.08Å; D1207-K1210 PolarHBondContact O-N 2.97Å; D1207-K1210 WeakPolarHBondContact OD1-CD 3.43Å; D1207-K1210 WeakPolarHBondContact OD1-CE 3.38Å; D1207-K1210 IonicContact OD1-NZ 2.7Å; D1207-K1210 PolarHBondContact OD1-NZ 3.13Å; K1210-M1212 VanDerWaalsContact C-N 3.33Å; K1210-M1212 PolarHBondContact O-N 3.43Å; K1210-I1213 PolarHBondContact O-N 3.13Å; K1210-N1214 WeakPolarHBondContact O-CB 3.35Å; K1210-N1214 VanDerWaalsContact O-CG 3.29Å; K1210-N1214 PolarHBondContact O-N 3.08Å; K1210-N1214 PolarHBondContact O-OD1 3.46Å |
| 1211 | T | 38.3 | Very low | 48.5 | Very low | 78 Ų | 78 | 91.8 Ų | 91.8 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.7 | -26.5 | 178.7 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | D1207 N1208 H1209 N1215 | D1207-T1211 PolarHBondContact O-N 2.82Å; D1207-T1211 VanDerWaalsContact O-N 3.09Å; D1207-T1211 PolarHBondContact O-OG1 2.93Å; N1208-T1211 PolarHBondContact O-OG1 3.02Å; H1209-T1211 PolarHBondContact O-N 3.32Å; T1211-N1215 PolarHBondContact O-ND2 3.2Å |
| 1212 | M | 32.2 | Very low | 46 | Very low | 134 Ų | 134 | 96.6 Ų | 96.6 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.9 | -40.5 | 171.3 | -78 | -71.9 | -173.2 | 0 | 0 | 112.7 | N1208 H1209 K1210 | N1208-M1212 VanDerWaalsContact O-CG 3.29Å; N1208-M1212 WeakPolarHBondContact O-CG 3.48Å; N1208-M1212 PolarHBondContact O-N 3.06Å; H1209-M1212 PolarHBondContact O-N 3.26Å; K1210-M1212 VanDerWaalsContact C-N 3.33Å; K1210-M1212 PolarHBondContact O-N 3.43Å |
| 1213 | I | 37.2 | Very low | 43.6 | Very low | 94 Ų | 94 | 101.8 Ų | 101.8 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | -180 | -70.4 | 163.8 | 0 | 0 | 0 | 110.5 | H1209 K1210 N1215 S1216 | H1209-I1213 WeakPolarHBondContact O-CB 3.47Å; H1209-I1213 WeakPolarHBondContact O-CD1 3.44Å; H1209-I1213 VanDerWaalsContact O-CG1 3.24Å; H1209-I1213 WeakPolarHBondContact O-CG1 3.41Å; H1209-I1213 PolarHBondContact O-N 2.97Å; K1210-I1213 PolarHBondContact O-N 3.13Å; I1213-N1215 PolarHBondContact O-N 3.06Å; I1213-S1216 PolarHBondContact O-N 3.26Å; I1213-S1216 PolarHBondContact O-OG 3.42Å |
| 1214 | N | 35.3 | Very low | 41.3 | Very low | 118 Ų | 118 | 108.4 Ų | 108.4 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.6 | -29.8 | -178.3 | -70.4 | 7.1 | 0 | 0 | 0 | 113.3 | K1210 S1216 | K1210-N1214 WeakPolarHBondContact O-CB 3.35Å; K1210-N1214 VanDerWaalsContact O-CG 3.29Å; K1210-N1214 PolarHBondContact O-N 3.08Å; K1210-N1214 PolarHBondContact O-OD1 3.46Å; N1214-S1216 VanDerWaalsContact C-N 3.25Å; N1214-S1216 PolarHBondContact O-N 3.49Å |
| 1215 | N | 35.4 | Very low | 38.9 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 67% | 0.668 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 13.1 | 178 | -72.7 | -32.2 | 0 | 0 | 0 | 114.1 | T1211 I1213 | T1211-N1215 PolarHBondContact O-ND2 3.2Å; I1213-N1215 PolarHBondContact O-N 3.06Å |
| 1216 | S | 35.4 | Very low | 36.8 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | 3.7 | -178.8 | 66.8 | 0 | 0 | 0 | 0 | 115.3 | I1213 N1214 | I1213-S1216 PolarHBondContact O-N 3.26Å; I1213-S1216 PolarHBondContact O-OG 3.42Å; N1214-S1216 VanDerWaalsContact C-N 3.25Å; N1214-S1216 PolarHBondContact O-N 3.49Å |
| 1217 | N | 33.1 | Very low | 34.8 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 66% | 0.658 | 65% | 0.645 | S | S | * | * | trans | -96.5 | 1.5 | -175.2 | -69.7 | -10.5 | 0 | 0 | 0 | 115 | Y1219 | N1217-Y1219 PolarHBondContact O-N 3.11Š| ||
| 1218 | D | 32.3 | Very low | 33.3 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 78% | 0.781 | 66% | 0.664 | S | S | * | * | trans | -74.4 | 66 | 175.9 | -78.3 | -22.9 | 0 | 0 | 0 | 112.8 | ||||
| 1219 | Y | 29.7 | Very low | 32.1 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 76% | 0.761 | 68% | 0.679 | S | S | * | * | trans | -143.7 | 66.6 | 167.3 | -96.9 | -74.9 | 0 | 0 | 0 | 112.5 | K835 N1217 | K835-Y1219 PolarHBondContact NZ-OH 2.8Å; N1217-Y1219 PolarHBondContact O-N 3.11Å | ||
| 1220 | N | 27.3 | Very low | 31.2 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | 25.4 | 111.7 | 152.4 | -58.7 | 2.5 | 0 | 0 | 0 | 118.8 | ||||
| 1221 | H | 30.1 | Very low | 30.5 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 82% | 0.819 | 70% | 0.7 | S | S | * | * | -163.9 | 93.9 | 113.4 | -100.7 | -66 | 0 | 0 | 0 | 109.6 | |||||
| 1222 | T | 28.7 | Very low | 30 | Very low | 102 Ų | 102 | 136 Ų | 136 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | 62.5 | 89.7 | 104.6 | 60.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1223 | T | 27.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | 40.5 | 117.1 | 129 | 56.1 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1224 | H | 28.8 | Very low | 29.4 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 89% | 0.894 | 73% | 0.725 | S | S | * | * | -153.9 | 132.4 | 118.8 | -104.5 | -75.7 | 0 | 0 | 0 | 110.3 | |||||
| 1225 | N | 26.3 | Very low | 29 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -88 | 139.9 | 165.8 | -61 | -21.6 | 0 | 0 | 0 | 108.2 | ||||
| 1226 | T | 29.4 | Very low | 28.8 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | 171.8 | 123.8 | 121.2 | 38 | 0 | 0 | 0 | 0 | 112 | |||||
| 1227 | T | 27.8 | Very low | 28.6 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | trans | 47.6 | 136.9 | 140.8 | 61.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1228 | N | 26.7 | Very low | 28.4 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 86.5 | 118.8 | 158.1 | -54.3 | -16.1 | 0 | 0 | 0 | 117.1 | ||||
| 1229 | N | 26.6 | Very low | 28.2 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 33.4 | 136.4 | 145.7 | -59.2 | 14.1 | 0 | 0 | 0 | 121.1 | ||||
| 1230 | D | 27.1 | Very low | 28.4 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | 72.3 | 146.2 | 160.1 | -46 | -34.4 | 0 | 0 | 0 | 116 | ||||
| 1231 | N | 26.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | trans | 58.7 | 76.9 | 168.7 | -59.1 | 8.8 | 0 | 0 | 0 | 118.1 | E1233 | N1231-E1233 HydrophobicContact CB-CG 4.05Å; N1231-E1233 PolarHBondContact ND2-OE1 3.01Å | ||
| 1232 | I | 27.1 | Very low | 28.4 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -120.8 | 80.9 | 138 | -56.8 | 176.5 | 0 | 0 | 0 | 104.3 | ||||
| 1233 | E | 27.4 | Very low | 28.3 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | 56 | 90.6 | 64.3 | -76.9 | -174.4 | -156.4 | 0 | 0 | 112.9 | N1231 | N1231-E1233 HydrophobicContact CB-CG 4.05Å; N1231-E1233 PolarHBondContact ND2-OE1 3.01Å | |||
| 1234 | D | 28.7 | Very low | 28.6 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | trans | 70.7 | 75.1 | 130.3 | -56 | 12.4 | 0 | 0 | 0 | 118.5 | D1236 | D1234-D1236 WeakPolarHBondContact CA-OD1 3.21Š| ||
| 1235 | Y | 28.2 | Very low | 28.5 | Very low | 239 Ų | 239 | 139.2 Ų | 139.2 | 94% | 0.937 | 71% | 0.711 | S | S | * | * | S | Bend | -129.3 | 35.4 | 128.4 | -111.7 | -66.4 | 0 | 0 | 0 | 113 | D1237 | Y1235-D1237 PolarHBondContact O-N 3.15Š| |
| 1236 | D | 30.8 | Very low | 28.8 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 56% | 0.561 | 70% | 0.703 | S | S | * | * | trans | 42.6 | 69.2 | 158.5 | -51 | -7.6 | 0 | 0 | 0 | 116 | D1234 D1238 | D1234-D1236 WeakPolarHBondContact CA-OD1 3.21Å; D1236-D1238 HydrophobicContact CB-CB 4.19Å; D1236-D1238 PolarHBondContact O-N 3.49Å | ||
| 1237 | D | 31.8 | Very low | 28.9 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 93% | 0.93 | 70% | 0.704 | S | S | * | * | trans | -63.5 | 69.2 | 136 | -98.2 | -42.3 | 0 | 0 | 0 | 108.2 | Y1235 P1239 | Y1235-D1237 PolarHBondContact O-N 3.15Å; D1237-P1239 WeakPolarHBondContact O-CD 3.32Å | ||
| 1238 | D | 26.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | trans | -69.8 | 100 | 176.3 | -149.3 | 17 | 0 | 0 | 0 | 107 | D1236 I1240 | D1236-D1238 HydrophobicContact CB-CB 4.19Å; D1236-D1238 PolarHBondContact O-N 3.49Å; D1238-I1240 PolarHBondContact O-N 3.29Å | ||
| 1239 | P | 29.8 | Very low | 29.7 | Very low | 101 Ų | 101 | 146 Ų | 146 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | trans | -67.4 | 109.8 | 173.9 | 30.7 | -30.5 | 0 | 0 | 0 | 105.5 | D1237 E1241 | D1237-P1239 WeakPolarHBondContact O-CD 3.32Å; P1239-E1241 PolarHBondContact O-N 3.37Å | ||
| 1240 | I | 32.3 | Very low | 30.7 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 59% | 0.585 | 71% | 0.707 | S | S | * | * | trans | -59.2 | 101.7 | -166.4 | -46.3 | 174.6 | 0 | 0 | 0 | 110 | D1238 Y1242 | D1238-I1240 PolarHBondContact O-N 3.29Å; I1240-Y1242 VanDerWaalsContact C-N 3.31Å; I1240-Y1242 HydrophobicContact CB-CD2 4.29Å; I1240-Y1242 HydrophobicContact CB-CE2 4.13Å; I1240-Y1242 HydrophobicContact CG2-CD2 3.84Å; I1240-Y1242 HydrophobicContact CG2-CE2 3.39Å; I1240-Y1242 PolarHBondContact O-N 3.23Å | ||
| 1241 | E | 26.5 | Very low | 31.7 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | trans | -67.9 | 90.2 | -175.8 | -77.7 | -145.3 | 101.9 | 0 | 0 | 109.8 | P1239 N1243 | P1239-E1241 PolarHBondContact O-N 3.37Å; E1241-N1243 PolarHBondContact O-N 3.01Å; E1241-N1243 PolarHBondContact OE1-ND2 3.21Å | ||
| 1242 | Y | 31.6 | Very low | 33.2 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | trans | -86.9 | 27 | 159.1 | -73.6 | -70.7 | 0 | 0 | 0 | 111.5 | I1240 H1244 K2009 | I1240-Y1242 VanDerWaalsContact C-N 3.31Å; I1240-Y1242 HydrophobicContact CB-CD2 4.29Å; I1240-Y1242 HydrophobicContact CB-CE2 4.13Å; I1240-Y1242 HydrophobicContact CG2-CD2 3.84Å; I1240-Y1242 HydrophobicContact CG2-CE2 3.39Å; I1240-Y1242 PolarHBondContact O-N 3.23Å; Y1242-H1244 PolarHBondContact O-N 3Å; Y1242-K2009 PolarHBondContact OH-NZ 3.43Å | ||
| 1243 | N | 27.3 | Very low | 35.1 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | trans | -69 | 69 | 162.6 | -77.8 | -23.4 | 0 | 0 | 0 | 109.9 | E1241 | E1241-N1243 PolarHBondContact O-N 3.01Å; E1241-N1243 PolarHBondContact OE1-ND2 3.21Å | ||
| 1244 | H | 32.5 | Very low | 37.3 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 78% | 0.782 | 66% | 0.657 | S | S | * | * | trans | -171.2 | 98.2 | 137.2 | -94.6 | -57.7 | 0 | 0 | 0 | 110.7 | Y1242 | Y1242-H1244 PolarHBondContact O-N 3Š| ||
| 1245 | H | 27.4 | Very low | 39.7 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 68% | 0.676 | 65% | 0.651 | S | S | * | * | 37.2 | 128.1 | 118.9 | -89.5 | -102.2 | 0 | 0 | 0 | 120.4 | |||||
| 1246 | H | 31.8 | Very low | 42.4 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 72.6 | 126.1 | 156.8 | -57 | -61.6 | 0 | 0 | 0 | 120.6 | Y1248 | H1246-Y1248 VanDerWaalsContact C-N 3.35Å; H1246-Y1248 PolarHBondContact O-N 3.47Å |
| 1247 | H | 32.8 | Very low | 44.8 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.787 | 60% | 0.603 | S | S | * | * | trans | 48.8 | 29.5 | 135.9 | -65.7 | -77.5 | 0 | 0 | 0 | 121 | L1249 | H1247-L1249 PolarHBondContact O-N 3.39Š| ||
| 1248 | Y | 34 | Very low | 47.4 | Very low | 212 Ų | 212 | 116.9 Ų | 116.9 | 83% | 0.831 | 56% | 0.561 | S | S | * | * | trans | -66.8 | 83 | 153.2 | -69.5 | -66.3 | 0 | 0 | 0 | 110.6 | H1246 K1250 | H1246-Y1248 VanDerWaalsContact C-N 3.35Å; H1246-Y1248 PolarHBondContact O-N 3.47Å; Y1248-K1250 PolarHBondContact O-N 2.84Å | ||
| 1249 | L | 35.7 | Very low | 50.3 | Low | 157 Ų | 157 | 114.5 Ų | 114.5 | 82% | 0.822 | 55% | 0.547 | S | S | * | . | trans | -43.7 | 105.7 | 159.1 | -81.8 | 159.2 | 0 | 0 | 0 | 107.6 | H1247 K1251 | H1247-L1249 PolarHBondContact O-N 3.39Å; L1249-K1251 VanDerWaalsContact C-N 3.28Å; L1249-K1251 PolarHBondContact O-N 3.3Å | ||
| 1250 | K | 47.8 | Very low | 52.9 | Low | 145 Ų | 145 | 115.3 Ų | 115.3 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | trans | -61.2 | 89.6 | -177.8 | -74.2 | -170.8 | -178.6 | -176.2 | 0 | 108.9 | Y1248 K1252 N1934 | Y1248-K1250 PolarHBondContact O-N 2.84Å; K1250-K1252 PolarHBondContact O-N 2.97Å; K1250-K1252 VanDerWaalsContact O-N 3.13Å; K1250-N1934 PolarHBondContact NZ-OD1 2.95Å | ||
| 1251 | K | 48.2 | Very low | 55.5 | Low | 182 Ų | 182 | 109.9 Ų | 109.9 | 79% | 0.791 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 122 | 174.7 | -74.1 | -173.9 | 178 | 179.3 | 0 | 107.3 | L1249 | L1249-K1251 VanDerWaalsContact C-N 3.28Å; L1249-K1251 PolarHBondContact O-N 3.3Å |
| 1252 | K | 57.8 | Low | 58.5 | Low | 122 Ų | 122 | 103.1 Ų | 103.1 | 53% | 0.53 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 145.7 | 179.7 | -68.1 | -166.1 | 169.2 | -158.2 | 0 | 109.7 | K1250 S1254 E1933 | K1250-K1252 PolarHBondContact O-N 2.97Å; K1250-K1252 VanDerWaalsContact O-N 3.13Å; K1252-S1254 PolarHBondContact O-N 3.46Å; K1252-E1933 WeakPolarHBondContact CE-OE1 3.39Å; K1252-E1933 WeakPolarHBondContact CE-OE2 3.45Å; K1252-E1933 VanDerWaalsContact NZ-CD 3.34Å; K1252-E1933 IonicContact NZ-OE1 3.89Å; K1252-E1933 PolarHBondContact NZ-OE1 2.74Å; K1252-E1933 IonicContact NZ-OE2 2.77Å; K1252-E1933 PolarHBondContact NZ-OE2 3.12Å |
| 1253 | P | 67.1 | Low | 61.3 | Low | 25 Ų | 25 | 97.3 Ų | 97.3 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -51.1 | 131.7 | 171.6 | -13.8 | 21.6 | 0 | 0 | 0 | 108.4 | L1255 N1257 M1258 L1960 | P1253-L1255 PolarHBondContact O-N 3.42Å; P1253-N1257 HydrophobicContact CB-CB 4.39Å; P1253-M1258 HydrophobicContact CB-CE 3.99Å; P1253-M1258 HydrophobicContact CG-CE 3.98Å; P1253-L1960 WeakPolarHBondContact CG-O 3.28Å |
| 1254 | S | 74 | Confident | 64.2 | Low | 52 Ų | 52 | 96.4 Ų | 96.4 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 143.4 | -178.5 | -32.4 | 0 | 0 | 0 | 0 | 108.6 | K1252 I1256 N1257 M1258 | K1252-S1254 PolarHBondContact O-N 3.46Å; S1254-I1256 PolarHBondContact O-N 3.01Å; S1254-N1257 WeakPolarHBondContact CB-OD1 3.44Å; S1254-N1257 PolarHBondContact N-OD1 3.46Å; S1254-N1257 WeakPolarHBondContact O-CA 3.49Å; S1254-N1257 VanDerWaalsContact O-CB 3.25Å; S1254-N1257 WeakPolarHBondContact O-CB 3.49Å; S1254-N1257 PolarHBondContact O-N 3.36Å; S1254-N1257 PolarHBondContact O-OD1 3.34Å; S1254-N1257 PolarHBondContact OG-OD1 3.42Å; S1254-M1258 PolarHBondContact O-N 3Å |
| 1255 | L | 80.6 | Confident | 66.9 | Low | 99 Ų | 99 | 89 Ų | 89 | 52% | 0.518 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -54.2 | -32.5 | 178.8 | -52.7 | 176.1 | 0 | 0 | 0 | 110.9 | P1253 N1257 M1258 M1259 L1621 I1624 | P1253-L1255 PolarHBondContact O-N 3.42Å; L1255-N1257 PolarHBondContact O-N 3.23Å; L1255-M1258 PolarHBondContact O-N 3.38Å; L1255-M1259 VanDerWaalsContact O-CG 3.26Å; L1255-M1259 WeakPolarHBondContact O-CG 3.36Å; L1255-M1259 PolarHBondContact O-N 3.48Å; L1255-L1621 HydrophobicContact CD2-CD1 3.84Å; L1255-I1624 HydrophobicContact CB-CD1 4.19Å; L1255-I1624 HydrophobicContact CD2-CD1 4Å |
| 1256 | I | 83.1 | Confident | 69.8 | Low | 98 Ų | 98 | 82.9 Ų | 82.9 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.6 | -37.5 | 172.5 | -58.5 | 173 | 0 | 0 | 0 | 112.8 | S1254 K1260 | S1254-I1256 PolarHBondContact O-N 3.01Å; I1256-K1260 HydrophobicContact CG2-CD 3.96Å; I1256-K1260 HydrophobicContact CG2-CG 4.34Å; I1256-K1260 VanDerWaalsContact O-CB 3.31Å; I1256-K1260 WeakPolarHBondContact O-CB 3.42Å; I1256-K1260 VanDerWaalsContact O-CG 3.27Å; I1256-K1260 WeakPolarHBondContact O-CG 3.3Å; I1256-K1260 PolarHBondContact O-N 3.46Å |
| 1257 | N | 82.3 | Confident | 72.5 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 173.4 | -60.8 | 39.7 | 0 | 0 | 0 | 110.2 | P1253 S1254 L1255 M1259 K1260 A1261 H1964 | P1253-N1257 HydrophobicContact CB-CB 4.39Å; S1254-N1257 WeakPolarHBondContact CB-OD1 3.44Å; S1254-N1257 PolarHBondContact N-OD1 3.46Å; S1254-N1257 WeakPolarHBondContact O-CA 3.49Å; S1254-N1257 VanDerWaalsContact O-CB 3.25Å; S1254-N1257 WeakPolarHBondContact O-CB 3.49Å; S1254-N1257 PolarHBondContact O-N 3.36Å; S1254-N1257 PolarHBondContact O-OD1 3.34Å; S1254-N1257 PolarHBondContact OG-OD1 3.42Å; L1255-N1257 PolarHBondContact O-N 3.23Å; N1257-M1259 VanDerWaalsContact C-N 3.31Å; N1257-M1259 PolarHBondContact O-N 3.07Å; N1257-K1260 PolarHBondContact O-N 2.98Å; N1257-A1261 VanDerWaalsContact O-CB 3.27Å; N1257-A1261 WeakPolarHBondContact O-CB 3.32Å; N1257-A1261 PolarHBondContact O-N 3.23Å; N1257-H1964 PolarHBondContact ND2-N 2.86Å; N1257-H1964 PolarHBondContact OD1-CD2 2.89Å |
| 1258 | M | 85.6 | Confident | 75 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | -177.2 | -59.3 | -179.1 | -178.5 | 0 | 0 | 110.7 | P1253 S1254 L1255 M1262 G1619 L1620 I1624 L1960 | P1253-M1258 HydrophobicContact CB-CE 3.99Å; P1253-M1258 HydrophobicContact CG-CE 3.98Å; S1254-M1258 PolarHBondContact O-N 3Å; L1255-M1258 PolarHBondContact O-N 3.38Å; M1258-M1262 VanDerWaalsContact O-CB 3.29Å; M1258-M1262 WeakPolarHBondContact O-CB 3.29Å; M1258-M1262 PolarHBondContact O-N 3.49Å; M1258-G1619 WeakPolarHBondContact CE-O 3.39Å; M1258-L1620 HydrophobicContact CB-CD1 3.99Å; M1258-I1624 HydrophobicContact CB-CD1 4.06Å; M1258-I1624 HydrophobicContact CB-CG2 4.17Å; M1258-I1624 HydrophobicContact SD-CD1 3.96Å; M1258-L1960 HydrophobicContact CB-CD2 4.39Å; M1258-L1960 HydrophobicContact CG-CD2 4.22Å |
| 1259 | M | 87.8 | Confident | 77.3 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 32% | 0.32 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -50.7 | 174.2 | -68.9 | 178.3 | 174.6 | 0 | 0 | 112 | L1255 N1257 A1261 M1262 A1263 I1624 I1628 | L1255-M1259 VanDerWaalsContact O-CG 3.26Å; L1255-M1259 WeakPolarHBondContact O-CG 3.36Å; L1255-M1259 PolarHBondContact O-N 3.48Å; N1257-M1259 VanDerWaalsContact C-N 3.31Å; N1257-M1259 PolarHBondContact O-N 3.07Å; M1259-A1261 PolarHBondContact O-N 3.41Å; M1259-M1262 PolarHBondContact O-N 3.1Å; M1259-A1263 WeakPolarHBondContact O-CB 3.22Å; M1259-A1263 PolarHBondContact O-N 3.37Å; M1259-I1624 HydrophobicContact CE-CG1 4.42Å; M1259-I1624 HydrophobicContact CG-CG2 3.92Å; M1259-I1628 HydrophobicContact CB-CD1 3.83Å; M1259-I1628 HydrophobicContact CB-CG1 4.26Å; M1259-I1628 HydrophobicContact CG-CD1 3.79Å; M1259-I1628 HydrophobicContact CG-CG1 4.04Å |
| 1260 | K | 86 | Confident | 79.4 | Confident | 118 Ų | 118 | 58.9 Ų | 58.9 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 177.7 | -76.2 | 175.4 | -179.9 | 173.5 | 0 | 112.3 | I1256 N1257 Y1264 | I1256-K1260 HydrophobicContact CG2-CD 3.96Å; I1256-K1260 HydrophobicContact CG2-CG 4.34Å; I1256-K1260 VanDerWaalsContact O-CB 3.31Å; I1256-K1260 WeakPolarHBondContact O-CB 3.42Å; I1256-K1260 VanDerWaalsContact O-CG 3.27Å; I1256-K1260 WeakPolarHBondContact O-CG 3.3Å; I1256-K1260 PolarHBondContact O-N 3.46Å; N1257-K1260 PolarHBondContact O-N 2.98Å; K1260-Y1264 VanDerWaalsContact O-CB 3.29Å; K1260-Y1264 WeakPolarHBondContact O-CB 3.16Å; K1260-Y1264 PolarHBondContact O-N 2.91Å |
| 1261 | A | 86.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | N1257 M1259 Y1264 K1265 F1956 Y1959 | N1257-A1261 VanDerWaalsContact O-CB 3.27Å; N1257-A1261 WeakPolarHBondContact O-CB 3.32Å; N1257-A1261 PolarHBondContact O-N 3.23Å; M1259-A1261 PolarHBondContact O-N 3.41Å; A1261-Y1264 PolarHBondContact O-N 3.2Å; A1261-K1265 WeakPolarHBondContact O-CB 3.44Å; A1261-K1265 PolarHBondContact O-N 2.88Å; A1261-F1956 HydrophobicContact CB-CD2 3.94Å; A1261-F1956 HydrophobicContact CB-CE2 4.17Å; A1261-F1956 WeakPolarHBondContact O-CD2 3.26Å; A1261-Y1959 HydrophobicContact CB-CG 4.42Å |
| 1262 | M | 89.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 178 | -168.7 | 64.7 | -178.2 | 0 | 0 | 111.7 | M1258 M1259 K1265 R1266 L1620 Y1625 I1628 N1629 | M1258-M1262 VanDerWaalsContact O-CB 3.29Å; M1258-M1262 WeakPolarHBondContact O-CB 3.29Å; M1258-M1262 PolarHBondContact O-N 3.49Å; M1259-M1262 PolarHBondContact O-N 3.1Å; M1262-K1265 PolarHBondContact O-N 3.41Å; M1262-K1265 HydrophobicContact SD-CD 4.23Å; M1262-R1266 PolarHBondContact O-N 3.33Å; M1262-L1620 HydrophobicContact SD-CD2 4.24Å; M1262-Y1625 HydrophobicContact CE-CD2 3.52Å; M1262-Y1625 HydrophobicContact CE-CE2 3.67Å; M1262-Y1625 HydrophobicContact CE-CG 4.39Å; M1262-Y1625 HydrophobicContact SD-CD2 4.45Å; M1262-I1628 HydrophobicContact CB-CB 4.32Å; M1262-I1628 HydrophobicContact CB-CG2 3.9Å; M1262-I1628 HydrophobicContact CG-CB 4.05Å; M1262-I1628 HydrophobicContact CG-CG2 3.78Å; M1262-N1629 WeakPolarHBondContact CE-OD1 3.41Å |
| 1263 | A | 88.9 | Confident | 83.6 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1259 K1265 R1266 Y1267 I1628 Y1632 | M1259-A1263 WeakPolarHBondContact O-CB 3.22Å; M1259-A1263 PolarHBondContact O-N 3.37Å; A1263-K1265 PolarHBondContact O-N 2.9Å; A1263-R1266 PolarHBondContact O-N 3.48Å; A1263-Y1267 PolarHBondContact O-N 3.33Å; A1263-I1628 HydrophobicContact CB-CG2 4.31Å; A1263-Y1632 HydrophobicContact CB-CE2 3.5Å; A1263-Y1632 PolarHBondContact O-OH 3.35Å |
| 1264 | Y | 88.9 | Confident | 83.9 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.7 | -178.8 | -114.7 | 0 | 0 | 0 | 112.5 | K1260 A1261 Y1267 I1268 | K1260-Y1264 VanDerWaalsContact O-CB 3.29Å; K1260-Y1264 WeakPolarHBondContact O-CB 3.16Å; K1260-Y1264 PolarHBondContact O-N 2.91Å; A1261-Y1264 PolarHBondContact O-N 3.2Å; Y1264-Y1267 PolarHBondContact O-N 3.12Å; Y1264-I1268 HydrophobicContact CD1-CD1 3.93Å; Y1264-I1268 HydrophobicContact CE1-CD1 3.5Å; Y1264-I1268 VanDerWaalsContact CE1-CD1 3.5Å; Y1264-I1268 HydrophobicContact CE2-CD1 4.14Å; Y1264-I1268 HydrophobicContact CE2-CG1 4.49Å; Y1264-I1268 HydrophobicContact CG-CD1 4.43Å; Y1264-I1268 WeakPolarHBondContact O-CG1 3.24Å; Y1264-I1268 PolarHBondContact O-N 3.3Å |
| 1265 | K | 90 | Very high | 83.6 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 172.1 | 169.2 | 174.3 | 165.4 | -105.8 | 0 | 112 | A1261 M1262 A1263 I1268 H1269 E1606 M1948 F1956 | A1261-K1265 WeakPolarHBondContact O-CB 3.44Å; A1261-K1265 PolarHBondContact O-N 2.88Å; M1262-K1265 PolarHBondContact O-N 3.41Å; M1262-K1265 HydrophobicContact SD-CD 4.23Å; A1263-K1265 PolarHBondContact O-N 2.9Å; K1265-I1268 PolarHBondContact O-N 2.88Å; K1265-H1269 PolarHBondContact O-N 3.09Å; K1265-H1269 VanDerWaalsContact O-N 3.08Å; K1265-E1606 VanDerWaalsContact CE-OE1 3.3Å; K1265-E1606 WeakPolarHBondContact CE-OE1 3.19Å; K1265-E1606 IonicContact NZ-OE1 3.15Å; K1265-E1606 PolarHBondContact NZ-OE1 3.32Å; K1265-E1606 IonicContact NZ-OE2 3.37Å; K1265-E1606 PolarHBondContact NZ-OE2 3.5Å; K1265-M1948 HydrophobicContact CG-SD 4.4Å; K1265-F1956 HydrophobicContact CB-CD2 3.87Å; K1265-F1956 HydrophobicContact CB-CE2 3.87Å; K1265-F1956 HydrophobicContact CD-CD2 4.11Å; K1265-F1956 HydrophobicContact CD-CE1 4.02Å; K1265-F1956 HydrophobicContact CD-CE2 3.57Å; K1265-F1956 HydrophobicContact CD-CZ 3.51Å; K1265-F1956 HydrophobicContact CG-CE2 4.37Å |
| 1266 | R | 88 | Confident | 83.1 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.5 | -86.8 | -64.6 | -160.9 | 139.3 | 7.7 | 112.5 | M1262 A1263 H1269 L1270 N1629 Y1632 D1633 | M1262-R1266 PolarHBondContact O-N 3.33Å; A1263-R1266 PolarHBondContact O-N 3.48Å; R1266-H1269 PolarHBondContact O-N 3.31Å; R1266-L1270 PolarHBondContact O-N 3.26Å; R1266-N1629 PolarHBondContact NE-OD1 3.29Å; R1266-N1629 PolarHBondContact NH2-OD1 2.99Å; R1266-Y1632 HydrophobicContact CB-CD1 3.68Å; R1266-Y1632 HydrophobicContact CB-CD2 4.33Å; R1266-Y1632 HydrophobicContact CB-CE1 4Å; R1266-Y1632 HydrophobicContact CB-CG 3.86Å; R1266-Y1632 HydrophobicContact CG-CG 4.26Å; R1266-D1633 IonicContact CZ-OD1 2.83Å; R1266-D1633 IonicContact CZ-OD2 2.66Å; R1266-D1633 IonicContact NH1-OD1 3.19Å; R1266-D1633 PolarHBondContact NH1-OD1 2.96Å; R1266-D1633 IonicContact NH1-OD2 2.81Å; R1266-D1633 PolarHBondContact NH1-OD2 2.9Å; R1266-D1633 IonicContact NH2-OD1 2.67Å; R1266-D1633 PolarHBondContact NH2-OD1 2.83Å; R1266-D1633 IonicContact NH2-OD2 3.34Å; R1266-D1633 PolarHBondContact NH2-OD2 3.07Å |
| 1267 | Y | 87.5 | Confident | 82.8 | Confident | 107 Ų | 107 | 55.4 Ų | 55.4 | 42% | 0.42 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.9 | -46 | 175 | 172.7 | -97.7 | 0 | 0 | 0 | 112.5 | A1263 Y1264 H1269 L1270 K1271 | A1263-Y1267 PolarHBondContact O-N 3.33Å; Y1264-Y1267 PolarHBondContact O-N 3.12Å; Y1267-H1269 PolarHBondContact O-N 3.48Å; Y1267-L1270 PolarHBondContact O-N 2.91Å; Y1267-K1271 HydrophobicContact CE1-CD 3.84Å; Y1267-K1271 VanDerWaalsContact O-CB 3.26Å; Y1267-K1271 WeakPolarHBondContact O-CB 3.41Å; Y1267-K1271 PolarHBondContact O-N 2.91Å; Y1267-K1271 PolarHBondContact OH-NZ 2.93Å; Y1267-K1271 VanDerWaalsContact OH-NZ 3.12Å |
| 1268 | I | 86 | Confident | 82.5 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.8 | -69.5 | 165.4 | 0 | 0 | 0 | 111.2 | Y1264 K1265 K1271 R1272 M1948 E1952 | Y1264-I1268 HydrophobicContact CD1-CD1 3.93Å; Y1264-I1268 HydrophobicContact CE1-CD1 3.5Å; Y1264-I1268 VanDerWaalsContact CE1-CD1 3.5Å; Y1264-I1268 HydrophobicContact CE2-CD1 4.14Å; Y1264-I1268 HydrophobicContact CE2-CG1 4.49Å; Y1264-I1268 HydrophobicContact CG-CD1 4.43Å; Y1264-I1268 WeakPolarHBondContact O-CG1 3.24Å; Y1264-I1268 PolarHBondContact O-N 3.3Å; K1265-I1268 PolarHBondContact O-N 2.88Å; I1268-K1271 PolarHBondContact O-N 3.4Å; I1268-R1272 PolarHBondContact O-N 3.26Å; I1268-M1948 HydrophobicContact CD1-CE 4.01Å; I1268-M1948 HydrophobicContact CG2-CG 4.06Å; I1268-E1952 HydrophobicContact CD1-CB 4.21Å; I1268-E1952 HydrophobicContact CD1-CG 4.14Å |
| 1269 | H | 82.7 | Confident | 82.1 | Confident | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -52.2 | 178.1 | 179.7 | -96.1 | 0 | 0 | 0 | 111.5 | K1265 R1266 Y1267 K1271 R1272 N1273 F1947 | K1265-H1269 PolarHBondContact O-N 3.09Å; K1265-H1269 VanDerWaalsContact O-N 3.08Å; R1266-H1269 PolarHBondContact O-N 3.31Å; Y1267-H1269 PolarHBondContact O-N 3.48Å; H1269-K1271 VanDerWaalsContact C-N 3.34Å; H1269-K1271 PolarHBondContact O-N 2.91Å; H1269-R1272 PolarHBondContact O-N 3.31Å; H1269-N1273 VanDerWaalsContact O-CB 3.31Å; H1269-N1273 WeakPolarHBondContact O-CB 3.21Å; H1269-N1273 PolarHBondContact O-N 2.8Å; H1269-F1947 AromaticContact CD2-CD2 3.68Å; H1269-F1947 AromaticContact CD2-CE2 3.91Å; H1269-F1947 AromaticContact NE2-CE2 3.85Å |
| 1270 | L | 79.8 | Confident | 81.9 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.4 | -180 | 142.9 | 0 | 0 | 0 | 112.2 | R1266 Y1267 R1272 W1277 T1636 | R1266-L1270 PolarHBondContact O-N 3.26Å; Y1267-L1270 PolarHBondContact O-N 2.91Å; L1270-R1272 VanDerWaalsContact C-N 3.33Å; L1270-R1272 PolarHBondContact O-N 3.49Å; L1270-W1277 PolarHBondContact O-NE1 3.2Å; L1270-T1636 HydrophobicContact CD1-CG2 3.33Å |
| 1271 | K | 82.7 | Confident | 81.8 | Confident | 127 Ų | 127 | 54.2 Ų | 54.2 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.9 | -30.3 | 179.9 | -174.3 | 173.4 | -171.4 | 168.7 | 0 | 113.5 | Y1267 I1268 H1269 | Y1267-K1271 HydrophobicContact CE1-CD 3.84Å; Y1267-K1271 VanDerWaalsContact O-CB 3.26Å; Y1267-K1271 WeakPolarHBondContact O-CB 3.41Å; Y1267-K1271 PolarHBondContact O-N 2.91Å; Y1267-K1271 PolarHBondContact OH-NZ 2.93Å; Y1267-K1271 VanDerWaalsContact OH-NZ 3.12Å; I1268-K1271 PolarHBondContact O-N 3.4Å; H1269-K1271 VanDerWaalsContact C-N 3.34Å; H1269-K1271 PolarHBondContact O-N 2.91Å |
| 1272 | R | 83.1 | Confident | 81.8 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -101.8 | -27.6 | -175.6 | -72.1 | -175.1 | 176.8 | 145 | 11 | 114.4 | I1268 H1269 L1270 K1274 F1947 E1952 | I1268-R1272 PolarHBondContact O-N 3.26Å; H1269-R1272 PolarHBondContact O-N 3.31Å; L1270-R1272 VanDerWaalsContact C-N 3.33Å; L1270-R1272 PolarHBondContact O-N 3.49Å; R1272-K1274 VanDerWaalsContact C-N 3.3Å; R1272-K1274 PolarHBondContact O-N 3.38Å; R1272-F1947 HydrophobicContact CB-CB 4.48Å; R1272-F1947 WeakPolarHBondContact CD-O 3.27Å; R1272-F1947 PolarHBondContact NH1-O 3.15Å; R1272-E1952 IonicContact CZ-OE1 3.87Å; R1272-E1952 IonicContact CZ-OE2 3.31Å; R1272-E1952 IonicContact NH1-OE1 3.54Å; R1272-E1952 PolarHBondContact NH1-OE1 2.97Å; R1272-E1952 IonicContact NH1-OE2 2.71Å; R1272-E1952 PolarHBondContact NH1-OE2 3.35Å; R1272-E1952 IonicContact NH2-OE1 2.77Å; R1272-E1952 PolarHBondContact NH2-OE1 2.79Å; R1272-E1952 IonicContact NH2-OE2 3.96Å |
| 1273 | N | 76.6 | Confident | 81.3 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | trans | -78.1 | 79.2 | 175.1 | -174 | 3.1 | 0 | 0 | 0 | 111.1 | H1269 L1275 S1276 W1277 F1947 | H1269-N1273 VanDerWaalsContact O-CB 3.31Å; H1269-N1273 WeakPolarHBondContact O-CB 3.21Å; H1269-N1273 PolarHBondContact O-N 2.8Å; N1273-L1275 PolarHBondContact O-N 3.49Å; N1273-L1275 VanDerWaalsContact O-N 3.13Å; N1273-L1275 PolarHBondContact OD1-N 3.31Å; N1273-S1276 PolarHBondContact ND2-OG 3Å; N1273-S1276 VanDerWaalsContact O-CB 3.29Å; N1273-S1276 WeakPolarHBondContact O-CB 3.32Å; N1273-S1276 PolarHBondContact O-N 2.78Å; N1273-S1276 VanDerWaalsContact O-N 3.11Å; N1273-S1276 PolarHBondContact OD1-N 3.29Å; N1273-W1277 PolarHBondContact O-N 3.34Å; N1273-F1947 HydrophobicContact CB-CE1 4.47Å | ||
| 1274 | K | 71.9 | Confident | 81.1 | Confident | 170 Ų | 170 | 60 Ų | 60 | 74% | 0.739 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.6 | -21.7 | 178.9 | -65.4 | -171.6 | 178.2 | -174.8 | 0 | 114.1 | R1272 F1278 | R1272-K1274 VanDerWaalsContact C-N 3.3Å; R1272-K1274 PolarHBondContact O-N 3.38Å; K1274-F1278 PolarHBondContact O-N 3.21Å |
| 1275 | L | 68 | Low | 81 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 52% | 0.518 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.2 | -39.6 | 176.7 | -175 | 63.5 | 0 | 0 | 0 | 111.2 | N1273 F1278 I1279 | N1273-L1275 PolarHBondContact O-N 3.49Å; N1273-L1275 VanDerWaalsContact O-N 3.13Å; N1273-L1275 PolarHBondContact OD1-N 3.31Å; L1275-F1278 PolarHBondContact O-N 2.97Å; L1275-I1279 HydrophobicContact CD1-CD1 4.16Å; L1275-I1279 HydrophobicContact CG-CD1 3.95Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.43Å; L1275-I1279 PolarHBondContact O-N 2.94Å |
| 1276 | S | 70.6 | Confident | 80.7 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.8 | -51.7 | 169.1 | -106.4 | 0 | 0 | 0 | 0 | 111 | N1273 F1278 I1279 E1280 | N1273-S1276 PolarHBondContact ND2-OG 3Å; N1273-S1276 VanDerWaalsContact O-CB 3.29Å; N1273-S1276 WeakPolarHBondContact O-CB 3.32Å; N1273-S1276 PolarHBondContact O-N 2.78Å; N1273-S1276 VanDerWaalsContact O-N 3.11Å; N1273-S1276 PolarHBondContact OD1-N 3.29Å; S1276-F1278 VanDerWaalsContact C-N 3.3Å; S1276-F1278 PolarHBondContact O-N 2.98Å; S1276-I1279 PolarHBondContact O-N 2.87Å; S1276-E1280 WeakPolarHBondContact CB-OE1 3.21Å; S1276-E1280 WeakPolarHBondContact O-CB 3.29Å; S1276-E1280 WeakPolarHBondContact O-CG 3.17Å; S1276-E1280 PolarHBondContact O-N 3.46Å; S1276-E1280 PolarHBondContact OG-OE1 3.27Å |
| 1277 | W | 76.3 | Confident | 80.5 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -52.5 | -42.4 | 179.2 | -100.4 | 64.7 | 0 | 0 | 0 | 114.3 | L1270 N1273 F1281 | L1270-W1277 PolarHBondContact O-NE1 3.2Å; N1273-W1277 PolarHBondContact O-N 3.34Å; W1277-F1281 HydrophobicContact CD2-CD2 4.38Å; W1277-F1281 HydrophobicContact CG-CD2 4.49Å; W1277-F1281 PolarHBondContact O-N 3.41Å |
| 1278 | F | 76.8 | Confident | 80.3 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -67.2 | -40 | 178.1 | -178.8 | -92.9 | 0 | 0 | 0 | 112.1 | K1274 L1275 S1276 I1282 F1283 | K1274-F1278 PolarHBondContact O-N 3.21Å; L1275-F1278 PolarHBondContact O-N 2.97Å; S1276-F1278 VanDerWaalsContact C-N 3.3Å; S1276-F1278 PolarHBondContact O-N 2.98Å; F1278-I1282 HydrophobicContact CD2-CB 4.08Å; F1278-I1282 HydrophobicContact CD2-CD1 4.06Å; F1278-I1282 HydrophobicContact CD2-CG2 4.11Å; F1278-I1282 HydrophobicContact CE2-CB 4.34Å; F1278-I1282 HydrophobicContact CE2-CG2 3.91Å; F1278-I1282 WeakPolarHBondContact O-CB 3.28Å; F1278-I1282 PolarHBondContact O-N 2.85Å; F1278-F1283 HydrophobicContact CE1-CB 4.37Å; F1278-F1283 HydrophobicContact CE1-CD2 4.44Å; F1278-F1283 WeakPolarHBondContact O-CB 3.18Å; F1278-F1283 PolarHBondContact O-N 3.24Å |
| 1279 | I | 75.6 | Confident | 80.3 | Confident | 29 Ų | 29 | 59 Ų | 59 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -78.3 | -35.6 | -176.3 | -65.6 | 168.5 | 0 | 0 | 0 | 112 | L1275 S1276 P1284 F1694 | L1275-I1279 HydrophobicContact CD1-CD1 4.16Å; L1275-I1279 HydrophobicContact CG-CD1 3.95Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.43Å; L1275-I1279 PolarHBondContact O-N 2.94Å; S1276-I1279 PolarHBondContact O-N 2.87Å; I1279-P1284 WeakPolarHBondContact O-CD 3.36Å; I1279-F1694 HydrophobicContact CD1-CE1 4.16Å; I1279-F1694 HydrophobicContact CD1-CZ 3.85Å; I1279-F1694 HydrophobicContact CG2-CE2 3.97Å; I1279-F1694 HydrophobicContact CG2-CZ 3.79Å |
| 1280 | E | 83.9 | Confident | 80 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 5% | 0.051 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -80.7 | -38.1 | -176.2 | -73.1 | 159.8 | -147.1 | 0 | 0 | 112.6 | S1276 S1598 F1599 S1640 | S1276-E1280 WeakPolarHBondContact CB-OE1 3.21Å; S1276-E1280 WeakPolarHBondContact O-CB 3.29Å; S1276-E1280 WeakPolarHBondContact O-CG 3.17Å; S1276-E1280 PolarHBondContact O-N 3.46Å; S1276-E1280 PolarHBondContact OG-OE1 3.27Å; E1280-S1598 WeakPolarHBondContact CG-OG 3.41Å; E1280-F1599 HydrophobicContact CG-CE1 4.43Å; E1280-S1640 VanDerWaalsContact O-CB 3.23Å; E1280-S1640 WeakPolarHBondContact O-CB 3.48Å |
| 1281 | F | 85.7 | Confident | 79.8 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -111.5 | -47.4 | -174.5 | -60.4 | -77.6 | 0 | 0 | 0 | 113.9 | W1277 C1285 L1639 L1643 | W1277-F1281 HydrophobicContact CD2-CD2 4.38Å; W1277-F1281 HydrophobicContact CG-CD2 4.49Å; W1277-F1281 PolarHBondContact O-N 3.41Å; F1281-C1285 PolarHBondContact O-SG 3.43Å; F1281-L1639 HydrophobicContact CE1-CB 3.94Å; F1281-L1643 HydrophobicContact CD1-CD1 4.12Å |
| 1282 | I | 84.5 | Confident | 79.5 | Confident | 87 Ų | 87 | 55 Ų | 55 | 45% | 0.446 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -82.7 | -46.6 | -168.8 | -59 | 175.7 | 0 | 0 | 0 | 111.4 | F1278 C1285 L1286 | F1278-I1282 HydrophobicContact CD2-CB 4.08Å; F1278-I1282 HydrophobicContact CD2-CD1 4.06Å; F1278-I1282 HydrophobicContact CD2-CG2 4.11Å; F1278-I1282 HydrophobicContact CE2-CB 4.34Å; F1278-I1282 HydrophobicContact CE2-CG2 3.91Å; F1278-I1282 WeakPolarHBondContact O-CB 3.28Å; F1278-I1282 PolarHBondContact O-N 2.85Å; I1282-C1285 PolarHBondContact O-N 3.44Å; I1282-L1286 WeakPolarHBondContact O-CB 3.24Å; I1282-L1286 PolarHBondContact O-N 3.43Å |
| 1283 | F | 80.9 | Confident | 78.9 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 23% | 0.228 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | -175.4 | -175.4 | -102.1 | 0 | 0 | 0 | 114.5 | F1278 L1286 L1287 F1594 | F1278-F1283 HydrophobicContact CE1-CB 4.37Å; F1278-F1283 HydrophobicContact CE1-CD2 4.44Å; F1278-F1283 WeakPolarHBondContact O-CB 3.18Å; F1278-F1283 PolarHBondContact O-N 3.24Å; F1283-L1286 PolarHBondContact O-N 3.41Å; F1283-L1287 HydrophobicContact CE1-CD1 4.31Å; F1283-L1287 HydrophobicContact CZ-CD1 4.41Å; F1283-L1287 WeakPolarHBondContact O-CB 3.29Å; F1283-L1287 PolarHBondContact O-N 3.37Å; F1283-F1594 HydrophobicContact CD1-CD2 4.38Å; F1283-F1594 HydrophobicContact CD1-CG 4.25Å; F1283-F1594 AromaticContact CE1-CD1 3.99Å; F1283-F1594 HydrophobicContact CE1-CD1 3.99Å; F1283-F1594 AromaticContact CE1-CD2 3.84Å; F1283-F1594 HydrophobicContact CE1-CD2 3.84Å; F1283-F1594 AromaticContact CE1-CE1 3.98Å; F1283-F1594 HydrophobicContact CE1-CE1 3.98Å; F1283-F1594 AromaticContact CE1-CE2 3.84Å; F1283-F1594 HydrophobicContact CE1-CE2 3.84Å; F1283-F1594 AromaticContact CE1-CG 3.93Å; F1283-F1594 HydrophobicContact CE1-CG 3.93Å; F1283-F1594 AromaticContact CE1-CZ 3.91Å; F1283-F1594 HydrophobicContact CE1-CZ 3.91Å; F1283-F1594 HydrophobicContact CZ-CZ 4.47Å |
| 1284 | P | 84.4 | Confident | 78.5 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.7 | -21.4 | 34.7 | 0 | 0 | 0 | 112.2 | I1279 L1286 L1287 L1288 A1591 I1595 | I1279-P1284 WeakPolarHBondContact O-CD 3.36Å; P1284-L1286 PolarHBondContact O-N 3.48Å; P1284-L1287 PolarHBondContact O-N 3.48Å; P1284-L1288 WeakPolarHBondContact O-CB 3.12Å; P1284-L1288 PolarHBondContact O-N 2.92Å; P1284-A1591 HydrophobicContact CB-CB 4.16Å; P1284-I1595 HydrophobicContact CB-CD1 4.14Å; P1284-I1595 HydrophobicContact CB-CG1 4.19Å; P1284-I1595 HydrophobicContact CG-CD1 4.04Å; P1284-I1595 HydrophobicContact CG-CG1 3.56Å |
| 1285 | C | 87.2 | Confident | 78.3 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | F1281 I1282 L1288 L1289 I1647 | F1281-C1285 PolarHBondContact O-SG 3.43Å; I1282-C1285 PolarHBondContact O-N 3.44Å; C1285-L1288 PolarHBondContact O-N 3.46Å; C1285-L1289 WeakPolarHBondContact O-CB 3.39Å; C1285-L1289 VanDerWaalsContact O-CG 3.32Å; C1285-L1289 WeakPolarHBondContact O-CG 3.41Å; C1285-L1289 PolarHBondContact O-N 2.9Å; C1285-I1647 HydrophobicContact CB-CD1 3.63Å |
| 1286 | L | 83.2 | Confident | 78.2 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 41% | 0.408 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.4 | -175.7 | 152.3 | 0 | 0 | 0 | 111.9 | I1282 F1283 P1284 L1289 I1290 | I1282-L1286 WeakPolarHBondContact O-CB 3.24Å; I1282-L1286 PolarHBondContact O-N 3.43Å; F1283-L1286 PolarHBondContact O-N 3.41Å; P1284-L1286 PolarHBondContact O-N 3.48Å; L1286-L1289 PolarHBondContact O-N 3.41Å; L1286-I1290 HydrophobicContact CD2-CD1 3.61Å; L1286-I1290 HydrophobicContact CD2-CG1 4.41Å; L1286-I1290 WeakPolarHBondContact O-CG1 3.19Å; L1286-I1290 PolarHBondContact O-N 3.43Å |
| 1287 | L | 83 | Confident | 77.6 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176 | -169.8 | 152.4 | 0 | 0 | 0 | 111.5 | F1283 P1284 I1290 G1291 F1587 L1590 A1591 F1594 | F1283-L1287 HydrophobicContact CE1-CD1 4.31Å; F1283-L1287 HydrophobicContact CZ-CD1 4.41Å; F1283-L1287 WeakPolarHBondContact O-CB 3.29Å; F1283-L1287 PolarHBondContact O-N 3.37Å; P1284-L1287 PolarHBondContact O-N 3.48Å; L1287-I1290 PolarHBondContact O-N 3.47Å; L1287-G1291 PolarHBondContact O-N 3.19Å; L1287-F1587 HydrophobicContact CD2-CD1 4.15Å; L1287-F1587 WeakPolarHBondContact CD2-O 3.46Å; L1287-L1590 HydrophobicContact CD2-CB 4.12Å; L1287-A1591 HydrophobicContact CD2-CB 4.17Å; L1287-F1594 HydrophobicContact CD1-CD2 4.33Å; L1287-F1594 HydrophobicContact CD1-CE2 3.83Å |
| 1288 | L | 84.3 | Confident | 76.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -40.2 | 177.2 | -169.8 | 150.1 | 0 | 0 | 0 | 112 | P1284 C1285 G1291 I1292 L1588 A1591 C1644 I1647 I1648 | P1284-L1288 WeakPolarHBondContact O-CB 3.12Å; P1284-L1288 PolarHBondContact O-N 2.92Å; C1285-L1288 PolarHBondContact O-N 3.46Å; L1288-G1291 PolarHBondContact O-N 2.91Å; L1288-I1292 HydrophobicContact CD2-CD1 3.61Å; L1288-I1292 HydrophobicContact CD2-CG1 4.33Å; L1288-I1292 PolarHBondContact O-N 3.08Å; L1288-L1588 HydrophobicContact CD1-CG 4.31Å; L1288-A1591 HydrophobicContact CB-CB 4.44Å; L1288-C1644 HydrophobicContact CD1-CB 4.08Å; L1288-I1647 HydrophobicContact CD2-CB 3.94Å; L1288-I1647 HydrophobicContact CD2-CG2 3.44Å; L1288-I1647 VanDerWaalsContact CD2-CG2 3.44Å; L1288-I1648 HydrophobicContact CD1-CD1 4.31Å; L1288-I1648 HydrophobicContact CD1-CG1 4.32Å; L1288-I1648 HydrophobicContact CD2-CG1 4.33Å |
| 1289 | L | 84.4 | Confident | 75.5 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 173 | -75.2 | 167.9 | 0 | 0 | 0 | 112.6 | C1285 L1286 G1291 I1292 G1293 I1647 | C1285-L1289 WeakPolarHBondContact O-CB 3.39Å; C1285-L1289 VanDerWaalsContact O-CG 3.32Å; C1285-L1289 WeakPolarHBondContact O-CG 3.41Å; C1285-L1289 PolarHBondContact O-N 2.9Å; L1286-L1289 PolarHBondContact O-N 3.41Å; L1289-G1291 VanDerWaalsContact C-N 3.32Å; L1289-I1292 PolarHBondContact O-N 3.49Å; L1289-G1293 PolarHBondContact O-N 3.27Å; L1289-I1647 HydrophobicContact CD2-CG2 3.65Å; L1289-I1647 HydrophobicContact CG-CD1 4.43Å; L1289-I1647 HydrophobicContact CG-CG2 4.15Å |
| 1290 | I | 76.9 | Confident | 74.4 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 46% | 0.462 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 171.9 | -72.5 | 175.5 | 0 | 0 | 0 | 110.7 | L1286 L1287 F1294 | L1286-I1290 HydrophobicContact CD2-CD1 3.61Å; L1286-I1290 HydrophobicContact CD2-CG1 4.41Å; L1286-I1290 WeakPolarHBondContact O-CG1 3.19Å; L1286-I1290 PolarHBondContact O-N 3.43Å; L1287-I1290 PolarHBondContact O-N 3.47Å; I1290-F1294 VanDerWaalsContact O-CB 3.27Å; I1290-F1294 WeakPolarHBondContact O-CB 3.39Å; I1290-F1294 PolarHBondContact O-N 2.88Å |
| 1291 | G | 75.4 | Confident | 72.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L1287 L1288 L1289 F1294 L1295 F1587 | L1287-G1291 PolarHBondContact O-N 3.19Å; L1288-G1291 PolarHBondContact O-N 2.91Å; L1289-G1291 VanDerWaalsContact C-N 3.32Å; G1291-F1294 PolarHBondContact O-N 3.12Å; G1291-L1295 WeakPolarHBondContact O-CD1 3.45Å; G1291-L1295 WeakPolarHBondContact O-CG 3.43Å; G1291-L1295 PolarHBondContact O-N 3.37Å; G1291-F1587 VanDerWaalsContact CA-CD2 3.47Å |
| 1292 | I | 77.3 | Confident | 71.3 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 176.2 | -71.8 | 174.6 | 0 | 0 | 0 | 111.4 | L1288 L1289 F1294 L1295 E1296 L1584 I1647 H1651 | L1288-I1292 HydrophobicContact CD2-CD1 3.61Å; L1288-I1292 HydrophobicContact CD2-CG1 4.33Å; L1288-I1292 PolarHBondContact O-N 3.08Å; L1289-I1292 PolarHBondContact O-N 3.49Å; I1292-F1294 PolarHBondContact O-N 2.84Å; I1292-L1295 WeakPolarHBondContact O-CA 3.18Å; I1292-L1295 WeakPolarHBondContact O-CB 3.47Å; I1292-L1295 PolarHBondContact O-N 2.96Å; I1292-E1296 HydrophobicContact CG2-CG 4.5Å; I1292-E1296 PolarHBondContact O-N 3.22Å; I1292-L1584 HydrophobicContact CG1-CD1 4.09Å; I1292-I1647 HydrophobicContact CD1-CG2 4.02Å; I1292-H1651 HydrophobicContact CD1-CB 4.05Å |
| 1293 | G | 70.2 | Confident | 70.2 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -29.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1289 Y1297 | L1289-G1293 PolarHBondContact O-N 3.27Å; G1293-Y1297 WeakPolarHBondContact O-CB 3.39Å; G1293-Y1297 PolarHBondContact O-N 3Å |
| 1294 | F | 67.9 | Low | 69.6 | Low | 66 Ų | 66 | 64.1 Ų | 64.1 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.5 | -32.8 | 170.9 | -174.9 | -88.7 | 0 | 0 | 0 | 112.3 | I1290 G1291 I1292 F1298 L1583 F1587 | I1290-F1294 VanDerWaalsContact O-CB 3.27Å; I1290-F1294 WeakPolarHBondContact O-CB 3.39Å; I1290-F1294 PolarHBondContact O-N 2.88Å; G1291-F1294 PolarHBondContact O-N 3.12Å; I1292-F1294 PolarHBondContact O-N 2.84Å; F1294-F1298 HydrophobicContact CD1-CD2 4.33Å; F1294-F1298 HydrophobicContact CD1-CE2 4.15Å; F1294-F1298 HydrophobicContact CD2-CE2 4.36Å; F1294-F1298 HydrophobicContact CE1-CD2 4.09Å; F1294-F1298 HydrophobicContact CE1-CE1 4.48Å; F1294-F1298 AromaticContact CE1-CE2 3.57Å; F1294-F1298 HydrophobicContact CE1-CE2 3.57Å; F1294-F1298 AromaticContact CE1-CZ 3.79Å; F1294-F1298 HydrophobicContact CE1-CZ 3.79Å; F1294-F1298 AromaticContact CE2-CE2 3.83Å; F1294-F1298 HydrophobicContact CE2-CE2 3.83Å; F1294-F1298 HydrophobicContact CE2-CZ 4.29Å; F1294-F1298 HydrophobicContact CZ-CD2 4.33Å; F1294-F1298 AromaticContact CZ-CE2 3.4Å; F1294-F1298 HydrophobicContact CZ-CE2 3.4Å; F1294-F1298 AromaticContact CZ-CZ 3.52Å; F1294-F1298 HydrophobicContact CZ-CZ 3.52Å; F1294-F1298 WeakPolarHBondContact O-CD2 3.22Å; F1294-L1583 HydrophobicContact CD1-CD2 3.78Å; F1294-L1583 HydrophobicContact CE1-CD2 3.77Å; F1294-F1587 HydrophobicContact CD1-CE2 4.23Å; F1294-F1587 HydrophobicContact CD1-CZ 4.44Å |
| 1295 | L | 67.8 | Low | 69.1 | Low | 19 Ų | 19 | 66.6 Ų | 66.6 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -75.8 | -43.4 | 178 | -77.1 | 160.4 | 0 | 0 | 0 | 112.9 | G1291 I1292 Y1297 F1298 K1299 A1580 L1583 L1584 | G1291-L1295 WeakPolarHBondContact O-CD1 3.45Å; G1291-L1295 WeakPolarHBondContact O-CG 3.43Å; G1291-L1295 PolarHBondContact O-N 3.37Å; I1292-L1295 WeakPolarHBondContact O-CA 3.18Å; I1292-L1295 WeakPolarHBondContact O-CB 3.47Å; I1292-L1295 PolarHBondContact O-N 2.96Å; L1295-Y1297 PolarHBondContact O-N 2.99Å; L1295-F1298 PolarHBondContact O-N 2.95Å; L1295-K1299 PolarHBondContact O-N 3.07Å; L1295-A1580 HydrophobicContact CD2-CB 3.86Å; L1295-A1580 WeakPolarHBondContact CD2-O 3.22Å; L1295-L1583 HydrophobicContact CD2-CB 4.21Å; L1295-L1583 HydrophobicContact CD2-CD2 3.74Å; L1295-L1583 HydrophobicContact CG-CD2 4.21Å; L1295-L1584 HydrophobicContact CD1-CB 3.58Å; L1295-L1584 HydrophobicContact CD1-CD1 3.84Å; L1295-L1584 HydrophobicContact CD1-CD2 4.49Å; L1295-L1584 HydrophobicContact CD1-CG 4.15Å |
| 1296 | E | 66.7 | Low | 68.7 | Low | 120 Ų | 120 | 71.1 Ų | 71.1 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.6 | -38.7 | 173.5 | -70 | -176.9 | 156.1 | 0 | 0 | 111.2 | I1292 F1298 K1299 H1651 | I1292-E1296 HydrophobicContact CG2-CG 4.5Å; I1292-E1296 PolarHBondContact O-N 3.22Å; E1296-F1298 PolarHBondContact O-N 3.39Å; E1296-K1299 PolarHBondContact O-N 3.15Å; E1296-H1651 IonicContact OE1-CE1 3.53Å; E1296-H1651 PolarHBondContact OE1-CE1 3.32Å; E1296-H1651 IonicContact OE1-ND1 3.67Å; E1296-H1651 PolarHBondContact OE1-ND1 3.29Å |
| 1297 | Y | 57.3 | Low | 68.6 | Low | 76 Ų | 76 | 68.2 Ų | 68.2 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.8 | 175.1 | -179.4 | -109.7 | 0 | 0 | 0 | 114.8 | V719 Y723 G1293 L1295 | V719-Y1297 HydrophobicContact CG1-CE1 4.35Å; V719-Y1297 HydrophobicContact CG1-CE2 4.14Å; V719-Y1297 HydrophobicContact CG2-CE1 4.33Å; V719-Y1297 PolarHBondContact O-OH 3.46Å; V719-Y1297 VanDerWaalsContact O-OH 3.11Å; Y723-Y1297 HydrophobicContact CD2-CE2 4.12Å; Y723-Y1297 HydrophobicContact CE2-CE2 4.14Å; G1293-Y1297 WeakPolarHBondContact O-CB 3.39Å; G1293-Y1297 PolarHBondContact O-N 3Å; L1295-Y1297 PolarHBondContact O-N 2.99Å |
| 1298 | F | 56.5 | Low | 68.6 | Low | 95 Ų | 95 | 68.4 Ų | 68.4 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -12.6 | 178.9 | -87.4 | -119.3 | 0 | 0 | 0 | 114 | F1294 L1295 E1296 | F1294-F1298 HydrophobicContact CD1-CD2 4.33Å; F1294-F1298 HydrophobicContact CD1-CE2 4.15Å; F1294-F1298 HydrophobicContact CD2-CE2 4.36Å; F1294-F1298 HydrophobicContact CE1-CD2 4.09Å; F1294-F1298 HydrophobicContact CE1-CE1 4.48Å; F1294-F1298 AromaticContact CE1-CE2 3.57Å; F1294-F1298 HydrophobicContact CE1-CE2 3.57Å; F1294-F1298 AromaticContact CE1-CZ 3.79Å; F1294-F1298 HydrophobicContact CE1-CZ 3.79Å; F1294-F1298 AromaticContact CE2-CE2 3.83Å; F1294-F1298 HydrophobicContact CE2-CE2 3.83Å; F1294-F1298 HydrophobicContact CE2-CZ 4.29Å; F1294-F1298 HydrophobicContact CZ-CD2 4.33Å; F1294-F1298 AromaticContact CZ-CE2 3.4Å; F1294-F1298 HydrophobicContact CZ-CE2 3.4Å; F1294-F1298 AromaticContact CZ-CZ 3.52Å; F1294-F1298 HydrophobicContact CZ-CZ 3.52Å; F1294-F1298 WeakPolarHBondContact O-CD2 3.22Å; L1295-F1298 PolarHBondContact O-N 2.95Å; E1296-F1298 PolarHBondContact O-N 3.39Å |
| 1299 | K | 53.5 | Low | 68.6 | Low | 137 Ų | 137 | 68.3 Ų | 68.3 | 60% | 0.596 | 35% | 0.347 | S | S | * | . | trans | -73.2 | 121.2 | -173.2 | -163.4 | 166.3 | -169.9 | 167.4 | 0 | 111.3 | L1295 E1296 | L1295-K1299 PolarHBondContact O-N 3.07Å; E1296-K1299 PolarHBondContact O-N 3.15Å | ||
| 1300 | P | 50.9 | Low | 68.4 | Low | 76 Ų | 76 | 64.1 Ų | 64.1 | 49% | 0.494 | 33% | 0.325 | S | S | . | . | trans | -71.2 | 154.9 | 179.6 | 29.9 | -34.8 | 0 | 0 | 0 | 111.9 | N1302 | P1300-N1302 PolarHBondContact O-N 2.83Å; P1300-N1302 PolarHBondContact O-OD1 3.16Å | ||
| 1301 | I | 52.4 | Low | 68.6 | Low | 107 Ų | 107 | 60 Ų | 60 | 55% | 0.549 | 30% | 0.304 | S | S | . | . | trans | -84.1 | 111.3 | 173.9 | -59.4 | 173.6 | 0 | 0 | 0 | 108.3 | I1303 | I1301-I1303 HydrophobicContact CG2-CB 4.32Å; I1301-I1303 PolarHBondContact O-N 2.05Å; I1301-I1303 VanDerWaalsContact O-N 3.14Å | ||
| 1302 | N | 53.7 | Low | 68.5 | Low | 133 Ų | 133 | 60.4 Ų | 60.4 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | trans | -73.5 | 0.3 | -173.6 | -71.1 | -1.1 | 0 | 0 | 0 | 114.9 | P1300 | P1300-N1302 PolarHBondContact O-N 2.83Å; P1300-N1302 PolarHBondContact O-OD1 3.16Å | ||
| 1303 | I | 60.2 | Low | 68.3 | Low | 126 Ų | 126 | 61.1 Ų | 61.1 | 65% | 0.646 | 31% | 0.309 | S | S | * | . | trans | -93.6 | 118.6 | -176.3 | -55.4 | 174 | 0 | 0 | 0 | 109.6 | N509 I1301 P1305 | N509-I1303 VanDerWaalsContact CB-O 3.27Å; N509-I1303 WeakPolarHBondContact CB-O 3.37Å; I1301-I1303 HydrophobicContact CG2-CB 4.32Å; I1301-I1303 PolarHBondContact O-N 2.05Å; I1301-I1303 VanDerWaalsContact O-N 3.14Å; I1303-P1305 VanDerWaalsContact O-CD 3.28Å; I1303-P1305 WeakPolarHBondContact O-CD 3.18Å | ||
| 1304 | Q | 69 | Low | 68.5 | Low | 28 Ų | 28 | 59.8 Ų | 59.8 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | trans | -102.7 | 95.2 | 173.4 | -71.4 | -177.8 | -14.2 | 0 | 0 | 109.9 | E507 N509 P1562 Y1565 | E507-Q1304 VanDerWaalsContact CD-NE2 3.34Å; E507-Q1304 PolarHBondContact OE2-NE2 3.28Å; N509-Q1304 HydrophobicContact CB-CG 4.16Å; Q1304-P1562 HydrophobicContact CB-CG 3.97Å; Q1304-P1562 HydrophobicContact CG-CG 4.49Å; Q1304-Y1565 PolarHBondContact NE2-OH 2.88Å | ||
| 1305 | P | 73 | Confident | 68.4 | Low | 53 Ų | 53 | 59.3 Ų | 59.3 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | trans | -70.4 | 166.1 | -179.3 | 31.1 | -36.6 | 0 | 0 | 0 | 112.1 | T508 I1303 | T508-P1305 WeakPolarHBondContact CB-O 3.16Å; T508-P1305 PolarHBondContact OG1-O 3.2Å; I1303-P1305 VanDerWaalsContact O-CD 3.28Å; I1303-P1305 WeakPolarHBondContact O-CD 3.18Å | ||
| 1306 | K | 78.6 | Confident | 67.9 | Low | 115 Ų | 115 | 60.6 Ų | 60.6 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | trans | -66.7 | 143.7 | 163.3 | 67.5 | 170.8 | -172.5 | 165.6 | 0 | 110.3 | T497 H1561 | T497-K1306 HydrophobicContact CG2-CB 4.3Å; T497-K1306 HydrophobicContact CG2-CD 4.19Å; K1306-H1561 HydrophobicContact CB-CB 4.02Å | ||
| 1307 | M | 82.6 | Confident | 67.3 | Low | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 119.2 | 177.2 | -179.7 | 178.3 | 69.1 | 0 | 0 | 109.7 | T508 I1313 I1507 A1559 T1560 | T508-M1307 HydrophobicContact CG2-CB 3.82Å; T508-M1307 HydrophobicContact CG2-CE 4.28Å; M1307-I1313 HydrophobicContact CG-CD1 4.24Å; M1307-I1507 HydrophobicContact CE-CD1 3.52Å; M1307-I1507 HydrophobicContact CE-CG1 4.24Å; M1307-I1507 HydrophobicContact SD-CD1 4.08Å; M1307-A1559 CarbonylContact O-C 3.6Å; M1307-A1559 VanDerWaalsContact O-CA 3.31Å; M1307-A1559 WeakPolarHBondContact O-CA 3.27Å; M1307-T1560 HydrophobicContact CB-CG2 3.99Å; M1307-T1560 HydrophobicContact CE-CG2 3.59Å; M1307-T1560 PolarHBondContact N-O 2.91Å; M1307-T1560 WeakPolarHBondContact O-CG2 3.23Å; M1307-T1560 PolarHBondContact O-N 3.36Å |
| 1308 | D | 83 | Confident | 66.8 | Low | 34 Ų | 34 | 61.5 Ų | 61.5 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 151.4 | 175.7 | -55.3 | -23.5 | 0 | 0 | 0 | 110.7 | I1313 Y1369 I1557 A1559 | D1308-I1313 WeakPolarHBondContact O-CD1 3.31Å; D1308-Y1369 VanDerWaalsContact CB-OH 3.22Å; D1308-Y1369 WeakPolarHBondContact CB-OH 3.47Å; D1308-Y1369 WeakPolarHBondContact OD2-CE2 3.22Å; D1308-Y1369 PolarHBondContact OD2-OH 3.31Å; D1308-I1557 HydrophobicContact CB-CG2 4.09Å; D1308-A1559 HydrophobicContact CB-CB 4.48Å; D1308-A1559 WeakPolarHBondContact OD1-CB 3.48Å |
| 1309 | I | 83.6 | Confident | 66.7 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -115.3 | 106.1 | -168.9 | -59.3 | 177.8 | 0 | 0 | 0 | 110.8 | F539 I1507 V1510 A1511 N1514 V1558 T1560 | F539-I1309 HydrophobicContact CE1-CD1 3.87Å; F539-I1309 HydrophobicContact CZ-CD1 3.59Å; I1309-I1507 HydrophobicContact CG2-CG2 3.67Å; I1309-V1510 HydrophobicContact CD1-CG1 3.8Å; I1309-V1510 HydrophobicContact CG2-CB 3.85Å; I1309-V1510 HydrophobicContact CG2-CG1 3.72Å; I1309-A1511 HydrophobicContact CG2-CB 4.22Å; I1309-N1514 PolarHBondContact O-ND2 2.85Å; I1309-V1558 WeakPolarHBondContact CB-O 3.24Å; I1309-V1558 HydrophobicContact CD1-CG1 4.24Å; I1309-V1558 PolarHBondContact N-O 2.89Å; I1309-T1560 HydrophobicContact CD1-CG2 4.09Å; I1309-T1560 HydrophobicContact CG1-CG2 4.21Å | ||
| 1310 | H | 80.8 | Confident | 66.5 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.032 | 32% | 0.316 | C | S | . | . | trans | -156.9 | 157 | -176.9 | 54.3 | -123.5 | 0 | 0 | 0 | 110.7 | W1312 I1313 I1361 Y1369 F1371 | H1310-W1312 VanDerWaalsContact C-N 3.33Å; H1310-W1312 AromaticContact CD2-CD1 3.43Å; H1310-W1312 VanDerWaalsContact CD2-CD1 3.43Å; H1310-W1312 AromaticContact CD2-CG 3.94Å; H1310-W1312 AromaticContact CG-CD1 3.62Å; H1310-W1312 PolarHBondContact O-N 2.74Å; H1310-I1313 WeakPolarHBondContact NE2-CD1 3.18Å; H1310-I1313 WeakPolarHBondContact NE2-CG1 3.23Å; H1310-I1313 PolarHBondContact O-N 2.72Å; H1310-I1361 HydrophobicContact CB-CD1 4.09Å; H1310-Y1369 PolarHBondContact CE1-OH 2.65Å; H1310-Y1369 PolarHBondContact ND1-OH 3.03Å; H1310-F1371 AromaticContact CE1-CD1 3.72Å; H1310-F1371 AromaticContact NE2-CD1 3.42Å; H1310-F1371 WeakPolarHBondContact NE2-CD1 3.41Å; H1310-F1371 AromaticContact NE2-CE1 3.46Å; H1310-F1371 WeakPolarHBondContact NE2-CE1 3.33Å | ||
| 1311 | H | 79.4 | Confident | 66.8 | Low | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -70.3 | -27 | -172.3 | 59.5 | -97 | 0 | 0 | 0 | 113.8 | I1313 M1314 F1323 H1325 | H1311-I1313 PolarHBondContact O-N 2.82Å; H1311-M1314 HydrophobicContact CB-SD 4.49Å; H1311-M1314 WeakPolarHBondContact O-CB 3.45Å; H1311-M1314 PolarHBondContact O-N 2.84Å; H1311-F1323 AromaticContact CD2-CD2 3.94Å; H1311-F1323 AromaticContact CD2-CE2 3.9Å; H1311-F1323 VanDerWaalsContact O-CZ 3.27Å; H1311-F1323 WeakPolarHBondContact O-CZ 3.28Å; H1311-H1325 AromaticContact CD2-CE1 3.98Å |
| 1312 | W | 74.4 | Confident | 67.3 | Low | 9 Ų | 9 | 56.3 Ų | 56.3 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -50.6 | -29.3 | 176.2 | -39.6 | 100 | 0 | 0 | 0 | 114.6 | H1310 M1314 K1315 T1359 F1371 P1373 T1414 D1416 | H1310-W1312 VanDerWaalsContact C-N 3.33Å; H1310-W1312 AromaticContact CD2-CD1 3.43Å; H1310-W1312 VanDerWaalsContact CD2-CD1 3.43Å; H1310-W1312 AromaticContact CD2-CG 3.94Å; H1310-W1312 AromaticContact CG-CD1 3.62Å; H1310-W1312 PolarHBondContact O-N 2.74Å; W1312-M1314 PolarHBondContact O-N 2.89Å; W1312-K1315 WeakPolarHBondContact O-CB 3.35Å; W1312-K1315 PolarHBondContact O-N 3.4Å; W1312-T1359 WeakPolarHBondContact CZ2-O 3.15Å; W1312-F1371 HydrophobicContact CB-CE1 4.03Å; W1312-P1373 HydrophobicContact CD2-CG 3.95Å; W1312-P1373 HydrophobicContact CE3-CB 4.46Å; W1312-P1373 HydrophobicContact CE3-CG 3.43Å; W1312-P1373 VanDerWaalsContact CE3-CG 3.43Å; W1312-P1373 HydrophobicContact CG-CG 4.42Å; W1312-P1373 HydrophobicContact CZ3-CG 3.99Å; W1312-T1414 HydrophobicContact CH2-CG2 3.6Å; W1312-T1414 WeakPolarHBondContact CH2-OG1 3.21Å; W1312-T1414 HydrophobicContact CZ2-CG2 4.5Å; W1312-T1414 HydrophobicContact CZ3-CG2 4.03Å; W1312-D1416 WeakPolarHBondContact CZ3-OD2 3.32Å |
| 1313 | I | 73.4 | Confident | 68.4 | Low | 26 Ų | 26 | 50.3 Ų | 50.3 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -60.7 | -24.2 | 179.6 | -103.5 | 160.1 | 0 | 0 | 0 | 112.1 | I515 M1307 D1308 H1310 H1311 K1315 I1507 | I515-I1313 HydrophobicContact CB-CG2 4.38Å; I515-I1313 HydrophobicContact CD1-CG2 3.69Å; I515-I1313 HydrophobicContact CG1-CG2 3.67Å; I515-I1313 HydrophobicContact CG2-CG2 3.73Å; M1307-I1313 HydrophobicContact CG-CD1 4.24Å; D1308-I1313 WeakPolarHBondContact O-CD1 3.31Å; H1310-I1313 WeakPolarHBondContact NE2-CD1 3.18Å; H1310-I1313 WeakPolarHBondContact NE2-CG1 3.23Å; H1310-I1313 PolarHBondContact O-N 2.72Å; H1311-I1313 PolarHBondContact O-N 2.82Å; I1313-K1315 VanDerWaalsContact C-N 3.33Å; I1313-I1507 HydrophobicContact CG2-CD1 3.86Å |
| 1314 | M | 73.6 | Confident | 69.3 | Low | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -82.6 | -6.5 | 175.9 | -56.2 | 146.5 | -152.6 | 0 | 0 | 113.4 | I515 H1311 W1312 T1316 F1323 Y1442 I1507 T1508 A1511 | I515-M1314 HydrophobicContact CG2-CG 4.26Å; H1311-M1314 HydrophobicContact CB-SD 4.49Å; H1311-M1314 WeakPolarHBondContact O-CB 3.45Å; H1311-M1314 PolarHBondContact O-N 2.84Å; W1312-M1314 PolarHBondContact O-N 2.89Å; M1314-T1316 PolarHBondContact O-N 3.16Å; M1314-T1316 VanDerWaalsContact O-N 3.16Å; M1314-F1323 HydrophobicContact CB-CE1 3.92Å; M1314-F1323 HydrophobicContact CB-CZ 3.97Å; M1314-Y1442 HydrophobicContact CB-CD2 4.41Å; M1314-Y1442 HydrophobicContact CB-CE2 4.21Å; M1314-Y1442 HydrophobicContact SD-CD1 4.27Å; M1314-Y1442 HydrophobicContact SD-CG 4.15Å; M1314-I1507 HydrophobicContact CE-CB 4.47Å; M1314-T1508 HydrophobicContact CE-CG2 3.6Å; M1314-T1508 HydrophobicContact SD-CG2 3.53Å; M1314-T1508 VanDerWaalsContact SD-CG2 3.53Å; M1314-A1511 HydrophobicContact CE-CB 3.7Å |
| 1315 | K | 65.7 | Low | 70.1 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | trans | -77.1 | 105.7 | -169.3 | -158.6 | 160.5 | -174.4 | 160.7 | 0 | 109.4 | W1312 I1313 F1323 D1416 | W1312-K1315 WeakPolarHBondContact O-CB 3.35Å; W1312-K1315 PolarHBondContact O-N 3.4Å; I1313-K1315 VanDerWaalsContact C-N 3.33Å; K1315-F1323 HydrophobicContact CB-CE1 4.4Å; K1315-F1323 HydrophobicContact CB-CE2 3.78Å; K1315-F1323 HydrophobicContact CB-CZ 3.52Å; K1315-F1323 HydrophobicContact CD-CD2 4.27Å; K1315-F1323 HydrophobicContact CD-CE2 3.8Å; K1315-F1323 HydrophobicContact CD-CZ 4.37Å; K1315-F1323 HydrophobicContact CG-CE2 4Å; K1315-F1323 HydrophobicContact CG-CZ 4.05Å; K1315-D1416 IonicContact NZ-OD1 3.53Å; K1315-D1416 PolarHBondContact NZ-OD1 3.31Å; K1315-D1416 IonicContact NZ-OD2 2.72Å | ||
| 1316 | T | 58.7 | Low | 70.7 | Confident | 45 Ų | 45 | 41 Ų | 41 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | trans | -65.2 | 152.5 | 178.8 | 70.2 | 0 | 0 | 0 | 0 | 111.1 | R516 M1314 H1318 T1319 | R516-T1316 VanDerWaalsContact NH1-CG2 3.34Å; M1314-T1316 PolarHBondContact O-N 3.16Å; M1314-T1316 VanDerWaalsContact O-N 3.16Å; T1316-H1318 PolarHBondContact O-N 3.07Å; T1316-H1318 PolarHBondContact OG1-N 3.15Å; T1316-T1319 PolarHBondContact N-OG1 3.28Å; T1316-T1319 PolarHBondContact O-N 2.78Å; T1316-T1319 PolarHBondContact O-OG1 2.88Å; T1316-T1319 PolarHBondContact OG1-N 2.89Å; T1316-T1319 VanDerWaalsContact OG1-N 3.12Å; T1316-T1319 PolarHBondContact OG1-OG1 2.84Å | ||
| 1317 | T | 52.7 | Low | 71.1 | Confident | 129 Ų | 129 | 35.9 Ų | 35.9 | 79% | 0.791 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -9.3 | 170.5 | 49.6 | 0 | 0 | 0 | 0 | 114 | ||
| 1318 | H | 48.2 | Very low | 71.2 | Confident | 86 Ų | 86 | 35.1 Ų | 35.1 | 40% | 0.398 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -17.8 | -176.8 | -58 | -62.1 | 0 | 0 | 0 | 113.9 | N770 T1316 R1320 | N770-H1318 PolarHBondContact ND2-CD2 3.29Å; N770-H1318 VanDerWaalsContact ND2-CD2 3.33Å; N770-H1318 PolarHBondContact ND2-CE1 2.92Å; N770-H1318 PolarHBondContact ND2-NE2 3.01Å; N770-H1318 VanDerWaalsContact ND2-NE2 3.11Å; N770-H1318 PolarHBondContact OD1-CD2 3.02Å; T1316-H1318 PolarHBondContact O-N 3.07Å; T1316-H1318 PolarHBondContact OG1-N 3.15Å; H1318-R1320 PolarHBondContact O-N 3.31Å; H1318-R1320 VanDerWaalsContact O-N 3.09Å |
| 1319 | T | 52.3 | Low | 70.9 | Confident | 37 Ų | 37 | 34 Ų | 34 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | trans | -77 | 89.2 | 170.2 | 34.1 | 0 | 0 | 0 | 0 | 109.4 | T1316 N1321 | T1316-T1319 PolarHBondContact N-OG1 3.28Å; T1316-T1319 PolarHBondContact O-N 2.78Å; T1316-T1319 PolarHBondContact O-OG1 2.88Å; T1316-T1319 PolarHBondContact OG1-N 2.89Å; T1316-T1319 VanDerWaalsContact OG1-N 3.12Å; T1316-T1319 PolarHBondContact OG1-OG1 2.84Å; T1319-N1321 CarbonylContact C-O 3.57Å | ||
| 1320 | R | 50.7 | Low | 70 | Confident | 215 Ų | 215 | 37.3 Ų | 37.3 | 81% | 0.811 | 18% | 0.184 | S | C | * | . | trans | -63.9 | -47.1 | 170.2 | -76.6 | -171.5 | 178.1 | -172.7 | 0.4 | 111 | H1318 | H1318-R1320 PolarHBondContact O-N 3.31Å; H1318-R1320 VanDerWaalsContact O-N 3.09Å | ||
| 1321 | N | 56 | Low | 68.9 | Low | 52 Ų | 52 | 41.1 Ų | 41.1 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -67.5 | 148.7 | 169 | -50.1 | 21.1 | 0 | 0 | 0 | 108.1 | T1319 | T1319-N1321 CarbonylContact C-O 3.57Š|
| 1322 | G | 64 | Low | 67.6 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | trans | -70.2 | -174.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1415 D1416 | G1322-N1415 WeakPolarHBondContact CA-O 3.21Å; G1322-N1415 PolarHBondContact N-O 2.89Å; G1322-D1416 WeakPolarHBondContact CA-OD1 3.19Å | ||
| 1323 | F | 75.6 | Confident | 66.5 | Low | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | trans | -62.8 | 155.1 | 173.1 | -65.4 | -75.3 | 0 | 0 | 0 | 111.1 | H1311 M1314 K1315 D1416 I1417 S1440 Y1442 | H1311-F1323 AromaticContact CD2-CD2 3.94Å; H1311-F1323 AromaticContact CD2-CE2 3.9Å; H1311-F1323 VanDerWaalsContact O-CZ 3.27Å; H1311-F1323 WeakPolarHBondContact O-CZ 3.28Å; M1314-F1323 HydrophobicContact CB-CE1 3.92Å; M1314-F1323 HydrophobicContact CB-CZ 3.97Å; K1315-F1323 HydrophobicContact CB-CE1 4.4Å; K1315-F1323 HydrophobicContact CB-CE2 3.78Å; K1315-F1323 HydrophobicContact CB-CZ 3.52Å; K1315-F1323 HydrophobicContact CD-CD2 4.27Å; K1315-F1323 HydrophobicContact CD-CE2 3.8Å; K1315-F1323 HydrophobicContact CD-CZ 4.37Å; K1315-F1323 HydrophobicContact CG-CE2 4Å; K1315-F1323 HydrophobicContact CG-CZ 4.05Å; F1323-D1416 HydrophobicContact CB-CB 4.4Å; F1323-D1416 WeakPolarHBondContact CD2-OD1 3.08Å; F1323-D1416 PolarHBondContact N-OD1 2.87Å; F1323-I1417 PolarHBondContact O-N 3.49Å; F1323-S1440 WeakPolarHBondContact CA-O 3.23Å; F1323-Y1442 AromaticContact CD1-CD2 3.93Å; F1323-Y1442 HydrophobicContact CD1-CD2 3.93Å; F1323-Y1442 HydrophobicContact CD1-CE2 4.41Å; F1323-Y1442 AromaticContact CE1-CD2 3.84Å; F1323-Y1442 HydrophobicContact CE1-CD2 3.84Å; F1323-Y1442 HydrophobicContact CE1-CE2 4.06Å | ||
| 1324 | V | 79.8 | Confident | 65.4 | Low | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 108.2 | 165 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | Y1401 I1417 L1419 S1440 M1441 | V1324-Y1401 HydrophobicContact CG2-CD1 4.17Å; V1324-Y1401 HydrophobicContact CG2-CE1 4.01Å; V1324-Y1401 HydrophobicContact CG2-CE2 4.38Å; V1324-Y1401 HydrophobicContact CG2-CG 4.45Å; V1324-I1417 CarbonylContact C-O 3.55Å; V1324-I1417 WeakPolarHBondContact CA-O 3.33Å; V1324-I1417 HydrophobicContact CG2-CB 4.37Å; V1324-L1419 HydrophobicContact CG1-CD1 3.53Å; V1324-L1419 HydrophobicContact CG1-CG 3.82Å; V1324-S1440 WeakPolarHBondContact CG2-OG 3.18Å; V1324-S1440 PolarHBondContact N-O 2.96Å; V1324-M1441 HydrophobicContact CB-CB 4.46Å; V1324-M1441 HydrophobicContact CB-CE 4.41Å; V1324-M1441 HydrophobicContact CG1-CE 3.67Å; V1324-M1441 WeakPolarHBondContact O-CA 3.38Å; V1324-M1441 WeakPolarHBondContact O-CB 3.27Å; V1324-M1441 WeakPolarHBondContact O-CG 3.43Å |
| 1325 | H | 85.3 | Confident | 64.3 | Low | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 163.2 | 168.4 | -58.2 | -71.1 | 0 | 0 | 0 | 109.5 | H1311 I1417 L1418 L1419 Y1512 | H1311-H1325 AromaticContact CD2-CE1 3.98Å; H1325-I1417 PolarHBondContact N-O 3.07Å; H1325-L1418 HydrophobicContact CB-CD1 3.95Å; H1325-L1419 PolarHBondContact O-N 3.34Å; H1325-Y1512 PolarHBondContact CE1-OH 3.44Å; H1325-Y1512 VanDerWaalsContact CE1-OH 3.3Å; H1325-Y1512 AromaticContact ND1-CE1 3.71Å; H1325-Y1512 AromaticContact ND1-CZ 3.69Å; H1325-Y1512 PolarHBondContact ND1-OH 3.35Å |
| 1326 | F | 87.1 | Confident | 63.3 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.6 | 168.5 | 72.4 | -92.1 | 0 | 0 | 0 | 112 | F578 T1328 L1419 L1421 I1426 L1430 M1441 G1444 I1445 W1500 | F578-F1326 HydrophobicContact CE1-CE1 4.12Å; F578-F1326 AromaticContact CZ-CE1 3.99Å; F578-F1326 HydrophobicContact CZ-CE1 3.99Å; F1326-T1328 HydrophobicContact CD2-CG2 4.09Å; F1326-T1328 HydrophobicContact CE2-CG2 4.33Å; F1326-L1419 CarbonylContact C-O 3.51Å; F1326-L1419 WeakPolarHBondContact CA-O 3.42Å; F1326-L1419 HydrophobicContact CB-CB 4.23Å; F1326-L1421 HydrophobicContact CB-CD1 3.75Å; F1326-L1421 HydrophobicContact CB-CG 4.24Å; F1326-L1421 HydrophobicContact CD2-CD1 4.12Å; F1326-L1421 HydrophobicContact CG-CD1 3.93Å; F1326-I1426 HydrophobicContact CE2-CD1 4.35Å; F1326-I1426 HydrophobicContact CE2-CG2 3.86Å; F1326-I1426 HydrophobicContact CZ-CG2 3.8Å; F1326-L1430 HydrophobicContact CE1-CD2 4.29Å; F1326-M1441 HydrophobicContact CB-CE 4.35Å; F1326-M1441 HydrophobicContact CD1-CE 3.76Å; F1326-M1441 HydrophobicContact CD1-SD 3.71Å; F1326-M1441 HydrophobicContact CE1-SD 4Å; F1326-M1441 HydrophobicContact CG-CE 4.49Å; F1326-G1444 CarbonylContact O-C 3.6Å; F1326-G1444 WeakPolarHBondContact O-CA 3.48Å; F1326-I1445 PolarHBondContact O-N 3.41Å; F1326-W1500 HydrophobicContact CE1-CB 4.38Å; F1326-W1500 HydrophobicContact CE2-CG 4.43Å; F1326-W1500 HydrophobicContact CZ-CB 3.7Å; F1326-W1500 AromaticContact CZ-CG 3.85Å; F1326-W1500 HydrophobicContact CZ-CG 3.85Å |
| 1327 | Y | 86.4 | Confident | 62.9 | Low | 8 Ų | 8 | 65.1 Ų | 65.1 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 154.4 | 164 | 76.6 | -80.7 | 0 | 0 | 0 | 110.9 | L1349 I1352 Y1410 L1418 L1419 N1420 L1421 I1445 | Y1327-L1349 HydrophobicContact CD2-CD2 4.14Å; Y1327-L1349 HydrophobicContact CE2-CD2 3.58Å; Y1327-I1352 HydrophobicContact CD1-CG2 3.82Å; Y1327-I1352 HydrophobicContact CD2-CG2 4.32Å; Y1327-I1352 HydrophobicContact CE1-CG2 3.92Å; Y1327-I1352 HydrophobicContact CE2-CG2 4.43Å; Y1327-I1352 HydrophobicContact CG-CG2 4.01Å; Y1327-Y1410 HydrophobicContact CE1-CD2 4.47Å; Y1327-Y1410 HydrophobicContact CE1-CE2 4.33Å; Y1327-L1418 HydrophobicContact CD1-CD1 3.9Å; Y1327-L1418 HydrophobicContact CD1-CD2 3.8Å; Y1327-L1418 HydrophobicContact CD1-CG 3.78Å; Y1327-L1418 HydrophobicContact CE1-CD2 3.93Å; Y1327-L1418 HydrophobicContact CE1-CG 4.13Å; Y1327-L1419 PolarHBondContact N-O 2.9Å; Y1327-N1420 HydrophobicContact CD1-CB 4.43Å; Y1327-N1420 HydrophobicContact CE1-CB 3.62Å; Y1327-N1420 HydrophobicContact CE2-CB 4.31Å; Y1327-N1420 VanDerWaalsContact CZ-CG 3.49Å; Y1327-N1420 WeakPolarHBondContact OH-CB 3.28Å; Y1327-N1420 PolarHBondContact OH-ND2 3.09Å; Y1327-L1421 PolarHBondContact O-N 3.33Å; Y1327-I1445 CarbonylContact C-O 3.56Å; Y1327-I1445 WeakPolarHBondContact CA-O 3.46Å |
| 1328 | T | 83.9 | Confident | 62.9 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.2 | 171.5 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | F1326 L1421 I1426 I1445 E1446 L1447 | F1326-T1328 HydrophobicContact CD2-CG2 4.09Å; F1326-T1328 HydrophobicContact CE2-CG2 4.33Å; T1328-L1421 VanDerWaalsContact CG2-C 3.48Å; T1328-L1421 HydrophobicContact CG2-CB 3.65Å; T1328-L1421 VanDerWaalsContact CG2-O 3.28Å; T1328-L1421 WeakPolarHBondContact CG2-O 3.39Å; T1328-I1426 HydrophobicContact CG2-CD1 3.61Å; T1328-I1426 HydrophobicContact CG2-CG1 3.82Å; T1328-I1426 WeakPolarHBondContact OG1-CD1 3.31Å; T1328-I1445 PolarHBondContact N-O 3.18Å; T1328-E1446 VanDerWaalsContact OG1-CA 3.31Å; T1328-E1446 WeakPolarHBondContact OG1-CA 3.41Å; T1328-E1446 VanDerWaalsContact OG1-CB 3.27Å; T1328-E1446 WeakPolarHBondContact OG1-CB 3.21Å; T1328-E1446 WeakPolarHBondContact OG1-CG 3.47Å; T1328-L1447 WeakPolarHBondContact O-CB 3.48Å; T1328-L1447 PolarHBondContact O-N 2.87Å |
| 1329 | T | 77.1 | Confident | 63.1 | Low | 10 Ų | 10 | 67.2 Ų | 67.2 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 147.4 | 161.3 | 57.2 | 0 | 0 | 0 | 0 | 108.8 | N1331 L1349 S1422 N1423 L1447 | T1329-N1331 WeakPolarHBondContact CB-OD1 3.31Å; T1329-N1331 PolarHBondContact OG1-OD1 3.27Å; T1329-L1349 HydrophobicContact CG2-CD1 4.31Å; T1329-L1349 HydrophobicContact CG2-CD2 3.91Å; T1329-L1349 HydrophobicContact CG2-CG 4.4Å; T1329-S1422 WeakPolarHBondContact O-CA 3.39Å; T1329-N1423 PolarHBondContact O-N 2.93Å; T1329-L1447 HydrophobicContact CG2-CB 4.13Å; T1329-L1447 HydrophobicContact CG2-CD1 3.99Å |
| 1330 | N | 65.7 | Low | 63.1 | Low | 71 Ų | 71 | 73.1 Ų | 73.1 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | trans | -98.6 | 88.4 | 168.9 | -76 | 5.4 | 0 | 0 | 0 | 108.8 | S1332 K1448 | N1330-S1332 PolarHBondContact O-N 3.2Å; N1330-K1448 PolarHBondContact ND2-NZ 2.8Å | ||
| 1331 | N | 56.2 | Low | 63.3 | Low | 87 Ų | 87 | 65.6 Ų | 65.6 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | trans | -80.2 | 4.7 | -174.9 | -74.6 | 20.3 | 0 | 0 | 0 | 114 | T1329 N1333 N1423 | T1329-N1331 WeakPolarHBondContact CB-OD1 3.31Å; T1329-N1331 PolarHBondContact OG1-OD1 3.27Å; N1331-N1333 VanDerWaalsContact C-N 3.34Å; N1331-N1333 PolarHBondContact O-N 3.29Å; N1331-N1423 PolarHBondContact N-OD1 3.16Å | ||
| 1332 | S | 52.8 | Low | 63.4 | Low | 95 Ų | 95 | 68.2 Ų | 68.2 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -71.7 | -15.9 | -160.4 | 56.1 | 0 | 0 | 0 | 0 | 116.8 | N1330 | N1330-S1332 PolarHBondContact O-N 3.2Š|
| 1333 | N | 51 | Low | 63.2 | Low | 78 Ų | 78 | 76.6 Ų | 76.6 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -122.8 | -10.9 | -169.1 | -61.5 | 29.8 | 0 | 0 | 0 | 115.5 | N1331 H1335 E1451 | N1331-N1333 VanDerWaalsContact C-N 3.34Å; N1331-N1333 PolarHBondContact O-N 3.29Å; N1333-H1335 PolarHBondContact O-CD2 3.39Å; N1333-H1335 VanDerWaalsContact O-CD2 3.28Å; N1333-H1335 PolarHBondContact O-N 3.27Å; N1333-E1451 WeakPolarHBondContact CB-OE1 3.42Å; N1333-E1451 PolarHBondContact ND2-OE2 2.86Å |
| 1334 | I | 51.6 | Low | 62.5 | Low | 64 Ų | 64 | 76.5 Ų | 76.5 | 33% | 0.328 | 39% | 0.388 | S | S | . | . | trans | -67.9 | 94.7 | -168.1 | -53.6 | 174 | 0 | 0 | 0 | 110.7 | ||||
| 1335 | H | 48.8 | Very low | 62 | Low | 156 Ų | 156 | 77.9 Ų | 77.9 | 72% | 0.722 | 40% | 0.395 | S | S | * | . | trans | -65.4 | 159.4 | 173.9 | -79.2 | -82 | 0 | 0 | 0 | 111.4 | N1333 G1337 | N1333-H1335 PolarHBondContact O-CD2 3.39Å; N1333-H1335 VanDerWaalsContact O-CD2 3.28Å; N1333-H1335 PolarHBondContact O-N 3.27Å; H1335-G1337 PolarHBondContact O-N 3.27Å | ||
| 1336 | E | 45.4 | Very low | 61.2 | Low | 189 Ų | 189 | 82 Ų | 82 | 88% | 0.883 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 12.5 | -164.3 | -59.9 | -176.9 | 119.7 | 0 | 0 | 115.4 | ||
| 1337 | G | 49.7 | Very low | 60.2 | Low | 71 Ų | 71 | 82.7 Ų | 82.7 | 73% | 0.732 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -9.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | H1335 | H1335-G1337 PolarHBondContact O-N 3.27Š|
| 1338 | E | 53.1 | Low | 59.6 | Low | 91 Ų | 91 | 82.6 Ų | 82.6 | 43% | 0.425 | 42% | 0.419 | S | S | . | . | trans | -113.5 | 67.4 | -166 | -63.9 | -179.3 | 153.7 | 0 | 0 | 113.1 | E1341 K1342 | E1338-E1341 HydrophobicContact CB-CB 4.35Å; E1338-E1341 HydrophobicContact CB-CG 4.45Å; E1338-K1342 WeakPolarHBondContact O-CB 3.36Å; E1338-K1342 PolarHBondContact O-N 3.01Å | ||
| 1339 | E | 52.7 | Low | 58.9 | Low | 167 Ų | 167 | 83.9 Ų | 83.9 | 78% | 0.78 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | -173.5 | -64 | -160.7 | 133.5 | 0 | 0 | 114.6 | E1341 K1342 Y1343 | E1339-E1341 PolarHBondContact O-N 3.25Å; E1339-K1342 WeakPolarHBondContact O-CB 3.31Å; E1339-K1342 PolarHBondContact O-N 2.97Å; E1339-Y1343 PolarHBondContact O-N 2.96Å; E1339-Y1343 VanDerWaalsContact O-N 3.1Å |
| 1340 | E | 52.6 | Low | 58.5 | Low | 162 Ų | 162 | 87.3 Ų | 87.3 | 76% | 0.757 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | -177.5 | -62 | -160.7 | 143.2 | 0 | 0 | 112.5 | Y1343 S1344 | E1340-Y1343 WeakPolarHBondContact O-CB 3.44Å; E1340-Y1343 PolarHBondContact O-N 3.1Å; E1340-S1344 PolarHBondContact O-N 3.06Å |
| 1341 | E | 55.3 | Low | 58.6 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 179.8 | -65.5 | -84.8 | 106.9 | 0 | 0 | 110.4 | E1338 E1339 Y1343 S1344 F1449 K1495 | E1338-E1341 HydrophobicContact CB-CB 4.35Å; E1338-E1341 HydrophobicContact CB-CG 4.45Å; E1339-E1341 PolarHBondContact O-N 3.25Å; E1341-Y1343 VanDerWaalsContact C-N 3.28Å; E1341-Y1343 PolarHBondContact O-N 2.04Å; E1341-S1344 PolarHBondContact O-N 2.99Å; E1341-S1344 PolarHBondContact O-OG 3.2Å; E1341-F1449 WeakPolarHBondContact OE2-CE2 3.33Å; E1341-K1495 WeakPolarHBondContact OE1-CE 3.32Å; E1341-K1495 IonicContact OE1-NZ 3.27Å; E1341-K1495 PolarHBondContact OE1-NZ 2.86Å; E1341-K1495 WeakPolarHBondContact OE2-CE 3.2Å |
| 1342 | K | 56.5 | Low | 59.3 | Low | 108 Ų | 108 | 80.8 Ų | 80.8 | 47% | 0.47 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.1 | -41.1 | 176.3 | -153.7 | 169.6 | -169.5 | 168.6 | 0 | 111.5 | E1338 E1339 S1344 Q1346 | E1338-K1342 WeakPolarHBondContact O-CB 3.36Å; E1338-K1342 PolarHBondContact O-N 3.01Å; E1339-K1342 WeakPolarHBondContact O-CB 3.31Å; E1339-K1342 PolarHBondContact O-N 2.97Å; K1342-S1344 VanDerWaalsContact C-N 3.28Å; K1342-S1344 PolarHBondContact O-N 2.83Å; K1342-Q1346 VanDerWaalsContact O-CB 3.23Å; K1342-Q1346 WeakPolarHBondContact O-CB 3.26Å; K1342-Q1346 PolarHBondContact O-N 3.36Å |
| 1343 | Y | 60.4 | Low | 59.9 | Low | 178 Ų | 178 | 79.5 Ų | 79.5 | 70% | 0.698 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.5 | -36.7 | 176.6 | -151.9 | -83.9 | 0 | 0 | 0 | 112.6 | E1339 E1340 E1341 Q1346 S1347 | E1339-Y1343 PolarHBondContact O-N 2.96Å; E1339-Y1343 VanDerWaalsContact O-N 3.1Å; E1340-Y1343 WeakPolarHBondContact O-CB 3.44Å; E1340-Y1343 PolarHBondContact O-N 3.1Å; E1341-Y1343 VanDerWaalsContact C-N 3.28Å; E1341-Y1343 PolarHBondContact O-N 2.04Å; Y1343-Q1346 PolarHBondContact O-N 3.16Å; Y1343-S1347 WeakPolarHBondContact O-CB 3.42Å; Y1343-S1347 PolarHBondContact O-N 2.87Å |
| 1344 | S | 62.1 | Low | 60.8 | Low | 5 Ų | 5 | 77 Ų | 77 | 4% | 0.035 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.1 | -52.2 | -176.4 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | Q566 E1340 E1341 K1342 S1347 Y1348 K1495 | Q566-S1344 VanDerWaalsContact O-CB 3.31Å; Q566-S1344 WeakPolarHBondContact O-CB 3.02Å; E1340-S1344 PolarHBondContact O-N 3.06Å; E1341-S1344 PolarHBondContact O-N 2.99Å; E1341-S1344 PolarHBondContact O-OG 3.2Å; K1342-S1344 VanDerWaalsContact C-N 3.28Å; K1342-S1344 PolarHBondContact O-N 2.83Å; S1344-S1347 PolarHBondContact O-N 3.01Å; S1344-S1347 PolarHBondContact O-OG 3.38Å; S1344-Y1348 PolarHBondContact O-N 2.86Å; S1344-K1495 PolarHBondContact OG-NZ 3.37Å |
| 1345 | F | 68 | Low | 61.3 | Low | 30 Ų | 30 | 76 Ų | 76 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.5 | -30.7 | 174.1 | -74.5 | -59 | 0 | 0 | 0 | 113 | S1347 Y1348 L1349 L1447 K1448 F1449 K1495 | F1345-S1347 VanDerWaalsContact C-N 3.29Å; F1345-S1347 PolarHBondContact O-N 2.92Å; F1345-Y1348 WeakPolarHBondContact O-CB 3.24Å; F1345-Y1348 PolarHBondContact O-N 2.58Å; F1345-L1349 WeakPolarHBondContact O-CG 3.37Å; F1345-L1349 PolarHBondContact O-N 3.42Å; F1345-L1447 HydrophobicContact CD1-CB 4.11Å; F1345-L1447 HydrophobicContact CD1-CD1 4.15Å; F1345-L1447 HydrophobicContact CD1-CD2 4.45Å; F1345-L1447 HydrophobicContact CD1-CG 4.47Å; F1345-L1447 HydrophobicContact CE1-CB 3.94Å; F1345-L1447 HydrophobicContact CE1-CD2 4.17Å; F1345-L1447 HydrophobicContact CE1-CG 4.46Å; F1345-K1448 WeakPolarHBondContact CZ-O 3.04Å; F1345-F1449 HydrophobicContact CE2-CB 4.44Å; F1345-K1495 HydrophobicContact CE2-CB 4.49Å; F1345-K1495 HydrophobicContact CE2-CG 4.37Å; F1345-K1495 HydrophobicContact CZ-CB 4.11Å; F1345-K1495 HydrophobicContact CZ-CG 4.46Å |
| 1346 | Q | 68.1 | Low | 62.2 | Low | 93 Ų | 93 | 68.8 Ų | 68.8 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 173.4 | -169.2 | 62.9 | 42.7 | 0 | 0 | 112 | K1342 Y1343 Y1348 L1349 N1350 | K1342-Q1346 VanDerWaalsContact O-CB 3.23Å; K1342-Q1346 WeakPolarHBondContact O-CB 3.26Å; K1342-Q1346 PolarHBondContact O-N 3.36Å; Y1343-Q1346 PolarHBondContact O-N 3.16Å; Q1346-Y1348 VanDerWaalsContact C-N 3.32Å; Q1346-Y1348 PolarHBondContact O-N 3.08Å; Q1346-L1349 PolarHBondContact O-N 2.91Å; Q1346-N1350 PolarHBondContact NE2-OD1 3.44Å; Q1346-N1350 WeakPolarHBondContact O-CB 3.4Å; Q1346-N1350 PolarHBondContact O-N 3.22Å; Q1346-N1350 PolarHBondContact O-OD1 2.99Å |
| 1347 | S | 67.8 | Low | 63.2 | Low | 17 Ų | 17 | 60.3 Ų | 60.3 | 12% | 0.119 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 173.8 | 81.2 | 0 | 0 | 0 | 0 | 112.2 | L567 Y1343 S1344 F1345 T1351 | L567-S1347 WeakPolarHBondContact CD2-OG 3.41Å; Y1343-S1347 WeakPolarHBondContact O-CB 3.42Å; Y1343-S1347 PolarHBondContact O-N 2.87Å; S1344-S1347 PolarHBondContact O-N 3.01Å; S1344-S1347 PolarHBondContact O-OG 3.38Å; F1345-S1347 VanDerWaalsContact C-N 3.29Å; F1345-S1347 PolarHBondContact O-N 2.92Å; S1347-T1351 PolarHBondContact O-N 3.33Å; S1347-T1351 PolarHBondContact O-OG1 3.02Å |
| 1348 | Y | 72.1 | Confident | 64.3 | Low | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 172.7 | -85.1 | -117.5 | 0 | 0 | 0 | 110.5 | L567 L568 S1344 F1345 Q1346 N1350 T1351 I1352 I1497 Y1519 Q1520 L1523 | L567-Y1348 WeakPolarHBondContact O-CE2 3.27Å; L567-Y1348 PolarHBondContact O-OH 3.47Å; L568-Y1348 WeakPolarHBondContact CD2-OH 3.49Å; S1344-Y1348 PolarHBondContact O-N 2.86Å; F1345-Y1348 WeakPolarHBondContact O-CB 3.24Å; F1345-Y1348 PolarHBondContact O-N 2.58Å; Q1346-Y1348 VanDerWaalsContact C-N 3.32Å; Q1346-Y1348 PolarHBondContact O-N 3.08Å; Y1348-N1350 PolarHBondContact O-N 3.33Å; Y1348-T1351 PolarHBondContact O-N 2.79Å; Y1348-T1351 PolarHBondContact O-OG1 2.91Å; Y1348-I1352 VanDerWaalsContact O-CB 3.32Å; Y1348-I1352 WeakPolarHBondContact O-CB 3.36Å; Y1348-I1352 VanDerWaalsContact O-CG1 3.26Å; Y1348-I1352 WeakPolarHBondContact O-CG1 3.5Å; Y1348-I1352 PolarHBondContact O-N 2.94Å; Y1348-I1497 HydrophobicContact CE1-CD1 3.88Å; Y1348-Y1519 VanDerWaalsContact CA-OH 3.28Å; Y1348-Y1519 WeakPolarHBondContact CA-OH 3.44Å; Y1348-Y1519 AromaticContact CD1-CE1 3.57Å; Y1348-Y1519 HydrophobicContact CD1-CE1 3.57Å; Y1348-Y1519 HydrophobicContact CE1-CD1 4.49Å; Y1348-Y1519 AromaticContact CE1-CE1 3.72Å; Y1348-Y1519 HydrophobicContact CE1-CE1 3.72Å; Y1348-Y1519 HydrophobicContact CG-CE1 4.33Å; Y1348-Y1519 PolarHBondContact O-OH 3.48Å; Y1348-Q1520 PolarHBondContact OH-NE2 3.08Å; Y1348-Q1520 VanDerWaalsContact OH-NE2 3.09Å; Y1348-L1523 HydrophobicContact CD2-CD1 3.93Å; Y1348-L1523 HydrophobicContact CE2-CD1 4.07Å; Y1348-L1523 HydrophobicContact CG-CD1 4.23Å |
| 1349 | L | 71.2 | Confident | 65.2 | Low | 26 Ų | 26 | 53.1 Ų | 53.1 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 178.6 | -71.1 | 170.4 | 0 | 0 | 0 | 112.6 | Y1327 T1329 F1345 Q1346 T1351 I1352 N1353 | Y1327-L1349 HydrophobicContact CD2-CD2 4.14Å; Y1327-L1349 HydrophobicContact CE2-CD2 3.58Å; T1329-L1349 HydrophobicContact CG2-CD1 4.31Å; T1329-L1349 HydrophobicContact CG2-CD2 3.91Å; T1329-L1349 HydrophobicContact CG2-CG 4.4Å; F1345-L1349 WeakPolarHBondContact O-CG 3.37Å; F1345-L1349 PolarHBondContact O-N 3.42Å; Q1346-L1349 PolarHBondContact O-N 2.91Å; L1349-T1351 VanDerWaalsContact C-N 3.26Å; L1349-T1351 PolarHBondContact O-N 2.69Å; L1349-I1352 PolarHBondContact O-N 3.5Å; L1349-N1353 VanDerWaalsContact O-CG 3.32Å; L1349-N1353 PolarHBondContact O-N 3.04Å; L1349-N1353 PolarHBondContact O-ND2 3.18Å |
| 1350 | N | 67.5 | Low | 66.3 | Low | 83 Ų | 83 | 45.4 Ų | 45.4 | 44% | 0.444 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -32.7 | 179 | -70.7 | -6.2 | 0 | 0 | 0 | 112.6 | Q1346 Y1348 | Q1346-N1350 PolarHBondContact NE2-OD1 3.44Å; Q1346-N1350 WeakPolarHBondContact O-CB 3.4Å; Q1346-N1350 PolarHBondContact O-N 3.22Å; Q1346-N1350 PolarHBondContact O-OD1 2.99Å; Y1348-N1350 PolarHBondContact O-N 3.33Å |
| 1351 | T | 67.9 | Low | 67.3 | Low | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -91.7 | -31.6 | 179.6 | 46.2 | 0 | 0 | 0 | 0 | 113.1 | S1347 Y1348 L1349 N1353 N1354 S1357 Y1519 M1548 | S1347-T1351 PolarHBondContact O-N 3.33Å; S1347-T1351 PolarHBondContact O-OG1 3.02Å; Y1348-T1351 PolarHBondContact O-N 2.79Å; Y1348-T1351 PolarHBondContact O-OG1 2.91Å; L1349-T1351 VanDerWaalsContact C-N 3.26Å; L1349-T1351 PolarHBondContact O-N 2.69Å; T1351-N1353 PolarHBondContact O-N 2.93Å; T1351-N1354 WeakPolarHBondContact O-CB 3.38Å; T1351-N1354 PolarHBondContact O-N 3.47Å; T1351-N1354 VanDerWaalsContact O-N 3.08Å; T1351-S1357 WeakPolarHBondContact O-CB 3.41Å; T1351-S1357 PolarHBondContact O-OG 3.47Å; T1351-Y1519 PolarHBondContact OG1-OH 3.05Å; T1351-M1548 HydrophobicContact CG2-CE 4.32Å; T1351-M1548 HydrophobicContact CG2-SD 3.94Å |
| 1352 | I | 70.7 | Confident | 68 | Low | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.7 | -41.3 | 169 | -78.8 | 167.8 | 0 | 0 | 0 | 111.1 | Y1327 Y1348 L1349 N1354 S1357 L1358 L1418 L1447 Y1519 | Y1327-I1352 HydrophobicContact CD1-CG2 3.82Å; Y1327-I1352 HydrophobicContact CD2-CG2 4.32Å; Y1327-I1352 HydrophobicContact CE1-CG2 3.92Å; Y1327-I1352 HydrophobicContact CE2-CG2 4.43Å; Y1327-I1352 HydrophobicContact CG-CG2 4.01Å; Y1348-I1352 VanDerWaalsContact O-CB 3.32Å; Y1348-I1352 WeakPolarHBondContact O-CB 3.36Å; Y1348-I1352 VanDerWaalsContact O-CG1 3.26Å; Y1348-I1352 WeakPolarHBondContact O-CG1 3.5Å; Y1348-I1352 PolarHBondContact O-N 2.94Å; L1349-I1352 PolarHBondContact O-N 3.5Å; I1352-N1354 PolarHBondContact O-N 3.07Å; I1352-S1357 PolarHBondContact O-OG 3.17Å; I1352-L1358 HydrophobicContact CG2-CD1 4.12Å; I1352-L1418 HydrophobicContact CG2-CD2 3.65Å; I1352-L1447 HydrophobicContact CD1-CD1 4.4Å; I1352-Y1519 HydrophobicContact CG1-CE2 3.77Å |
| 1353 | N | 66.7 | Low | 68.6 | Low | 68 Ų | 68 | 30.5 Ų | 30.5 | 36% | 0.364 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -7.5 | -180 | -67.8 | -11.2 | 0 | 0 | 0 | 114.3 | L1349 T1351 | L1349-N1353 VanDerWaalsContact O-CG 3.32Å; L1349-N1353 PolarHBondContact O-N 3.04Å; L1349-N1353 PolarHBondContact O-ND2 3.18Å; T1351-N1353 PolarHBondContact O-N 2.93Å |
| 1354 | N | 68 | Low | 69.1 | Low | 27 Ų | 27 | 22 Ų | 22 | 14% | 0.144 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -80.3 | 123.8 | 173.1 | 179.9 | -26 | 0 | 0 | 0 | 109.5 | T1351 I1352 F1356 S1357 | T1351-N1354 WeakPolarHBondContact O-CB 3.38Å; T1351-N1354 PolarHBondContact O-N 3.47Å; T1351-N1354 VanDerWaalsContact O-N 3.08Å; I1352-N1354 PolarHBondContact O-N 3.07Å; N1354-F1356 PolarHBondContact O-N 3.44Å; N1354-F1356 PolarHBondContact OD1-N 3.46Å; N1354-S1357 PolarHBondContact O-N 3.24Å; N1354-S1357 PolarHBondContact O-OG 3.34Å; N1354-S1357 VanDerWaalsContact O-OG 3.08Å |
| 1355 | P | 63.6 | Low | 69.3 | Low | 41 Ų | 41 | 23.6 Ų | 23.6 | 27% | 0.266 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -12.3 | -175.1 | 23.7 | -34.6 | 0 | 0 | 0 | 115 | T1359 A1413 | P1355-T1359 VanDerWaalsContact O-CG2 3.23Å; P1355-T1359 WeakPolarHBondContact O-CG2 3.43Å; P1355-A1413 HydrophobicContact CB-CB 4.48Å; P1355-A1413 PolarHBondContact O-N 2.96Å |
| 1356 | F | 66.9 | Low | 69 | Low | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -17.3 | 177.8 | -69.7 | -83.5 | 0 | 0 | 0 | 115.1 | N1354 T1359 Q1382 F1387 A1413 R1522 S1550 T1552 | N1354-F1356 PolarHBondContact O-N 3.44Å; N1354-F1356 PolarHBondContact OD1-N 3.46Å; F1356-T1359 WeakPolarHBondContact O-CG2 3.45Å; F1356-T1359 PolarHBondContact O-OG1 3.39Å; F1356-Q1382 HydrophobicContact CE1-CG 4.42Å; F1356-Q1382 VanDerWaalsContact CE1-OE1 3.29Å; F1356-Q1382 VanDerWaalsContact CE2-CD 3.47Å; F1356-Q1382 HydrophobicContact CE2-CG 4.37Å; F1356-Q1382 HydrophobicContact CZ-CG 3.81Å; F1356-Q1382 VanDerWaalsContact CZ-OE1 3.26Å; F1356-F1387 HydrophobicContact CE2-CD2 4.4Å; F1356-F1387 AromaticContact CE2-CE2 3.67Å; F1356-F1387 HydrophobicContact CE2-CE2 3.67Å; F1356-F1387 AromaticContact CE2-CZ 3.94Å; F1356-F1387 HydrophobicContact CE2-CZ 3.94Å; F1356-F1387 AromaticContact CZ-CE2 3.56Å; F1356-F1387 HydrophobicContact CZ-CE2 3.56Å; F1356-F1387 AromaticContact CZ-CZ 3.55Å; F1356-F1387 HydrophobicContact CZ-CZ 3.55Å; F1356-A1413 HydrophobicContact CD1-CB 3.87Å; F1356-A1413 HydrophobicContact CE1-CB 3.51Å; F1356-A1413 HydrophobicContact CE2-CB 4.18Å; F1356-A1413 HydrophobicContact CG-CB 4.37Å; F1356-A1413 HydrophobicContact CZ-CB 3.67Å; F1356-R1522 PolarHBondContact O-NH1 3.3Å; F1356-S1550 WeakPolarHBondContact CB-OG 3.22Å; F1356-T1552 HydrophobicContact CD1-CG2 3.7Å; F1356-T1552 HydrophobicContact CE1-CG2 4.29Å; F1356-T1552 HydrophobicContact CG-CG2 4.31Å |
| 1357 | S | 66.6 | Low | 68.8 | Low | 11 Ų | 11 | 25.4 Ų | 25.4 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -53.2 | -168.3 | 65.2 | 0 | 0 | 0 | 0 | 113 | T1351 I1352 N1354 T1359 | T1351-S1357 WeakPolarHBondContact O-CB 3.41Å; T1351-S1357 PolarHBondContact O-OG 3.47Å; I1352-S1357 PolarHBondContact O-OG 3.17Å; N1354-S1357 PolarHBondContact O-N 3.24Å; N1354-S1357 PolarHBondContact O-OG 3.34Å; N1354-S1357 VanDerWaalsContact O-OG 3.08Å; S1357-T1359 PolarHBondContact O-N 2.82Å |
| 1358 | L | 72.8 | Confident | 68.4 | Low | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2.9 | -177.4 | -77.7 | 159.3 | 0 | 0 | 0 | 114 | I1352 G1360 L1412 L1418 I1445 L1515 Y1519 | I1352-L1358 HydrophobicContact CG2-CD1 4.12Å; L1358-G1360 PolarHBondContact O-N 2.97Å; L1358-L1412 HydrophobicContact CB-CD1 3.8Å; L1358-L1412 HydrophobicContact CB-CD2 4.16Å; L1358-L1418 HydrophobicContact CD1-CD1 3.86Å; L1358-L1418 HydrophobicContact CD1-CD2 3.68Å; L1358-L1418 HydrophobicContact CD1-CG 4.37Å; L1358-I1445 HydrophobicContact CD2-CD1 4.42Å; L1358-L1515 HydrophobicContact CD2-CD2 3.61Å; L1358-L1515 HydrophobicContact CD2-CG 4.35Å; L1358-Y1519 HydrophobicContact CD2-CD2 4.29Å; L1358-Y1519 HydrophobicContact CG-CD2 4.25Å |
| 1359 | T | 71.4 | Confident | 68 | Low | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -70.4 | 10.9 | -179.8 | 67.9 | 0 | 0 | 0 | 0 | 114.7 | W1312 P1355 F1356 S1357 I1361 G1362 A1413 T1414 R1522 | W1312-T1359 WeakPolarHBondContact CZ2-O 3.15Å; P1355-T1359 VanDerWaalsContact O-CG2 3.23Å; P1355-T1359 WeakPolarHBondContact O-CG2 3.43Å; F1356-T1359 WeakPolarHBondContact O-CG2 3.45Å; F1356-T1359 PolarHBondContact O-OG1 3.39Å; S1357-T1359 PolarHBondContact O-N 2.82Å; T1359-I1361 PolarHBondContact O-N 2.94Å; T1359-I1361 VanDerWaalsContact O-N 3.12Å; T1359-G1362 WeakPolarHBondContact O-CA 3.48Å; T1359-G1362 PolarHBondContact O-N 3.49Å; T1359-A1413 HydrophobicContact CG2-CB 4.31Å; T1359-T1414 HydrophobicContact CG2-CG2 3.88Å; T1359-R1522 PolarHBondContact OG1-NH1 2.97Å | ||
| 1360 | G | 75.9 | Confident | 67.4 | Low | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.5 | -116.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1358 R1522 | L1358-G1360 PolarHBondContact O-N 2.97Å; G1360-R1522 PolarHBondContact O-NH1 3.49Å; G1360-R1522 VanDerWaalsContact O-NH1 3.12Å; G1360-R1522 PolarHBondContact O-NH2 3.22Å |
| 1361 | I | 74.6 | Confident | 66.9 | Low | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -8.7 | 174.6 | -68.9 | 155.7 | 0 | 0 | 0 | 112.7 | H1310 T1359 I1364 Y1369 I1557 | H1310-I1361 HydrophobicContact CB-CD1 4.09Å; T1359-I1361 PolarHBondContact O-N 2.94Å; T1359-I1361 VanDerWaalsContact O-N 3.12Å; I1361-I1364 HydrophobicContact CG2-CD1 4.28Å; I1361-I1364 WeakPolarHBondContact O-CB 3.48Å; I1361-I1364 PolarHBondContact O-N 3.41Å; I1361-I1364 VanDerWaalsContact O-N 3.15Å; I1361-Y1369 HydrophobicContact CG2-CD1 3.34Å; I1361-Y1369 HydrophobicContact CG2-CE1 3.41Å; I1361-Y1369 VanDerWaalsContact CG2-CE1 3.41Å; I1361-Y1369 HydrophobicContact CG2-CG 3.93Å; I1361-I1557 HydrophobicContact CD1-CB 4.49Å; I1361-I1557 HydrophobicContact CD1-CG1 3.99Å; I1361-I1557 HydrophobicContact CG1-CG1 4.32Å |
| 1362 | G | 68.8 | Low | 66.3 | Low | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -53.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T1359 I1364 I1375 | T1359-G1362 WeakPolarHBondContact O-CA 3.48Å; T1359-G1362 PolarHBondContact O-N 3.49Å; G1362-I1364 PolarHBondContact O-N 3.44Å; G1362-I1375 VanDerWaalsContact O-CD1 3.23Å; G1362-I1375 WeakPolarHBondContact O-CD1 3.41Å |
| 1363 | C | 70.3 | Confident | 65.6 | Low | 7 Ų | 7 | 41.1 Ų | 41.1 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 8.4 | 178.1 | -70.9 | 0 | 0 | 0 | 0 | 114.2 | C1379 | C1363-C1379 VanDerWaalsContact CA-SG 3.54Å; C1363-C1379 HydrophobicContact CB-CB 3.74Å; C1363-C1379 WeakPolarHBondContact CB-SG 3.44Å; C1363-C1379 WeakPolarHBondContact SG-CB 3.49Å; C1363-C1379 CovalentContact SG-SG 2.05Å; C1363-C1379 PolarHBondContact SG-SG 2.83Å |
| 1364 | I | 71 | Confident | 64.8 | Low | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -72.3 | 136.4 | 172.1 | -64.8 | 178.5 | 0 | 0 | 0 | 109 | I493 I1361 G1362 L1368 Q1372 | I493-I1364 HydrophobicContact CD1-CG2 3.98Å; I1361-I1364 HydrophobicContact CG2-CD1 4.28Å; I1361-I1364 WeakPolarHBondContact O-CB 3.48Å; I1361-I1364 PolarHBondContact O-N 3.41Å; I1361-I1364 VanDerWaalsContact O-N 3.15Å; G1362-I1364 PolarHBondContact O-N 3.44Å; I1364-L1368 HydrophobicContact CG2-CB 3.92Å; I1364-L1368 HydrophobicContact CG2-CD1 4.29Å; I1364-Q1372 PolarHBondContact O-NE2 3.45Å |
| 1365 | S | 65.9 | Low | 64.1 | Low | 39 Ų | 39 | 48.4 Ų | 48.4 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | trans | -56.1 | 140.1 | -178.6 | 177.4 | 0 | 0 | 0 | 0 | 113.1 | A1367 L1368 Y1369 | S1365-A1367 PolarHBondContact O-N 2.9Å; S1365-A1367 PolarHBondContact OG-N 3.49Å; S1365-L1368 WeakPolarHBondContact O-CA 3.49Å; S1365-L1368 WeakPolarHBondContact O-CB 3.35Å; S1365-L1368 PolarHBondContact O-N 3.26Å; S1365-Y1369 PolarHBondContact O-N 3.01Å | ||
| 1366 | S | 62.4 | Low | 63.5 | Low | 71 Ų | 71 | 50.2 Ų | 50.2 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21 | 177.7 | 40.7 | 0 | 0 | 0 | 0 | 114.2 | L1368 Y1369 Q1372 | S1366-L1368 PolarHBondContact O-N 3.33Å; S1366-Y1369 WeakPolarHBondContact CA-O 3.36Å; S1366-Q1372 PolarHBondContact OG-OE1 3.25Å |
| 1367 | A | 62.9 | Low | 62.7 | Low | 90 Ų | 90 | 53.1 Ų | 53.1 | 74% | 0.744 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -26.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1365 | S1365-A1367 PolarHBondContact O-N 2.9Å; S1365-A1367 PolarHBondContact OG-N 3.49Å |
| 1368 | L | 59.6 | Low | 62 | Low | 67 Ų | 67 | 53.9 Ų | 53.9 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -33.8 | 179.9 | -55.8 | 177.2 | 0 | 0 | 0 | 112 | P491 I493 I1364 S1365 S1366 | P491-L1368 HydrophobicContact CB-CD1 3.72Å; P491-L1368 HydrophobicContact CB-CD2 3.59Å; P491-L1368 HydrophobicContact CB-CG 4.22Å; P491-L1368 HydrophobicContact CG-CD2 4.01Å; I493-L1368 HydrophobicContact CD1-CB 3.88Å; I493-L1368 HydrophobicContact CD1-CD1 4.33Å; I1364-L1368 HydrophobicContact CG2-CB 3.92Å; I1364-L1368 HydrophobicContact CG2-CD1 4.29Å; S1365-L1368 WeakPolarHBondContact O-CA 3.49Å; S1365-L1368 WeakPolarHBondContact O-CB 3.35Å; S1365-L1368 PolarHBondContact O-N 3.26Å; S1366-L1368 PolarHBondContact O-N 3.33Å |
| 1369 | Y | 64.3 | Low | 61.4 | Low | 17 Ų | 17 | 54.1 Ų | 54.1 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | trans | -137.5 | 114 | -177.4 | -167 | -114.1 | 0 | 0 | 0 | 113 | D1308 H1310 I1361 S1365 S1366 F1371 I1557 | D1308-Y1369 VanDerWaalsContact CB-OH 3.22Å; D1308-Y1369 WeakPolarHBondContact CB-OH 3.47Å; D1308-Y1369 WeakPolarHBondContact OD2-CE2 3.22Å; D1308-Y1369 PolarHBondContact OD2-OH 3.31Å; H1310-Y1369 PolarHBondContact CE1-OH 2.65Å; H1310-Y1369 PolarHBondContact ND1-OH 3.03Å; I1361-Y1369 HydrophobicContact CG2-CD1 3.34Å; I1361-Y1369 HydrophobicContact CG2-CE1 3.41Å; I1361-Y1369 VanDerWaalsContact CG2-CE1 3.41Å; I1361-Y1369 HydrophobicContact CG2-CG 3.93Å; S1365-Y1369 PolarHBondContact O-N 3.01Å; S1366-Y1369 WeakPolarHBondContact CA-O 3.36Å; Y1369-F1371 HydrophobicContact CD1-CB 4.3Å; Y1369-F1371 WeakPolarHBondContact CD1-O 3.23Å; Y1369-F1371 HydrophobicContact CE1-CB 3.67Å; Y1369-F1371 WeakPolarHBondContact CE1-O 3.46Å; Y1369-F1371 PolarHBondContact O-N 3.29Å; Y1369-F1371 VanDerWaalsContact O-N 3.12Å; Y1369-I1557 HydrophobicContact CD2-CD1 3.6Å; Y1369-I1557 HydrophobicContact CE2-CD1 3.79Å; Y1369-I1557 HydrophobicContact CE2-CG2 4.36Å; Y1369-I1557 HydrophobicContact CG-CD1 4.46Å | ||
| 1370 | K | 58.3 | Low | 60.4 | Low | 211 Ų | 211 | 60.4 Ų | 60.4 | 92% | 0.917 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -65.9 | -15.8 | -171.4 | -73 | -171.6 | 176 | -177.5 | 0 | 115.6 | ||
| 1371 | F | 57.4 | Low | 59.2 | Low | 101 Ų | 101 | 64.8 Ų | 64.8 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | trans | -108.3 | 84.3 | -178.3 | -168.9 | -89.8 | 0 | 0 | 0 | 110.7 | H1310 W1312 Y1369 | H1310-F1371 AromaticContact CE1-CD1 3.72Å; H1310-F1371 AromaticContact NE2-CD1 3.42Å; H1310-F1371 WeakPolarHBondContact NE2-CD1 3.41Å; H1310-F1371 AromaticContact NE2-CE1 3.46Å; H1310-F1371 WeakPolarHBondContact NE2-CE1 3.33Å; W1312-F1371 HydrophobicContact CB-CE1 4.03Å; Y1369-F1371 HydrophobicContact CD1-CB 4.3Å; Y1369-F1371 WeakPolarHBondContact CD1-O 3.23Å; Y1369-F1371 HydrophobicContact CE1-CB 3.67Å; Y1369-F1371 WeakPolarHBondContact CE1-O 3.46Å; Y1369-F1371 PolarHBondContact O-N 3.29Å; Y1369-F1371 VanDerWaalsContact O-N 3.12Å | ||
| 1372 | Q | 54.3 | Low | 57.9 | Low | 60 Ų | 60 | 69 Ų | 69 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | trans | -92.1 | 141.4 | 164.5 | -73.5 | -170.3 | -35.4 | 0 | 0 | 110.3 | I1364 S1366 | I1364-Q1372 PolarHBondContact O-NE2 3.45Å; S1366-Q1372 PolarHBondContact OG-OE1 3.25Å | ||
| 1373 | P | 55.2 | Low | 56.9 | Low | 26 Ų | 26 | 75 Ų | 75 | 17% | 0.169 | 40% | 0.402 | C | S | . | . | trans | -57.1 | 170.2 | 159.6 | -19.4 | 30.7 | 0 | 0 | 0 | 111.6 | W1312 I1375 | W1312-P1373 HydrophobicContact CD2-CG 3.95Å; W1312-P1373 HydrophobicContact CE3-CB 4.46Å; W1312-P1373 HydrophobicContact CE3-CG 3.43Å; W1312-P1373 VanDerWaalsContact CE3-CG 3.43Å; W1312-P1373 HydrophobicContact CG-CG 4.42Å; W1312-P1373 HydrophobicContact CZ3-CG 3.99Å; P1373-I1375 HydrophobicContact CB-CG1 3.92Å; P1373-I1375 HydrophobicContact CG-CG1 4.17Å; P1373-I1375 PolarHBondContact O-N 3.06Å | ||
| 1374 | K | 51.7 | Low | 55.6 | Low | 216 Ų | 216 | 80.8 Ų | 80.8 | 94% | 0.939 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -73.9 | 73.3 | 158.4 | -71.1 | -172 | 177.1 | -175.2 | 0 | 109.5 | ||
| 1375 | I | 52.3 | Low | 54.4 | Low | 32 Ų | 32 | 83.6 Ų | 83.6 | 16% | 0.164 | 46% | 0.462 | C | S | . | . | trans | -69 | 150.4 | 170.9 | -45.5 | 176.4 | 0 | 0 | 0 | 107.8 | G1362 P1373 C1379 | G1362-I1375 VanDerWaalsContact O-CD1 3.23Å; G1362-I1375 WeakPolarHBondContact O-CD1 3.41Å; P1373-I1375 HydrophobicContact CB-CG1 3.92Å; P1373-I1375 HydrophobicContact CG-CG1 4.17Å; P1373-I1375 PolarHBondContact O-N 3.06Å; I1375-C1379 HydrophobicContact CD1-CB 4.49Å; I1375-C1379 HydrophobicContact CG2-CB 4.18Å | ||
| 1376 | N | 50.6 | Low | 53.4 | Low | 80 Ų | 80 | 88.9 Ų | 88.9 | 43% | 0.428 | 48% | 0.482 | S | S | . | . | trans | -59.5 | 177.4 | 159.2 | -76.7 | -5.7 | 0 | 0 | 0 | 110.9 | D1378 N1415 | N1376-D1378 HydrophobicContact CB-CB 4.24Å; N1376-D1378 VanDerWaalsContact CB-CG 3.42Å; N1376-D1378 WeakPolarHBondContact CB-OD2 3.34Å; N1376-D1378 PolarHBondContact ND2-OD2 2.74Å; N1376-D1378 PolarHBondContact O-N 2.7Å; N1376-N1415 VanDerWaalsContact CG-ND2 3.33Å; N1376-N1415 PolarHBondContact ND2-ND2 2.92Å; N1376-N1415 PolarHBondContact OD1-ND2 3.04Å | ||
| 1377 | S | 50 | Low | 52.8 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -54 | -8.5 | 165.7 | 41.2 | 0 | 0 | 0 | 0 | 115.5 | L1380 I1381 | S1377-L1380 CarbonylContact O-C 3.57Å; S1377-L1380 WeakPolarHBondContact O-CA 3.48Å; S1377-L1380 VanDerWaalsContact O-CB 3.32Å; S1377-L1380 WeakPolarHBondContact O-CB 3.47Å; S1377-L1380 PolarHBondContact O-N 3.29Å; S1377-I1381 WeakPolarHBondContact O-CG1 3.38Å; S1377-I1381 PolarHBondContact O-N 3.5Å |
| 1378 | D | 52.6 | Low | 52.1 | Low | 27 Ų | 27 | 91.9 Ų | 91.9 | 14% | 0.144 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -84.6 | -27.4 | -152.7 | -46.8 | -21.1 | 0 | 0 | 0 | 112.3 | N1376 L1380 F1387 | N1376-D1378 HydrophobicContact CB-CB 4.24Å; N1376-D1378 VanDerWaalsContact CB-CG 3.42Å; N1376-D1378 WeakPolarHBondContact CB-OD2 3.34Å; N1376-D1378 PolarHBondContact ND2-OD2 2.74Å; N1376-D1378 PolarHBondContact O-N 2.7Å; D1378-L1380 PolarHBondContact O-N 3.02Å; D1378-F1387 HydrophobicContact CB-CE1 4.01Å; D1378-F1387 HydrophobicContact CB-CZ 4.06Å; D1378-F1387 WeakPolarHBondContact O-CZ 3.27Å |
| 1379 | C | 60 | Low | 51.8 | Low | 17 Ų | 17 | 92.4 Ų | 92.4 | 12% | 0.115 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -68 | -10.8 | 163.2 | -67.9 | 0 | 0 | 0 | 0 | 113 | C1363 I1375 | C1363-C1379 VanDerWaalsContact CA-SG 3.54Å; C1363-C1379 HydrophobicContact CB-CB 3.74Å; C1363-C1379 WeakPolarHBondContact CB-SG 3.44Å; C1363-C1379 WeakPolarHBondContact SG-CB 3.49Å; C1363-C1379 CovalentContact SG-SG 2.05Å; C1363-C1379 PolarHBondContact SG-SG 2.83Å; I1375-C1379 HydrophobicContact CD1-CB 4.49Å; I1375-C1379 HydrophobicContact CG2-CB 4.18Å |
| 1380 | L | 51.4 | Low | 51.3 | Low | 132 Ų | 132 | 97 Ų | 97 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -107.6 | -9.1 | -175.9 | -65.6 | 164.8 | 0 | 0 | 0 | 113.9 | S1377 D1378 | S1377-L1380 CarbonylContact O-C 3.57Å; S1377-L1380 WeakPolarHBondContact O-CA 3.48Å; S1377-L1380 VanDerWaalsContact O-CB 3.32Å; S1377-L1380 WeakPolarHBondContact O-CB 3.47Å; S1377-L1380 PolarHBondContact O-N 3.29Å; D1378-L1380 PolarHBondContact O-N 3.02Å |
| 1381 | I | 50 | Low | 51.2 | Low | 96 Ų | 96 | 93 Ų | 93 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | trans | -91.7 | -2.5 | -169.4 | -83.7 | 172.3 | 0 | 0 | 0 | 114.4 | S1377 T1383 | S1377-I1381 WeakPolarHBondContact O-CG1 3.38Å; S1377-I1381 PolarHBondContact O-N 3.5Å; I1381-T1383 PolarHBondContact O-N 3.45Å | ||
| 1382 | Q | 47.6 | Very low | 51.1 | Low | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 43.8 | -169.1 | -68.2 | -159.5 | -71.6 | 0 | 0 | 117.3 | F1356 F1387 | F1356-Q1382 HydrophobicContact CE1-CG 4.42Å; F1356-Q1382 VanDerWaalsContact CE1-OE1 3.29Å; F1356-Q1382 VanDerWaalsContact CE2-CD 3.47Å; F1356-Q1382 HydrophobicContact CE2-CG 4.37Å; F1356-Q1382 HydrophobicContact CZ-CG 3.81Å; F1356-Q1382 VanDerWaalsContact CZ-OE1 3.26Å; Q1382-F1387 HydrophobicContact CG-CE2 4.18Å |
| 1383 | T | 47 | Very low | 51.2 | Low | 127 Ų | 127 | 96.5 Ų | 96.5 | 78% | 0.779 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -33.1 | 157.3 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | I1381 | I1381-T1383 PolarHBondContact O-N 3.45Š|
| 1384 | N | 43.1 | Very low | 51.3 | Low | 129 Ų | 129 | 99.3 Ų | 99.3 | 69% | 0.69 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -118.2 | 26.1 | -163.3 | -67.1 | 12.3 | 0 | 0 | 0 | 115.5 | Q1386 | N1384-Q1386 VanDerWaalsContact C-N 3.31Å; N1384-Q1386 PolarHBondContact O-N 2.96Å |
| 1385 | G | 46.4 | Very low | 51.6 | Low | 60 Ų | 60 | 93 Ų | 93 | 62% | 0.619 | 50% | 0.498 | S | S | * | . | trans | 67.2 | -13.2 | 153 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1386 | Q | 45.1 | Very low | 51.9 | Low | 149 Ų | 149 | 97.5 Ų | 97.5 | 70% | 0.696 | 52% | 0.516 | S | S | * | . | trans | -114.6 | 110.2 | -174.4 | -69.7 | -172.1 | -9.4 | 0 | 0 | 114 | N1384 N1388 | N1384-Q1386 VanDerWaalsContact C-N 3.31Å; N1384-Q1386 PolarHBondContact O-N 2.96Å; Q1386-N1388 PolarHBondContact O-N 3.16Å | ||
| 1387 | F | 49.3 | Very low | 52.3 | Low | 80 Ų | 80 | 98 Ų | 98 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | trans | -86.4 | 73.4 | 173.2 | -104.5 | -97.6 | 0 | 0 | 0 | 111.8 | F1356 D1378 Q1382 L1389 | F1356-F1387 HydrophobicContact CE2-CD2 4.4Å; F1356-F1387 AromaticContact CE2-CE2 3.67Å; F1356-F1387 HydrophobicContact CE2-CE2 3.67Å; F1356-F1387 AromaticContact CE2-CZ 3.94Å; F1356-F1387 HydrophobicContact CE2-CZ 3.94Å; F1356-F1387 AromaticContact CZ-CE2 3.56Å; F1356-F1387 HydrophobicContact CZ-CE2 3.56Å; F1356-F1387 AromaticContact CZ-CZ 3.55Å; F1356-F1387 HydrophobicContact CZ-CZ 3.55Å; D1378-F1387 HydrophobicContact CB-CE1 4.01Å; D1378-F1387 HydrophobicContact CB-CZ 4.06Å; D1378-F1387 WeakPolarHBondContact O-CZ 3.27Å; Q1382-F1387 HydrophobicContact CG-CE2 4.18Å; F1387-L1389 VanDerWaalsContact C-N 3.26Å; F1387-L1389 HydrophobicContact CD1-CD1 4.29Å; F1387-L1389 HydrophobicContact CD1-CG 4.34Å; F1387-L1389 PolarHBondContact O-N 3.17Å | ||
| 1388 | N | 47.7 | Very low | 52.9 | Low | 144 Ų | 144 | 95.5 Ų | 95.5 | 77% | 0.77 | 50% | 0.498 | S | S | * | . | trans | -77.8 | 75.1 | 171.7 | -80.4 | -17.1 | 0 | 0 | 0 | 111.2 | Q1386 | Q1386-N1388 PolarHBondContact O-N 3.16Š| ||
| 1389 | L | 52.9 | Low | 53.4 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | trans | -70.5 | 134.7 | 165.8 | -75.7 | 164 | 0 | 0 | 0 | 109.8 | F1387 N1391 P1411 | F1387-L1389 VanDerWaalsContact C-N 3.26Å; F1387-L1389 HydrophobicContact CD1-CD1 4.29Å; F1387-L1389 HydrophobicContact CD1-CG 4.34Å; F1387-L1389 PolarHBondContact O-N 3.17Å; L1389-N1391 PolarHBondContact O-N 3.23Å; L1389-N1391 VanDerWaalsContact O-N 3.13Å; L1389-P1411 HydrophobicContact CD1-CG 3.95Å | ||
| 1390 | N | 55.3 | Low | 53.5 | Low | 114 Ų | 114 | 103.1 Ų | 103.1 | 61% | 0.61 | 53% | 0.534 | S | S | * | . | trans | -64.6 | 113.3 | 178.8 | -77.3 | -24.9 | 0 | 0 | 0 | 111.3 | H1392 D1393 Y1394 | N1390-H1392 PolarHBondContact O-N 2.88Å; N1390-D1393 HydrophobicContact CB-CB 4.48Å; N1390-D1393 PolarHBondContact O-N 3.41Å; N1390-Y1394 PolarHBondContact O-N 3.34Å; N1390-Y1394 VanDerWaalsContact O-N 3.08Å | ||
| 1391 | N | 56.4 | Low | 54 | Low | 127 Ų | 127 | 98.4 Ų | 98.4 | 68% | 0.679 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -53.9 | -26.3 | 178 | -76.6 | -15.6 | 0 | 0 | 0 | 114.1 | L1389 N1395 | L1389-N1391 PolarHBondContact O-N 3.23Å; L1389-N1391 VanDerWaalsContact O-N 3.13Å; N1391-N1395 PolarHBondContact O-N 3.5Å; N1391-N1395 VanDerWaalsContact O-N 3.13Å |
| 1392 | H | 55.2 | Low | 54.4 | Low | 155 Ų | 155 | 94.1 Ų | 94.1 | 72% | 0.718 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.2 | -31.3 | 175.3 | -87.9 | -47.8 | 0 | 0 | 0 | 114.5 | N1390 K1396 | N1390-H1392 PolarHBondContact O-N 2.88Å; H1392-K1396 WeakPolarHBondContact O-CG 3.28Å |
| 1393 | D | 56.3 | Low | 54.7 | Low | 79 Ų | 79 | 95.1 Ų | 95.1 | 42% | 0.422 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -85.3 | -34.1 | 176.1 | -62.1 | -47.8 | 0 | 0 | 0 | 110.4 | N1390 K1396 H1397 | N1390-D1393 HydrophobicContact CB-CB 4.48Å; N1390-D1393 PolarHBondContact O-N 3.41Å; D1393-K1396 PolarHBondContact O-N 3.01Å; D1393-H1397 WeakPolarHBondContact O-CB 3.37Å; D1393-H1397 PolarHBondContact O-N 3.05Å |
| 1394 | Y | 56 | Low | 55 | Low | 85 Ų | 85 | 95.7 Ų | 95.7 | 33% | 0.333 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -52.4 | -57.9 | 170.3 | -176.5 | -82.1 | 0 | 0 | 0 | 111.9 | N1390 K1396 H1397 C1398 C1409 P1411 | N1390-Y1394 PolarHBondContact O-N 3.34Å; N1390-Y1394 VanDerWaalsContact O-N 3.08Å; Y1394-K1396 PolarHBondContact O-N 3.17Å; Y1394-H1397 PolarHBondContact O-N 3.26Å; Y1394-C1398 PolarHBondContact O-N 3.41Å; Y1394-C1409 PolarHBondContact OH-O 3.43Å; Y1394-C1409 VanDerWaalsContact OH-O 3.1Å; Y1394-P1411 HydrophobicContact CD2-CG 3.98Å; Y1394-P1411 HydrophobicContact CE2-CG 3.93Å |
| 1395 | N | 57.6 | Low | 55.5 | Low | 84 Ų | 84 | 95.4 Ų | 95.4 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | -178.7 | -77.8 | 3.3 | 0 | 0 | 0 | 111.6 | N1391 H1397 C1398 E1399 | N1391-N1395 PolarHBondContact O-N 3.5Å; N1391-N1395 VanDerWaalsContact O-N 3.13Å; N1395-H1397 PolarHBondContact O-N 3.01Å; N1395-C1398 PolarHBondContact O-N 3.14Å; N1395-E1399 VanDerWaalsContact O-CB 3.32Å; N1395-E1399 WeakPolarHBondContact O-CB 3.47Å; N1395-E1399 WeakPolarHBondContact O-CG 3.21Å; N1395-E1399 PolarHBondContact O-N 3.46Å |
| 1396 | K | 60 | Low | 56.1 | Low | 125 Ų | 125 | 99.3 Ų | 99.3 | 54% | 0.543 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -30.3 | 179.7 | -77.5 | 176.6 | -178.3 | 166.6 | 0 | 114.2 | H1392 D1393 Y1394 | H1392-K1396 WeakPolarHBondContact O-CG 3.28Å; D1393-K1396 PolarHBondContact O-N 3.01Å; Y1394-K1396 PolarHBondContact O-N 3.17Å |
| 1397 | H | 58 | Low | 57.1 | Low | 92 Ų | 92 | 95.2 Ų | 95.2 | 43% | 0.426 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -83.9 | -34.5 | 178.1 | -77.1 | -3.5 | 0 | 0 | 0 | 112.7 | D1393 Y1394 N1395 Y1401 | D1393-H1397 WeakPolarHBondContact O-CB 3.37Å; D1393-H1397 PolarHBondContact O-N 3.05Å; Y1394-H1397 PolarHBondContact O-N 3.26Å; N1395-H1397 PolarHBondContact O-N 3.01Å; H1397-Y1401 VanDerWaalsContact O-CD2 3.26Å; H1397-Y1401 WeakPolarHBondContact O-CD2 3.49Å |
| 1398 | C | 64.2 | Low | 58 | Low | 13 Ų | 13 | 94.1 Ų | 94.1 | 9% | 0.088 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -75.1 | -41.9 | 174.1 | -74.1 | 0 | 0 | 0 | 0 | 113 | Y1394 N1395 L1400 Y1401 S1402 C1409 | Y1394-C1398 PolarHBondContact O-N 3.41Å; N1395-C1398 PolarHBondContact O-N 3.14Å; C1398-L1400 PolarHBondContact O-N 3.45Å; C1398-Y1401 PolarHBondContact O-N 3.48Å; C1398-S1402 PolarHBondContact O-N 3.06Å; C1398-S1402 PolarHBondContact O-OG 3.01Å; C1398-C1409 VanDerWaalsContact CA-SG 3.52Å; C1398-C1409 HydrophobicContact CB-CB 3.69Å; C1398-C1409 WeakPolarHBondContact CB-SG 3.48Å; C1398-C1409 WeakPolarHBondContact SG-CB 3.33Å; C1398-C1409 CovalentContact SG-SG 2.04Å; C1398-C1409 PolarHBondContact SG-SG 3.46Å |
| 1399 | E | 62.7 | Low | 59.2 | Low | 103 Ų | 103 | 87.7 Ų | 87.7 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -32.8 | -178.4 | -81.4 | 167 | -168.1 | 0 | 0 | 114.2 | N1395 Y1401 | N1395-E1399 VanDerWaalsContact O-CB 3.32Å; N1395-E1399 WeakPolarHBondContact O-CB 3.47Å; N1395-E1399 WeakPolarHBondContact O-CG 3.21Å; N1395-E1399 PolarHBondContact O-N 3.46Å; E1399-Y1401 VanDerWaalsContact C-N 3.26Å; E1399-Y1401 PolarHBondContact O-N 3.2Å |
| 1400 | L | 61.2 | Low | 60.1 | Low | 100 Ų | 100 | 87.3 Ų | 87.3 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.9 | 178.1 | -72 | 169.1 | 0 | 0 | 0 | 114.5 | C1398 | C1398-L1400 PolarHBondContact O-N 3.45Š|
| 1401 | Y | 62.3 | Low | 60.8 | Low | 33 Ų | 33 | 84 Ų | 84 | 13% | 0.129 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -33.5 | -177.5 | -54.4 | -72.9 | 0 | 0 | 0 | 112.4 | V1324 H1397 C1398 E1399 F1403 I1417 L1436 | V1324-Y1401 HydrophobicContact CG2-CD1 4.17Å; V1324-Y1401 HydrophobicContact CG2-CE1 4.01Å; V1324-Y1401 HydrophobicContact CG2-CE2 4.38Å; V1324-Y1401 HydrophobicContact CG2-CG 4.45Å; H1397-Y1401 VanDerWaalsContact O-CD2 3.26Å; H1397-Y1401 WeakPolarHBondContact O-CD2 3.49Å; C1398-Y1401 PolarHBondContact O-N 3.48Å; E1399-Y1401 VanDerWaalsContact C-N 3.26Å; E1399-Y1401 PolarHBondContact O-N 3.2Å; Y1401-F1403 PolarHBondContact O-N 2.87Å; Y1401-I1417 HydrophobicContact CD2-CD1 3.91Å; Y1401-I1417 HydrophobicContact CE2-CD1 3.67Å; Y1401-L1436 HydrophobicContact CD1-CD2 3.71Å; Y1401-L1436 HydrophobicContact CE1-CD2 3.96Å |
| 1402 | S | 58.7 | Low | 61.5 | Low | 7 Ų | 7 | 78.3 Ų | 78.3 | 5% | 0.049 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -88.5 | 68.1 | 176.4 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | C1398 N1404 N1405 | C1398-S1402 PolarHBondContact O-N 3.06Å; C1398-S1402 PolarHBondContact O-OG 3.01Å; S1402-N1404 PolarHBondContact O-N 2.97Å; S1402-N1405 WeakPolarHBondContact O-CA 3.3Å; S1402-N1405 PolarHBondContact O-N 3.44Å |
| 1403 | F | 52.7 | Low | 62.1 | Low | 112 Ų | 112 | 71.1 Ų | 71.1 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -53 | 128.1 | 179.1 | -86.8 | -97.7 | 0 | 0 | 0 | 112.1 | Y1401 N1405 K1406 L1436 | Y1401-F1403 PolarHBondContact O-N 2.87Å; F1403-N1405 PolarHBondContact O-N 3.5Å; F1403-K1406 PolarHBondContact O-N 2.85Å; F1403-L1436 HydrophobicContact CE2-CD1 3.79Å; F1403-L1436 HydrophobicContact CZ-CD1 4.23Å |
| 1404 | N | 54.3 | Low | 62.7 | Low | 140 Ų | 140 | 67.6 Ų | 67.6 | 75% | 0.749 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | 54.4 | 29.2 | -172.5 | -62.4 | 13.8 | 0 | 0 | 0 | 114.6 | S1402 K1406 | S1402-N1404 PolarHBondContact O-N 2.97Å; N1404-K1406 HydrophobicContact CB-CG 4.23Å; N1404-K1406 PolarHBondContact O-N 2.68Å |
| 1405 | N | 53.9 | Low | 63.3 | Low | 122 Ų | 122 | 66.5 Ų | 66.5 | 65% | 0.652 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | 53.3 | 24.8 | 179.9 | -65.4 | -2.6 | 0 | 0 | 0 | 114.7 | S1402 F1403 Y1407 | S1402-N1405 WeakPolarHBondContact O-CA 3.3Å; S1402-N1405 PolarHBondContact O-N 3.44Å; F1403-N1405 PolarHBondContact O-N 3.5Å; N1405-Y1407 PolarHBondContact O-N 3.21Å |
| 1406 | K | 58.9 | Low | 64 | Low | 143 Ų | 143 | 62.5 Ų | 62.5 | 62% | 0.622 | 31% | 0.306 | S | S | * | . | trans | -75.1 | -17.8 | -172.3 | -72.6 | -170 | 171.8 | -171.2 | 0 | 115.5 | F1403 N1404 | F1403-K1406 PolarHBondContact O-N 2.85Å; N1404-K1406 HydrophobicContact CB-CG 4.23Å; N1404-K1406 PolarHBondContact O-N 2.68Å | ||
| 1407 | Y | 66.1 | Low | 64.8 | Low | 62 Ų | 62 | 57.1 Ų | 57.1 | 24% | 0.243 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -130.7 | 127.5 | -167.4 | -49.6 | -50.8 | 0 | 0 | 0 | 110.5 | N1405 L1421 I1424 Y1429 | N1405-Y1407 PolarHBondContact O-N 3.21Å; Y1407-L1421 HydrophobicContact CD2-CD2 4.41Å; Y1407-L1421 HydrophobicContact CG-CD2 4.22Å; Y1407-I1424 HydrophobicContact CD1-CD1 3.54Å; Y1407-I1424 HydrophobicContact CE1-CD1 3.27Å; Y1407-I1424 HydrophobicContact CE1-CG1 4.27Å; Y1407-I1424 HydrophobicContact CG-CD1 4.38Å; Y1407-Y1429 HydrophobicContact CD2-CE2 4.45Å; Y1407-Y1429 HydrophobicContact CE2-CE2 4.06Å |
| 1408 | P | 68.4 | Low | 65.8 | Low | 58 Ų | 58 | 52.9 Ų | 52.9 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | trans | -58.5 | 139.6 | 175.1 | -22.2 | 31.4 | 0 | 0 | 0 | 111.8 | Y1410 N1420 | P1408-Y1410 HydrophobicContact CB-CE2 3.87Å; P1408-N1420 HydrophobicContact CB-CB 3.91Å; P1408-N1420 HydrophobicContact CG-CB 4.07Å; P1408-N1420 PolarHBondContact O-N 3.15Å | ||
| 1409 | C | 71.4 | Confident | 66.7 | Low | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 121.8 | -174.2 | 167.3 | 0 | 0 | 0 | 0 | 107.8 | Y1394 C1398 I1417 L1418 L1419 | Y1394-C1409 PolarHBondContact OH-O 3.43Å; Y1394-C1409 VanDerWaalsContact OH-O 3.1Å; C1398-C1409 VanDerWaalsContact CA-SG 3.52Å; C1398-C1409 HydrophobicContact CB-CB 3.69Å; C1398-C1409 WeakPolarHBondContact CB-SG 3.48Å; C1398-C1409 WeakPolarHBondContact SG-CB 3.33Å; C1398-C1409 CovalentContact SG-SG 2.04Å; C1398-C1409 PolarHBondContact SG-SG 3.46Å; C1409-I1417 VanDerWaalsContact SG-CG2 3.59Å; C1409-L1418 WeakPolarHBondContact CA-O 3.34Å; C1409-L1419 HydrophobicContact CB-CD2 3.98Å |
| 1410 | Y | 73 | Confident | 67.6 | Low | 71 Ų | 71 | 48.4 Ų | 48.4 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.5 | -174.7 | -55.3 | -78 | 0 | 0 | 0 | 110.5 | Y1327 P1408 L1418 | Y1327-Y1410 HydrophobicContact CE1-CD2 4.47Å; Y1327-Y1410 HydrophobicContact CE1-CE2 4.33Å; P1408-Y1410 HydrophobicContact CB-CE2 3.87Å; Y1410-L1418 PolarHBondContact N-O 3.17Å; Y1410-L1418 PolarHBondContact O-N 2.97Å |
| 1411 | P | 69.7 | Low | 68.5 | Low | 44 Ų | 44 | 43.7 Ų | 43.7 | 29% | 0.286 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.1 | 170.8 | 31.4 | -32.8 | 0 | 0 | 0 | 111.2 | L1389 Y1394 | L1389-P1411 HydrophobicContact CD1-CG 3.95Å; Y1394-P1411 HydrophobicContact CD2-CG 3.98Å; Y1394-P1411 HydrophobicContact CE2-CG 3.93Å |
| 1412 | L | 71.4 | Confident | 69.3 | Low | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -89.6 | 157.2 | 169.7 | -60.1 | 175.6 | 0 | 0 | 0 | 110.2 | L1358 T1414 N1415 D1416 | L1358-L1412 HydrophobicContact CB-CD1 3.8Å; L1358-L1412 HydrophobicContact CB-CD2 4.16Å; L1412-T1414 PolarHBondContact O-N 3.26Å; L1412-N1415 PolarHBondContact O-N 2.68Å; L1412-D1416 HydrophobicContact CD1-CB 4.44Å; L1412-D1416 PolarHBondContact N-O 2.92Å | ||
| 1413 | A | 67.3 | Low | 69.9 | Low | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.033 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -6.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1355 F1356 T1359 | P1355-A1413 HydrophobicContact CB-CB 4.48Å; P1355-A1413 PolarHBondContact O-N 2.96Å; F1356-A1413 HydrophobicContact CD1-CB 3.87Å; F1356-A1413 HydrophobicContact CE1-CB 3.51Å; F1356-A1413 HydrophobicContact CE2-CB 4.18Å; F1356-A1413 HydrophobicContact CG-CB 4.37Å; F1356-A1413 HydrophobicContact CZ-CB 3.67Å; T1359-A1413 HydrophobicContact CG2-CB 4.31Å |
| 1414 | T | 67.9 | Low | 70.9 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 12.8 | 177.9 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | W1312 T1359 L1412 D1416 | W1312-T1414 HydrophobicContact CH2-CG2 3.6Å; W1312-T1414 WeakPolarHBondContact CH2-OG1 3.21Å; W1312-T1414 HydrophobicContact CZ2-CG2 4.5Å; W1312-T1414 HydrophobicContact CZ3-CG2 4.03Å; T1359-T1414 HydrophobicContact CG2-CG2 3.88Å; L1412-T1414 PolarHBondContact O-N 3.26Å; T1414-D1416 VanDerWaalsContact CB-OD2 3.23Å; T1414-D1416 WeakPolarHBondContact CB-OD2 3.32Å; T1414-D1416 PolarHBondContact O-N 3.35Å; T1414-D1416 PolarHBondContact OG1-OD2 3.17Å |
| 1415 | N | 68.8 | Low | 72.1 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 64.7 | 18.6 | -175.6 | -62.3 | -14 | 0 | 0 | 0 | 114.8 | G1322 N1376 L1412 | G1322-N1415 WeakPolarHBondContact CA-O 3.21Å; G1322-N1415 PolarHBondContact N-O 2.89Å; N1376-N1415 VanDerWaalsContact CG-ND2 3.33Å; N1376-N1415 PolarHBondContact ND2-ND2 2.92Å; N1376-N1415 PolarHBondContact OD1-ND2 3.04Å; L1412-N1415 PolarHBondContact O-N 2.68Å |
| 1416 | D | 73.8 | Confident | 73.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -91.9 | 153.1 | 171.3 | -48.4 | -72 | 0 | 0 | 0 | 110.3 | W1312 K1315 G1322 F1323 L1412 T1414 | W1312-D1416 WeakPolarHBondContact CZ3-OD2 3.32Å; K1315-D1416 IonicContact NZ-OD1 3.53Å; K1315-D1416 PolarHBondContact NZ-OD1 3.31Å; K1315-D1416 IonicContact NZ-OD2 2.72Å; G1322-D1416 WeakPolarHBondContact CA-OD1 3.19Å; F1323-D1416 HydrophobicContact CB-CB 4.4Å; F1323-D1416 WeakPolarHBondContact CD2-OD1 3.08Å; F1323-D1416 PolarHBondContact N-OD1 2.87Å; L1412-D1416 HydrophobicContact CD1-CB 4.44Å; L1412-D1416 PolarHBondContact N-O 2.92Å; T1414-D1416 VanDerWaalsContact CB-OD2 3.23Å; T1414-D1416 WeakPolarHBondContact CB-OD2 3.32Å; T1414-D1416 PolarHBondContact O-N 3.35Å; T1414-D1416 PolarHBondContact OG1-OD2 3.17Å | ||
| 1417 | I | 76.6 | Confident | 74.7 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 6% | 0.062 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.9 | -171.4 | -61 | 173 | 0 | 0 | 0 | 109.2 | F1323 V1324 H1325 Y1401 C1409 L1419 | F1323-I1417 PolarHBondContact O-N 3.49Å; V1324-I1417 CarbonylContact C-O 3.55Å; V1324-I1417 WeakPolarHBondContact CA-O 3.33Å; V1324-I1417 HydrophobicContact CG2-CB 4.37Å; H1325-I1417 PolarHBondContact N-O 3.07Å; Y1401-I1417 HydrophobicContact CD2-CD1 3.91Å; Y1401-I1417 HydrophobicContact CE2-CD1 3.67Å; C1409-I1417 VanDerWaalsContact SG-CG2 3.59Å; I1417-L1419 HydrophobicContact CG2-CD2 4.29Å |
| 1418 | L | 79.4 | Confident | 75.4 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.6 | 175.1 | -178.8 | 69.7 | 0 | 0 | 0 | 110.4 | H1325 Y1327 I1352 L1358 C1409 Y1410 | H1325-L1418 HydrophobicContact CB-CD1 3.95Å; Y1327-L1418 HydrophobicContact CD1-CD1 3.9Å; Y1327-L1418 HydrophobicContact CD1-CD2 3.8Å; Y1327-L1418 HydrophobicContact CD1-CG 3.78Å; Y1327-L1418 HydrophobicContact CE1-CD2 3.93Å; Y1327-L1418 HydrophobicContact CE1-CG 4.13Å; I1352-L1418 HydrophobicContact CG2-CD2 3.65Å; L1358-L1418 HydrophobicContact CD1-CD1 3.86Å; L1358-L1418 HydrophobicContact CD1-CD2 3.68Å; L1358-L1418 HydrophobicContact CD1-CG 4.37Å; C1409-L1418 WeakPolarHBondContact CA-O 3.34Å; Y1410-L1418 PolarHBondContact N-O 3.17Å; Y1410-L1418 PolarHBondContact O-N 2.97Å |
| 1419 | L | 81.6 | Confident | 76.2 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.6 | 173.7 | -60.1 | 178 | 0 | 0 | 0 | 111.1 | V1324 H1325 F1326 Y1327 C1409 I1417 L1421 M1441 | V1324-L1419 HydrophobicContact CG1-CD1 3.53Å; V1324-L1419 HydrophobicContact CG1-CG 3.82Å; H1325-L1419 PolarHBondContact O-N 3.34Å; F1326-L1419 CarbonylContact C-O 3.51Å; F1326-L1419 WeakPolarHBondContact CA-O 3.42Å; F1326-L1419 HydrophobicContact CB-CB 4.23Å; Y1327-L1419 PolarHBondContact N-O 2.9Å; C1409-L1419 HydrophobicContact CB-CD2 3.98Å; I1417-L1419 HydrophobicContact CG2-CD2 4.29Å; L1419-L1421 HydrophobicContact CB-CD2 4.43Å; L1419-L1421 HydrophobicContact CB-CG 4.26Å; L1419-M1441 HydrophobicContact CD1-CE 4.33Å |
| 1420 | N | 82.9 | Confident | 76.8 | Confident | 21 Ų | 21 | 29 Ų | 29 | 11% | 0.112 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.9 | 163.3 | -177.1 | 7.7 | 0 | 0 | 0 | 109.5 | Y1327 P1408 S1422 | Y1327-N1420 HydrophobicContact CD1-CB 4.43Å; Y1327-N1420 HydrophobicContact CE1-CB 3.62Å; Y1327-N1420 HydrophobicContact CE2-CB 4.31Å; Y1327-N1420 VanDerWaalsContact CZ-CG 3.49Å; Y1327-N1420 WeakPolarHBondContact OH-CB 3.28Å; Y1327-N1420 PolarHBondContact OH-ND2 3.09Å; P1408-N1420 HydrophobicContact CB-CB 3.91Å; P1408-N1420 HydrophobicContact CG-CB 4.07Å; P1408-N1420 PolarHBondContact O-N 3.15Å; N1420-S1422 PolarHBondContact ND2-OG 3.17Å; N1420-S1422 VanDerWaalsContact OD1-CB 3.26Å; N1420-S1422 WeakPolarHBondContact OD1-CB 3.36Å; N1420-S1422 PolarHBondContact OD1-N 3.38Å; N1420-S1422 PolarHBondContact OD1-OG 3.31Å; N1420-S1422 VanDerWaalsContact OD1-OG 3.13Å |
| 1421 | L | 80.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | trans | -116.4 | 25.9 | 177.3 | -57.9 | 174.8 | 0 | 0 | 0 | 112 | F1326 Y1327 T1328 Y1407 L1419 I1424 Y1429 | F1326-L1421 HydrophobicContact CB-CD1 3.75Å; F1326-L1421 HydrophobicContact CB-CG 4.24Å; F1326-L1421 HydrophobicContact CD2-CD1 4.12Å; F1326-L1421 HydrophobicContact CG-CD1 3.93Å; Y1327-L1421 PolarHBondContact O-N 3.33Å; T1328-L1421 VanDerWaalsContact CG2-C 3.48Å; T1328-L1421 HydrophobicContact CG2-CB 3.65Å; T1328-L1421 VanDerWaalsContact CG2-O 3.28Å; T1328-L1421 WeakPolarHBondContact CG2-O 3.39Å; Y1407-L1421 HydrophobicContact CD2-CD2 4.41Å; Y1407-L1421 HydrophobicContact CG-CD2 4.22Å; L1419-L1421 HydrophobicContact CB-CD2 4.43Å; L1419-L1421 HydrophobicContact CB-CG 4.26Å; L1421-I1424 HydrophobicContact CB-CD1 4.01Å; L1421-I1424 HydrophobicContact CD2-CD1 3.83Å; L1421-I1424 WeakPolarHBondContact O-CB 3.42Å; L1421-I1424 PolarHBondContact O-N 3.17Å; L1421-Y1429 HydrophobicContact CD1-CD1 3.67Å; L1421-Y1429 HydrophobicContact CD1-CE1 3.48Å; L1421-Y1429 VanDerWaalsContact CD1-CE1 3.48Å; L1421-Y1429 HydrophobicContact CD1-CG 4.37Å; L1421-Y1429 HydrophobicContact CD2-CD2 4.39Å; L1421-Y1429 HydrophobicContact CD2-CE1 4.11Å; L1421-Y1429 HydrophobicContact CD2-CE2 3.93Å; L1421-Y1429 HydrophobicContact CG-CE1 4.48Å | ||
| 1422 | S | 77.2 | Confident | 77.5 | Confident | 35 Ų | 35 | 30.7 Ų | 30.7 | 25% | 0.245 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 141.4 | 174.1 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | T1329 N1420 I1424 | T1329-S1422 WeakPolarHBondContact O-CA 3.39Å; N1420-S1422 PolarHBondContact ND2-OG 3.17Å; N1420-S1422 VanDerWaalsContact OD1-CB 3.26Å; N1420-S1422 WeakPolarHBondContact OD1-CB 3.36Å; N1420-S1422 PolarHBondContact OD1-N 3.38Å; N1420-S1422 PolarHBondContact OD1-OG 3.31Å; N1420-S1422 VanDerWaalsContact OD1-OG 3.13Å; S1422-I1424 VanDerWaalsContact C-N 3.27Å; S1422-I1424 PolarHBondContact O-N 3.23Å |
| 1423 | N | 73 | Confident | 77.8 | Confident | 113 Ų | 113 | 33 Ų | 33 | 60% | 0.604 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 24.1 | -177.9 | -55.7 | -19 | 0 | 0 | 0 | 115.5 | T1329 N1331 | T1329-N1423 PolarHBondContact O-N 2.93Å; N1331-N1423 PolarHBondContact N-OD1 3.16Å |
| 1424 | I | 73.6 | Confident | 78.1 | Confident | 41 Ų | 41 | 35 Ų | 35 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -116.5 | 143.6 | 175.6 | -52.2 | 173 | 0 | 0 | 0 | 109.9 | Y1407 L1421 S1422 I1426 Y1429 | Y1407-I1424 HydrophobicContact CD1-CD1 3.54Å; Y1407-I1424 HydrophobicContact CE1-CD1 3.27Å; Y1407-I1424 HydrophobicContact CE1-CG1 4.27Å; Y1407-I1424 HydrophobicContact CG-CD1 4.38Å; L1421-I1424 HydrophobicContact CB-CD1 4.01Å; L1421-I1424 HydrophobicContact CD2-CD1 3.83Å; L1421-I1424 WeakPolarHBondContact O-CB 3.42Å; L1421-I1424 PolarHBondContact O-N 3.17Å; S1422-I1424 VanDerWaalsContact C-N 3.27Å; S1422-I1424 PolarHBondContact O-N 3.23Å; I1424-I1426 PolarHBondContact O-N 3.07Å; I1424-Y1429 HydrophobicContact CG2-CD2 4.47Å |
| 1425 | D | 78.9 | Confident | 78.1 | Confident | 84 Ų | 84 | 44.3 Ų | 44.3 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | trans | -68.4 | 98.9 | 163.8 | 179.4 | -3 | 0 | 0 | 0 | 110.3 | S1427 N1428 Y1429 | D1425-S1427 PolarHBondContact O-N 3.12Å; D1425-S1427 WeakPolarHBondContact OD1-CB 3.44Å; D1425-S1427 PolarHBondContact OD1-N 3.48Å; D1425-S1427 PolarHBondContact OD1-OG 3.18Å; D1425-S1427 PolarHBondContact OD2-OG 3.02Å; D1425-N1428 HydrophobicContact CB-CB 4.42Å; D1425-N1428 PolarHBondContact O-N 3.3Å; D1425-N1428 PolarHBondContact OD1-N 2.87Å; D1425-N1428 PolarHBondContact OD2-ND2 3.17Å; D1425-Y1429 WeakPolarHBondContact O-CB 3.19Å; D1425-Y1429 PolarHBondContact O-N 3.37Å | ||
| 1426 | I | 83.1 | Confident | 78.2 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.7 | -37.7 | 179.6 | -53.7 | 169.3 | 0 | 0 | 0 | 111.2 | F1326 T1328 I1424 Y1429 L1430 E1446 W1500 | F1326-I1426 HydrophobicContact CE2-CD1 4.35Å; F1326-I1426 HydrophobicContact CE2-CG2 3.86Å; F1326-I1426 HydrophobicContact CZ-CG2 3.8Å; T1328-I1426 HydrophobicContact CG2-CD1 3.61Å; T1328-I1426 HydrophobicContact CG2-CG1 3.82Å; T1328-I1426 WeakPolarHBondContact OG1-CD1 3.31Å; I1424-I1426 PolarHBondContact O-N 3.07Å; I1426-Y1429 PolarHBondContact O-N 3.15Å; I1426-L1430 HydrophobicContact CG2-CD1 3.8Å; I1426-L1430 HydrophobicContact CG2-CG 4.11Å; I1426-L1430 WeakPolarHBondContact O-CB 3.22Å; I1426-L1430 VanDerWaalsContact O-CG 3.27Å; I1426-L1430 WeakPolarHBondContact O-CG 3.46Å; I1426-L1430 PolarHBondContact O-N 2.76Å; I1426-E1446 HydrophobicContact CD1-CB 3.85Å; I1426-E1446 HydrophobicContact CD1-CG 3.9Å; I1426-W1500 HydrophobicContact CB-CZ2 3.98Å; I1426-W1500 HydrophobicContact CD1-CZ2 4.23Å; I1426-W1500 HydrophobicContact CG2-CD2 4.17Å; I1426-W1500 HydrophobicContact CG2-CH2 4.34Å; I1426-W1500 HydrophobicContact CG2-CZ2 3.92Å |
| 1427 | S | 84.1 | Confident | 78.1 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -47.2 | -175.1 | 76 | 0 | 0 | 0 | 0 | 110.9 | D1425 L1431 | D1425-S1427 PolarHBondContact O-N 3.12Å; D1425-S1427 WeakPolarHBondContact OD1-CB 3.44Å; D1425-S1427 PolarHBondContact OD1-N 3.48Å; D1425-S1427 PolarHBondContact OD1-OG 3.18Å; D1425-S1427 PolarHBondContact OD2-OG 3.02Å; S1427-L1431 WeakPolarHBondContact O-CG 3.46Å; S1427-L1431 PolarHBondContact O-N 2.91Å; S1427-L1431 VanDerWaalsContact O-N 3.12Å |
| 1428 | N | 81.7 | Confident | 77.8 | Confident | 78 Ų | 78 | 47.4 Ų | 47.4 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71 | -34.6 | 174.8 | -85.2 | -58 | 0 | 0 | 0 | 112.4 | D1425 N1432 | D1425-N1428 HydrophobicContact CB-CB 4.42Å; D1425-N1428 PolarHBondContact O-N 3.3Å; D1425-N1428 PolarHBondContact OD1-N 2.87Å; D1425-N1428 PolarHBondContact OD2-ND2 3.17Å; N1428-N1432 WeakPolarHBondContact O-CB 3.48Å; N1428-N1432 VanDerWaalsContact O-CG 3.27Å; N1428-N1432 PolarHBondContact O-N 3.21Å; N1428-N1432 PolarHBondContact O-ND2 2.94Å |
| 1429 | Y | 83.8 | Confident | 77.1 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 174.1 | 179.2 | -89.7 | 0 | 0 | 0 | 111.8 | Y1407 L1421 I1424 D1425 I1426 N1432 H1433 L1437 | Y1407-Y1429 HydrophobicContact CD2-CE2 4.45Å; Y1407-Y1429 HydrophobicContact CE2-CE2 4.06Å; L1421-Y1429 HydrophobicContact CD1-CD1 3.67Å; L1421-Y1429 HydrophobicContact CD1-CE1 3.48Å; L1421-Y1429 VanDerWaalsContact CD1-CE1 3.48Å; L1421-Y1429 HydrophobicContact CD1-CG 4.37Å; L1421-Y1429 HydrophobicContact CD2-CD2 4.39Å; L1421-Y1429 HydrophobicContact CD2-CE1 4.11Å; L1421-Y1429 HydrophobicContact CD2-CE2 3.93Å; L1421-Y1429 HydrophobicContact CG-CE1 4.48Å; I1424-Y1429 HydrophobicContact CG2-CD2 4.47Å; D1425-Y1429 WeakPolarHBondContact O-CB 3.19Å; D1425-Y1429 PolarHBondContact O-N 3.37Å; I1426-Y1429 PolarHBondContact O-N 3.15Å; Y1429-N1432 PolarHBondContact O-N 3.29Å; Y1429-H1433 AromaticContact CD2-CE1 3.54Å; Y1429-H1433 AromaticContact CD2-ND1 3.42Å; Y1429-H1433 WeakPolarHBondContact CD2-ND1 3.13Å; Y1429-H1433 AromaticContact CE2-CE1 3.52Å; Y1429-H1433 AromaticContact CE2-ND1 3.45Å; Y1429-H1433 WeakPolarHBondContact CE2-ND1 3.47Å; Y1429-H1433 AromaticContact CG-ND1 3.81Å; Y1429-H1433 AromaticContact CZ-ND1 3.86Å; Y1429-H1433 PolarHBondContact O-N 2.89Å; Y1429-H1433 PolarHBondContact O-ND1 2.69Å; Y1429-L1437 HydrophobicContact CD1-CD1 4.48Å; Y1429-L1437 HydrophobicContact CE1-CD1 3.76Å |
| 1430 | L | 83.8 | Confident | 76.7 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 179 | -71.7 | 175.5 | 0 | 0 | 0 | 112 | F578 P579 F1326 I1426 S1434 M1441 W1500 | F578-L1430 HydrophobicContact CD1-CD1 3.85Å; F578-L1430 HydrophobicContact CD2-CD1 4.26Å; F578-L1430 HydrophobicContact CD2-CD2 4.23Å; F578-L1430 HydrophobicContact CE1-CD1 3.99Å; F578-L1430 HydrophobicContact CE2-CD1 4.4Å; F578-L1430 HydrophobicContact CE2-CD2 3.82Å; F578-L1430 HydrophobicContact CG-CD1 3.99Å; F578-L1430 HydrophobicContact CZ-CD1 4.26Å; F578-L1430 HydrophobicContact CZ-CD2 3.98Å; P579-L1430 HydrophobicContact CG-CB 4.29Å; F1326-L1430 HydrophobicContact CE1-CD2 4.29Å; I1426-L1430 HydrophobicContact CG2-CD1 3.8Å; I1426-L1430 HydrophobicContact CG2-CG 4.11Å; I1426-L1430 WeakPolarHBondContact O-CB 3.22Å; I1426-L1430 VanDerWaalsContact O-CG 3.27Å; I1426-L1430 WeakPolarHBondContact O-CG 3.46Å; I1426-L1430 PolarHBondContact O-N 2.76Å; L1430-S1434 VanDerWaalsContact O-CA 3.24Å; L1430-S1434 WeakPolarHBondContact O-CA 3.19Å; L1430-S1434 VanDerWaalsContact O-CB 3.28Å; L1430-S1434 WeakPolarHBondContact O-CB 3.14Å; L1430-S1434 PolarHBondContact O-N 3.01Å; L1430-M1441 HydrophobicContact CD2-SD 3.55Å; L1430-M1441 VanDerWaalsContact CD2-SD 3.55Å; L1430-W1500 HydrophobicContact CD1-CE3 4.09Å; L1430-W1500 HydrophobicContact CD1-CZ3 4.3Å |
| 1431 | L | 79.8 | Confident | 76.7 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -52.2 | 175 | -75.9 | 176.9 | 0 | 0 | 0 | 112.2 | F70 P579 T580 G581 S1427 H1433 S1434 | F70-L1431 HydrophobicContact CE1-CD1 3.78Å; F70-L1431 HydrophobicContact CE2-CD1 4.36Å; F70-L1431 HydrophobicContact CZ-CD1 3.48Å; F70-L1431 VanDerWaalsContact CZ-CD1 3.48Å; P579-L1431 HydrophobicContact CB-CD1 4.44Å; P579-L1431 HydrophobicContact CB-CD2 3.95Å; P579-L1431 HydrophobicContact CB-CG 4.07Å; P579-L1431 HydrophobicContact CG-CD2 4.12Å; P579-L1431 HydrophobicContact CG-CG 3.87Å; T580-L1431 VanDerWaalsContact C-CD2 3.43Å; G581-L1431 VanDerWaalsContact N-CD2 3.28Å; S1427-L1431 WeakPolarHBondContact O-CG 3.46Å; S1427-L1431 PolarHBondContact O-N 2.91Å; S1427-L1431 VanDerWaalsContact O-N 3.12Å; L1431-H1433 PolarHBondContact O-N 3.06Å; L1431-S1434 VanDerWaalsContact O-CB 3.27Å; L1431-S1434 WeakPolarHBondContact O-CB 3.38Å; L1431-S1434 PolarHBondContact O-N 3.33Å; L1431-S1434 PolarHBondContact O-OG 3.14Å |
| 1432 | N | 78.8 | Confident | 76.8 | Confident | 125 Ų | 125 | 52 Ų | 52 | 67% | 0.668 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.9 | -38.2 | -175.3 | -73.6 | -34.3 | 0 | 0 | 0 | 112.7 | N1428 Y1429 | N1428-N1432 WeakPolarHBondContact O-CB 3.48Å; N1428-N1432 VanDerWaalsContact O-CG 3.27Å; N1428-N1432 PolarHBondContact O-N 3.21Å; N1428-N1432 PolarHBondContact O-ND2 2.94Å; Y1429-N1432 PolarHBondContact O-N 3.29Å |
| 1433 | H | 76.8 | Confident | 77.3 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -96.3 | 2.1 | -179 | -55.6 | 92.9 | 0 | 0 | 0 | 113.7 | Y1429 L1431 K1435 L1436 L1437 | Y1429-H1433 AromaticContact CD2-CE1 3.54Å; Y1429-H1433 AromaticContact CD2-ND1 3.42Å; Y1429-H1433 WeakPolarHBondContact CD2-ND1 3.13Å; Y1429-H1433 AromaticContact CE2-CE1 3.52Å; Y1429-H1433 AromaticContact CE2-ND1 3.45Å; Y1429-H1433 WeakPolarHBondContact CE2-ND1 3.47Å; Y1429-H1433 AromaticContact CG-ND1 3.81Å; Y1429-H1433 AromaticContact CZ-ND1 3.86Å; Y1429-H1433 PolarHBondContact O-N 2.89Å; Y1429-H1433 PolarHBondContact O-ND1 2.69Å; L1431-H1433 PolarHBondContact O-N 3.06Å; H1433-K1435 VanDerWaalsContact C-N 3.3Å; H1433-K1435 PolarHBondContact O-N 2.61Å; H1433-K1435 VanDerWaalsContact O-N 3.12Å; H1433-L1436 PolarHBondContact O-N 2.95Å; H1433-L1437 HydrophobicContact CB-CD1 3.61Å; H1433-L1437 HydrophobicContact CB-CG 3.95Å; H1433-L1437 PolarHBondContact O-N 2.82Å |
| 1434 | S | 74.3 | Confident | 78 | Confident | 46 Ų | 46 | 45 Ų | 45 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -43.3 | -49.6 | -175.7 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | L1430 L1431 L1436 L1437 F1438 | L1430-S1434 VanDerWaalsContact O-CA 3.24Å; L1430-S1434 WeakPolarHBondContact O-CA 3.19Å; L1430-S1434 VanDerWaalsContact O-CB 3.28Å; L1430-S1434 WeakPolarHBondContact O-CB 3.14Å; L1430-S1434 PolarHBondContact O-N 3.01Å; L1431-S1434 VanDerWaalsContact O-CB 3.27Å; L1431-S1434 WeakPolarHBondContact O-CB 3.38Å; L1431-S1434 PolarHBondContact O-N 3.33Å; L1431-S1434 PolarHBondContact O-OG 3.14Å; S1434-L1436 VanDerWaalsContact C-N 3.31Å; S1434-L1436 PolarHBondContact O-N 2.88Å; S1434-L1437 PolarHBondContact O-N 2.8Å; S1434-F1438 VanDerWaalsContact O-CB 3.3Å; S1434-F1438 WeakPolarHBondContact O-CB 3.49Å; S1434-F1438 PolarHBondContact O-N 2.79Å |
| 1435 | K | 68.1 | Low | 78.7 | Confident | 199 Ų | 199 | 44 Ų | 44 | 87% | 0.865 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.4 | -32.9 | -179 | -67.1 | -177.6 | -179.6 | 176.9 | 0 | 114.2 | H1433 | H1433-K1435 VanDerWaalsContact C-N 3.3Å; H1433-K1435 PolarHBondContact O-N 2.61Å; H1433-K1435 VanDerWaalsContact O-N 3.12Å |
| 1436 | L | 70.1 | Confident | 79.1 | Confident | 77 Ų | 77 | 40.5 Ų | 40.5 | 40% | 0.403 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -85.2 | -45.3 | -179.3 | -173.1 | 152.6 | 0 | 0 | 0 | 110.6 | Y1401 F1403 H1433 S1434 F1438 | Y1401-L1436 HydrophobicContact CD1-CD2 3.71Å; Y1401-L1436 HydrophobicContact CE1-CD2 3.96Å; F1403-L1436 HydrophobicContact CE2-CD1 3.79Å; F1403-L1436 HydrophobicContact CZ-CD1 4.23Å; H1433-L1436 PolarHBondContact O-N 2.95Å; S1434-L1436 VanDerWaalsContact C-N 3.31Å; S1434-L1436 PolarHBondContact O-N 2.88Å; L1436-F1438 VanDerWaalsContact C-N 3.28Å; L1436-F1438 PolarHBondContact O-N 2.92Å |
| 1437 | L | 72.5 | Confident | 79.1 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.5 | -19.1 | -179 | -61.6 | 176.5 | 0 | 0 | 0 | 113.1 | Y1429 H1433 S1434 K1439 S1440 M1441 | Y1429-L1437 HydrophobicContact CD1-CD1 4.48Å; Y1429-L1437 HydrophobicContact CE1-CD1 3.76Å; H1433-L1437 HydrophobicContact CB-CD1 3.61Å; H1433-L1437 HydrophobicContact CB-CG 3.95Å; H1433-L1437 PolarHBondContact O-N 2.82Å; S1434-L1437 PolarHBondContact O-N 2.8Å; L1437-K1439 PolarHBondContact O-N 2.97Å; L1437-S1440 PolarHBondContact O-N 2.85Å; L1437-M1441 HydrophobicContact CB-CB 4.03Å; L1437-M1441 HydrophobicContact CD1-CE 4.02Å; L1437-M1441 HydrophobicContact CD1-SD 3.94Å; L1437-M1441 HydrophobicContact CD2-CE 4.11Å; L1437-M1441 PolarHBondContact O-N 3.48Å |
| 1438 | F | 69.9 | Low | 78.7 | Confident | 55 Ų | 55 | 42 Ų | 42 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -33.1 | -175.9 | -163.6 | -94.4 | 0 | 0 | 0 | 115.3 | S1434 L1436 R1504 | S1434-F1438 VanDerWaalsContact O-CB 3.3Å; S1434-F1438 WeakPolarHBondContact O-CB 3.49Å; S1434-F1438 PolarHBondContact O-N 2.79Å; L1436-F1438 VanDerWaalsContact C-N 3.28Å; L1436-F1438 PolarHBondContact O-N 2.92Å; F1438-R1504 VanDerWaalsContact CD2-NH1 3.27Å; F1438-R1504 VanDerWaalsContact CE2-NH1 3.34Å; F1438-R1504 VanDerWaalsContact CG-NH1 3.31Å; F1438-R1504 PolarHBondContact O-NH1 3.47Å |
| 1439 | K | 65.2 | Low | 78.2 | Confident | 111 Ų | 111 | 40.9 Ų | 40.9 | 48% | 0.483 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -15 | -177.4 | -73.6 | -170.7 | 177.8 | -178.6 | 0 | 114.3 | D769 L1437 | D769-K1439 PolarHBondContact O-NZ 3.33Å; L1437-K1439 PolarHBondContact O-N 2.97Å |
| 1440 | S | 72 | Confident | 77.3 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -24.6 | -171.3 | 57.2 | 0 | 0 | 0 | 0 | 115.7 | F1323 V1324 L1437 | F1323-S1440 WeakPolarHBondContact CA-O 3.23Å; V1324-S1440 WeakPolarHBondContact CG2-OG 3.18Å; V1324-S1440 PolarHBondContact N-O 2.96Å; L1437-S1440 PolarHBondContact O-N 2.85Å |
| 1441 | M | 83.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -101.1 | 136.6 | -179.6 | -173 | 177.7 | -77.4 | 0 | 0 | 111.8 | F578 V1324 F1326 L1419 L1430 L1437 R1504 | F578-M1441 HydrophobicContact CE2-CG 3.9Å; F578-M1441 HydrophobicContact CE2-SD 4.04Å; F578-M1441 HydrophobicContact CZ-CG 3.83Å; F578-M1441 HydrophobicContact CZ-SD 3.96Å; V1324-M1441 HydrophobicContact CB-CB 4.46Å; V1324-M1441 HydrophobicContact CB-CE 4.41Å; V1324-M1441 HydrophobicContact CG1-CE 3.67Å; V1324-M1441 WeakPolarHBondContact O-CA 3.38Å; V1324-M1441 WeakPolarHBondContact O-CB 3.27Å; V1324-M1441 WeakPolarHBondContact O-CG 3.43Å; F1326-M1441 HydrophobicContact CB-CE 4.35Å; F1326-M1441 HydrophobicContact CD1-CE 3.76Å; F1326-M1441 HydrophobicContact CD1-SD 3.71Å; F1326-M1441 HydrophobicContact CE1-SD 4Å; F1326-M1441 HydrophobicContact CG-CE 4.49Å; L1419-M1441 HydrophobicContact CD1-CE 4.33Å; L1430-M1441 HydrophobicContact CD2-SD 3.55Å; L1430-M1441 VanDerWaalsContact CD2-SD 3.55Å; L1437-M1441 HydrophobicContact CB-CB 4.03Å; L1437-M1441 HydrophobicContact CD1-CE 4.02Å; L1437-M1441 HydrophobicContact CD1-SD 3.94Å; L1437-M1441 HydrophobicContact CD2-CE 4.11Å; L1437-M1441 PolarHBondContact O-N 3.48Å; M1441-R1504 PolarHBondContact O-NH2 2.83Å | ||
| 1442 | Y | 83.9 | Confident | 74.7 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | trans | -136 | -6.2 | -178.5 | -79.8 | -82.9 | 0 | 0 | 0 | 114.3 | R516 M1314 F1323 D1502 T1508 | R516-Y1442 PolarHBondContact NH1-OH 3.05Å; M1314-Y1442 HydrophobicContact CB-CD2 4.41Å; M1314-Y1442 HydrophobicContact CB-CE2 4.21Å; M1314-Y1442 HydrophobicContact SD-CD1 4.27Å; M1314-Y1442 HydrophobicContact SD-CG 4.15Å; F1323-Y1442 AromaticContact CD1-CD2 3.93Å; F1323-Y1442 HydrophobicContact CD1-CD2 3.93Å; F1323-Y1442 HydrophobicContact CD1-CE2 4.41Å; F1323-Y1442 AromaticContact CE1-CD2 3.84Å; F1323-Y1442 HydrophobicContact CE1-CD2 3.84Å; F1323-Y1442 HydrophobicContact CE1-CE2 4.06Å; Y1442-D1502 PolarHBondContact O-N 2.94Å; Y1442-T1508 HydrophobicContact CD1-CG2 3.86Å; Y1442-T1508 HydrophobicContact CG-CG2 4.36Å | ||
| 1443 | G | 87.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | 176 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1500 Y1512 | G1443-W1500 CarbonylContact C-O 3.54Å; G1443-W1500 WeakPolarHBondContact CA-O 3.44Å; G1443-Y1512 PolarHBondContact N-OH 2.93Å; G1443-Y1512 PolarHBondContact O-OH 2.63Å |
| 1444 | G | 88 | Confident | 72.8 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1326 W1500 | F1326-G1444 CarbonylContact O-C 3.6Å; F1326-G1444 WeakPolarHBondContact O-CA 3.48Å; G1444-W1500 PolarHBondContact N-O 3.32Å; G1444-W1500 PolarHBondContact O-N 3.41Å |
| 1445 | I | 88.4 | Confident | 72 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.2 | -173.8 | -55.9 | 177 | 0 | 0 | 0 | 110.4 | F1326 Y1327 T1328 L1358 L1447 I1497 L1515 L1516 | F1326-I1445 PolarHBondContact O-N 3.41Å; Y1327-I1445 CarbonylContact C-O 3.56Å; Y1327-I1445 WeakPolarHBondContact CA-O 3.46Å; T1328-I1445 PolarHBondContact N-O 3.18Å; L1358-I1445 HydrophobicContact CD2-CD1 4.42Å; I1445-L1447 HydrophobicContact CG2-CD2 3.99Å; I1445-I1497 HydrophobicContact CG2-CG2 3.56Å; I1445-L1515 HydrophobicContact CD1-CD2 3.89Å; I1445-L1516 HydrophobicContact CD1-CD1 4.46Å |
| 1446 | E | 86.5 | Confident | 71.6 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.7 | 174.5 | 166.1 | 174.8 | -146.6 | 0 | 0 | 110 | T1328 I1426 K1448 R1498 W1500 | T1328-E1446 VanDerWaalsContact OG1-CA 3.31Å; T1328-E1446 WeakPolarHBondContact OG1-CA 3.41Å; T1328-E1446 VanDerWaalsContact OG1-CB 3.27Å; T1328-E1446 WeakPolarHBondContact OG1-CB 3.21Å; T1328-E1446 WeakPolarHBondContact OG1-CG 3.47Å; I1426-E1446 HydrophobicContact CD1-CB 3.85Å; I1426-E1446 HydrophobicContact CD1-CG 3.9Å; E1446-K1448 HydrophobicContact CG-CG 4.09Å; E1446-K1448 VanDerWaalsContact OE1-CE 3.29Å; E1446-K1448 WeakPolarHBondContact OE1-CE 3.31Å; E1446-K1448 IonicContact OE1-NZ 3.56Å; E1446-K1448 PolarHBondContact OE1-NZ 2.91Å; E1446-K1448 WeakPolarHBondContact OE2-CE 3.44Å; E1446-K1448 IonicContact OE2-NZ 2.78Å; E1446-R1498 HydrophobicContact CB-CB 4.15Å; E1446-R1498 HydrophobicContact CG-CB 4.47Å; E1446-R1498 PolarHBondContact N-O 3.1Å; E1446-R1498 PolarHBondContact O-N 3.38Å; E1446-R1498 IonicContact OE1-NH1 3.82Å; E1446-R1498 WeakPolarHBondContact OE2-CD 3.28Å; E1446-R1498 IonicContact OE2-CZ 3.35Å; E1446-R1498 IonicContact OE2-NE 3.27Å; E1446-R1498 IonicContact OE2-NH1 3.41Å; E1446-R1498 PolarHBondContact OE2-NH1 2.92Å; E1446-W1500 PolarHBondContact OE2-NE1 3.48Å |
| 1447 | L | 83.4 | Confident | 71.1 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.4 | -180 | -57.2 | 174.8 | 0 | 0 | 0 | 110 | T1328 T1329 F1345 I1352 I1445 I1497 | T1328-L1447 WeakPolarHBondContact O-CB 3.48Å; T1328-L1447 PolarHBondContact O-N 2.87Å; T1329-L1447 HydrophobicContact CG2-CB 4.13Å; T1329-L1447 HydrophobicContact CG2-CD1 3.99Å; F1345-L1447 HydrophobicContact CD1-CB 4.11Å; F1345-L1447 HydrophobicContact CD1-CD1 4.15Å; F1345-L1447 HydrophobicContact CD1-CD2 4.45Å; F1345-L1447 HydrophobicContact CD1-CG 4.47Å; F1345-L1447 HydrophobicContact CE1-CB 3.94Å; F1345-L1447 HydrophobicContact CE1-CD2 4.17Å; F1345-L1447 HydrophobicContact CE1-CG 4.46Å; I1352-L1447 HydrophobicContact CD1-CD1 4.4Å; I1445-L1447 HydrophobicContact CG2-CD2 3.99Å; L1447-I1497 HydrophobicContact CD2-CB 4.41Å; L1447-I1497 HydrophobicContact CD2-CD1 4.14Å; L1447-I1497 HydrophobicContact CD2-CG1 3.81Å; L1447-I1497 HydrophobicContact CD2-CG2 3.99Å |
| 1448 | K | 74.9 | Confident | 70.7 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.2 | -173.6 | -69.7 | -172.2 | 179.7 | -59.4 | 0 | 113 | N1330 F1345 E1446 I1496 | N1330-K1448 PolarHBondContact ND2-NZ 2.8Å; F1345-K1448 WeakPolarHBondContact CZ-O 3.04Å; E1446-K1448 HydrophobicContact CG-CG 4.09Å; E1446-K1448 VanDerWaalsContact OE1-CE 3.29Å; E1446-K1448 WeakPolarHBondContact OE1-CE 3.31Å; E1446-K1448 IonicContact OE1-NZ 3.56Å; E1446-K1448 PolarHBondContact OE1-NZ 2.91Å; E1446-K1448 WeakPolarHBondContact OE2-CE 3.44Å; E1446-K1448 IonicContact OE2-NZ 2.78Å; K1448-I1496 HydrophobicContact CB-CB 3.95Å; K1448-I1496 HydrophobicContact CB-CG2 4.15Å; K1448-I1496 HydrophobicContact CD-CG2 4.41Å; K1448-I1496 PolarHBondContact N-O 3.22Å; K1448-I1496 PolarHBondContact O-N 2.82Å; K1448-I1496 VanDerWaalsContact O-O 3.14Å |
| 1449 | F | 70.9 | Confident | 70.4 | Confident | 54 Ų | 54 | 45.4 Ų | 45.4 | 24% | 0.237 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152.5 | 165.9 | -174.1 | -123.1 | 0 | 0 | 0 | 108.9 | E1341 F1345 E1451 L1494 | E1341-F1449 WeakPolarHBondContact OE2-CE2 3.33Å; F1345-F1449 HydrophobicContact CE2-CB 4.44Å; F1449-E1451 HydrophobicContact CD1-CG 3.94Å; F1449-E1451 HydrophobicContact CE1-CG 3.65Å; F1449-L1494 HydrophobicContact CE2-CB 4.04Å |
| 1450 | N | 64.5 | Low | 70.5 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 18% | 0.176 | 20% | 0.204 | C | C | . | . | trans | -145.5 | 91.1 | -175.9 | -170.3 | 24.5 | 0 | 0 | 0 | 112.5 | V105 K1452 Y1453 L1494 | V105-N1450 WeakPolarHBondContact CG1-ND2 3.45Å; N1450-K1452 PolarHBondContact O-N 3Å; N1450-K1452 VanDerWaalsContact O-N 3.08Å; N1450-Y1453 WeakPolarHBondContact ND2-CD2 3.45Å; N1450-L1494 PolarHBondContact N-O 3.31Å | ||
| 1451 | E | 55.5 | Low | 70.2 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22 | -172.3 | -64.7 | 147.7 | 168.3 | 0 | 0 | 115.1 | N1333 F1449 Y1453 | N1333-E1451 WeakPolarHBondContact CB-OE1 3.42Å; N1333-E1451 PolarHBondContact ND2-OE2 2.86Å; F1449-E1451 HydrophobicContact CD1-CG 3.94Å; F1449-E1451 HydrophobicContact CE1-CG 3.65Å; E1451-Y1453 PolarHBondContact O-N 3.02Å |
| 1452 | K | 54.3 | Low | 69.3 | Low | 176 Ų | 176 | 48.1 Ų | 48.1 | 77% | 0.765 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 15.7 | -161.8 | -67.3 | -167.9 | 172.8 | -173 | 0 | 116.3 | N1450 | N1450-K1452 PolarHBondContact O-N 3Å; N1450-K1452 VanDerWaalsContact O-N 3.08Å |
| 1453 | Y | 58.1 | Low | 68.6 | Low | 48 Ų | 48 | 49.5 Ų | 49.5 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | trans | -127.8 | 61.9 | -176.5 | -75.1 | -77.4 | 0 | 0 | 0 | 114.6 | V105 N108 N1450 E1451 L1455 | V105-Y1453 HydrophobicContact CG1-CD2 4.42Å; V105-Y1453 HydrophobicContact CG1-CE2 4.25Å; V105-Y1453 WeakPolarHBondContact O-CE2 3.3Å; V105-Y1453 PolarHBondContact O-OH 2.89Å; N108-Y1453 HydrophobicContact CB-CE1 4.46Å; N108-Y1453 WeakPolarHBondContact CB-OH 3.36Å; N1450-Y1453 WeakPolarHBondContact ND2-CD2 3.45Å; E1451-Y1453 PolarHBondContact O-N 3.02Å; Y1453-L1455 PolarHBondContact O-N 3.39Å | ||
| 1454 | Q | 56.8 | Low | 67.6 | Low | 143 Ų | 143 | 55.4 Ų | 55.4 | 67% | 0.668 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -6.5 | 165.4 | -68.7 | -174.3 | -15.3 | 0 | 0 | 113.9 | N1456 N1457 Q1458 | Q1454-N1456 PolarHBondContact O-N 2.92Å; Q1454-N1457 PolarHBondContact O-N 3.4Å; Q1454-Q1458 PolarHBondContact O-N 2.93Å |
| 1455 | L | 57.5 | Low | 66.5 | Low | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -49.5 | -30.9 | -175.1 | -167.7 | 147.8 | 0 | 0 | 0 | 113.9 | D118 Y1453 Q1458 L1459 L1491 | D118-L1455 HydrophobicContact CB-CD1 4.39Å; Y1453-L1455 PolarHBondContact O-N 3.39Å; L1455-Q1458 PolarHBondContact O-N 3Å; L1455-L1459 HydrophobicContact CD2-CB 4.4Å; L1455-L1459 HydrophobicContact CD2-CD1 3.73Å; L1455-L1459 WeakPolarHBondContact O-CB 3.48Å; L1455-L1459 PolarHBondContact O-N 3.32Å; L1455-L1491 HydrophobicContact CD2-CD1 3.74Å; L1455-L1491 HydrophobicContact CD2-CD2 3.86Å; L1455-L1491 HydrophobicContact CD2-CG 4.49Å |
| 1456 | N | 59.9 | Low | 65.4 | Low | 34 Ų | 34 | 62.3 Ų | 62.3 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.8 | -169.4 | 42.5 | 0 | 0 | 0 | 112.9 | Q1454 Y1460 L1487 N1488 L1491 | Q1454-N1456 PolarHBondContact O-N 2.92Å; N1456-Y1460 VanDerWaalsContact O-CB 3.29Å; N1456-Y1460 WeakPolarHBondContact O-CB 3.45Å; N1456-Y1460 PolarHBondContact O-N 3.39Å; N1456-Y1460 VanDerWaalsContact O-N 3.11Å; N1456-L1487 VanDerWaalsContact OD1-CD2 3.22Å; N1456-L1487 WeakPolarHBondContact OD1-CD2 3.39Å; N1456-N1488 PolarHBondContact ND2-OD1 2.93Å; N1456-L1491 HydrophobicContact CB-CD1 3.8Å |
| 1457 | N | 61 | Low | 64.4 | Low | 108 Ų | 108 | 62.3 Ų | 62.3 | 58% | 0.578 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -74.5 | -37.9 | 178.9 | -71.4 | -2.5 | 0 | 0 | 0 | 111.8 | Q1454 N1461 | Q1454-N1457 PolarHBondContact O-N 3.4Å; N1457-N1461 WeakPolarHBondContact O-CB 3.46Å; N1457-N1461 VanDerWaalsContact O-CG 3.25Å; N1457-N1461 PolarHBondContact O-N 2.95Å; N1457-N1461 PolarHBondContact O-ND2 3.33Å |
| 1458 | Q | 63.5 | Low | 63.5 | Low | 33 Ų | 33 | 66.3 Ų | 66.3 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 179.6 | -64.6 | 173.9 | -77.2 | 0 | 0 | 111.7 | T121 D125 Q1454 L1455 N1461 L1462 | T121-Q1458 HydrophobicContact CG2-CB 4.23Å; D125-Q1458 PolarHBondContact OD2-NE2 3.49Å; Q1454-Q1458 PolarHBondContact O-N 2.93Å; L1455-Q1458 PolarHBondContact O-N 3Å; Q1458-N1461 PolarHBondContact O-N 2.99Å; Q1458-L1462 WeakPolarHBondContact O-CB 3.08Å; Q1458-L1462 PolarHBondContact O-N 2.7Å |
| 1459 | L | 64.2 | Low | 62.7 | Low | 39 Ų | 39 | 69.9 Ų | 69.9 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.6 | -35.4 | -179.7 | -151.8 | 160 | 0 | 0 | 0 | 111.1 | T121 L1455 L1462 L1463 | T121-L1459 HydrophobicContact CG2-CB 4.07Å; T121-L1459 HydrophobicContact CG2-CG 4.2Å; L1455-L1459 HydrophobicContact CD2-CB 4.4Å; L1455-L1459 HydrophobicContact CD2-CD1 3.73Å; L1455-L1459 WeakPolarHBondContact O-CB 3.48Å; L1455-L1459 PolarHBondContact O-N 3.32Å; L1459-L1462 PolarHBondContact O-N 3.15Å; L1459-L1463 HydrophobicContact CD2-CD1 3.48Å; L1459-L1463 VanDerWaalsContact CD2-CD1 3.48Å; L1459-L1463 HydrophobicContact CD2-CG 3.88Å; L1459-L1463 WeakPolarHBondContact O-CG 3.5Å; L1459-L1463 PolarHBondContact O-N 2.93Å |
| 1460 | Y | 65.9 | Low | 62.3 | Low | 72 Ų | 72 | 68.4 Ų | 68.4 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.8 | -51.1 | 165.7 | 175.2 | -86.7 | 0 | 0 | 0 | 111.4 | N1456 L1462 L1463 Y1464 L1483 N1484 L1487 | N1456-Y1460 VanDerWaalsContact O-CB 3.29Å; N1456-Y1460 WeakPolarHBondContact O-CB 3.45Å; N1456-Y1460 PolarHBondContact O-N 3.39Å; N1456-Y1460 VanDerWaalsContact O-N 3.11Å; Y1460-L1462 VanDerWaalsContact C-N 3.35Å; Y1460-L1462 PolarHBondContact O-N 3.09Å; Y1460-L1463 PolarHBondContact O-N 3.49Å; Y1460-Y1464 WeakPolarHBondContact O-CB 3.5Å; Y1460-Y1464 PolarHBondContact O-N 2.8Å; Y1460-L1483 HydrophobicContact CD2-CB 4.19Å; Y1460-L1483 HydrophobicContact CD2-CD2 4.35Å; Y1460-L1483 WeakPolarHBondContact CD2-O 3.44Å; Y1460-L1483 HydrophobicContact CE2-CB 3.86Å; Y1460-L1483 WeakPolarHBondContact CE2-O 3.44Å; Y1460-N1484 PolarHBondContact OH-OD1 3.45Å; Y1460-L1487 HydrophobicContact CD2-CD1 4.41Å |
| 1461 | N | 65.6 | Low | 62.3 | Low | 73 Ų | 73 | 73.2 Ų | 73.2 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 179 | -76.1 | -19 | 0 | 0 | 0 | 112.7 | N1457 Q1458 K1465 | N1457-N1461 WeakPolarHBondContact O-CB 3.46Å; N1457-N1461 VanDerWaalsContact O-CG 3.25Å; N1457-N1461 PolarHBondContact O-N 2.95Å; N1457-N1461 PolarHBondContact O-ND2 3.33Å; Q1458-N1461 PolarHBondContact O-N 2.99Å; N1461-K1465 WeakPolarHBondContact O-CB 3.34Å; N1461-K1465 VanDerWaalsContact O-CG 3.24Å; N1461-K1465 WeakPolarHBondContact O-CG 3.21Å; N1461-K1465 PolarHBondContact O-N 3.21Å |
| 1462 | L | 65.1 | Low | 62.6 | Low | 34 Ų | 34 | 75.6 Ų | 75.6 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -52.6 | 177.1 | -170.2 | 168.4 | 0 | 0 | 0 | 111.2 | T121 A124 Q1458 L1459 Y1460 Y1464 K1465 L1466 | T121-L1462 HydrophobicContact CG2-CD1 4.03Å; A124-L1462 HydrophobicContact CB-CB 4.2Å; A124-L1462 HydrophobicContact CB-CD1 3.57Å; A124-L1462 HydrophobicContact CB-CG 3.73Å; Q1458-L1462 WeakPolarHBondContact O-CB 3.08Å; Q1458-L1462 PolarHBondContact O-N 2.7Å; L1459-L1462 PolarHBondContact O-N 3.15Å; Y1460-L1462 VanDerWaalsContact C-N 3.35Å; Y1460-L1462 PolarHBondContact O-N 3.09Å; L1462-Y1464 VanDerWaalsContact C-N 3.34Å; L1462-Y1464 PolarHBondContact O-N 3.1Å; L1462-K1465 PolarHBondContact O-N 2.88Å; L1462-L1466 HydrophobicContact CD2-CD1 3.65Å; L1462-L1466 HydrophobicContact CD2-CG 4.27Å; L1462-L1466 PolarHBondContact O-N 3.5Å; L1462-L1466 VanDerWaalsContact O-N 3.09Å |
| 1463 | L | 68 | Low | 63.1 | Low | 31 Ų | 31 | 67.8 Ų | 67.8 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.8 | -34.4 | -179.9 | -68.4 | 176.4 | 0 | 0 | 0 | 112.4 | L1459 Y1460 L1466 T1467 W1479 F1482 L1483 L1487 | L1459-L1463 HydrophobicContact CD2-CD1 3.48Å; L1459-L1463 VanDerWaalsContact CD2-CD1 3.48Å; L1459-L1463 HydrophobicContact CD2-CG 3.88Å; L1459-L1463 WeakPolarHBondContact O-CG 3.5Å; L1459-L1463 PolarHBondContact O-N 2.93Å; Y1460-L1463 PolarHBondContact O-N 3.49Å; L1463-L1466 HydrophobicContact CD2-CD1 4.4Å; L1463-L1466 PolarHBondContact O-N 3.18Å; L1463-T1467 WeakPolarHBondContact O-CG2 3.34Å; L1463-T1467 PolarHBondContact O-N 2.91Å; L1463-W1479 HydrophobicContact CB-CZ2 4.31Å; L1463-W1479 HydrophobicContact CD2-CH2 4.41Å; L1463-W1479 HydrophobicContact CD2-CZ2 4.11Å; L1463-F1482 HydrophobicContact CD1-CE1 4.17Å; L1463-L1483 HydrophobicContact CB-CD2 3.68Å; L1463-L1483 HydrophobicContact CD1-CD2 4.43Å; L1463-L1487 HydrophobicContact CD1-CD1 4.14Å |
| 1464 | Y | 68 | Low | 63.5 | Low | 124 Ų | 124 | 70.7 Ų | 70.7 | 49% | 0.486 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 173.8 | -174.6 | -95.2 | 0 | 0 | 0 | 111.7 | Y1460 L1462 L1466 T1467 L1483 | Y1460-Y1464 WeakPolarHBondContact O-CB 3.5Å; Y1460-Y1464 PolarHBondContact O-N 2.8Å; L1462-Y1464 VanDerWaalsContact C-N 3.34Å; L1462-Y1464 PolarHBondContact O-N 3.1Å; Y1464-L1466 VanDerWaalsContact C-N 3.31Å; Y1464-L1466 PolarHBondContact O-N 2.97Å; Y1464-T1467 PolarHBondContact O-N 3.41Å; Y1464-T1467 PolarHBondContact O-OG1 2.74Å; Y1464-L1483 HydrophobicContact CD2-CD1 4.14Å |
| 1465 | K | 65.1 | Low | 64 | Low | 78 Ų | 78 | 71.2 Ų | 71.2 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 173.8 | -75.6 | 170.6 | -173.4 | 178.2 | 0 | 111.5 | A124 N130 N1461 L1462 T1467 N1468 | A124-K1465 PolarHBondContact O-NZ 3.27Å; A124-K1465 VanDerWaalsContact O-NZ 3.17Å; N130-K1465 WeakPolarHBondContact OD1-CE 3.43Å; N130-K1465 PolarHBondContact OD1-NZ 3.05Å; N1461-K1465 WeakPolarHBondContact O-CB 3.34Å; N1461-K1465 VanDerWaalsContact O-CG 3.24Å; N1461-K1465 WeakPolarHBondContact O-CG 3.21Å; N1461-K1465 PolarHBondContact O-N 3.21Å; L1462-K1465 PolarHBondContact O-N 2.88Å; K1465-T1467 VanDerWaalsContact C-N 3.27Å; K1465-T1467 PolarHBondContact O-N 3.29Å; K1465-N1468 PolarHBondContact O-N 3.47Å |
| 1466 | L | 64.5 | Low | 64.5 | Low | 86 Ų | 86 | 71.3 Ų | 71.3 | 45% | 0.45 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -29.1 | 178.9 | -75.4 | 174.2 | 0 | 0 | 0 | 114.1 | L1462 L1463 Y1464 N1468 Y1469 | L1462-L1466 HydrophobicContact CD2-CD1 3.65Å; L1462-L1466 HydrophobicContact CD2-CG 4.27Å; L1462-L1466 PolarHBondContact O-N 3.5Å; L1462-L1466 VanDerWaalsContact O-N 3.09Å; L1463-L1466 HydrophobicContact CD2-CD1 4.4Å; L1463-L1466 PolarHBondContact O-N 3.18Å; Y1464-L1466 VanDerWaalsContact C-N 3.31Å; Y1464-L1466 PolarHBondContact O-N 2.97Å; L1466-N1468 PolarHBondContact O-N 3.44Å; L1466-N1468 VanDerWaalsContact O-N 3.1Å; L1466-Y1469 PolarHBondContact O-N 2.91Å; L1466-Y1469 VanDerWaalsContact O-N 3.14Å |
| 1467 | T | 65.3 | Low | 65.1 | Low | 12 Ų | 12 | 77.7 Ų | 77.7 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -61.7 | -19.6 | 177.5 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | L1463 Y1464 K1465 Y1469 K1474 W1479 L1483 | L1463-T1467 WeakPolarHBondContact O-CG2 3.34Å; L1463-T1467 PolarHBondContact O-N 2.91Å; Y1464-T1467 PolarHBondContact O-N 3.41Å; Y1464-T1467 PolarHBondContact O-OG1 2.74Å; K1465-T1467 VanDerWaalsContact C-N 3.27Å; K1465-T1467 PolarHBondContact O-N 3.29Å; T1467-Y1469 VanDerWaalsContact C-N 3.27Å; T1467-Y1469 PolarHBondContact O-N 3.05Å; T1467-K1474 WeakPolarHBondContact O-CB 3.23Å; T1467-W1479 VanDerWaalsContact CG2-CD1 3.48Å; T1467-L1483 HydrophobicContact CG2-CD1 4.31Å |
| 1468 | N | 64.1 | Low | 65.5 | Low | 89 Ų | 89 | 74.3 Ų | 74.3 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -74.5 | -17.5 | 179.4 | -70.7 | -50.2 | 0 | 0 | 0 | 113.1 | K1465 L1466 K1474 | K1465-N1468 PolarHBondContact O-N 3.47Å; L1466-N1468 PolarHBondContact O-N 3.44Å; L1466-N1468 VanDerWaalsContact O-N 3.1Å; N1468-K1474 PolarHBondContact OD1-NZ 3.43Å |
| 1469 | Y | 59.9 | Low | 65.9 | Low | 110 Ų | 110 | 74.2 Ų | 74.2 | 43% | 0.431 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -93.2 | -7.8 | -173.6 | -70.6 | -85 | 0 | 0 | 0 | 114.7 | L133 L1466 T1467 | L133-Y1469 HydrophobicContact CD2-CE1 4.4Å; L133-Y1469 HydrophobicContact CD2-CE2 4.14Å; L133-Y1469 PolarHBondContact O-OH 2.93Å; L1466-Y1469 PolarHBondContact O-N 2.91Å; L1466-Y1469 VanDerWaalsContact O-N 3.14Å; T1467-Y1469 VanDerWaalsContact C-N 3.27Å; T1467-Y1469 PolarHBondContact O-N 3.05Å |
| 1470 | S | 62.4 | Low | 66.3 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | trans | -137 | 130.8 | 165.4 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | E1472 L1473 K1474 | S1470-E1472 PolarHBondContact O-N 3.06Å; S1470-L1473 PolarHBondContact O-N 2.89Å; S1470-L1473 WeakPolarHBondContact OG-CB 3.49Å; S1470-L1473 WeakPolarHBondContact OG-CD1 3.33Å; S1470-L1473 VanDerWaalsContact OG-CG 3.27Å; S1470-L1473 WeakPolarHBondContact OG-CG 3.48Å; S1470-K1474 PolarHBondContact O-N 2.92Å | ||
| 1471 | I | 63.2 | Low | 66.6 | Low | 133 Ų | 133 | 78 Ų | 78 | 68% | 0.682 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.2 | -33.6 | -178.2 | -63.4 | 169.5 | 0 | 0 | 0 | 110.5 | K1474 Q1475 | I1471-K1474 PolarHBondContact O-N 3.06Å; I1471-Q1475 WeakPolarHBondContact O-CG 3.16Å; I1471-Q1475 PolarHBondContact O-N 2.81Å |
| 1472 | E | 62.8 | Low | 67 | Low | 126 Ų | 126 | 75.3 Ų | 75.3 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.8 | -48.5 | -179 | -66.3 | 161.7 | 163.6 | 0 | 0 | 112.1 | S1470 K1474 Q1475 S1476 | S1470-E1472 PolarHBondContact O-N 3.06Å; E1472-K1474 VanDerWaalsContact C-N 3.31Å; E1472-K1474 PolarHBondContact O-N 3.04Å; E1472-Q1475 PolarHBondContact O-N 3.47Å; E1472-S1476 PolarHBondContact O-N 3.29Å |
| 1473 | L | 63.8 | Low | 67.2 | Low | 12 Ų | 12 | 73.9 Ų | 73.9 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.3 | -71.3 | 179.4 | 0 | 0 | 0 | 111.9 | L327 S1470 Q1475 S1476 W1479 | L327-L1473 HydrophobicContact CD2-CD1 4.18Å; S1470-L1473 PolarHBondContact O-N 2.89Å; S1470-L1473 WeakPolarHBondContact OG-CB 3.49Å; S1470-L1473 WeakPolarHBondContact OG-CD1 3.33Å; S1470-L1473 VanDerWaalsContact OG-CG 3.27Å; S1470-L1473 WeakPolarHBondContact OG-CG 3.48Å; L1473-Q1475 VanDerWaalsContact C-N 3.28Å; L1473-Q1475 PolarHBondContact O-N 3.4Å; L1473-S1476 WeakPolarHBondContact O-CB 3.43Å; L1473-S1476 PolarHBondContact O-N 2.67Å; L1473-S1476 VanDerWaalsContact O-N 3.13Å; L1473-W1479 HydrophobicContact CD2-CD2 4.34Å; L1473-W1479 HydrophobicContact CD2-CE3 4.01Å; L1473-W1479 HydrophobicContact CD2-CZ3 4.38Å |
| 1474 | K | 65.9 | Low | 67.3 | Low | 109 Ų | 109 | 76.4 Ų | 76.4 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -30.2 | -179 | -160.5 | 161.4 | 179.5 | 167.7 | 0 | 113.5 | T1467 N1468 S1470 I1471 E1472 Q1480 | T1467-K1474 WeakPolarHBondContact O-CB 3.23Å; N1468-K1474 PolarHBondContact OD1-NZ 3.43Å; S1470-K1474 PolarHBondContact O-N 2.92Å; I1471-K1474 PolarHBondContact O-N 3.06Å; E1472-K1474 VanDerWaalsContact C-N 3.31Å; E1472-K1474 PolarHBondContact O-N 3.04Å; K1474-Q1480 PolarHBondContact O-NE2 3.24Å |
| 1475 | Q | 68.6 | Low | 67.3 | Low | 154 Ų | 154 | 75.5 Ų | 75.5 | 72% | 0.72 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -85.6 | -11.3 | 176.1 | -67.4 | -176.9 | 7.3 | 0 | 0 | 113.4 | I1471 E1472 L1473 K1477 | I1471-Q1475 WeakPolarHBondContact O-CG 3.16Å; I1471-Q1475 PolarHBondContact O-N 2.81Å; E1472-Q1475 PolarHBondContact O-N 3.47Å; L1473-Q1475 VanDerWaalsContact C-N 3.28Å; L1473-Q1475 PolarHBondContact O-N 3.4Å; Q1475-K1477 PolarHBondContact O-N 3.07Å |
| 1476 | S | 67.9 | Low | 67.5 | Low | 16 Ų | 16 | 72.3 Ų | 72.3 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | trans | -71.7 | 100.1 | -178.4 | -176 | 0 | 0 | 0 | 0 | 112.1 | E1472 L1473 L1478 W1479 Q1480 | E1472-S1476 PolarHBondContact O-N 3.29Å; L1473-S1476 WeakPolarHBondContact O-CB 3.43Å; L1473-S1476 PolarHBondContact O-N 2.67Å; L1473-S1476 VanDerWaalsContact O-N 3.13Å; S1476-L1478 PolarHBondContact O-N 3.49Å; S1476-L1478 VanDerWaalsContact O-N 3.14Å; S1476-W1479 WeakPolarHBondContact O-CB 3.45Å; S1476-W1479 PolarHBondContact O-N 3.31Å; S1476-W1479 PolarHBondContact OG-N 2.96Å; S1476-Q1480 PolarHBondContact O-N 3.31Å | ||
| 1477 | K | 71.5 | Confident | 67.8 | Low | 168 Ų | 168 | 68.5 Ų | 68.5 | 73% | 0.73 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -54.1 | -29.5 | 169.9 | -173.9 | 175.6 | -178.2 | 177.8 | 0 | 112.4 | Q1475 Q1481 | Q1475-K1477 PolarHBondContact O-N 3.07Å; K1477-Q1481 WeakPolarHBondContact O-CB 3.36Å; K1477-Q1481 PolarHBondContact O-N 3.46Å |
| 1478 | L | 70.5 | Confident | 68 | Low | 37 Ų | 37 | 71.8 Ų | 71.8 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71 | -43.3 | 177.6 | -159 | 158.5 | 0 | 0 | 0 | 111.1 | Q318 L319 S1476 Q1481 F1482 | Q318-L1478 HydrophobicContact CB-CD1 3.56Å; Q318-L1478 HydrophobicContact CB-CD2 4.24Å; Q318-L1478 HydrophobicContact CG-CD1 4.29Å; L319-L1478 HydrophobicContact CD2-CD2 3.69Å; L319-L1478 HydrophobicContact CG-CD2 3.68Å; S1476-L1478 PolarHBondContact O-N 3.49Å; S1476-L1478 VanDerWaalsContact O-N 3.14Å; L1478-Q1481 PolarHBondContact O-N 3.3Å; L1478-F1482 WeakPolarHBondContact O-CB 3.28Å; L1478-F1482 PolarHBondContact O-N 2.94Å |
| 1479 | W | 72.5 | Confident | 68.5 | Low | 32 Ų | 32 | 68.2 Ų | 68.2 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 171.9 | -168 | -87 | 0 | 0 | 0 | 112.2 | L319 L1463 T1467 L1473 S1476 F1482 L1483 | L319-W1479 HydrophobicContact CD2-CD2 4.47Å; L319-W1479 HydrophobicContact CD2-CE3 3.52Å; L319-W1479 HydrophobicContact CD2-CZ3 4Å; L1463-W1479 HydrophobicContact CB-CZ2 4.31Å; L1463-W1479 HydrophobicContact CD2-CH2 4.41Å; L1463-W1479 HydrophobicContact CD2-CZ2 4.11Å; T1467-W1479 VanDerWaalsContact CG2-CD1 3.48Å; L1473-W1479 HydrophobicContact CD2-CD2 4.34Å; L1473-W1479 HydrophobicContact CD2-CE3 4.01Å; L1473-W1479 HydrophobicContact CD2-CZ3 4.38Å; S1476-W1479 WeakPolarHBondContact O-CB 3.45Å; S1476-W1479 PolarHBondContact O-N 3.31Å; S1476-W1479 PolarHBondContact OG-N 2.96Å; W1479-F1482 WeakPolarHBondContact O-CB 3.41Å; W1479-F1482 PolarHBondContact O-N 3.14Å; W1479-L1483 WeakPolarHBondContact O-CG 3.42Å; W1479-L1483 PolarHBondContact O-N 3.47Å |
| 1480 | Q | 72.6 | Confident | 69.2 | Low | 102 Ų | 102 | 64.3 Ų | 64.3 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 174.8 | -66.5 | 179.7 | 5.5 | 0 | 0 | 112.6 | K1474 S1476 N1484 | K1474-Q1480 PolarHBondContact O-NE2 3.24Å; S1476-Q1480 PolarHBondContact O-N 3.31Å; Q1480-N1484 WeakPolarHBondContact O-CB 3.44Å; Q1480-N1484 VanDerWaalsContact O-CG 3.27Å; Q1480-N1484 PolarHBondContact O-N 3.21Å |
| 1481 | Q | 71.9 | Confident | 69.5 | Low | 88 Ų | 88 | 64.6 Ų | 64.6 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.9 | 179.2 | 172.4 | -22.2 | 0 | 0 | 111.7 | N315 K1477 L1478 N1484 N1485 | N315-Q1481 PolarHBondContact ND2-NE2 3.02Å; N315-Q1481 VanDerWaalsContact ND2-NE2 3.12Å; K1477-Q1481 WeakPolarHBondContact O-CB 3.36Å; K1477-Q1481 PolarHBondContact O-N 3.46Å; L1478-Q1481 PolarHBondContact O-N 3.3Å; Q1481-N1484 PolarHBondContact O-N 2.73Å; Q1481-N1485 PolarHBondContact O-N 3.16Å |
| 1482 | F | 72.9 | Confident | 69.8 | Low | 16 Ų | 16 | 59.1 Ų | 59.1 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -58.2 | -50.5 | 176.8 | 173.2 | -108.6 | 0 | 0 | 0 | 111.9 | F316 L319 L1463 L1478 W1479 D1486 L1487 I1490 | F316-F1482 HydrophobicContact CD2-CE2 4.39Å; F316-F1482 AromaticContact CE1-CE2 4Å; F316-F1482 HydrophobicContact CE1-CE2 4Å; F316-F1482 HydrophobicContact CE1-CZ 4.26Å; F316-F1482 AromaticContact CE2-CE2 3.81Å; F316-F1482 HydrophobicContact CE2-CE2 3.81Å; F316-F1482 AromaticContact CZ-CE2 3.6Å; F316-F1482 HydrophobicContact CZ-CE2 3.6Å; F316-F1482 HydrophobicContact CZ-CZ 4.04Å; L319-F1482 HydrophobicContact CD1-CB 3.94Å; L319-F1482 HydrophobicContact CD1-CD1 3.95Å; L319-F1482 HydrophobicContact CD1-CD2 3.42Å; L319-F1482 VanDerWaalsContact CD1-CD2 3.42Å; L319-F1482 HydrophobicContact CD1-CE1 4.3Å; L319-F1482 HydrophobicContact CD1-CE2 3.81Å; L319-F1482 HydrophobicContact CD1-CG 3.49Å; L319-F1482 VanDerWaalsContact CD1-CG 3.49Å; L319-F1482 HydrophobicContact CD1-CZ 4.24Å; L1463-F1482 HydrophobicContact CD1-CE1 4.17Å; L1478-F1482 WeakPolarHBondContact O-CB 3.28Å; L1478-F1482 PolarHBondContact O-N 2.94Å; W1479-F1482 WeakPolarHBondContact O-CB 3.41Å; W1479-F1482 PolarHBondContact O-N 3.14Å; F1482-D1486 HydrophobicContact CD2-CB 4.1Å; F1482-D1486 PolarHBondContact O-N 2.77Å; F1482-L1487 PolarHBondContact O-N 2.98Å; F1482-I1490 HydrophobicContact CE2-CD1 3.89Å; F1482-I1490 HydrophobicContact CZ-CD1 4Å |
| 1483 | L | 69.6 | Low | 70.2 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -58 | -53 | 176.3 | -73 | 175.3 | 0 | 0 | 0 | 112 | Y1460 L1463 Y1464 T1467 W1479 L1487 | Y1460-L1483 HydrophobicContact CD2-CB 4.19Å; Y1460-L1483 HydrophobicContact CD2-CD2 4.35Å; Y1460-L1483 WeakPolarHBondContact CD2-O 3.44Å; Y1460-L1483 HydrophobicContact CE2-CB 3.86Å; Y1460-L1483 WeakPolarHBondContact CE2-O 3.44Å; L1463-L1483 HydrophobicContact CB-CD2 3.68Å; L1463-L1483 HydrophobicContact CD1-CD2 4.43Å; Y1464-L1483 HydrophobicContact CD2-CD1 4.14Å; T1467-L1483 HydrophobicContact CG2-CD1 4.31Å; W1479-L1483 WeakPolarHBondContact O-CG 3.42Å; W1479-L1483 PolarHBondContact O-N 3.47Å; L1483-L1487 HydrophobicContact CD2-CD1 4.04Å |
| 1484 | N | 69.6 | Low | 70.6 | Confident | 84 Ų | 84 | 57 Ų | 57 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -76.8 | -36.6 | -167.2 | -67.5 | -3.5 | 0 | 0 | 0 | 113.9 | Y1460 Q1480 Q1481 | Y1460-N1484 PolarHBondContact OH-OD1 3.45Å; Q1480-N1484 WeakPolarHBondContact O-CB 3.44Å; Q1480-N1484 VanDerWaalsContact O-CG 3.27Å; Q1480-N1484 PolarHBondContact O-N 3.21Å; Q1481-N1484 PolarHBondContact O-N 2.73Å |
| 1485 | N | 67.6 | Low | 71.1 | Confident | 105 Ų | 105 | 52.8 Ų | 52.8 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | I | π-helix | trans | -118.3 | -37.3 | -169.4 | -74 | -38.3 | 0 | 0 | 0 | 114.1 | Q1481 | Q1481-N1485 PolarHBondContact O-N 3.16Å |
| 1486 | D | 71.2 | Confident | 71.6 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -89.9 | -30.4 | -170.5 | -59.4 | -44.2 | 0 | 0 | 0 | 112.7 | L312 N315 F1482 N1488 L1489 | L312-D1486 HydrophobicContact CD1-CB 3.97Å; L312-D1486 VanDerWaalsContact CD1-O 3.31Å; L312-D1486 WeakPolarHBondContact CD1-O 3.26Å; L312-D1486 HydrophobicContact CG-CB 4.22Å; N315-D1486 PolarHBondContact ND2-OD2 2.85Å; F1482-D1486 HydrophobicContact CD2-CB 4.1Å; F1482-D1486 PolarHBondContact O-N 2.77Å; D1486-N1488 VanDerWaalsContact C-N 3.28Å; D1486-N1488 PolarHBondContact O-N 3.15Å; D1486-L1489 WeakPolarHBondContact O-CB 3.17Å; D1486-L1489 PolarHBondContact O-N 2.74Å |
| 1487 | L | 69.9 | Low | 72.5 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -57.5 | -42.2 | -177.9 | -147.9 | 157.1 | 0 | 0 | 0 | 111.9 | N1456 Y1460 L1463 F1482 L1483 L1489 I1490 L1491 | N1456-L1487 VanDerWaalsContact OD1-CD2 3.22Å; N1456-L1487 WeakPolarHBondContact OD1-CD2 3.39Å; Y1460-L1487 HydrophobicContact CD2-CD1 4.41Å; L1463-L1487 HydrophobicContact CD1-CD1 4.14Å; F1482-L1487 PolarHBondContact O-N 2.98Å; L1483-L1487 HydrophobicContact CD2-CD1 4.04Å; L1487-L1489 PolarHBondContact O-N 3.1Å; L1487-I1490 HydrophobicContact CG-CD1 4.4Å; L1487-I1490 PolarHBondContact O-N 2.94Å; L1487-I1490 VanDerWaalsContact O-N 3.09Å; L1487-L1491 HydrophobicContact CD2-CD1 4.21Å |
| 1488 | N | 69.4 | Low | 73.3 | Confident | 81 Ų | 81 | 37.8 Ų | 37.8 | 43% | 0.433 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -58.6 | -14 | 173.7 | -70.9 | -43.1 | 0 | 0 | 0 | 115.3 | N1456 D1486 | N1456-N1488 PolarHBondContact ND2-OD1 2.93Å; D1486-N1488 VanDerWaalsContact C-N 3.28Å; D1486-N1488 PolarHBondContact O-N 3.15Å |
| 1489 | L | 74.1 | Confident | 74.3 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -101.5 | -11.3 | 179.7 | -62.4 | 171 | 0 | 0 | 0 | 113.2 | G80 L81 K308 Y309 L312 D1486 L1487 | G80-L1489 WeakPolarHBondContact CA-O 3.42Å; L81-L1489 PolarHBondContact N-O 3.4Å; K308-L1489 HydrophobicContact CD-CD1 4.03Å; K308-L1489 HydrophobicContact CD-CD2 3.87Å; K308-L1489 HydrophobicContact CG-CD1 3.86Å; Y309-L1489 HydrophobicContact CE1-CB 4.3Å; Y309-L1489 HydrophobicContact CE1-CD2 4.15Å; L312-L1489 HydrophobicContact CB-CD1 4.44Å; L312-L1489 HydrophobicContact CD1-CB 3.46Å; L312-L1489 VanDerWaalsContact CD1-CB 3.46Å; L312-L1489 HydrophobicContact CD1-CD1 3.94Å; L312-L1489 HydrophobicContact CD1-CG 4.33Å; D1486-L1489 WeakPolarHBondContact O-CB 3.17Å; D1486-L1489 PolarHBondContact O-N 2.74Å; L1487-L1489 PolarHBondContact O-N 3.1Å |
| 1490 | I | 74.6 | Confident | 75.3 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -45.7 | 179.7 | -54.6 | 165 | 0 | 0 | 0 | 110 | G80 L81 L82 L312 F316 F1482 L1487 | G80-I1490 CarbonylContact C-O 3.43Å; L81-I1490 PolarHBondContact N-O 3Å; L82-I1490 HydrophobicContact CB-CG2 4.35Å; L82-I1490 WeakPolarHBondContact CB-O 3.47Å; L82-I1490 PolarHBondContact N-O 3.26Å; L312-I1490 HydrophobicContact CD1-CG1 4.2Å; F316-I1490 HydrophobicContact CE2-CD1 3.87Å; F316-I1490 HydrophobicContact CE2-CG1 3.94Å; F316-I1490 HydrophobicContact CZ-CD1 3.62Å; F316-I1490 HydrophobicContact CZ-CG1 4.09Å; F1482-I1490 HydrophobicContact CE2-CD1 3.89Å; F1482-I1490 HydrophobicContact CZ-CD1 4Å; L1487-I1490 HydrophobicContact CG-CD1 4.4Å; L1487-I1490 PolarHBondContact O-N 2.94Å; L1487-I1490 VanDerWaalsContact O-N 3.09Å |
| 1491 | L | 69.7 | Low | 76.1 | Confident | 30 Ų | 30 | 30.2 Ų | 30.2 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -94.2 | 158.4 | -169.9 | -69 | 169.9 | 0 | 0 | 0 | 111.8 | L1455 N1456 L1487 | L1455-L1491 HydrophobicContact CD2-CD1 3.74Å; L1455-L1491 HydrophobicContact CD2-CD2 3.86Å; L1455-L1491 HydrophobicContact CD2-CG 4.49Å; N1456-L1491 HydrophobicContact CB-CD1 3.8Å; L1487-L1491 HydrophobicContact CD2-CD1 4.21Å |
| 1492 | P | 68.6 | Low | 76.8 | Confident | 18 Ų | 18 | 26.8 Ų | 26.8 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 146.9 | 180 | 24.7 | -32.6 | 0 | 0 | 0 | 113.7 | M79 N83 V105 | M79-P1492 WeakPolarHBondContact O-CA 3.26Å; M79-P1492 HydrophobicContact SD-CB 4.39Å; N83-P1492 WeakPolarHBondContact ND2-CB 3.36Å; V105-P1492 HydrophobicContact CG1-CB 4.17Å; V105-P1492 HydrophobicContact CG1-CG 4.16Å |
| 1493 | P | 72 | Confident | 77.2 | Confident | 20 Ų | 20 | 26.1 Ų | 26.1 | 13% | 0.13 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 157.4 | 169.8 | 29.2 | -32.5 | 0 | 0 | 0 | 112.9 | N570 G572 | N570-P1493 HydrophobicContact CB-CB 4.32Å; N570-P1493 VanDerWaalsContact O-CB 3.28Å; N570-P1493 WeakPolarHBondContact O-CB 3.48Å; G572-P1493 VanDerWaalsContact CA-CG 3.42Å |
| 1494 | L | 71.1 | Confident | 77.6 | Confident | 74 Ų | 74 | 26.7 Ų | 26.7 | 39% | 0.387 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -71 | -35.9 | 177.4 | -61.9 | 172.4 | 0 | 0 | 0 | 113.1 | F1449 N1450 | F1449-L1494 HydrophobicContact CE2-CB 4.04Å; N1450-L1494 PolarHBondContact N-O 3.31Å |
| 1495 | K | 76.7 | Confident | 77.8 | Confident | 21 Ų | 21 | 22.7 Ų | 22.7 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.9 | -178.6 | -55.4 | -179 | -172.1 | -175.2 | 0 | 108.8 | I571 G572 E1341 S1344 F1345 | I571-K1495 WeakPolarHBondContact CA-O 3.21Å; I571-K1495 HydrophobicContact CG1-CB 4.13Å; G572-K1495 PolarHBondContact N-O 3.42Å; E1341-K1495 WeakPolarHBondContact OE1-CE 3.32Å; E1341-K1495 IonicContact OE1-NZ 3.27Å; E1341-K1495 PolarHBondContact OE1-NZ 2.86Å; E1341-K1495 WeakPolarHBondContact OE2-CE 3.2Å; S1344-K1495 PolarHBondContact OG-NZ 3.37Å; F1345-K1495 HydrophobicContact CE2-CB 4.49Å; F1345-K1495 HydrophobicContact CE2-CG 4.37Å; F1345-K1495 HydrophobicContact CZ-CB 4.11Å; F1345-K1495 HydrophobicContact CZ-CG 4.46Å |
| 1496 | I | 79.8 | Confident | 78.3 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.3 | -175.5 | -69 | 173.2 | 0 | 0 | 0 | 109.8 | M79 V105 G572 E574 K1448 | M79-I1496 HydrophobicContact CE-CB 4.5Å; M79-I1496 HydrophobicContact CE-CD1 4.11Å; M79-I1496 HydrophobicContact CE-CG1 3.98Å; M79-I1496 HydrophobicContact CE-CG2 3.86Å; M79-I1496 HydrophobicContact SD-CD1 4.08Å; M79-I1496 HydrophobicContact SD-CG1 4.24Å; V105-I1496 HydrophobicContact CG1-CD1 4.34Å; V105-I1496 HydrophobicContact CG2-CD1 4.22Å; G572-I1496 CarbonylContact O-C 3.22Å; G572-I1496 WeakPolarHBondContact O-CA 3.2Å; E574-I1496 HydrophobicContact CG-CG2 3.95Å; K1448-I1496 HydrophobicContact CB-CB 3.95Å; K1448-I1496 HydrophobicContact CB-CG2 4.15Å; K1448-I1496 HydrophobicContact CD-CG2 4.41Å; K1448-I1496 PolarHBondContact N-O 3.22Å; K1448-I1496 PolarHBondContact O-N 2.82Å; K1448-I1496 VanDerWaalsContact O-O 3.14Å |
| 1497 | I | 87 | Confident | 78.9 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.8 | 168.9 | -54.5 | 179 | 0 | 0 | 0 | 109 | I571 G572 I573 E574 Y1348 I1445 L1447 L1516 | I571-I1497 HydrophobicContact CD1-CD1 4.34Å; I571-I1497 HydrophobicContact CG2-CD1 3.8Å; I571-I1497 HydrophobicContact CG2-CG1 3.81Å; G572-I1497 PolarHBondContact O-N 2.9Å; I573-I1497 WeakPolarHBondContact CA-O 3.42Å; E574-I1497 PolarHBondContact N-O 2.8Å; Y1348-I1497 HydrophobicContact CE1-CD1 3.88Å; I1445-I1497 HydrophobicContact CG2-CG2 3.56Å; L1447-I1497 HydrophobicContact CD2-CB 4.41Å; L1447-I1497 HydrophobicContact CD2-CD1 4.14Å; L1447-I1497 HydrophobicContact CD2-CG1 3.81Å; L1447-I1497 HydrophobicContact CD2-CG2 3.99Å; I1497-L1516 HydrophobicContact CB-CD1 4.45Å; I1497-L1516 HydrophobicContact CD1-CD1 4.34Å; I1497-L1516 HydrophobicContact CG2-CD1 3.59Å |
| 1498 | R | 89 | Confident | 79.7 | Confident | 17 Ų | 17 | 19 Ų | 19 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.5 | 172.9 | -176.2 | -175.9 | -62.8 | 171.2 | -13.8 | 110.8 | E574 K576 E1446 | E574-R1498 VanDerWaalsContact CD-NE 3.27Å; E574-R1498 HydrophobicContact CG-CB 3.82Å; E574-R1498 HydrophobicContact CG-CG 3.99Å; E574-R1498 CarbonylContact O-C 3.6Å; E574-R1498 VanDerWaalsContact O-CA 3.27Å; E574-R1498 WeakPolarHBondContact O-CA 3.39Å; E574-R1498 IonicContact OE1-CZ 3.94Å; E574-R1498 IonicContact OE1-NE 2.92Å; E574-R1498 PolarHBondContact OE1-NE 3.2Å; E574-R1498 IonicContact OE1-NH2 2.73Å; E574-R1498 PolarHBondContact OE1-NH2 3.26Å; E574-R1498 IonicContact OE2-CZ 3.77Å; E574-R1498 IonicContact OE2-NE 3.54Å; E574-R1498 IonicContact OE2-NH2 3.54Å; E574-R1498 PolarHBondContact OE2-NH2 3.36Å; K576-R1498 HydrophobicContact CB-CG 3.96Å; E1446-R1498 HydrophobicContact CB-CB 4.15Å; E1446-R1498 HydrophobicContact CG-CB 4.47Å; E1446-R1498 PolarHBondContact N-O 3.1Å; E1446-R1498 PolarHBondContact O-N 3.38Å; E1446-R1498 IonicContact OE1-NH1 3.82Å; E1446-R1498 WeakPolarHBondContact OE2-CD 3.28Å; E1446-R1498 IonicContact OE2-CZ 3.35Å; E1446-R1498 IonicContact OE2-NE 3.27Å; E1446-R1498 IonicContact OE2-NH1 3.41Å; E1446-R1498 PolarHBondContact OE2-NH1 2.92Å |
| 1499 | I | 91.4 | Very high | 80.6 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.8 | 167.5 | -64 | 170.4 | 0 | 0 | 0 | 107.8 | I573 E574 M575 K576 L1513 L1516 | I573-I1499 HydrophobicContact CG2-CD1 4.19Å; E574-I1499 PolarHBondContact O-N 2.93Å; M575-I1499 HydrophobicContact CE-CB 4.46Å; M575-I1499 HydrophobicContact CE-CG2 4.19Å; M575-I1499 HydrophobicContact SD-CB 3.67Å; M575-I1499 HydrophobicContact SD-CD1 3.77Å; M575-I1499 HydrophobicContact SD-CG1 4.22Å; M575-I1499 HydrophobicContact SD-CG2 4.06Å; K576-I1499 PolarHBondContact N-O 3.45Å; I1499-L1513 HydrophobicContact CD1-CB 4.18Å; I1499-L1513 HydrophobicContact CD1-CD1 3.83Å; I1499-L1516 HydrophobicContact CD1-CB 4.28Å; I1499-L1516 HydrophobicContact CD1-CD1 4.1Å; I1499-L1516 HydrophobicContact CG1-CD1 4.07Å |
| 1500 | W | 91.8 | Very high | 81.4 | Confident | 4 Ų | 4 | 14.5 Ų | 14.5 | 2% | 0.015 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.5 | 167.5 | -72.6 | 86.8 | 0 | 0 | 0 | 109.4 | K576 F578 F1326 I1426 L1430 G1443 G1444 E1446 | K576-W1500 HydrophobicContact CB-CD2 4.35Å; K576-W1500 HydrophobicContact CB-CE3 4.25Å; K576-W1500 HydrophobicContact CD-CE3 4.33Å; K576-W1500 HydrophobicContact CD-CH2 3.59Å; K576-W1500 HydrophobicContact CD-CZ2 3.94Å; K576-W1500 HydrophobicContact CD-CZ3 3.79Å; K576-W1500 HydrophobicContact CG-CE3 4.02Å; K576-W1500 HydrophobicContact CG-CH2 4.17Å; K576-W1500 HydrophobicContact CG-CZ3 3.83Å; K576-W1500 CarbonylContact O-C 3.51Å; K576-W1500 VanDerWaalsContact O-CA 3.27Å; K576-W1500 WeakPolarHBondContact O-CA 3.44Å; F578-W1500 HydrophobicContact CD1-CB 4.3Å; F578-W1500 HydrophobicContact CD1-CE3 4.41Å; F578-W1500 HydrophobicContact CE1-CB 3.9Å; F1326-W1500 HydrophobicContact CE1-CB 4.38Å; F1326-W1500 HydrophobicContact CE2-CG 4.43Å; F1326-W1500 HydrophobicContact CZ-CB 3.7Å; F1326-W1500 AromaticContact CZ-CG 3.85Å; F1326-W1500 HydrophobicContact CZ-CG 3.85Å; I1426-W1500 HydrophobicContact CB-CZ2 3.98Å; I1426-W1500 HydrophobicContact CD1-CZ2 4.23Å; I1426-W1500 HydrophobicContact CG2-CD2 4.17Å; I1426-W1500 HydrophobicContact CG2-CH2 4.34Å; I1426-W1500 HydrophobicContact CG2-CZ2 3.92Å; L1430-W1500 HydrophobicContact CD1-CE3 4.09Å; L1430-W1500 HydrophobicContact CD1-CZ3 4.3Å; G1443-W1500 CarbonylContact C-O 3.54Å; G1443-W1500 WeakPolarHBondContact CA-O 3.44Å; G1444-W1500 PolarHBondContact N-O 3.32Å; G1444-W1500 PolarHBondContact O-N 3.41Å; E1446-W1500 PolarHBondContact OE2-NE1 3.48Å |
| 1501 | Y | 90.4 | Very high | 82 | Confident | 6 Ų | 6 | 13.2 Ų | 13.2 | 2% | 0.024 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 156.8 | -179.1 | 73.5 | -84.2 | 0 | 0 | 0 | 112.8 | M532 F535 M575 K576 M577 F578 N1503 P1509 | M532-Y1501 HydrophobicContact CE-CE2 4.38Å; F535-Y1501 HydrophobicContact CE2-CE1 4.24Å; F535-Y1501 AromaticContact CE2-CE2 3.88Å; F535-Y1501 HydrophobicContact CE2-CE2 3.88Å; F535-Y1501 AromaticContact CE2-CZ 3.54Å; F535-Y1501 VanDerWaalsContact CE2-OH 3.23Å; F535-Y1501 WeakPolarHBondContact CE2-OH 3.47Å; F535-Y1501 AromaticContact CZ-CE1 3.74Å; F535-Y1501 HydrophobicContact CZ-CE1 3.74Å; F535-Y1501 HydrophobicContact CZ-CE2 4.21Å; F535-Y1501 AromaticContact CZ-CZ 3.53Å; F535-Y1501 WeakPolarHBondContact CZ-OH 3.31Å; M575-Y1501 HydrophobicContact CB-CD1 4.43Å; M575-Y1501 HydrophobicContact CB-CE1 4.04Å; M575-Y1501 HydrophobicContact CE-CD1 4.49Å; K576-Y1501 WeakPolarHBondContact O-CD1 3.26Å; K576-Y1501 PolarHBondContact O-N 3.17Å; M577-Y1501 CarbonylContact C-O 3.54Å; M577-Y1501 WeakPolarHBondContact CA-O 3.15Å; M577-Y1501 HydrophobicContact CB-CE1 4.21Å; M577-Y1501 HydrophobicContact CB-CE2 4.35Å; M577-Y1501 HydrophobicContact CG-CE2 4.26Å; F578-Y1501 VanDerWaalsContact CD1-O 3.26Å; F578-Y1501 WeakPolarHBondContact CD1-O 3.39Å; F578-Y1501 PolarHBondContact N-O 3.46Å; Y1501-N1503 HydrophobicContact CE2-CB 4.25Å; Y1501-P1509 HydrophobicContact CD1-CB 4.3Å; Y1501-P1509 HydrophobicContact CD2-CB 3.92Å; Y1501-P1509 HydrophobicContact CD2-CG 4.15Å; Y1501-P1509 HydrophobicContact CE2-CB 4.17Å; Y1501-P1509 HydrophobicContact CE2-CG 4.25Å; Y1501-P1509 HydrophobicContact CG-CB 4Å |
| 1502 | D | 86.4 | Confident | 83 | Confident | 16 Ų | 16 | 12 Ų | 12 | 9% | 0.086 | 6% | 0.059 | C | C | . | . | trans | -119.9 | 113.6 | 179.8 | -170.6 | -43.5 | 0 | 0 | 0 | 111.3 | F578 Y1442 R1504 G1505 T1508 | F578-D1502 HydrophobicContact CB-CB 4.32Å; F578-D1502 HydrophobicContact CD1-CB 4.33Å; F578-D1502 HydrophobicContact CD2-CB 3.7Å; F578-D1502 VanDerWaalsContact CD2-OD2 3.3Å; F578-D1502 WeakPolarHBondContact CD2-OD2 3.37Å; F578-D1502 HydrophobicContact CE2-CB 4.03Å; F578-D1502 HydrophobicContact CG-CB 3.87Å; F578-D1502 HydrophobicContact CZ-CB 4.48Å; Y1442-D1502 PolarHBondContact O-N 2.94Å; D1502-R1504 VanDerWaalsContact CG-NH2 3.32Å; D1502-R1504 PolarHBondContact O-N 2.83Å; D1502-R1504 VanDerWaalsContact O-N 3.11Å; D1502-R1504 VanDerWaalsContact OD1-CB 3.22Å; D1502-R1504 WeakPolarHBondContact OD1-CB 3.17Å; D1502-R1504 WeakPolarHBondContact OD1-CG 3.31Å; D1502-R1504 IonicContact OD1-CZ 3.79Å; D1502-R1504 PolarHBondContact OD1-N 3.03Å; D1502-R1504 IonicContact OD1-NE 2.69Å; D1502-R1504 PolarHBondContact OD1-NE 3.17Å; D1502-R1504 IonicContact OD1-NH2 3.9Å; D1502-R1504 IonicContact OD2-CZ 3.45Å; D1502-R1504 IonicContact OD2-NE 3.37Å; D1502-R1504 PolarHBondContact OD2-NE 2.91Å; D1502-R1504 IonicContact OD2-NH2 3.75Å; D1502-R1504 PolarHBondContact OD2-NH2 3.29Å; D1502-G1505 PolarHBondContact O-N 2.95Å; D1502-T1508 WeakPolarHBondContact O-CB 3.5Å; D1502-T1508 VanDerWaalsContact O-CG2 3.23Å; D1502-T1508 WeakPolarHBondContact O-CG2 3.37Å; D1502-T1508 PolarHBondContact O-OG1 2.9Å | ||
| 1503 | N | 81.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.011 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 10.9 | -173.4 | -151.9 | 44.5 | 0 | 0 | 0 | 114.7 | N525 D531 M532 M577 Y1501 G1505 | N525-N1503 HydrophobicContact CB-CB 4.46Å; N525-N1503 PolarHBondContact ND2-O 3.07Å; N525-N1503 VanDerWaalsContact ND2-O 3.1Å; N525-N1503 PolarHBondContact O-ND2 3.06Å; D531-N1503 PolarHBondContact O-ND2 2.96Å; M532-N1503 HydrophobicContact CE-CB 4.01Å; M577-N1503 HydrophobicContact CE-CB 3.84Å; Y1501-N1503 HydrophobicContact CE2-CB 4.25Å; N1503-G1505 PolarHBondContact O-N 3.25Å |
| 1504 | R | 77.2 | Confident | 84.9 | Confident | 17 Ų | 17 | 10.2 Ų | 10.2 | 6% | 0.064 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -18.4 | 164.3 | -67 | 176.3 | -59.3 | 119.4 | 10.6 | 112.7 | S517 F1438 M1441 D1502 | S517-R1504 PolarHBondContact N-O 3.28Å; F1438-R1504 VanDerWaalsContact CD2-NH1 3.27Å; F1438-R1504 VanDerWaalsContact CE2-NH1 3.34Å; F1438-R1504 VanDerWaalsContact CG-NH1 3.31Å; F1438-R1504 PolarHBondContact O-NH1 3.47Å; M1441-R1504 PolarHBondContact O-NH2 2.83Å; D1502-R1504 VanDerWaalsContact CG-NH2 3.32Å; D1502-R1504 PolarHBondContact O-N 2.83Å; D1502-R1504 VanDerWaalsContact O-N 3.11Å; D1502-R1504 VanDerWaalsContact OD1-CB 3.22Å; D1502-R1504 WeakPolarHBondContact OD1-CB 3.17Å; D1502-R1504 WeakPolarHBondContact OD1-CG 3.31Å; D1502-R1504 IonicContact OD1-CZ 3.79Å; D1502-R1504 PolarHBondContact OD1-N 3.03Å; D1502-R1504 IonicContact OD1-NE 2.69Å; D1502-R1504 PolarHBondContact OD1-NE 3.17Å; D1502-R1504 IonicContact OD1-NH2 3.9Å; D1502-R1504 IonicContact OD2-CZ 3.45Å; D1502-R1504 IonicContact OD2-NE 3.37Å; D1502-R1504 PolarHBondContact OD2-NE 2.91Å; D1502-R1504 IonicContact OD2-NH2 3.75Å; D1502-R1504 PolarHBondContact OD2-NH2 3.29Å |
| 1505 | G | 74.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | B | Isolated β-bridge | trans | -114.3 | 114.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I515 D1502 N1503 I1507 T1508 | I515-G1505 CarbonylContact O-C 3.58Å; I515-G1505 WeakPolarHBondContact O-CA 3.23Å; D1502-G1505 PolarHBondContact O-N 2.95Å; N1503-G1505 PolarHBondContact O-N 3.25Å; G1505-I1507 PolarHBondContact O-N 2.66Å; G1505-T1508 WeakPolarHBondContact O-CB 3.5Å; G1505-T1508 WeakPolarHBondContact O-CG2 3.38Å; G1505-T1508 PolarHBondContact O-N 3.11Å; G1505-T1508 PolarHBondContact O-OG1 3.43Å |
| 1506 | Y | 77.5 | Confident | 86.3 | Confident | 39 Ų | 39 | 6.2 Ų | 6.2 | 15% | 0.153 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -7.7 | -169.8 | -68.1 | -68.8 | 0 | 0 | 0 | 115.7 | Y506 Y514 I515 N525 D531 Y534 | Y506-Y1506 HydrophobicContact CE1-CD1 4.2Å; Y506-Y1506 HydrophobicContact CE1-CG 4.24Å; Y506-Y1506 AromaticContact CZ-CD1 3.94Å; Y514-Y1506 WeakPolarHBondContact O-CD2 3.36Å; I515-Y1506 PolarHBondContact O-N 2.77Å; N525-Y1506 HydrophobicContact CB-CE1 4.33Å; D531-Y1506 HydrophobicContact CB-CE1 3.87Å; D531-Y1506 VanDerWaalsContact OD1-CE1 3.22Å; D531-Y1506 WeakPolarHBondContact OD1-CE1 3.33Å; D531-Y1506 PolarHBondContact OD1-OH 2.9Å; Y534-Y1506 VanDerWaalsContact CD2-O 3.26Å; Y534-Y1506 WeakPolarHBondContact CD2-O 3.45Å; Y534-Y1506 WeakPolarHBondContact CE2-O 3.49Å |
| 1507 | I | 84.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.021 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -6.1 | -177.7 | -52.6 | 161.2 | 0 | 0 | 0 | 110.7 | I515 Y534 M1307 I1309 I1313 M1314 G1505 V1510 A1511 | I515-I1507 HydrophobicContact CB-CD1 4.5Å; I515-I1507 HydrophobicContact CG1-CD1 3.9Å; Y534-I1507 HydrophobicContact CE2-CG1 4.22Å; M1307-I1507 HydrophobicContact CE-CD1 3.52Å; M1307-I1507 HydrophobicContact CE-CG1 4.24Å; M1307-I1507 HydrophobicContact SD-CD1 4.08Å; I1309-I1507 HydrophobicContact CG2-CG2 3.67Å; I1313-I1507 HydrophobicContact CG2-CD1 3.86Å; M1314-I1507 HydrophobicContact CE-CB 4.47Å; G1505-I1507 PolarHBondContact O-N 2.66Å; I1507-V1510 PolarHBondContact O-N 2.64Å; I1507-A1511 HydrophobicContact CG2-CB 4.36Å; I1507-A1511 WeakPolarHBondContact O-CB 3.39Å; I1507-A1511 PolarHBondContact O-N 2.82Å |
| 1508 | T | 87.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -54.5 | -48.9 | -174.5 | 49.8 | 0 | 0 | 0 | 0 | 115.8 | M1314 Y1442 D1502 G1505 V1510 A1511 Y1512 | M1314-T1508 HydrophobicContact CE-CG2 3.6Å; M1314-T1508 HydrophobicContact SD-CG2 3.53Å; M1314-T1508 VanDerWaalsContact SD-CG2 3.53Å; Y1442-T1508 HydrophobicContact CD1-CG2 3.86Å; Y1442-T1508 HydrophobicContact CG-CG2 4.36Å; D1502-T1508 WeakPolarHBondContact O-CB 3.5Å; D1502-T1508 VanDerWaalsContact O-CG2 3.23Å; D1502-T1508 WeakPolarHBondContact O-CG2 3.37Å; D1502-T1508 PolarHBondContact O-OG1 2.9Å; G1505-T1508 WeakPolarHBondContact O-CB 3.5Å; G1505-T1508 WeakPolarHBondContact O-CG2 3.38Å; G1505-T1508 PolarHBondContact O-N 3.11Å; G1505-T1508 PolarHBondContact O-OG1 3.43Å; T1508-V1510 VanDerWaalsContact C-N 3.27Å; T1508-V1510 PolarHBondContact O-N 2.91Å; T1508-A1511 PolarHBondContact O-N 3.47Å; T1508-Y1512 WeakPolarHBondContact O-CB 3.21Å; T1508-Y1512 WeakPolarHBondContact O-CD2 3.17Å; T1508-Y1512 PolarHBondContact O-N 2.91Å |
| 1509 | P | 88.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.4 | -41 | -178.2 | 24.9 | -34.7 | 0 | 0 | 0 | 111.1 | F535 I540 M575 Y1501 L1513 | F535-P1509 HydrophobicContact CD2-CG 4.43Å; F535-P1509 HydrophobicContact CE2-CB 3.67Å; F535-P1509 HydrophobicContact CE2-CG 3.63Å; F535-P1509 HydrophobicContact CZ-CB 3.53Å; F535-P1509 HydrophobicContact CZ-CG 4.05Å; I540-P1509 HydrophobicContact CD1-CB 3.97Å; I540-P1509 HydrophobicContact CD1-CG 4.08Å; M575-P1509 HydrophobicContact CE-CB 3.5Å; M575-P1509 WeakPolarHBondContact CE-O 3.47Å; Y1501-P1509 HydrophobicContact CD1-CB 4.3Å; Y1501-P1509 HydrophobicContact CD2-CB 3.92Å; Y1501-P1509 HydrophobicContact CD2-CG 4.15Å; Y1501-P1509 HydrophobicContact CE2-CB 4.17Å; Y1501-P1509 HydrophobicContact CE2-CG 4.25Å; Y1501-P1509 HydrophobicContact CG-CB 4Å; P1509-L1513 VanDerWaalsContact O-CB 3.31Å; P1509-L1513 WeakPolarHBondContact O-CB 3.41Å; P1509-L1513 PolarHBondContact O-N 3.43Å |
| 1510 | V | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | -179.4 | -155.7 | 0 | 0 | 0 | 0 | 111.9 | Y534 F539 I540 Q543 I1309 I1507 T1508 N1514 | Y534-V1510 HydrophobicContact CD1-CG2 3.95Å; Y534-V1510 HydrophobicContact CD2-CG2 3.44Å; Y534-V1510 VanDerWaalsContact CD2-CG2 3.44Å; Y534-V1510 HydrophobicContact CE2-CG2 4.04Å; Y534-V1510 HydrophobicContact CG-CG2 3.39Å; F539-V1510 HydrophobicContact CD1-CG1 3.91Å; F539-V1510 HydrophobicContact CE1-CG1 3.47Å; F539-V1510 VanDerWaalsContact CE1-CG1 3.47Å; F539-V1510 HydrophobicContact CZ-CG1 4.48Å; I540-V1510 HydrophobicContact CD1-CG2 4.32Å; I540-V1510 HydrophobicContact CG1-CG2 4.22Å; Q543-V1510 PolarHBondContact NE2-O 2.61Å; I1309-V1510 HydrophobicContact CD1-CG1 3.8Å; I1309-V1510 HydrophobicContact CG2-CB 3.85Å; I1309-V1510 HydrophobicContact CG2-CG1 3.72Å; I1507-V1510 PolarHBondContact O-N 2.64Å; T1508-V1510 VanDerWaalsContact C-N 3.27Å; T1508-V1510 PolarHBondContact O-N 2.91Å; V1510-N1514 WeakPolarHBondContact O-CB 3.41Å; V1510-N1514 PolarHBondContact O-N 2.93Å |
| 1511 | A | 88.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.008 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -75.1 | -35.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1309 M1314 I1507 T1508 N1514 L1515 | I1309-A1511 HydrophobicContact CG2-CB 4.22Å; M1314-A1511 HydrophobicContact CE-CB 3.7Å; I1507-A1511 HydrophobicContact CG2-CB 4.36Å; I1507-A1511 WeakPolarHBondContact O-CB 3.39Å; I1507-A1511 PolarHBondContact O-N 2.82Å; T1508-A1511 PolarHBondContact O-N 3.47Å; A1511-N1514 PolarHBondContact O-N 3.38Å; A1511-L1515 WeakPolarHBondContact O-CB 3.12Å; A1511-L1515 PolarHBondContact O-N 3.25Å |
| 1512 | Y | 90.4 | Very high | 85.4 | Confident | 3 Ų | 3 | 5.9 Ų | 5.9 | 1% | 0.012 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -74.6 | -34.1 | 174.5 | -86.6 | -94.6 | 0 | 0 | 0 | 111.8 | H1325 G1443 T1508 L1515 L1516 | H1325-Y1512 PolarHBondContact CE1-OH 3.44Å; H1325-Y1512 VanDerWaalsContact CE1-OH 3.3Å; H1325-Y1512 AromaticContact ND1-CE1 3.71Å; H1325-Y1512 AromaticContact ND1-CZ 3.69Å; H1325-Y1512 PolarHBondContact ND1-OH 3.35Å; G1443-Y1512 PolarHBondContact N-OH 2.93Å; G1443-Y1512 PolarHBondContact O-OH 2.63Å; T1508-Y1512 WeakPolarHBondContact O-CB 3.21Å; T1508-Y1512 WeakPolarHBondContact O-CD2 3.17Å; T1508-Y1512 PolarHBondContact O-N 2.91Å; Y1512-L1515 HydrophobicContact CD1-CD1 4.25Å; Y1512-L1515 HydrophobicContact CE1-CD1 4.26Å; Y1512-L1515 WeakPolarHBondContact O-CB 3.45Å; Y1512-L1515 PolarHBondContact O-N 3.13Å; Y1512-L1516 PolarHBondContact O-N 3.11Å |
| 1513 | L | 90.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 167.8 | -176.7 | 62.6 | 0 | 0 | 0 | 111.4 | I540 Q543 I573 I1499 P1509 L1515 L1516 H1517 | I540-L1513 HydrophobicContact CG2-CD2 3.95Å; Q543-L1513 HydrophobicContact CB-CD2 4.25Å; Q543-L1513 HydrophobicContact CG-CD2 4.02Å; I573-L1513 HydrophobicContact CD1-CD1 4.2Å; I1499-L1513 HydrophobicContact CD1-CB 4.18Å; I1499-L1513 HydrophobicContact CD1-CD1 3.83Å; P1509-L1513 VanDerWaalsContact O-CB 3.31Å; P1509-L1513 WeakPolarHBondContact O-CB 3.41Å; P1509-L1513 PolarHBondContact O-N 3.43Å; L1513-L1515 PolarHBondContact O-N 2.66Å; L1513-L1516 PolarHBondContact O-N 2.89Å; L1513-H1517 PolarHBondContact O-N 2.9Å; L1513-H1517 PolarHBondContact O-ND1 2.88Å |
| 1514 | N | 90.3 | Very high | 85 | Confident | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.011 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | 175.3 | -164.3 | 27.4 | 0 | 0 | 0 | 112.5 | I1309 V1510 A1511 H1517 N1518 I1556 | I1309-N1514 PolarHBondContact O-ND2 2.85Å; V1510-N1514 WeakPolarHBondContact O-CB 3.41Å; V1510-N1514 PolarHBondContact O-N 2.93Å; A1511-N1514 PolarHBondContact O-N 3.38Å; N1514-H1517 PolarHBondContact O-N 2.86Å; N1514-N1518 WeakPolarHBondContact O-CB 3.33Å; N1514-N1518 PolarHBondContact O-N 3.36Å; N1514-N1518 PolarHBondContact O-ND2 2.96Å; N1514-N1518 PolarHBondContact OD1-ND2 3.27Å; N1514-I1556 PolarHBondContact ND2-O 3.28Å; N1514-I1556 VanDerWaalsContact ND2-O 3.11Å; N1514-I1556 PolarHBondContact OD1-O 3.3Å |
| 1515 | L | 88.7 | Confident | 85 | Confident | 8 Ų | 8 | 4.7 Ų | 4.7 | 4% | 0.042 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 171.7 | 170.1 | 165.9 | 0 | 0 | 0 | 111 | L1358 I1445 A1511 Y1512 L1513 H1517 N1518 Y1519 | L1358-L1515 HydrophobicContact CD2-CD2 3.61Å; L1358-L1515 HydrophobicContact CD2-CG 4.35Å; I1445-L1515 HydrophobicContact CD1-CD2 3.89Å; A1511-L1515 WeakPolarHBondContact O-CB 3.12Å; A1511-L1515 PolarHBondContact O-N 3.25Å; Y1512-L1515 HydrophobicContact CD1-CD1 4.25Å; Y1512-L1515 HydrophobicContact CE1-CD1 4.26Å; Y1512-L1515 WeakPolarHBondContact O-CB 3.45Å; Y1512-L1515 PolarHBondContact O-N 3.13Å; L1513-L1515 PolarHBondContact O-N 2.66Å; L1515-H1517 PolarHBondContact O-N 3.11Å; L1515-N1518 PolarHBondContact O-N 2.92Å; L1515-Y1519 VanDerWaalsContact O-CB 3.32Å; L1515-Y1519 WeakPolarHBondContact O-CB 3.29Å; L1515-Y1519 PolarHBondContact O-N 3.3Å |
| 1516 | L | 88.4 | Confident | 85 | Confident | 2 Ų | 2 | 5.1 Ų | 5.1 | 1% | 0.01 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 178.9 | 175.4 | 142.5 | 0 | 0 | 0 | 111.5 | I573 I1445 I1497 I1499 Y1512 L1513 Y1519 Q1520 | I573-L1516 HydrophobicContact CD1-CD2 4.14Å; I1445-L1516 HydrophobicContact CD1-CD1 4.46Å; I1497-L1516 HydrophobicContact CB-CD1 4.45Å; I1497-L1516 HydrophobicContact CD1-CD1 4.34Å; I1497-L1516 HydrophobicContact CG2-CD1 3.59Å; I1499-L1516 HydrophobicContact CD1-CB 4.28Å; I1499-L1516 HydrophobicContact CD1-CD1 4.1Å; I1499-L1516 HydrophobicContact CG1-CD1 4.07Å; Y1512-L1516 PolarHBondContact O-N 3.11Å; L1513-L1516 PolarHBondContact O-N 2.89Å; L1516-Y1519 WeakPolarHBondContact O-CB 3.41Å; L1516-Y1519 PolarHBondContact O-N 3.44Å; L1516-Q1520 HydrophobicContact CD2-CG 4.44Å; L1516-Q1520 WeakPolarHBondContact O-CG 3.49Å; L1516-Q1520 PolarHBondContact O-N 3.07Å |
| 1517 | H | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 177.1 | -65.4 | 156.2 | 0 | 0 | 0 | 113.5 | I547 L1513 N1514 L1515 Y1519 Q1520 Y1521 | I547-H1517 WeakPolarHBondContact CD1-ND1 3.15Å; I547-H1517 HydrophobicContact CG2-CB 3.6Å; L1513-H1517 PolarHBondContact O-N 2.9Å; L1513-H1517 PolarHBondContact O-ND1 2.88Å; N1514-H1517 PolarHBondContact O-N 2.86Å; L1515-H1517 PolarHBondContact O-N 3.11Å; H1517-Y1519 VanDerWaalsContact C-N 3.29Å; H1517-Y1519 PolarHBondContact O-N 2.77Å; H1517-Q1520 PolarHBondContact O-N 2.75Å; H1517-Y1521 WeakPolarHBondContact O-CB 3.46Å; H1517-Y1521 PolarHBondContact O-N 3.12Å |
| 1518 | N | 87.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 4.6 Ų | 4.6 | 1% | 0.011 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 173.7 | -89.9 | -95.8 | 0 | 0 | 0 | 111.1 | N1514 L1515 Y1521 R1522 G1555 I1556 | N1514-N1518 WeakPolarHBondContact O-CB 3.33Å; N1514-N1518 PolarHBondContact O-N 3.36Å; N1514-N1518 PolarHBondContact O-ND2 2.96Å; N1514-N1518 PolarHBondContact OD1-ND2 3.27Å; L1515-N1518 PolarHBondContact O-N 2.92Å; N1518-Y1521 PolarHBondContact O-N 3.04Å; N1518-R1522 WeakPolarHBondContact O-CG 3.27Å; N1518-R1522 PolarHBondContact O-N 3.25Å; N1518-G1555 VanDerWaalsContact OD1-CA 3.27Å; N1518-G1555 WeakPolarHBondContact OD1-CA 3.44Å; N1518-I1556 PolarHBondContact ND2-O 2.88Å; N1518-I1556 PolarHBondContact OD1-N 3.05Å |
| 1519 | Y | 83.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 5 Ų | 5 | 3% | 0.027 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 175.5 | 166 | -84 | 0 | 0 | 0 | 111.6 | Y1348 T1351 I1352 L1358 L1515 L1516 H1517 Y1521 R1522 L1523 | Y1348-Y1519 VanDerWaalsContact CA-OH 3.28Å; Y1348-Y1519 WeakPolarHBondContact CA-OH 3.44Å; Y1348-Y1519 AromaticContact CD1-CE1 3.57Å; Y1348-Y1519 HydrophobicContact CD1-CE1 3.57Å; Y1348-Y1519 HydrophobicContact CE1-CD1 4.49Å; Y1348-Y1519 AromaticContact CE1-CE1 3.72Å; Y1348-Y1519 HydrophobicContact CE1-CE1 3.72Å; Y1348-Y1519 HydrophobicContact CG-CE1 4.33Å; Y1348-Y1519 PolarHBondContact O-OH 3.48Å; T1351-Y1519 PolarHBondContact OG1-OH 3.05Å; I1352-Y1519 HydrophobicContact CG1-CE2 3.77Å; L1358-Y1519 HydrophobicContact CD2-CD2 4.29Å; L1358-Y1519 HydrophobicContact CG-CD2 4.25Å; L1515-Y1519 VanDerWaalsContact O-CB 3.32Å; L1515-Y1519 WeakPolarHBondContact O-CB 3.29Å; L1515-Y1519 PolarHBondContact O-N 3.3Å; L1516-Y1519 WeakPolarHBondContact O-CB 3.41Å; L1516-Y1519 PolarHBondContact O-N 3.44Å; H1517-Y1519 VanDerWaalsContact C-N 3.29Å; H1517-Y1519 PolarHBondContact O-N 2.77Å; Y1519-Y1521 PolarHBondContact O-N 3.43Å; Y1519-R1522 PolarHBondContact O-N 3.08Å; Y1519-L1523 HydrophobicContact CE1-CD1 4Å; Y1519-L1523 WeakPolarHBondContact O-CB 3.05Å; Y1519-L1523 PolarHBondContact O-N 3.19Å |
| 1520 | Q | 84.8 | Confident | 82.5 | Confident | 8 Ų | 8 | 8.2 Ų | 8.2 | 4% | 0.037 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 176 | -75.2 | 177.6 | -33.7 | 0 | 0 | 112.5 | L551 L568 Y1348 L1516 H1517 L1523 L1524 | L551-Q1520 HydrophobicContact CD1-CB 4Å; L568-Q1520 HydrophobicContact CD2-CB 4.03Å; L568-Q1520 HydrophobicContact CD2-CG 3.78Å; Y1348-Q1520 PolarHBondContact OH-NE2 3.08Å; Y1348-Q1520 VanDerWaalsContact OH-NE2 3.09Å; L1516-Q1520 HydrophobicContact CD2-CG 4.44Å; L1516-Q1520 WeakPolarHBondContact O-CG 3.49Å; L1516-Q1520 PolarHBondContact O-N 3.07Å; H1517-Q1520 PolarHBondContact O-N 2.75Å; Q1520-L1523 PolarHBondContact O-N 3.08Å; Q1520-L1524 WeakPolarHBondContact O-CB 3.27Å; Q1520-L1524 PolarHBondContact O-N 2.88Å |
| 1521 | Y | 84.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 175.1 | -177.4 | -132 | 0 | 0 | 0 | 111.6 | Y467 F550 L551 T554 H1517 N1518 Y1519 L1524 L1525 I1556 | Y467-Y1521 PolarHBondContact OH-OH 3.38Å; F550-Y1521 AromaticContact CE1-CD2 3.87Å; F550-Y1521 HydrophobicContact CE1-CD2 3.87Å; F550-Y1521 AromaticContact CE1-CE2 3.61Å; F550-Y1521 HydrophobicContact CE1-CE2 3.61Å; F550-Y1521 HydrophobicContact CE1-CG 4.49Å; F550-Y1521 AromaticContact CZ-CE2 3.92Å; F550-Y1521 HydrophobicContact CZ-CE2 3.92Å; L551-Y1521 HydrophobicContact CD2-CD2 4.14Å; L551-Y1521 HydrophobicContact CD2-CG 4.46Å; T554-Y1521 HydrophobicContact CG2-CE2 4.25Å; H1517-Y1521 WeakPolarHBondContact O-CB 3.46Å; H1517-Y1521 PolarHBondContact O-N 3.12Å; N1518-Y1521 PolarHBondContact O-N 3.04Å; Y1519-Y1521 PolarHBondContact O-N 3.43Å; Y1521-L1524 PolarHBondContact O-N 2.75Å; Y1521-L1525 HydrophobicContact CD1-CD1 4.15Å; Y1521-L1525 HydrophobicContact CD2-CD1 4.21Å; Y1521-L1525 HydrophobicContact CD2-CG 4.31Å; Y1521-L1525 HydrophobicContact CE1-CD1 3.78Å; Y1521-L1525 HydrophobicContact CE2-CD1 3.81Å; Y1521-L1525 HydrophobicContact CE2-CD2 4.45Å; Y1521-L1525 HydrophobicContact CE2-CG 4.06Å; Y1521-L1525 HydrophobicContact CG-CD1 4.37Å; Y1521-L1525 WeakPolarHBondContact O-CB 3.25Å; Y1521-L1525 WeakPolarHBondContact O-CG 3.41Å; Y1521-L1525 PolarHBondContact O-N 3.21Å; Y1521-I1556 HydrophobicContact CD1-CD1 4.19Å; Y1521-I1556 HydrophobicContact CD1-CG1 3.91Å; Y1521-I1556 HydrophobicContact CE1-CG1 4.39Å; Y1521-I1556 HydrophobicContact CG-CD1 4.02Å; Y1521-I1556 HydrophobicContact CG-CG1 4.27Å |
| 1522 | R | 79.9 | Confident | 80.5 | Confident | 11 Ų | 11 | 12.9 Ų | 12.9 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.6 | -36 | 175.8 | -75.3 | 178.9 | 176.2 | 167.8 | 3.6 | 113.3 | F1356 T1359 G1360 N1518 Y1519 L1525 S1526 P1551 S1554 | F1356-R1522 PolarHBondContact O-NH1 3.3Å; T1359-R1522 PolarHBondContact OG1-NH1 2.97Å; G1360-R1522 PolarHBondContact O-NH1 3.49Å; G1360-R1522 VanDerWaalsContact O-NH1 3.12Å; G1360-R1522 PolarHBondContact O-NH2 3.22Å; N1518-R1522 WeakPolarHBondContact O-CG 3.27Å; N1518-R1522 PolarHBondContact O-N 3.25Å; Y1519-R1522 PolarHBondContact O-N 3.08Å; R1522-L1525 PolarHBondContact O-N 3.28Å; R1522-S1526 WeakPolarHBondContact O-CB 3.34Å; R1522-S1526 PolarHBondContact O-N 2.99Å; R1522-S1526 PolarHBondContact O-OG 3.34Å; R1522-P1551 HydrophobicContact CG-CG 4.46Å; R1522-S1554 PolarHBondContact NE-O 2.86Å; R1522-S1554 VanDerWaalsContact NE-O 3.11Å; R1522-S1554 PolarHBondContact NH2-O 3.33Å |
| 1523 | L | 79.2 | Confident | 79.3 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 174 | 179.2 | 158.4 | 0 | 0 | 0 | 111.2 | L567 Y1348 Y1519 Q1520 S1526 N1527 | L567-L1523 HydrophobicContact CB-CD2 4.47Å; L567-L1523 HydrophobicContact CD1-CD2 3.83Å; Y1348-L1523 HydrophobicContact CD2-CD1 3.93Å; Y1348-L1523 HydrophobicContact CE2-CD1 4.07Å; Y1348-L1523 HydrophobicContact CG-CD1 4.23Å; Y1519-L1523 HydrophobicContact CE1-CD1 4Å; Y1519-L1523 WeakPolarHBondContact O-CB 3.05Å; Y1519-L1523 PolarHBondContact O-N 3.19Å; Q1520-L1523 PolarHBondContact O-N 3.08Å; L1523-S1526 PolarHBondContact O-OG 3.23Å; L1523-S1526 VanDerWaalsContact O-OG 3.06Å; L1523-N1527 WeakPolarHBondContact O-CB 3.43Å; L1523-N1527 VanDerWaalsContact O-CG 3.25Å; L1523-N1527 PolarHBondContact O-N 3.21Å; L1523-N1527 VanDerWaalsContact O-N 3.16Å; L1523-N1527 PolarHBondContact O-ND2 2.75Å |
| 1524 | L | 79.8 | Confident | 78 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 173.5 | -172.2 | 159.9 | 0 | 0 | 0 | 111 | L551 F558 Y564 L568 Q1520 Y1521 N1527 S1528 | L551-L1524 HydrophobicContact CD2-CD1 4.45Å; L551-L1524 WeakPolarHBondContact O-CD1 3.2Å; F558-L1524 HydrophobicContact CD2-CD2 4.27Å; Y564-L1524 HydrophobicContact CD2-CD1 4.45Å; L568-L1524 HydrophobicContact CD1-CD1 4.09Å; Q1520-L1524 WeakPolarHBondContact O-CB 3.27Å; Q1520-L1524 PolarHBondContact O-N 2.88Å; Y1521-L1524 PolarHBondContact O-N 2.75Å; L1524-N1527 PolarHBondContact O-N 2.83Å; L1524-S1528 PolarHBondContact O-N 2.96Å |
| 1525 | L | 77.3 | Confident | 76.7 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.5 | -34.1 | 179.2 | -72.1 | 176.7 | 0 | 0 | 0 | 113.8 | F558 Y1521 R1522 N1527 S1528 M1529 P1551 | F558-L1525 HydrophobicContact CD2-CD2 4.42Å; F558-L1525 HydrophobicContact CE2-CD2 3.52Å; F558-L1525 HydrophobicContact CZ-CD2 3.91Å; Y1521-L1525 HydrophobicContact CD1-CD1 4.15Å; Y1521-L1525 HydrophobicContact CD2-CD1 4.21Å; Y1521-L1525 HydrophobicContact CD2-CG 4.31Å; Y1521-L1525 HydrophobicContact CE1-CD1 3.78Å; Y1521-L1525 HydrophobicContact CE2-CD1 3.81Å; Y1521-L1525 HydrophobicContact CE2-CD2 4.45Å; Y1521-L1525 HydrophobicContact CE2-CG 4.06Å; Y1521-L1525 HydrophobicContact CG-CD1 4.37Å; Y1521-L1525 WeakPolarHBondContact O-CB 3.25Å; Y1521-L1525 WeakPolarHBondContact O-CG 3.41Å; Y1521-L1525 PolarHBondContact O-N 3.21Å; R1522-L1525 PolarHBondContact O-N 3.28Å; L1525-N1527 VanDerWaalsContact C-N 3.3Å; L1525-N1527 PolarHBondContact O-N 3.45Å; L1525-S1528 WeakPolarHBondContact CA-OG 3.18Å; L1525-S1528 PolarHBondContact O-N 3.19Å; L1525-S1528 PolarHBondContact O-OG 3.46Å; L1525-M1529 WeakPolarHBondContact O-CB 3.42Å; L1525-M1529 VanDerWaalsContact O-CG 3.25Å; L1525-M1529 WeakPolarHBondContact O-CG 3.35Å; L1525-M1529 PolarHBondContact O-N 3.48Å; L1525-P1551 HydrophobicContact CB-CB 4.49Å; L1525-P1551 HydrophobicContact CB-CG 3.66Å; L1525-P1551 HydrophobicContact CD1-CG 4.28Å |
| 1526 | S | 74.8 | Confident | 75.1 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.063 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | 173.7 | 60 | 0 | 0 | 0 | 0 | 110.7 | R1522 L1523 M1529 I1530 | R1522-S1526 WeakPolarHBondContact O-CB 3.34Å; R1522-S1526 PolarHBondContact O-N 2.99Å; R1522-S1526 PolarHBondContact O-OG 3.34Å; L1523-S1526 PolarHBondContact O-OG 3.23Å; L1523-S1526 VanDerWaalsContact O-OG 3.06Å; S1526-M1529 PolarHBondContact O-N 3.21Å; S1526-I1530 WeakPolarHBondContact O-CB 3.37Å; S1526-I1530 WeakPolarHBondContact O-CD1 3.23Å; S1526-I1530 WeakPolarHBondContact O-CG1 3.02Å; S1526-I1530 PolarHBondContact O-N 2.91Å |
| 1527 | N | 73.9 | Confident | 73.3 | Confident | 33 Ų | 33 | 38.3 Ų | 38.3 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.3 | -30.9 | 175 | -69.2 | -18.3 | 0 | 0 | 0 | 112.2 | I563 L567 L1523 L1524 L1525 K1531 | I563-N1527 HydrophobicContact CD1-CB 4.47Å; I563-N1527 HydrophobicContact CG2-CB 4.36Å; L567-N1527 WeakPolarHBondContact CD1-ND2 3.38Å; L1523-N1527 WeakPolarHBondContact O-CB 3.43Å; L1523-N1527 VanDerWaalsContact O-CG 3.25Å; L1523-N1527 PolarHBondContact O-N 3.21Å; L1523-N1527 VanDerWaalsContact O-N 3.16Å; L1523-N1527 PolarHBondContact O-ND2 2.75Å; L1524-N1527 PolarHBondContact O-N 2.83Å; L1525-N1527 VanDerWaalsContact C-N 3.3Å; L1525-N1527 PolarHBondContact O-N 3.45Å; N1527-K1531 WeakPolarHBondContact O-CB 3.39Å; N1527-K1531 PolarHBondContact O-N 2.87Å |
| 1528 | S | 73.3 | Confident | 71.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.5 | -43.8 | 170.8 | 77.6 | 0 | 0 | 0 | 0 | 112.5 | L1524 L1525 I1530 K1531 L1532 | L1524-S1528 PolarHBondContact O-N 2.96Å; L1525-S1528 WeakPolarHBondContact CA-OG 3.18Å; L1525-S1528 PolarHBondContact O-N 3.19Å; L1525-S1528 PolarHBondContact O-OG 3.46Å; S1528-I1530 VanDerWaalsContact C-N 3.35Å; S1528-I1530 PolarHBondContact O-N 2.67Å; S1528-K1531 PolarHBondContact O-N 2.99Å; S1528-K1531 VanDerWaalsContact O-N 3.14Å; S1528-L1532 WeakPolarHBondContact O-CB 3.21Å; S1528-L1532 WeakPolarHBondContact O-CG 3.47Å; S1528-L1532 PolarHBondContact O-N 3.18Å |
| 1529 | M | 70.2 | Confident | 69 | Low | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 174.6 | -70.8 | -66.7 | -73.5 | 0 | 0 | 112.2 | L484 I487 I488 L1525 S1526 L1532 N1533 | L484-M1529 HydrophobicContact CD2-CE 3.64Å; L484-M1529 HydrophobicContact CD2-SD 4.13Å; I487-M1529 HydrophobicContact CB-SD 4.07Å; I487-M1529 HydrophobicContact CD1-SD 4.47Å; I487-M1529 HydrophobicContact CG2-CG 4.24Å; I487-M1529 HydrophobicContact CG2-SD 3.49Å; I487-M1529 WeakPolarHBondContact CG2-SD 3.13Å; I488-M1529 HydrophobicContact CD1-CE 3.92Å; I488-M1529 HydrophobicContact CG1-CE 3.58Å; L1525-M1529 WeakPolarHBondContact O-CB 3.42Å; L1525-M1529 VanDerWaalsContact O-CG 3.25Å; L1525-M1529 WeakPolarHBondContact O-CG 3.35Å; L1525-M1529 PolarHBondContact O-N 3.48Å; S1526-M1529 PolarHBondContact O-N 3.21Å; M1529-L1532 PolarHBondContact O-N 3.19Å; M1529-N1533 VanDerWaalsContact O-CB 3.27Å; M1529-N1533 WeakPolarHBondContact O-CB 3.37Å; M1529-N1533 VanDerWaalsContact O-CG 3.3Å; M1529-N1533 PolarHBondContact O-N 3.21Å |
| 1530 | I | 68.2 | Low | 67 | Low | 68 Ų | 68 | 59.1 Ų | 59.1 | 35% | 0.349 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 174.1 | -69.9 | 163.3 | 0 | 0 | 0 | 111.3 | S1526 S1528 K1534 | S1526-I1530 WeakPolarHBondContact O-CB 3.37Å; S1526-I1530 WeakPolarHBondContact O-CD1 3.23Å; S1526-I1530 WeakPolarHBondContact O-CG1 3.02Å; S1526-I1530 PolarHBondContact O-N 2.91Å; S1528-I1530 VanDerWaalsContact C-N 3.35Å; S1528-I1530 PolarHBondContact O-N 2.67Å; I1530-K1534 HydrophobicContact CG2-CD 4.49Å; I1530-K1534 WeakPolarHBondContact O-CB 3.3Å; I1530-K1534 WeakPolarHBondContact O-CG 3.22Å; I1530-K1534 PolarHBondContact O-N 3.24Å |
| 1531 | K | 68.3 | Low | 64.8 | Low | 79 Ų | 79 | 65.4 Ų | 65.4 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 176.6 | -172.5 | 177.4 | 177.4 | 178 | 0 | 111.9 | N559 I560 N1527 S1528 K1534 Q1535 | N559-K1531 PolarHBondContact O-NZ 3.5Å; I560-K1531 HydrophobicContact CD1-CD 4.02Å; I560-K1531 HydrophobicContact CG1-CD 3.83Å; N1527-K1531 WeakPolarHBondContact O-CB 3.39Å; N1527-K1531 PolarHBondContact O-N 2.87Å; S1528-K1531 PolarHBondContact O-N 2.99Å; S1528-K1531 VanDerWaalsContact O-N 3.14Å; K1531-K1534 PolarHBondContact O-N 3.28Å; K1531-Q1535 WeakPolarHBondContact O-CG 3.31Å; K1531-Q1535 PolarHBondContact O-N 3.31Å |
| 1532 | L | 67.1 | Low | 62.5 | Low | 20 Ų | 20 | 73 Ų | 73 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.1 | -41.6 | 179.3 | -69.8 | 168.5 | 0 | 0 | 0 | 112.3 | L484 I487 S1528 M1529 K1534 Q1535 S1536 | L484-L1532 HydrophobicContact CD1-CB 3.95Å; L484-L1532 HydrophobicContact CG-CB 4.34Å; I487-L1532 HydrophobicContact CD1-CD1 3.73Å; S1528-L1532 WeakPolarHBondContact O-CB 3.21Å; S1528-L1532 WeakPolarHBondContact O-CG 3.47Å; S1528-L1532 PolarHBondContact O-N 3.18Å; M1529-L1532 PolarHBondContact O-N 3.19Å; L1532-K1534 VanDerWaalsContact C-N 3.29Å; L1532-K1534 PolarHBondContact O-N 2.66Å; L1532-Q1535 CarbonylContact O-C 3.56Å; L1532-Q1535 WeakPolarHBondContact O-CA 3.34Å; L1532-Q1535 WeakPolarHBondContact O-CB 3.27Å; L1532-Q1535 PolarHBondContact O-N 2.81Å; L1532-S1536 PolarHBondContact O-N 3.2Å |
| 1533 | N | 64.7 | Low | 60.5 | Low | 63 Ų | 63 | 79.4 Ų | 79.4 | 34% | 0.337 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 174.9 | -77.3 | -3.4 | 0 | 0 | 0 | 112.2 | L484 M1529 Q1535 S1536 | L484-N1533 WeakPolarHBondContact CD1-OD1 3.37Å; M1529-N1533 VanDerWaalsContact O-CB 3.27Å; M1529-N1533 WeakPolarHBondContact O-CB 3.37Å; M1529-N1533 VanDerWaalsContact O-CG 3.3Å; M1529-N1533 PolarHBondContact O-N 3.21Å; N1533-Q1535 PolarHBondContact O-N 2.82Å; N1533-S1536 PolarHBondContact O-N 3.37Å; N1533-S1536 PolarHBondContact O-OG 2.91Å |
| 1534 | K | 64.3 | Low | 58.3 | Low | 169 Ų | 169 | 88.5 Ų | 88.5 | 74% | 0.735 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -10.3 | 171.3 | -77.8 | 180 | 175.8 | -173.4 | 0 | 113.8 | I1530 K1531 L1532 | I1530-K1534 HydrophobicContact CG2-CD 4.49Å; I1530-K1534 WeakPolarHBondContact O-CB 3.3Å; I1530-K1534 WeakPolarHBondContact O-CG 3.22Å; I1530-K1534 PolarHBondContact O-N 3.24Å; K1531-K1534 PolarHBondContact O-N 3.28Å; L1532-K1534 VanDerWaalsContact C-N 3.29Å; L1532-K1534 PolarHBondContact O-N 2.66Å |
| 1535 | Q | 61.9 | Low | 56.3 | Low | 101 Ų | 101 | 96.6 Ų | 96.6 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -6.7 | 178.6 | -67.2 | 176.1 | -52 | 0 | 0 | 113.6 | K1531 L1532 N1533 | K1531-Q1535 WeakPolarHBondContact O-CG 3.31Å; K1531-Q1535 PolarHBondContact O-N 3.31Å; L1532-Q1535 CarbonylContact O-C 3.56Å; L1532-Q1535 WeakPolarHBondContact O-CA 3.34Å; L1532-Q1535 WeakPolarHBondContact O-CB 3.27Å; L1532-Q1535 PolarHBondContact O-N 2.81Å; N1533-Q1535 PolarHBondContact O-N 2.82Å |
| 1536 | S | 55.1 | Low | 54.6 | Low | 42 Ų | 42 | 101.7 Ų | 101.7 | 29% | 0.294 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -104.3 | -2.8 | -170.5 | 62.2 | 0 | 0 | 0 | 0 | 116 | L1532 N1533 L1538 | L1532-S1536 PolarHBondContact O-N 3.2Å; N1533-S1536 PolarHBondContact O-N 3.37Å; N1533-S1536 PolarHBondContact O-OG 2.91Å; S1536-L1538 PolarHBondContact O-N 3.36Å |
| 1537 | H | 51.6 | Low | 53.2 | Low | 174 Ų | 174 | 105.5 Ų | 105.5 | 81% | 0.806 | 55% | 0.545 | S | S | * | . | trans | 54.9 | 5.9 | 165.7 | -84.2 | -71.1 | 0 | 0 | 0 | 119.5 | T1539 | H1537-T1539 PolarHBondContact O-N 2.95Š| ||
| 1538 | L | 48.1 | Very low | 52.1 | Low | 157 Ų | 157 | 107.8 Ų | 107.8 | 82% | 0.822 | 56% | 0.556 | S | S | * | * | trans | -65.5 | 114.4 | -178.1 | -84.4 | 164.6 | 0 | 0 | 0 | 112.8 | S1536 L1540 | S1536-L1538 PolarHBondContact O-N 3.36Å; L1538-L1540 PolarHBondContact O-N 3.34Å | ||
| 1539 | T | 38.3 | Very low | 51.2 | Low | 127 Ų | 127 | 113 Ų | 113 | 78% | 0.779 | 58% | 0.582 | S | S | * | * | trans | -79.9 | 103.8 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 111.5 | H1537 | H1537-T1539 PolarHBondContact O-N 2.95Š| ||
| 1540 | L | 42.4 | Very low | 50.6 | Low | 162 Ų | 162 | 113.6 Ų | 113.6 | 85% | 0.848 | 59% | 0.587 | S | S | * | * | trans | -117 | 136.8 | 162.2 | -79.8 | 167.6 | 0 | 0 | 0 | 109.2 | L1538 N1542 | L1538-L1540 PolarHBondContact O-N 3.34Å; L1540-N1542 PolarHBondContact O-N 2.7Å | ||
| 1541 | N | 37.6 | Very low | 50.3 | Low | 140 Ų | 140 | 111.3 Ų | 111.3 | 75% | 0.749 | 58% | 0.577 | S | S | * | * | trans | -73.4 | 115.1 | -158.7 | -66 | -22.9 | 0 | 0 | 0 | 114.2 | D1543 | N1541-D1543 VanDerWaalsContact C-N 3.29Å; N1541-D1543 PolarHBondContact O-N 3.12Å | ||
| 1542 | N | 37.5 | Very low | 50.1 | Low | 159 Ų | 159 | 109 Ų | 109 | 85% | 0.85 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 42.8 | -23.8 | 142.8 | -66.5 | 1.9 | 0 | 0 | 0 | 123.9 | L1540 | L1540-N1542 PolarHBondContact O-N 2.7Š|
| 1543 | D | 36.2 | Very low | 50.3 | Low | 146 Ų | 146 | 110.8 Ų | 110.8 | 78% | 0.781 | 58% | 0.579 | S | S | * | * | trans | -96.6 | 0.2 | -168.1 | -73.3 | -35 | 0 | 0 | 0 | 115.4 | N1541 | N1541-D1543 VanDerWaalsContact C-N 3.29Å; N1541-D1543 PolarHBondContact O-N 3.12Å | ||
| 1544 | Y | 33.7 | Very low | 50.8 | Low | 195 Ų | 195 | 107.8 Ų | 107.8 | 77% | 0.765 | 56% | 0.563 | S | S | * | * | trans | -110.4 | 92.9 | -179.5 | -76.9 | -81.5 | 0 | 0 | 0 | 113.3 | S1546 | Y1544-S1546 PolarHBondContact O-N 3.41Š| ||
| 1545 | H | 38.6 | Very low | 51.7 | Low | 175 Ų | 175 | 99.8 Ų | 99.8 | 81% | 0.81 | 53% | 0.528 | S | S | * | . | trans | -61.8 | 97 | 173.3 | -105.9 | -74.4 | 0 | 0 | 0 | 112.7 | S1547 | H1545-S1547 VanDerWaalsContact C-N 3.32Å; H1545-S1547 PolarHBondContact O-N 2.88Å | ||
| 1546 | S | 40.7 | Very low | 52.9 | Low | 108 Ų | 108 | 95 Ų | 95 | 76% | 0.755 | 51% | 0.506 | S | S | * | . | trans | 46.6 | 38.3 | 140.3 | 61.3 | 0 | 0 | 0 | 0 | 118.1 | Y1544 | Y1544-S1546 PolarHBondContact O-N 3.41Š| ||
| 1547 | S | 46 | Very low | 54.5 | Low | 90 Ų | 90 | 93.3 Ų | 93.3 | 63% | 0.629 | 49% | 0.494 | S | S | * | . | trans | -80.5 | 132.3 | 171.3 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | H1545 I1549 | H1545-S1547 VanDerWaalsContact C-N 3.32Å; H1545-S1547 PolarHBondContact O-N 2.88Å; S1547-I1549 PolarHBondContact O-N 3.06Å | ||
| 1548 | M | 50.9 | Low | 56.3 | Low | 81 Ų | 81 | 85.1 Ų | 85.1 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | trans | -68.4 | 115.8 | -174.4 | -71.6 | -177.6 | 175.2 | 0 | 0 | 111.6 | T1351 S1550 | T1351-M1548 HydrophobicContact CG2-CE 4.32Å; T1351-M1548 HydrophobicContact CG2-SD 3.94Å; M1548-S1550 VanDerWaalsContact C-N 3.33Å; M1548-S1550 PolarHBondContact O-N 3.43Å | ||
| 1549 | I | 53.1 | Low | 58.2 | Low | 109 Ų | 109 | 77.7 Ų | 77.7 | 56% | 0.559 | 42% | 0.417 | S | S | * | . | trans | -69 | 90.4 | 169.6 | -57.4 | 172.7 | 0 | 0 | 0 | 108.4 | S1547 | S1547-I1549 PolarHBondContact O-N 3.06Š| ||
| 1550 | S | 57.3 | Low | 60.7 | Low | 21 Ų | 21 | 71.6 Ų | 71.6 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | trans | -80.7 | 130.2 | 176.3 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | F1356 M1548 T1552 | F1356-S1550 WeakPolarHBondContact CB-OG 3.22Å; M1548-S1550 VanDerWaalsContact C-N 3.33Å; M1548-S1550 PolarHBondContact O-N 3.43Å; S1550-T1552 VanDerWaalsContact C-N 3.35Å; S1550-T1552 PolarHBondContact O-N 3.46Å | ||
| 1551 | P | 63.6 | Low | 62.8 | Low | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | trans | -76.6 | 80.5 | -177 | 30 | -34 | 0 | 0 | 0 | 111.8 | R1522 L1525 N1553 S1554 | R1522-P1551 HydrophobicContact CG-CG 4.46Å; L1525-P1551 HydrophobicContact CB-CB 4.49Å; L1525-P1551 HydrophobicContact CB-CG 3.66Å; L1525-P1551 HydrophobicContact CD1-CG 4.28Å; P1551-N1553 VanDerWaalsContact C-N 3.29Å; P1551-N1553 PolarHBondContact O-N 2.79Å; P1551-S1554 WeakPolarHBondContact O-CB 3.49Å; P1551-S1554 PolarHBondContact O-N 3.14Å; P1551-S1554 VanDerWaalsContact O-N 3.11Å; P1551-S1554 PolarHBondContact O-OG 3.4Å | ||
| 1552 | T | 64.3 | Low | 65.1 | Low | 30 Ų | 30 | 59.5 Ų | 59.5 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -34.8 | -178.8 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | F1356 S1550 S1554 | F1356-T1552 HydrophobicContact CD1-CG2 3.7Å; F1356-T1552 HydrophobicContact CE1-CG2 4.29Å; F1356-T1552 HydrophobicContact CG-CG2 4.31Å; S1550-T1552 VanDerWaalsContact C-N 3.35Å; S1550-T1552 PolarHBondContact O-N 3.46Å; T1552-S1554 PolarHBondContact O-N 3.42Å; T1552-S1554 VanDerWaalsContact O-N 3.15Å |
| 1553 | N | 69.5 | Low | 67.1 | Low | 58 Ų | 58 | 52.1 Ų | 52.1 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 9 | 175.6 | -71.7 | -26.9 | 0 | 0 | 0 | 114.7 | N492 P1551 | N492-N1553 PolarHBondContact N-O 3.34Å; P1551-N1553 VanDerWaalsContact C-N 3.29Å; P1551-N1553 PolarHBondContact O-N 2.79Å |
| 1554 | S | 76.3 | Confident | 68.9 | Low | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 146.7 | 179.2 | 73.5 | 0 | 0 | 0 | 0 | 113.2 | N492 R1522 P1551 T1552 | N492-S1554 WeakPolarHBondContact O-CA 3.42Å; R1522-S1554 PolarHBondContact NE-O 2.86Å; R1522-S1554 VanDerWaalsContact NE-O 3.11Å; R1522-S1554 PolarHBondContact NH2-O 3.33Å; P1551-S1554 WeakPolarHBondContact O-CB 3.49Å; P1551-S1554 PolarHBondContact O-N 3.14Å; P1551-S1554 VanDerWaalsContact O-N 3.11Å; P1551-S1554 PolarHBondContact O-OG 3.4Å; T1552-S1554 PolarHBondContact O-N 3.42Å; T1552-S1554 VanDerWaalsContact O-N 3.15Å |
| 1555 | G | 81.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | 172.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N492 I493 L494 N1518 | N492-G1555 PolarHBondContact O-N 3.08Å; N492-G1555 VanDerWaalsContact O-N 3.13Å; I493-G1555 WeakPolarHBondContact CA-O 3.39Å; L494-G1555 PolarHBondContact N-O 2.91Å; L494-G1555 VanDerWaalsContact N-O 3.13Å; N1518-G1555 VanDerWaalsContact OD1-CA 3.27Å; N1518-G1555 WeakPolarHBondContact OD1-CA 3.44Å |
| 1556 | I | 88 | Confident | 71.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116.6 | -178.9 | -59.8 | 174.1 | 0 | 0 | 0 | 109.1 | L494 I547 F550 N1514 N1518 Y1521 V1558 | L494-I1556 HydrophobicContact CB-CG1 4.38Å; L494-I1556 HydrophobicContact CD2-CG2 4.23Å; I547-I1556 HydrophobicContact CD1-CG2 4.05Å; I547-I1556 HydrophobicContact CG1-CG2 4.46Å; I547-I1556 HydrophobicContact CG2-CD1 3.72Å; F550-I1556 HydrophobicContact CD1-CD1 4.03Å; F550-I1556 HydrophobicContact CE1-CD1 3.97Å; F550-I1556 HydrophobicContact CE1-CG1 4.32Å; N1514-I1556 PolarHBondContact ND2-O 3.28Å; N1514-I1556 VanDerWaalsContact ND2-O 3.11Å; N1514-I1556 PolarHBondContact OD1-O 3.3Å; N1518-I1556 PolarHBondContact ND2-O 2.88Å; N1518-I1556 PolarHBondContact OD1-N 3.05Å; Y1521-I1556 HydrophobicContact CD1-CD1 4.19Å; Y1521-I1556 HydrophobicContact CD1-CG1 3.91Å; Y1521-I1556 HydrophobicContact CE1-CG1 4.39Å; Y1521-I1556 HydrophobicContact CG-CD1 4.02Å; Y1521-I1556 HydrophobicContact CG-CG1 4.27Å; I1556-V1558 HydrophobicContact CG2-CG2 4.33Å |
| 1557 | I | 88.3 | Confident | 72.6 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 97.2 | -179.5 | -53.6 | 174 | 0 | 0 | 0 | 108.6 | I493 L494 S495 I496 D1308 I1361 Y1369 | I493-I1557 HydrophobicContact CG2-CD1 3.57Å; I493-I1557 HydrophobicContact CG2-CG1 4.04Å; L494-I1557 PolarHBondContact O-N 2.87Å; S495-I1557 WeakPolarHBondContact CA-O 3.28Å; I496-I1557 PolarHBondContact N-O 3.41Å; D1308-I1557 HydrophobicContact CB-CG2 4.09Å; I1361-I1557 HydrophobicContact CD1-CB 4.49Å; I1361-I1557 HydrophobicContact CD1-CG1 3.99Å; I1361-I1557 HydrophobicContact CG1-CG1 4.32Å; Y1369-I1557 HydrophobicContact CD2-CD1 3.6Å; Y1369-I1557 HydrophobicContact CE2-CD1 3.79Å; Y1369-I1557 HydrophobicContact CE2-CG2 4.36Å; Y1369-I1557 HydrophobicContact CG-CD1 4.46Å |
| 1558 | V | 89.8 | Confident | 72.9 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 139.6 | 165.3 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | I496 L498 F539 Q543 I547 I1309 I1556 | I496-V1558 CarbonylContact O-C 3.36Å; L498-V1558 HydrophobicContact CD1-CG1 4.29Å; F539-V1558 HydrophobicContact CE1-CG1 4.4Å; F539-V1558 HydrophobicContact CZ-CG1 4.42Å; Q543-V1558 HydrophobicContact CG-CG2 4.27Å; I547-V1558 HydrophobicContact CD1-CG2 3.6Å; I1309-V1558 WeakPolarHBondContact CB-O 3.24Å; I1309-V1558 HydrophobicContact CD1-CG1 4.24Å; I1309-V1558 PolarHBondContact N-O 2.89Å; I1556-V1558 HydrophobicContact CG2-CG2 4.33Å |
| 1559 | A | 88.8 | Confident | 73 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I496 T497 L498 M1307 D1308 | I496-A1559 PolarHBondContact O-N 3.48Å; T497-A1559 CarbonylContact C-O 3.47Å; T497-A1559 WeakPolarHBondContact CA-O 3.45Å; T497-A1559 HydrophobicContact CG2-CB 3.56Å; L498-A1559 PolarHBondContact N-O 2.89Å; M1307-A1559 CarbonylContact O-C 3.6Å; M1307-A1559 VanDerWaalsContact O-CA 3.31Å; M1307-A1559 WeakPolarHBondContact O-CA 3.27Å; D1308-A1559 HydrophobicContact CB-CB 4.48Å; D1308-A1559 WeakPolarHBondContact OD1-CB 3.48Å |
| 1560 | T | 89.2 | Confident | 72.9 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.6 | 174.1 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | I505 T508 M1307 I1309 | I505-T1560 VanDerWaalsContact CG2-OG1 3.24Å; I505-T1560 WeakPolarHBondContact CG2-OG1 3.42Å; T508-T1560 HydrophobicContact CG2-CG2 4.12Å; M1307-T1560 HydrophobicContact CB-CG2 3.99Å; M1307-T1560 HydrophobicContact CE-CG2 3.59Å; M1307-T1560 PolarHBondContact N-O 2.91Å; M1307-T1560 WeakPolarHBondContact O-CG2 3.23Å; M1307-T1560 PolarHBondContact O-N 3.36Å; I1309-T1560 HydrophobicContact CD1-CG2 4.09Å; I1309-T1560 HydrophobicContact CG1-CG2 4.21Å |
| 1561 | H | 87.5 | Confident | 72.5 | Confident | 44 Ų | 44 | 34.7 Ų | 34.7 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | trans | -150.5 | 100.5 | 176.7 | -179.9 | -147.2 | 0 | 0 | 0 | 110.7 | T497 L498 R499 K1306 | T497-H1561 HydrophobicContact CG2-CB 4.37Å; L498-H1561 PolarHBondContact O-N 2.97Å; R499-H1561 VanDerWaalsContact CA-O 3.27Å; R499-H1561 WeakPolarHBondContact CA-O 3.33Å; R499-H1561 WeakPolarHBondContact CB-O 3.37Å; R499-H1561 HydrophobicContact CG-CB 4.33Å; R499-H1561 WeakPolarHBondContact CG-O 3.48Å; R499-H1561 PolarHBondContact NE-ND1 3.35Å; R499-H1561 PolarHBondContact NE-O 3.43Å; R499-H1561 PolarHBondContact NH2-CE1 3.28Å; K1306-H1561 HydrophobicContact CB-CB 4.02Å | ||
| 1562 | P | 85.3 | Confident | 72 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 163.5 | -177.7 | 24.4 | -34 | 0 | 0 | 0 | 113.4 | R499 P502 Q1304 | R499-P1562 PolarHBondContact NH2-O 2.7Å; P502-P1562 HydrophobicContact CB-CB 4.24Å; Q1304-P1562 HydrophobicContact CB-CG 3.97Å; Q1304-P1562 HydrophobicContact CG-CG 4.49Å |
| 1563 | L | 80.6 | Confident | 71.5 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -78.5 | 156.8 | 162.4 | -67.2 | 174 | 0 | 0 | 0 | 110.4 | M445 Q449 N500 P502 | M445-L1563 HydrophobicContact CB-CD1 4.38Å; M445-L1563 HydrophobicContact CB-CD2 4.07Å; M445-L1563 HydrophobicContact CE-CD1 4.06Å; Q449-L1563 HydrophobicContact CG-CD1 4.1Å; N500-L1563 PolarHBondContact O-N 2.69Å; P502-L1563 WeakPolarHBondContact CD-O 3.16Å |
| 1564 | P | 73.2 | Confident | 70.9 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -55.7 | 166 | 163.6 | 28 | -36.5 | 0 | 0 | 0 | 110.8 | Q449 | Q449-P1564 PolarHBondContact NE2-O 2.82Å; Q449-P1564 PolarHBondContact OE1-O 2.94Å |
| 1565 | Y | 68.5 | Low | 70 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 153.7 | 178.6 | -69.4 | -83.5 | 0 | 0 | 0 | 111.9 | P502 E507 Q1304 I1569 K1573 | P502-Y1565 HydrophobicContact CB-CD1 4.28Å; P502-Y1565 HydrophobicContact CB-CE1 3.61Å; P502-Y1565 HydrophobicContact CG-CD1 3.56Å; P502-Y1565 HydrophobicContact CG-CE1 3.42Å; P502-Y1565 VanDerWaalsContact CG-CE1 3.42Å; P502-Y1565 HydrophobicContact CG-CE2 4.48Å; P502-Y1565 HydrophobicContact CG-CG 4.18Å; E507-Y1565 WeakPolarHBondContact CG-OH 3.49Å; E507-Y1565 PolarHBondContact OE1-OH 3.31Å; E507-Y1565 PolarHBondContact OE2-OH 2.77Å; Q1304-Y1565 PolarHBondContact NE2-OH 2.88Å; Y1565-I1569 HydrophobicContact CD1-CB 3.93Å; Y1565-I1569 HydrophobicContact CD1-CD1 4.46Å; Y1565-I1569 HydrophobicContact CD1-CG2 3.46Å; Y1565-I1569 VanDerWaalsContact CD1-CG2 3.46Å; Y1565-I1569 HydrophobicContact CE1-CG2 3.98Å; Y1565-I1569 HydrophobicContact CG-CG2 4.4Å; Y1565-K1573 HydrophobicContact CD2-CD 4.39Å; Y1565-K1573 HydrophobicContact CE2-CD 4.18Å; Y1565-K1573 VanDerWaalsContact CE2-NZ 3.35Å; Y1565-K1573 VanDerWaalsContact CZ-NZ 3.3Å; Y1565-K1573 PolarHBondContact OH-NZ 3.43Å |
| 1566 | T | 63.9 | Low | 68.9 | Low | 10 Ų | 10 | 44.8 Ų | 44.8 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 150.1 | 161.6 | 54.3 | 0 | 0 | 0 | 0 | 109.1 | Q449 N450 T1568 I1569 E1570 | Q449-T1566 HydrophobicContact CB-CG2 4.04Å; Q449-T1566 HydrophobicContact CG-CG2 3.65Å; N450-T1566 WeakPolarHBondContact OD1-CB 3.45Å; N450-T1566 WeakPolarHBondContact OD1-CG2 3.34Å; T1566-T1568 PolarHBondContact O-N 2.76Å; T1566-T1568 PolarHBondContact OG1-OG1 3.18Å; T1566-I1569 WeakPolarHBondContact O-CA 3.42Å; T1566-I1569 PolarHBondContact O-N 3.27Å; T1566-I1569 WeakPolarHBondContact OG1-CD1 3.46Å; T1566-I1569 WeakPolarHBondContact OG1-CG1 3.35Å; T1566-E1570 PolarHBondContact O-N 3.1Å |
| 1567 | D | 59.3 | Low | 67.7 | Low | 117 Ų | 117 | 47.4 Ų | 47.4 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -49.3 | -36.4 | -177.9 | -24.6 | -20.4 | 0 | 0 | 0 | 111.9 | I1569 E1570 Y1571 | D1567-I1569 PolarHBondContact O-N 2.99Å; D1567-E1570 PolarHBondContact O-N 2.98Å; D1567-Y1571 PolarHBondContact O-N 3.23Å |
| 1568 | T | 52.2 | Low | 66.5 | Low | 100 Ų | 100 | 48.4 Ų | 48.4 | 61% | 0.613 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.1 | -23.6 | 177.6 | 51.1 | 0 | 0 | 0 | 0 | 115.4 | T1566 | T1566-T1568 PolarHBondContact O-N 2.76Å; T1566-T1568 PolarHBondContact OG1-OG1 3.18Å |
| 1569 | I | 51.7 | Low | 65.4 | Low | 31 Ų | 31 | 53.9 Ų | 53.9 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -99.9 | -31 | 172.9 | -52.5 | 166 | 0 | 0 | 0 | 109.6 | L503 Y1565 T1566 D1567 Y1571 N1572 | L503-I1569 HydrophobicContact CD1-CD1 3.82Å; L503-I1569 HydrophobicContact CD2-CD1 3.94Å; L503-I1569 HydrophobicContact CG-CD1 3.69Å; Y1565-I1569 HydrophobicContact CD1-CB 3.93Å; Y1565-I1569 HydrophobicContact CD1-CD1 4.46Å; Y1565-I1569 HydrophobicContact CD1-CG2 3.46Å; Y1565-I1569 VanDerWaalsContact CD1-CG2 3.46Å; Y1565-I1569 HydrophobicContact CE1-CG2 3.98Å; Y1565-I1569 HydrophobicContact CG-CG2 4.4Å; T1566-I1569 WeakPolarHBondContact O-CA 3.42Å; T1566-I1569 PolarHBondContact O-N 3.27Å; T1566-I1569 WeakPolarHBondContact OG1-CD1 3.46Å; T1566-I1569 WeakPolarHBondContact OG1-CG1 3.35Å; D1567-I1569 PolarHBondContact O-N 2.99Å; I1569-Y1571 PolarHBondContact O-N 3.46Å; I1569-N1572 WeakPolarHBondContact O-CB 3.23Å; I1569-N1572 PolarHBondContact O-N 2.99Å |
| 1570 | E | 52.1 | Low | 64.4 | Low | 96 Ų | 96 | 55.5 Ų | 55.5 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.6 | -39.2 | 169.2 | -153.1 | 171.3 | -140.7 | 0 | 0 | 110.3 | T1566 D1567 N1572 K1573 I1574 | T1566-E1570 PolarHBondContact O-N 3.1Å; D1567-E1570 PolarHBondContact O-N 2.98Å; E1570-N1572 PolarHBondContact O-N 3.02Å; E1570-K1573 CarbonylContact O-C 3.57Å; E1570-K1573 WeakPolarHBondContact O-CA 3.15Å; E1570-K1573 PolarHBondContact O-N 2.92Å; E1570-I1574 HydrophobicContact CB-CD1 4.24Å; E1570-I1574 HydrophobicContact CG-CD1 3.9Å; E1570-I1574 HydrophobicContact CG-CG1 4.09Å; E1570-I1574 VanDerWaalsContact O-CG1 3.28Å; E1570-I1574 WeakPolarHBondContact O-CG1 3.37Å; E1570-I1574 PolarHBondContact O-N 2.87Å |
| 1571 | Y | 49 | Very low | 63.4 | Low | 103 Ų | 103 | 56.6 Ų | 56.6 | 40% | 0.404 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -41.4 | -42.2 | 166.4 | -174.7 | -92.6 | 0 | 0 | 0 | 114 | D1567 I1569 N1575 F1767 L1771 | D1567-Y1571 PolarHBondContact O-N 3.23Å; I1569-Y1571 PolarHBondContact O-N 3.46Å; Y1571-N1575 WeakPolarHBondContact CD1-ND2 3.39Å; Y1571-N1575 VanDerWaalsContact CE1-ND2 3.25Å; Y1571-N1575 WeakPolarHBondContact CE1-ND2 3.27Å; Y1571-N1575 WeakPolarHBondContact O-CB 3.26Å; Y1571-N1575 PolarHBondContact O-N 3.41Å; Y1571-N1575 PolarHBondContact O-ND2 3.3Å; Y1571-F1767 HydrophobicContact CD2-CZ 4.1Å; Y1571-F1767 AromaticContact CE2-CZ 3.76Å; Y1571-F1767 HydrophobicContact CE2-CZ 3.76Å; Y1571-L1771 HydrophobicContact CD2-CD1 4.45Å |
| 1572 | N | 52.4 | Low | 62.7 | Low | 99 Ų | 99 | 56 Ų | 56 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.6 | -24.1 | 179.3 | -73.7 | -32 | 0 | 0 | 0 | 114.2 | I1569 E1570 | I1569-N1572 WeakPolarHBondContact O-CB 3.23Å; I1569-N1572 PolarHBondContact O-N 2.99Å; E1570-N1572 PolarHBondContact O-N 3.02Å |
| 1573 | K | 53.5 | Low | 62.2 | Low | 76 Ų | 76 | 58.5 Ų | 58.5 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -89.3 | -34.7 | 173.8 | -66.3 | -167.2 | 170.8 | -171.9 | 0 | 111.7 | E507 Y1565 E1570 N1575 D1576 D1577 | E507-K1573 IonicContact OE1-NZ 2.74Å; E507-K1573 PolarHBondContact OE1-NZ 3.43Å; E507-K1573 IonicContact OE2-NZ 2.72Å; E507-K1573 PolarHBondContact OE2-NZ 3.03Å; Y1565-K1573 HydrophobicContact CD2-CD 4.39Å; Y1565-K1573 HydrophobicContact CE2-CD 4.18Å; Y1565-K1573 VanDerWaalsContact CE2-NZ 3.35Å; Y1565-K1573 VanDerWaalsContact CZ-NZ 3.3Å; Y1565-K1573 PolarHBondContact OH-NZ 3.43Å; E1570-K1573 CarbonylContact O-C 3.57Å; E1570-K1573 WeakPolarHBondContact O-CA 3.15Å; E1570-K1573 PolarHBondContact O-N 2.92Å; K1573-N1575 PolarHBondContact O-N 3.37Å; K1573-D1576 WeakPolarHBondContact O-CA 3.38Å; K1573-D1576 WeakPolarHBondContact O-CB 3.28Å; K1573-D1576 PolarHBondContact O-N 2.81Å; K1573-D1577 PolarHBondContact O-N 3.31Å |
| 1574 | I | 57.3 | Low | 62.2 | Low | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -31.8 | 167 | -57.1 | 164.1 | 0 | 0 | 0 | 110 | E1570 D1576 D1577 I1578 F1767 L1771 | E1570-I1574 HydrophobicContact CB-CD1 4.24Å; E1570-I1574 HydrophobicContact CG-CD1 3.9Å; E1570-I1574 HydrophobicContact CG-CG1 4.09Å; E1570-I1574 VanDerWaalsContact O-CG1 3.28Å; E1570-I1574 WeakPolarHBondContact O-CG1 3.37Å; E1570-I1574 PolarHBondContact O-N 2.87Å; I1574-D1576 PolarHBondContact O-N 3.44Å; I1574-D1577 CarbonylContact O-C 3.57Å; I1574-D1577 PolarHBondContact O-N 2.75Å; I1574-D1577 VanDerWaalsContact O-N 3.1Å; I1574-I1578 WeakPolarHBondContact O-CG1 3.4Å; I1574-I1578 PolarHBondContact O-N 3.04Å; I1574-F1767 HydrophobicContact CB-CE2 4.31Å; I1574-F1767 HydrophobicContact CG2-CD2 3.4Å; I1574-F1767 HydrophobicContact CG2-CE2 3.58Å; I1574-L1771 HydrophobicContact CD1-CD2 3.7Å; I1574-L1771 HydrophobicContact CD1-CG 4.47Å |
| 1575 | N | 57.9 | Low | 62.4 | Low | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.219 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -22.8 | 168.5 | -82 | -37 | 0 | 0 | 0 | 113.8 | Y1571 K1573 I1578 K1579 | Y1571-N1575 WeakPolarHBondContact CD1-ND2 3.39Å; Y1571-N1575 VanDerWaalsContact CE1-ND2 3.25Å; Y1571-N1575 WeakPolarHBondContact CE1-ND2 3.27Å; Y1571-N1575 WeakPolarHBondContact O-CB 3.26Å; Y1571-N1575 PolarHBondContact O-N 3.41Å; Y1571-N1575 PolarHBondContact O-ND2 3.3Å; K1573-N1575 PolarHBondContact O-N 3.37Å; N1575-I1578 WeakPolarHBondContact OD1-CD1 3.45Å; N1575-K1579 WeakPolarHBondContact O-CD 3.42Å; N1575-K1579 WeakPolarHBondContact O-CE 3.35Å; N1575-K1579 VanDerWaalsContact O-CG 3.26Å; N1575-K1579 WeakPolarHBondContact O-CG 3.29Å; N1575-K1579 PolarHBondContact O-N 3.44Å |
| 1576 | D | 59.1 | Low | 63 | Low | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -81.7 | -35.1 | 169.8 | -74 | -30.5 | 0 | 0 | 0 | 112 | K1573 I1574 K1579 A1580 | K1573-D1576 WeakPolarHBondContact O-CA 3.38Å; K1573-D1576 WeakPolarHBondContact O-CB 3.28Å; K1573-D1576 PolarHBondContact O-N 2.81Å; I1574-D1576 PolarHBondContact O-N 3.44Å; D1576-K1579 WeakPolarHBondContact O-CB 3.48Å; D1576-K1579 PolarHBondContact O-N 2.93Å; D1576-K1579 WeakPolarHBondContact OD1-CD 3.41Å; D1576-K1579 IonicContact OD1-NZ 2.78Å; D1576-K1579 PolarHBondContact OD1-NZ 3.03Å; D1576-A1580 PolarHBondContact O-N 2.9Å |
| 1577 | D | 62.2 | Low | 63.9 | Low | 55 Ų | 55 | 56.7 Ų | 56.7 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 168.8 | -79.6 | -21.5 | 0 | 0 | 0 | 111.9 | K1573 I1574 K1579 A1580 D1581 | K1573-D1577 PolarHBondContact O-N 3.31Å; I1574-D1577 CarbonylContact O-C 3.57Å; I1574-D1577 PolarHBondContact O-N 2.75Å; I1574-D1577 VanDerWaalsContact O-N 3.1Å; D1577-K1579 VanDerWaalsContact C-N 3.29Å; D1577-K1579 PolarHBondContact O-N 2.83Å; D1577-A1580 WeakPolarHBondContact O-CA 3.25Å; D1577-A1580 WeakPolarHBondContact O-CB 3.36Å; D1577-A1580 PolarHBondContact O-N 3.05Å; D1577-D1581 PolarHBondContact O-N 2.98Å |
| 1578 | I | 63.3 | Low | 65.1 | Low | 29 Ų | 29 | 51.2 Ų | 51.2 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 171.7 | -67.3 | 161.6 | 0 | 0 | 0 | 110.8 | I1574 N1575 A1580 D1581 Y1582 F1767 | I1574-I1578 WeakPolarHBondContact O-CG1 3.4Å; I1574-I1578 PolarHBondContact O-N 3.04Å; N1575-I1578 WeakPolarHBondContact OD1-CD1 3.45Å; I1578-A1580 VanDerWaalsContact C-N 3.29Å; I1578-A1580 PolarHBondContact O-N 3.45Å; I1578-D1581 PolarHBondContact O-N 3.35Å; I1578-Y1582 WeakPolarHBondContact O-CB 3.36Å; I1578-Y1582 PolarHBondContact O-N 3.16Å; I1578-F1767 HydrophobicContact CD1-CD1 4.3Å; I1578-F1767 HydrophobicContact CD1-CD2 3.32Å; I1578-F1767 HydrophobicContact CD1-CE1 4.28Å; I1578-F1767 HydrophobicContact CD1-CE2 3.29Å; I1578-F1767 HydrophobicContact CD1-CG 3.83Å; I1578-F1767 HydrophobicContact CD1-CZ 3.78Å; I1578-F1767 HydrophobicContact CG1-CB 4.4Å; I1578-F1767 HydrophobicContact CG1-CD2 3.77Å; I1578-F1767 HydrophobicContact CG1-CE2 4.22Å; I1578-F1767 HydrophobicContact CG1-CG 4.18Å |
| 1579 | K | 66 | Low | 66.7 | Low | 117 Ų | 117 | 46.5 Ų | 46.5 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 176 | -68.6 | 161.6 | -153.8 | 157.9 | 0 | 110.8 | N1575 D1576 D1577 L1583 | N1575-K1579 WeakPolarHBondContact O-CD 3.42Å; N1575-K1579 WeakPolarHBondContact O-CE 3.35Å; N1575-K1579 VanDerWaalsContact O-CG 3.26Å; N1575-K1579 WeakPolarHBondContact O-CG 3.29Å; N1575-K1579 PolarHBondContact O-N 3.44Å; D1576-K1579 WeakPolarHBondContact O-CB 3.48Å; D1576-K1579 PolarHBondContact O-N 2.93Å; D1576-K1579 WeakPolarHBondContact OD1-CD 3.41Å; D1576-K1579 IonicContact OD1-NZ 2.78Å; D1576-K1579 PolarHBondContact OD1-NZ 3.03Å; D1577-K1579 VanDerWaalsContact C-N 3.29Å; D1577-K1579 PolarHBondContact O-N 2.83Å; K1579-L1583 WeakPolarHBondContact O-CB 3.34Å; K1579-L1583 PolarHBondContact O-N 3.15Å |
| 1580 | A | 67.9 | Low | 68.2 | Low | 34 Ų | 34 | 46 Ų | 46 | 28% | 0.281 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.2 | -50.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1295 D1576 D1577 I1578 Y1582 L1583 L1584 | L1295-A1580 HydrophobicContact CD2-CB 3.86Å; L1295-A1580 WeakPolarHBondContact CD2-O 3.22Å; D1576-A1580 PolarHBondContact O-N 2.9Å; D1577-A1580 WeakPolarHBondContact O-CA 3.25Å; D1577-A1580 WeakPolarHBondContact O-CB 3.36Å; D1577-A1580 PolarHBondContact O-N 3.05Å; I1578-A1580 VanDerWaalsContact C-N 3.29Å; I1578-A1580 PolarHBondContact O-N 3.45Å; A1580-Y1582 VanDerWaalsContact C-N 3.35Å; A1580-Y1582 PolarHBondContact O-N 3.31Å; A1580-L1583 PolarHBondContact O-N 2.8Å; A1580-L1584 PolarHBondContact O-N 2.84Å |
| 1581 | D | 69.4 | Low | 69.7 | Low | 22 Ų | 22 | 41.5 Ų | 41.5 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | 178.5 | -80.7 | -32.1 | 0 | 0 | 0 | 112.4 | D1577 I1578 L1584 S1585 Y1656 A1763 | D1577-D1581 PolarHBondContact O-N 2.98Å; I1578-D1581 PolarHBondContact O-N 3.35Å; D1581-L1584 PolarHBondContact O-N 2.98Å; D1581-S1585 PolarHBondContact O-N 3.46Å; D1581-Y1656 PolarHBondContact O-OH 2.95Å; D1581-A1763 HydrophobicContact CB-CB 4.38Å |
| 1582 | Y | 72.3 | Confident | 71.6 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 171.6 | 174.4 | -105.2 | 0 | 0 | 0 | 111.9 | I1578 A1580 L1584 S1585 L1586 T1709 F1710 F1713 F1760 | I1578-Y1582 WeakPolarHBondContact O-CB 3.36Å; I1578-Y1582 PolarHBondContact O-N 3.16Å; A1580-Y1582 VanDerWaalsContact C-N 3.35Å; A1580-Y1582 PolarHBondContact O-N 3.31Å; Y1582-L1584 VanDerWaalsContact C-N 3.32Å; Y1582-L1584 PolarHBondContact O-N 2.81Å; Y1582-S1585 WeakPolarHBondContact O-CB 3.25Å; Y1582-S1585 PolarHBondContact O-N 3.04Å; Y1582-S1585 VanDerWaalsContact O-N 3.17Å; Y1582-S1585 PolarHBondContact O-OG 3.23Å; Y1582-L1586 PolarHBondContact O-N 3.38Å; Y1582-T1709 PolarHBondContact OH-O 2.92Å; Y1582-F1710 PolarHBondContact OH-N 3.46Å; Y1582-F1713 HydrophobicContact CD1-CD2 4.36Å; Y1582-F1713 HydrophobicContact CD1-CE2 4.33Å; Y1582-F1713 AromaticContact CD2-CD2 3.81Å; Y1582-F1713 HydrophobicContact CD2-CD2 3.81Å; Y1582-F1713 HydrophobicContact CD2-CE2 4.38Å; Y1582-F1713 HydrophobicContact CE1-CD2 4.36Å; Y1582-F1713 HydrophobicContact CE2-CB 3.84Å; Y1582-F1713 AromaticContact CE2-CD2 3.81Å; Y1582-F1713 HydrophobicContact CE2-CD2 3.81Å; Y1582-F1713 HydrophobicContact CE2-CG 4.04Å; Y1582-F1713 HydrophobicContact CG-CD2 4.1Å; Y1582-F1713 HydrophobicContact CG-CE2 4.22Å; Y1582-F1760 HydrophobicContact CD2-CD2 4.04Å; Y1582-F1760 HydrophobicContact CD2-CE2 4.4Å |
| 1583 | L | 75.1 | Confident | 73.2 | Confident | 56 Ų | 56 | 32 Ų | 32 | 29% | 0.293 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 176.5 | -167.9 | 91.5 | 0 | 0 | 0 | 111.5 | F1294 L1295 K1579 A1580 L1586 F1587 | F1294-L1583 HydrophobicContact CD1-CD2 3.78Å; F1294-L1583 HydrophobicContact CE1-CD2 3.77Å; L1295-L1583 HydrophobicContact CD2-CB 4.21Å; L1295-L1583 HydrophobicContact CD2-CD2 3.74Å; L1295-L1583 HydrophobicContact CG-CD2 4.21Å; K1579-L1583 WeakPolarHBondContact O-CB 3.34Å; K1579-L1583 PolarHBondContact O-N 3.15Å; A1580-L1583 PolarHBondContact O-N 2.8Å; L1583-L1586 PolarHBondContact O-N 3.13Å; L1583-F1587 HydrophobicContact CD2-CD2 4.39Å; L1583-F1587 HydrophobicContact CD2-CE2 3.74Å; L1583-F1587 HydrophobicContact CG-CD2 4.19Å; L1583-F1587 HydrophobicContact CG-CE2 3.88Å; L1583-F1587 VanDerWaalsContact O-CD2 3.28Å; L1583-F1587 WeakPolarHBondContact O-CD2 3.4Å; L1583-F1587 PolarHBondContact O-N 2.91Å |
| 1584 | L | 78.9 | Confident | 74.6 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 170.6 | -176.5 | 51.5 | 0 | 0 | 0 | 111.5 | I1292 L1295 A1580 D1581 Y1582 L1586 F1587 L1588 N1653 Y1656 | I1292-L1584 HydrophobicContact CG1-CD1 4.09Å; L1295-L1584 HydrophobicContact CD1-CB 3.58Å; L1295-L1584 HydrophobicContact CD1-CD1 3.84Å; L1295-L1584 HydrophobicContact CD1-CD2 4.49Å; L1295-L1584 HydrophobicContact CD1-CG 4.15Å; A1580-L1584 PolarHBondContact O-N 2.84Å; D1581-L1584 PolarHBondContact O-N 2.98Å; Y1582-L1584 VanDerWaalsContact C-N 3.32Å; Y1582-L1584 PolarHBondContact O-N 2.81Å; L1584-L1586 PolarHBondContact O-N 3.02Å; L1584-F1587 PolarHBondContact O-N 2.82Å; L1584-L1588 VanDerWaalsContact O-CB 3.32Å; L1584-L1588 WeakPolarHBondContact O-CB 3.38Å; L1584-L1588 PolarHBondContact O-N 3Å; L1584-N1653 VanDerWaalsContact CD2-ND2 3.27Å; L1584-N1653 WeakPolarHBondContact CD2-ND2 3.37Å; L1584-Y1656 HydrophobicContact CD2-CD2 4.48Å; L1584-Y1656 HydrophobicContact CD2-CE2 4Å; L1584-Y1656 HydrophobicContact CG-CE2 4.36Å |
| 1585 | S | 78.2 | Confident | 76.1 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.5 | -37.9 | 175.7 | 86.3 | 0 | 0 | 0 | 0 | 111.6 | D1581 Y1582 L1588 I1589 | D1581-S1585 PolarHBondContact O-N 3.46Å; Y1582-S1585 WeakPolarHBondContact O-CB 3.25Å; Y1582-S1585 PolarHBondContact O-N 3.04Å; Y1582-S1585 VanDerWaalsContact O-N 3.17Å; Y1582-S1585 PolarHBondContact O-OG 3.23Å; S1585-L1588 PolarHBondContact O-N 2.95Å; S1585-I1589 WeakPolarHBondContact O-CD1 3.19Å; S1585-I1589 WeakPolarHBondContact O-CG1 3.35Å; S1585-I1589 PolarHBondContact O-N 2.74Å |
| 1586 | L | 81.6 | Confident | 77.5 | Confident | 30 Ų | 30 | 26.9 Ų | 26.9 | 16% | 0.157 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 177.3 | -179 | 148.1 | 0 | 0 | 0 | 111.7 | Y1582 L1583 L1584 L1588 I1589 L1590 | Y1582-L1586 PolarHBondContact O-N 3.38Å; L1583-L1586 PolarHBondContact O-N 3.13Å; L1584-L1586 PolarHBondContact O-N 3.02Å; L1586-L1588 VanDerWaalsContact C-N 3.29Å; L1586-L1588 PolarHBondContact O-N 2.82Å; L1586-I1589 PolarHBondContact O-N 2.87Å; L1586-L1590 HydrophobicContact CD2-CD1 3.68Å; L1586-L1590 HydrophobicContact CD2-CG 4.42Å; L1586-L1590 WeakPolarHBondContact O-CB 3.31Å; L1586-L1590 VanDerWaalsContact O-CG 3.24Å; L1586-L1590 WeakPolarHBondContact O-CG 3.38Å; L1586-L1590 PolarHBondContact O-N 2.93Å |
| 1587 | F | 82.5 | Confident | 78.8 | Confident | 39 Ų | 39 | 22.8 Ų | 22.8 | 17% | 0.171 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.4 | -37.5 | 174.1 | -78.9 | -62.5 | 0 | 0 | 0 | 112.5 | L1287 G1291 F1294 L1583 L1584 L1590 A1591 | L1287-F1587 HydrophobicContact CD2-CD1 4.15Å; L1287-F1587 WeakPolarHBondContact CD2-O 3.46Å; G1291-F1587 VanDerWaalsContact CA-CD2 3.47Å; F1294-F1587 HydrophobicContact CD1-CE2 4.23Å; F1294-F1587 HydrophobicContact CD1-CZ 4.44Å; L1583-F1587 HydrophobicContact CD2-CD2 4.39Å; L1583-F1587 HydrophobicContact CD2-CE2 3.74Å; L1583-F1587 HydrophobicContact CG-CD2 4.19Å; L1583-F1587 HydrophobicContact CG-CE2 3.88Å; L1583-F1587 VanDerWaalsContact O-CD2 3.28Å; L1583-F1587 WeakPolarHBondContact O-CD2 3.4Å; L1583-F1587 PolarHBondContact O-N 2.91Å; L1584-F1587 PolarHBondContact O-N 2.82Å; F1587-L1590 PolarHBondContact O-N 3.39Å; F1587-A1591 WeakPolarHBondContact O-CB 3.42Å; F1587-A1591 PolarHBondContact O-N 2.94Å |
| 1588 | L | 85.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.6 | -47.6 | 179.2 | -171 | 165.7 | 0 | 0 | 0 | 111.7 | L1288 L1584 S1585 L1586 L1590 A1591 L1592 I1648 F1665 F1759 | L1288-L1588 HydrophobicContact CD1-CG 4.31Å; L1584-L1588 VanDerWaalsContact O-CB 3.32Å; L1584-L1588 WeakPolarHBondContact O-CB 3.38Å; L1584-L1588 PolarHBondContact O-N 3Å; S1585-L1588 PolarHBondContact O-N 2.95Å; L1586-L1588 VanDerWaalsContact C-N 3.29Å; L1586-L1588 PolarHBondContact O-N 2.82Å; L1588-L1590 VanDerWaalsContact C-N 3.29Å; L1588-L1590 PolarHBondContact O-N 3.22Å; L1588-A1591 PolarHBondContact O-N 3.11Å; L1588-L1592 HydrophobicContact CD2-CD1 3.53Å; L1588-L1592 HydrophobicContact CD2-CG 4.06Å; L1588-L1592 WeakPolarHBondContact O-CG 3.4Å; L1588-L1592 PolarHBondContact O-N 3.42Å; L1588-I1648 HydrophobicContact CD1-CD1 3.36Å; L1588-I1648 HydrophobicContact CG-CD1 4.28Å; L1588-F1665 HydrophobicContact CD1-CE2 4.19Å; L1588-F1665 HydrophobicContact CD1-CZ 3.92Å; L1588-F1759 HydrophobicContact CD2-CD2 4.32Å; L1588-F1759 HydrophobicContact CD2-CE2 3.43Å; L1588-F1759 VanDerWaalsContact CD2-CE2 3.43Å; L1588-F1759 HydrophobicContact CD2-CZ 3.63Å |
| 1589 | I | 85.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 175.6 | -61.3 | 160.1 | 0 | 0 | 0 | 110.1 | S1585 L1586 L1592 S1593 S1705 T1709 L1755 F1759 | S1585-I1589 WeakPolarHBondContact O-CD1 3.19Å; S1585-I1589 WeakPolarHBondContact O-CG1 3.35Å; S1585-I1589 PolarHBondContact O-N 2.74Å; L1586-I1589 PolarHBondContact O-N 2.87Å; I1589-L1592 PolarHBondContact O-N 3.19Å; I1589-S1593 VanDerWaalsContact O-CB 3.3Å; I1589-S1593 WeakPolarHBondContact O-CB 3.45Å; I1589-S1593 PolarHBondContact O-N 3.46Å; I1589-S1705 WeakPolarHBondContact CG2-OG 3.44Å; I1589-T1709 HydrophobicContact CD1-CG2 3.38Å; I1589-L1755 HydrophobicContact CG1-CD2 4.02Å; I1589-L1755 HydrophobicContact CG1-CG 4.37Å; I1589-L1755 HydrophobicContact CG2-CD2 4.21Å; I1589-F1759 HydrophobicContact CD1-CD2 3.91Å; I1589-F1759 HydrophobicContact CD1-CE2 4.37Å; I1589-F1759 HydrophobicContact CG1-CD2 3.68Å; I1589-F1759 HydrophobicContact CG1-CE2 3.66Å |
| 1590 | L | 82.4 | Confident | 82.3 | Confident | 22 Ų | 22 | 13.7 Ų | 13.7 | 12% | 0.115 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.9 | -49.9 | 173.2 | -76.4 | 177.3 | 0 | 0 | 0 | 111.7 | L1287 L1586 F1587 L1588 L1592 S1593 F1594 L1702 V1706 | L1287-L1590 HydrophobicContact CD2-CB 4.12Å; L1586-L1590 HydrophobicContact CD2-CD1 3.68Å; L1586-L1590 HydrophobicContact CD2-CG 4.42Å; L1586-L1590 WeakPolarHBondContact O-CB 3.31Å; L1586-L1590 VanDerWaalsContact O-CG 3.24Å; L1586-L1590 WeakPolarHBondContact O-CG 3.38Å; L1586-L1590 PolarHBondContact O-N 2.93Å; F1587-L1590 PolarHBondContact O-N 3.39Å; L1588-L1590 VanDerWaalsContact C-N 3.29Å; L1588-L1590 PolarHBondContact O-N 3.22Å; L1590-L1592 PolarHBondContact O-N 2.87Å; L1590-S1593 WeakPolarHBondContact O-CB 3.24Å; L1590-S1593 PolarHBondContact O-N 2.84Å; L1590-S1593 VanDerWaalsContact O-N 3.12Å; L1590-S1593 PolarHBondContact O-OG 3.22Å; L1590-F1594 WeakPolarHBondContact O-CD2 3.33Å; L1590-L1702 HydrophobicContact CD2-CB 4.39Å; L1590-L1702 HydrophobicContact CD2-CD1 4.46Å; L1590-L1702 HydrophobicContact CD2-CG 3.76Å; L1590-V1706 HydrophobicContact CD2-CG2 4.07Å |
| 1591 | A | 85.2 | Confident | 83 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.8 | -47.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1284 L1287 L1288 F1587 L1588 S1593 F1594 | P1284-A1591 HydrophobicContact CB-CB 4.16Å; L1287-A1591 HydrophobicContact CD2-CB 4.17Å; L1288-A1591 HydrophobicContact CB-CB 4.44Å; F1587-A1591 WeakPolarHBondContact O-CB 3.42Å; F1587-A1591 PolarHBondContact O-N 2.94Å; L1588-A1591 PolarHBondContact O-N 3.11Å; A1591-S1593 PolarHBondContact O-N 3.05Å; A1591-F1594 PolarHBondContact O-N 3.47Å |
| 1592 | L | 87.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.8 | -21.2 | 177.2 | -66.8 | -177.8 | 0 | 0 | 0 | 113.6 | L1588 I1589 L1590 I1595 P1596 I1669 Y1672 L1755 | L1588-L1592 HydrophobicContact CD2-CD1 3.53Å; L1588-L1592 HydrophobicContact CD2-CG 4.06Å; L1588-L1592 WeakPolarHBondContact O-CG 3.4Å; L1588-L1592 PolarHBondContact O-N 3.42Å; I1589-L1592 PolarHBondContact O-N 3.19Å; L1590-L1592 PolarHBondContact O-N 2.87Å; L1592-I1595 HydrophobicContact CD2-CD1 4.18Å; L1592-P1596 WeakPolarHBondContact O-CD 3.47Å; L1592-I1669 HydrophobicContact CD1-CG1 4.05Å; L1592-I1669 HydrophobicContact CD1-CG2 4Å; L1592-I1669 HydrophobicContact CD2-CG2 4.37Å; L1592-Y1672 HydrophobicContact CB-CE1 4.13Å; L1592-L1755 HydrophobicContact CD1-CD2 4.34Å |
| 1593 | S | 85.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -74.3 | -26.7 | -179.4 | 80.8 | 0 | 0 | 0 | 0 | 114 | I1589 L1590 A1591 N1701 | I1589-S1593 VanDerWaalsContact O-CB 3.3Å; I1589-S1593 WeakPolarHBondContact O-CB 3.45Å; I1589-S1593 PolarHBondContact O-N 3.46Å; L1590-S1593 WeakPolarHBondContact O-CB 3.24Å; L1590-S1593 PolarHBondContact O-N 2.84Å; L1590-S1593 VanDerWaalsContact O-N 3.12Å; L1590-S1593 PolarHBondContact O-OG 3.22Å; A1591-S1593 PolarHBondContact O-N 3.05Å; S1593-N1701 PolarHBondContact O-ND2 3.14Å; S1593-N1701 VanDerWaalsContact O-ND2 3.12Å |
| 1594 | F | 83.9 | Confident | 85.2 | Confident | 29 Ų | 29 | 8.6 Ų | 8.6 | 13% | 0.127 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -76.7 | -35.3 | 179.9 | -77.4 | -76.9 | 0 | 0 | 0 | 113.1 | F1283 L1287 L1590 A1591 A1597 S1598 C1698 L1702 | F1283-F1594 HydrophobicContact CD1-CD2 4.38Å; F1283-F1594 HydrophobicContact CD1-CG 4.25Å; F1283-F1594 AromaticContact CE1-CD1 3.99Å; F1283-F1594 HydrophobicContact CE1-CD1 3.99Å; F1283-F1594 AromaticContact CE1-CD2 3.84Å; F1283-F1594 HydrophobicContact CE1-CD2 3.84Å; F1283-F1594 AromaticContact CE1-CE1 3.98Å; F1283-F1594 HydrophobicContact CE1-CE1 3.98Å; F1283-F1594 AromaticContact CE1-CE2 3.84Å; F1283-F1594 HydrophobicContact CE1-CE2 3.84Å; F1283-F1594 AromaticContact CE1-CG 3.93Å; F1283-F1594 HydrophobicContact CE1-CG 3.93Å; F1283-F1594 AromaticContact CE1-CZ 3.91Å; F1283-F1594 HydrophobicContact CE1-CZ 3.91Å; F1283-F1594 HydrophobicContact CZ-CZ 4.47Å; L1287-F1594 HydrophobicContact CD1-CD2 4.33Å; L1287-F1594 HydrophobicContact CD1-CE2 3.83Å; L1590-F1594 WeakPolarHBondContact O-CD2 3.33Å; A1591-F1594 PolarHBondContact O-N 3.47Å; F1594-A1597 WeakPolarHBondContact O-CB 3.44Å; F1594-A1597 PolarHBondContact O-N 3.29Å; F1594-S1598 PolarHBondContact O-N 3.44Å; F1594-C1698 HydrophobicContact CD1-CB 4.12Å; F1594-C1698 HydrophobicContact CE1-CB 4.01Å; F1594-L1702 HydrophobicContact CZ-CD1 4.2Å |
| 1595 | I | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.6 | -55 | -174.7 | -58.9 | 156 | 0 | 0 | 0 | 110.6 | P1284 L1592 A1597 S1598 F1599 Y1637 S1640 | P1284-I1595 HydrophobicContact CB-CD1 4.14Å; P1284-I1595 HydrophobicContact CB-CG1 4.19Å; P1284-I1595 HydrophobicContact CG-CD1 4.04Å; P1284-I1595 HydrophobicContact CG-CG1 3.56Å; L1592-I1595 HydrophobicContact CD2-CD1 4.18Å; I1595-A1597 VanDerWaalsContact C-N 3.26Å; I1595-A1597 PolarHBondContact O-N 2.91Å; I1595-S1598 WeakPolarHBondContact O-CB 3.41Å; I1595-S1598 PolarHBondContact O-N 3.43Å; I1595-S1598 PolarHBondContact O-OG 3.43Å; I1595-F1599 HydrophobicContact CG2-CE2 4.42Å; I1595-F1599 HydrophobicContact CG2-CZ 3.92Å; I1595-Y1637 HydrophobicContact CB-CD2 4.22Å; I1595-Y1637 HydrophobicContact CG2-CD2 3.77Å; I1595-S1640 WeakPolarHBondContact CD1-OG 3.45Å; I1595-S1640 VanDerWaalsContact CG2-OG 3.29Å; I1595-S1640 WeakPolarHBondContact CG2-OG 3.43Å |
| 1596 | P | 88.6 | Confident | 86 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.6 | -30 | 179.7 | -23.3 | 37.6 | 0 | 0 | 0 | 113.2 | L1592 S1598 F1599 Y1637 M1676 I1680 | L1592-P1596 WeakPolarHBondContact O-CD 3.47Å; P1596-S1598 PolarHBondContact O-N 2.89Å; P1596-F1599 HydrophobicContact CB-CD2 4.49Å; P1596-F1599 PolarHBondContact O-N 2.92Å; P1596-F1599 VanDerWaalsContact O-N 3.15Å; P1596-Y1637 HydrophobicContact CG-CD2 4.06Å; P1596-Y1637 HydrophobicContact CG-CE2 4.06Å; P1596-M1676 HydrophobicContact CB-CB 3.95Å; P1596-M1676 HydrophobicContact CG-CB 3.91Å; P1596-I1680 HydrophobicContact CB-CD1 3.34Å; P1596-I1680 WeakPolarHBondContact O-CD1 3.45Å |
| 1597 | A | 85.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.7 | -27.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1594 I1595 F1599 I1600 F1694 M1697 C1698 | F1594-A1597 WeakPolarHBondContact O-CB 3.44Å; F1594-A1597 PolarHBondContact O-N 3.29Å; I1595-A1597 VanDerWaalsContact C-N 3.26Å; I1595-A1597 PolarHBondContact O-N 2.91Å; A1597-F1599 VanDerWaalsContact C-N 3.31Å; A1597-F1599 PolarHBondContact O-N 3.15Å; A1597-I1600 WeakPolarHBondContact O-CG2 3.39Å; A1597-F1694 WeakPolarHBondContact O-CD2 3.5Å; A1597-M1697 HydrophobicContact CB-CB 4.22Å; A1597-C1698 VanDerWaalsContact CB-SG 3.57Å |
| 1598 | S | 86 | Confident | 86.2 | Confident | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.021 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 173.7 | 73.1 | 0 | 0 | 0 | 0 | 113 | E1280 F1594 I1595 P1596 I1600 S1601 | E1280-S1598 WeakPolarHBondContact CG-OG 3.41Å; F1594-S1598 PolarHBondContact O-N 3.44Å; I1595-S1598 WeakPolarHBondContact O-CB 3.41Å; I1595-S1598 PolarHBondContact O-N 3.43Å; I1595-S1598 PolarHBondContact O-OG 3.43Å; P1596-S1598 PolarHBondContact O-N 2.89Å; S1598-I1600 VanDerWaalsContact C-N 3.26Å; S1598-I1600 PolarHBondContact O-N 2.94Å; S1598-S1601 VanDerWaalsContact O-CB 3.3Å; S1598-S1601 WeakPolarHBondContact O-CB 3.47Å; S1598-S1601 PolarHBondContact O-N 3.5Å; S1598-S1601 VanDerWaalsContact O-N 3.15Å; S1598-S1601 PolarHBondContact O-OG 2.77Å |
| 1599 | F | 89.6 | Confident | 85.9 | Confident | 7 Ų | 7 | 16 Ų | 16 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -18.1 | -169.8 | -53.8 | -33.9 | 0 | 0 | 0 | 113.9 | E1280 I1595 P1596 A1597 S1601 P1603 D1633 T1636 I1677 | E1280-F1599 HydrophobicContact CG-CE1 4.43Å; I1595-F1599 HydrophobicContact CG2-CE2 4.42Å; I1595-F1599 HydrophobicContact CG2-CZ 3.92Å; P1596-F1599 HydrophobicContact CB-CD2 4.49Å; P1596-F1599 PolarHBondContact O-N 2.92Å; P1596-F1599 VanDerWaalsContact O-N 3.15Å; A1597-F1599 VanDerWaalsContact C-N 3.31Å; A1597-F1599 PolarHBondContact O-N 3.15Å; F1599-S1601 PolarHBondContact O-N 3.26Å; F1599-P1603 WeakPolarHBondContact O-CD 3.42Å; F1599-D1633 HydrophobicContact CB-CB 4.42Å; F1599-D1633 HydrophobicContact CD1-CB 4.25Å; F1599-D1633 HydrophobicContact CD2-CB 3.75Å; F1599-D1633 HydrophobicContact CE1-CB 4.48Å; F1599-D1633 HydrophobicContact CE2-CB 3.99Å; F1599-D1633 WeakPolarHBondContact CE2-O 3.17Å; F1599-D1633 HydrophobicContact CG-CB 3.9Å; F1599-D1633 HydrophobicContact CZ-CB 4.35Å; F1599-D1633 VanDerWaalsContact CZ-O 3.28Å; F1599-D1633 WeakPolarHBondContact CZ-O 3.19Å; F1599-T1636 WeakPolarHBondContact CE1-OG1 3.49Å; F1599-T1636 VanDerWaalsContact CZ-OG1 3.28Å; F1599-T1636 WeakPolarHBondContact CZ-OG1 3.39Å; F1599-I1677 HydrophobicContact CD2-CG1 4.03Å; F1599-I1677 HydrophobicContact CE2-CD1 4.35Å; F1599-I1677 HydrophobicContact CE2-CG1 4.07Å |
| 1600 | I | 89.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.7 | 174.5 | -155.6 | 167.5 | 0 | 0 | 0 | 112.7 | A1597 S1598 L1602 V1604 I1680 A1683 F1687 A1693 F1694 M1697 | A1597-I1600 WeakPolarHBondContact O-CG2 3.39Å; S1598-I1600 VanDerWaalsContact C-N 3.26Å; S1598-I1600 PolarHBondContact O-N 2.94Å; I1600-L1602 PolarHBondContact O-N 3.38Å; I1600-V1604 HydrophobicContact CG1-CG2 3.99Å; I1600-V1604 WeakPolarHBondContact O-CG2 3.33Å; I1600-V1604 PolarHBondContact O-N 3.01Å; I1600-I1680 HydrophobicContact CB-CG2 3.7Å; I1600-I1680 HydrophobicContact CD1-CG2 4.28Å; I1600-I1680 HydrophobicContact CG1-CG2 4.15Å; I1600-A1683 HydrophobicContact CD1-CB 4.26Å; I1600-F1687 HydrophobicContact CD1-CD2 3.7Å; I1600-F1687 HydrophobicContact CD1-CE2 3.74Å; I1600-A1693 HydrophobicContact CD1-CB 4.1Å; I1600-A1693 HydrophobicContact CG1-CB 4.2Å; I1600-A1693 HydrophobicContact CG2-CB 3.93Å; I1600-F1694 HydrophobicContact CG2-CB 4.36Å; I1600-M1697 HydrophobicContact CD1-CG 3.46Å; I1600-M1697 VanDerWaalsContact CD1-CG 3.46Å; I1600-M1697 HydrophobicContact CD1-SD 4.31Å; I1600-M1697 HydrophobicContact CG2-CG 4.38Å |
| 1601 | S | 83.1 | Confident | 85.9 | Confident | 25 Ų | 25 | 17.7 Ų | 17.7 | 18% | 0.175 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | -172.5 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | S1598 F1599 Y1605 S1690 | S1598-S1601 VanDerWaalsContact O-CB 3.3Å; S1598-S1601 WeakPolarHBondContact O-CB 3.47Å; S1598-S1601 PolarHBondContact O-N 3.5Å; S1598-S1601 VanDerWaalsContact O-N 3.15Å; S1598-S1601 PolarHBondContact O-OG 2.77Å; F1599-S1601 PolarHBondContact O-N 3.26Å; S1601-Y1605 VanDerWaalsContact O-CB 3.28Å; S1601-Y1605 WeakPolarHBondContact O-CB 3.45Å; S1601-Y1605 PolarHBondContact O-N 3.46Å; S1601-S1690 WeakPolarHBondContact CA-OG 3.21Å; S1601-S1690 WeakPolarHBondContact O-CB 3.39Å; S1601-S1690 PolarHBondContact O-OG 3.35Å |
| 1602 | L | 86.5 | Confident | 86 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.037 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -76.5 | -48.7 | -176 | -175.3 | 63.9 | 0 | 0 | 0 | 113.5 | I1600 V1604 Y1605 E1606 | I1600-L1602 PolarHBondContact O-N 3.38Å; L1602-V1604 PolarHBondContact O-N 3.01Å; L1602-Y1605 HydrophobicContact CD1-CD1 4.25Å; L1602-Y1605 PolarHBondContact O-N 2.82Å; L1602-Y1605 VanDerWaalsContact O-N 3.11Å; L1602-E1606 HydrophobicContact CD1-CG 3.79Å; L1602-E1606 HydrophobicContact CG-CG 4.16Å; L1602-E1606 PolarHBondContact O-N 2.87Å |
| 1603 | P | 88.5 | Confident | 85.8 | Confident | 6 Ų | 6 | 19.8 Ų | 19.8 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.2 | -36.4 | 176.4 | -26.2 | 35.9 | 0 | 0 | 0 | 113.2 | F1599 R1607 W1626 | F1599-P1603 WeakPolarHBondContact O-CD 3.42Å; P1603-R1607 VanDerWaalsContact O-CB 3.3Å; P1603-R1607 WeakPolarHBondContact O-CB 3.44Å; P1603-R1607 PolarHBondContact O-N 2.89Å; P1603-R1607 VanDerWaalsContact O-N 3.12Å; P1603-W1626 HydrophobicContact CB-CH2 4.46Å |
| 1604 | V | 87.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.3 | -39.4 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | I1600 L1602 R1607 N1608 F1687 S1689 A1693 | I1600-V1604 HydrophobicContact CG1-CG2 3.99Å; I1600-V1604 WeakPolarHBondContact O-CG2 3.33Å; I1600-V1604 PolarHBondContact O-N 3.01Å; L1602-V1604 PolarHBondContact O-N 3.01Å; V1604-R1607 PolarHBondContact O-N 3.47Å; V1604-N1608 WeakPolarHBondContact O-CB 3.38Å; V1604-N1608 PolarHBondContact O-N 3.28Å; V1604-F1687 HydrophobicContact CG1-CB 4.26Å; V1604-F1687 WeakPolarHBondContact CG1-O 3.21Å; V1604-F1687 HydrophobicContact CG2-CB 4.2Å; V1604-S1689 VanDerWaalsContact CG1-C 3.5Å; V1604-A1693 HydrophobicContact CG1-CB 4.44Å; V1604-A1693 HydrophobicContact CG2-CB 4.09Å |
| 1605 | Y | 86.5 | Confident | 86 | Confident | 31 Ų | 31 | 18.9 Ų | 18.9 | 12% | 0.122 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 174.6 | 175.7 | -92.1 | 0 | 0 | 0 | 111.8 | S1601 L1602 R1607 N1608 N1609 E1946 | S1601-Y1605 VanDerWaalsContact O-CB 3.28Å; S1601-Y1605 WeakPolarHBondContact O-CB 3.45Å; S1601-Y1605 PolarHBondContact O-N 3.46Å; L1602-Y1605 HydrophobicContact CD1-CD1 4.25Å; L1602-Y1605 PolarHBondContact O-N 2.82Å; L1602-Y1605 VanDerWaalsContact O-N 3.11Å; Y1605-R1607 VanDerWaalsContact C-N 3.27Å; Y1605-R1607 PolarHBondContact O-N 3.46Å; Y1605-N1608 PolarHBondContact O-N 3.35Å; Y1605-N1609 WeakPolarHBondContact CE2-ND2 3.46Å; Y1605-N1609 VanDerWaalsContact CZ-ND2 3.27Å; Y1605-N1609 WeakPolarHBondContact O-CB 3.38Å; Y1605-N1609 PolarHBondContact O-N 2.91Å; Y1605-N1609 PolarHBondContact OH-ND2 3.46Å; Y1605-E1946 WeakPolarHBondContact OH-CG 3.42Å; Y1605-E1946 PolarHBondContact OH-OE2 3.22Å |
| 1606 | E | 87.3 | Confident | 85.6 | Confident | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.023 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66 | -28.6 | 179.2 | -68.7 | -163.1 | -158.1 | 0 | 0 | 113.2 | K1265 L1602 N1610 S1611 K1612 Q1615 | K1265-E1606 VanDerWaalsContact CE-OE1 3.3Å; K1265-E1606 WeakPolarHBondContact CE-OE1 3.19Å; K1265-E1606 IonicContact NZ-OE1 3.15Å; K1265-E1606 PolarHBondContact NZ-OE1 3.32Å; K1265-E1606 IonicContact NZ-OE2 3.37Å; K1265-E1606 PolarHBondContact NZ-OE2 3.5Å; L1602-E1606 HydrophobicContact CD1-CG 3.79Å; L1602-E1606 HydrophobicContact CG-CG 4.16Å; L1602-E1606 PolarHBondContact O-N 2.87Å; E1606-N1610 CarbonylContact O-C 3.56Å; E1606-S1611 VanDerWaalsContact CA-OG 3.29Å; E1606-S1611 WeakPolarHBondContact CA-OG 3.32Å; E1606-S1611 WeakPolarHBondContact CB-OG 3.41Å; E1606-S1611 PolarHBondContact O-N 2.88Å; E1606-S1611 PolarHBondContact O-OG 3.25Å; E1606-K1612 HydrophobicContact CB-CB 4.32Å; E1606-K1612 PolarHBondContact O-N 2.91Å; E1606-Q1615 PolarHBondContact OE2-NE2 3.35Å |
| 1607 | R | 84.7 | Confident | 85.2 | Confident | 86 Ų | 86 | 21.3 Ų | 21.3 | 33% | 0.325 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -73.5 | -46.8 | 171.4 | -173.3 | 168.9 | 72 | 153.2 | 1.6 | 111.8 | P1603 V1604 Y1605 N1609 N1610 S1684 F1685 F1687 | P1603-R1607 VanDerWaalsContact O-CB 3.3Å; P1603-R1607 WeakPolarHBondContact O-CB 3.44Å; P1603-R1607 PolarHBondContact O-N 2.89Å; P1603-R1607 VanDerWaalsContact O-N 3.12Å; V1604-R1607 PolarHBondContact O-N 3.47Å; Y1605-R1607 VanDerWaalsContact C-N 3.27Å; Y1605-R1607 PolarHBondContact O-N 3.46Å; R1607-N1609 PolarHBondContact O-N 3.02Å; R1607-N1610 PolarHBondContact O-N 3.25Å; R1607-S1684 PolarHBondContact NH2-O 2.72Å; R1607-S1684 VanDerWaalsContact NH2-O 3.1Å; R1607-F1685 VanDerWaalsContact CZ-O 3.32Å; R1607-F1685 PolarHBondContact NH1-O 2.79Å; R1607-F1685 VanDerWaalsContact NH2-C 3.29Å; R1607-F1685 PolarHBondContact NH2-O 3.25Å; R1607-F1687 PolarHBondContact NH2-O 2.99Å |
| 1608 | N | 82 | Confident | 84.9 | Confident | 75 Ų | 75 | 21.8 Ų | 21.8 | 40% | 0.401 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -66.4 | -37.1 | -178.5 | -178.6 | 81.4 | 0 | 0 | 0 | 112.9 | V1604 Y1605 N1610 K1688 | V1604-N1608 WeakPolarHBondContact O-CB 3.38Å; V1604-N1608 PolarHBondContact O-N 3.28Å; Y1605-N1608 PolarHBondContact O-N 3.35Å; N1608-N1610 PolarHBondContact O-N 3.31Å; N1608-K1688 WeakPolarHBondContact CB-O 3.35Å; N1608-K1688 PolarHBondContact OD1-O 2.9Å |
| 1609 | N | 80.1 | Confident | 84.3 | Confident | 38 Ų | 38 | 22.8 Ų | 22.8 | 20% | 0.203 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 8.7 | 176.8 | -68.5 | 19.9 | 0 | 0 | 0 | 112.8 | Y1605 R1607 S1611 A1943 | Y1605-N1609 WeakPolarHBondContact CE2-ND2 3.46Å; Y1605-N1609 VanDerWaalsContact CZ-ND2 3.27Å; Y1605-N1609 WeakPolarHBondContact O-CB 3.38Å; Y1605-N1609 PolarHBondContact O-N 2.91Å; Y1605-N1609 PolarHBondContact OH-ND2 3.46Å; R1607-N1609 PolarHBondContact O-N 3.02Å; N1609-S1611 PolarHBondContact O-N 3.16Å; N1609-A1943 WeakPolarHBondContact O-CA 3.44Å; N1609-A1943 WeakPolarHBondContact O-CB 3.32Å |
| 1610 | N | 82 | Confident | 84 | Confident | 50 Ų | 50 | 22.6 Ų | 22.6 | 27% | 0.267 | 12% | 0.119 | S | C | . | . | S | Bend | trans | 55.3 | 5 | -174.5 | -61.8 | -47.7 | 0 | 0 | 0 | 116 | E1606 R1607 N1608 K1612 H1613 L1614 | E1606-N1610 CarbonylContact O-C 3.56Å; R1607-N1610 PolarHBondContact O-N 3.25Å; N1608-N1610 PolarHBondContact O-N 3.31Å; N1610-K1612 VanDerWaalsContact C-N 3.27Å; N1610-K1612 PolarHBondContact O-N 2.89Å; N1610-H1613 WeakPolarHBondContact O-CB 3.49Å; N1610-H1613 PolarHBondContact O-N 2.87Å; N1610-L1614 PolarHBondContact O-N 2.7Å |
| 1611 | S | 85.7 | Confident | 83.6 | Confident | 7 Ų | 7 | 25 Ų | 25 | 5% | 0.049 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.1 | -28.8 | -177.2 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | E1606 N1609 L1614 Q1615 A1943 | E1606-S1611 VanDerWaalsContact CA-OG 3.29Å; E1606-S1611 WeakPolarHBondContact CA-OG 3.32Å; E1606-S1611 WeakPolarHBondContact CB-OG 3.41Å; E1606-S1611 PolarHBondContact O-N 2.88Å; E1606-S1611 PolarHBondContact O-OG 3.25Å; N1609-S1611 PolarHBondContact O-N 3.16Å; S1611-L1614 PolarHBondContact O-N 3.06Å; S1611-Q1615 VanDerWaalsContact C-NE2 3.29Å; S1611-Q1615 VanDerWaalsContact O-CG 3.31Å; S1611-Q1615 WeakPolarHBondContact O-CG 3.32Å; S1611-Q1615 PolarHBondContact O-N 2.94Å; S1611-Q1615 PolarHBondContact O-NE2 2.83Å; S1611-A1943 WeakPolarHBondContact CB-O 3.44Å |
| 1612 | K | 86.6 | Confident | 83.5 | Confident | 22 Ų | 22 | 25.9 Ų | 25.9 | 10% | 0.096 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 170.7 | -178.5 | -179.2 | 172.6 | -174.5 | 0 | 111 | E1606 N1610 L1614 Q1615 L1616 Y1625 E1807 | E1606-K1612 HydrophobicContact CB-CB 4.32Å; E1606-K1612 PolarHBondContact O-N 2.91Å; N1610-K1612 VanDerWaalsContact C-N 3.27Å; N1610-K1612 PolarHBondContact O-N 2.89Å; K1612-L1614 PolarHBondContact O-N 2.95Å; K1612-Q1615 WeakPolarHBondContact O-CB 3.42Å; K1612-Q1615 PolarHBondContact O-N 2.96Å; K1612-L1616 WeakPolarHBondContact O-CG 3.26Å; K1612-L1616 PolarHBondContact O-N 3.35Å; K1612-L1616 VanDerWaalsContact O-N 3.08Å; K1612-Y1625 HydrophobicContact CD-CE1 3.87Å; K1612-Y1625 HydrophobicContact CD-CE2 4.3Å; K1612-Y1625 HydrophobicContact CG-CE1 4.43Å; K1612-Y1625 HydrophobicContact CG-CE2 4Å; K1612-E1807 VanDerWaalsContact CE-OE1 3.25Å; K1612-E1807 WeakPolarHBondContact CE-OE1 3.3Å; K1612-E1807 IonicContact NZ-OE1 3.53Å; K1612-E1807 PolarHBondContact NZ-OE1 2.94Å; K1612-E1807 IonicContact NZ-OE2 2.77Å; K1612-E1807 PolarHBondContact NZ-OE2 3Å |
| 1613 | H | 83.2 | Confident | 83.4 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 11% | 0.106 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.9 | 179.4 | 58.8 | 0 | 0 | 0 | 111.5 | N1610 Q1615 L1616 L1617 T1907 Y1909 | N1610-H1613 WeakPolarHBondContact O-CB 3.49Å; N1610-H1613 PolarHBondContact O-N 2.87Å; H1613-Q1615 VanDerWaalsContact C-N 3.32Å; H1613-Q1615 PolarHBondContact O-N 2.8Å; H1613-L1616 PolarHBondContact O-N 3.1Å; H1613-L1617 WeakPolarHBondContact O-CG 3.43Å; H1613-L1617 PolarHBondContact O-N 2.95Å; H1613-T1907 PolarHBondContact CE1-O 2.03Å; H1613-T1907 VanDerWaalsContact CE1-O 3.3Å; H1613-T1907 WeakPolarHBondContact NE2-CB 3.39Å; H1613-T1907 PolarHBondContact NE2-OG1 2.79Å; H1613-Y1909 HydrophobicContact CB-CD2 4.12Å; H1613-Y1909 HydrophobicContact CB-CE2 4.42Å; H1613-Y1909 AromaticContact CG-CD2 3.69Å; H1613-Y1909 AromaticContact ND1-CD2 3.76Å |
| 1614 | L | 86.5 | Confident | 83.4 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -32.3 | 178.7 | -157.7 | 148.9 | 0 | 0 | 0 | 112.9 | N1610 S1611 K1612 S1618 P1939 A1943 Y1957 I2004 | N1610-L1614 PolarHBondContact O-N 2.7Å; S1611-L1614 PolarHBondContact O-N 3.06Å; K1612-L1614 PolarHBondContact O-N 2.95Å; L1614-S1618 WeakPolarHBondContact O-CB 3.47Å; L1614-S1618 PolarHBondContact O-N 3.32Å; L1614-S1618 VanDerWaalsContact O-N 3.11Å; L1614-S1618 PolarHBondContact O-OG 2.89Å; L1614-P1939 HydrophobicContact CD1-CG 3.93Å; L1614-A1943 HydrophobicContact CD1-CB 4.17Å; L1614-Y1957 HydrophobicContact CD2-CD1 4.49Å; L1614-Y1957 HydrophobicContact CD2-CE1 3.62Å; L1614-Y1957 HydrophobicContact CD2-CE2 4.43Å; L1614-Y1957 WeakPolarHBondContact CD2-OH 3.39Å; L1614-I2004 HydrophobicContact CD2-CG2 3.62Å |
| 1615 | Q | 87.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -45.2 | 170.3 | -74.3 | 164.2 | 83.3 | 0 | 0 | 112.4 | E1606 S1611 K1612 H1613 S1618 L1620 F1956 Y1957 | E1606-Q1615 PolarHBondContact OE2-NE2 3.35Å; S1611-Q1615 VanDerWaalsContact C-NE2 3.29Å; S1611-Q1615 VanDerWaalsContact O-CG 3.31Å; S1611-Q1615 WeakPolarHBondContact O-CG 3.32Å; S1611-Q1615 PolarHBondContact O-N 2.94Å; S1611-Q1615 PolarHBondContact O-NE2 2.83Å; K1612-Q1615 WeakPolarHBondContact O-CB 3.42Å; K1612-Q1615 PolarHBondContact O-N 2.96Å; H1613-Q1615 VanDerWaalsContact C-N 3.32Å; H1613-Q1615 PolarHBondContact O-N 2.8Å; Q1615-S1618 WeakPolarHBondContact O-CB 3.5Å; Q1615-S1618 PolarHBondContact O-N 3.2Å; Q1615-S1618 VanDerWaalsContact O-N 3.12Å; Q1615-L1620 HydrophobicContact CB-CD2 4.04Å; Q1615-L1620 VanDerWaalsContact O-CB 3.3Å; Q1615-L1620 WeakPolarHBondContact O-CB 3.39Å; Q1615-L1620 PolarHBondContact O-N 3.47Å; Q1615-F1956 HydrophobicContact CG-CE1 3.94Å; Q1615-F1956 HydrophobicContact CG-CZ 4.04Å; Q1615-Y1957 HydrophobicContact CG-CE1 4.41Å |
| 1616 | L | 81.4 | Confident | 83.7 | Confident | 43 Ų | 43 | 27.5 Ų | 27.5 | 23% | 0.225 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 177.2 | -64.1 | -179.8 | 0 | 0 | 0 | 111.7 | K1612 H1613 S1618 G1619 L1620 P1622 | K1612-L1616 WeakPolarHBondContact O-CG 3.26Å; K1612-L1616 PolarHBondContact O-N 3.35Å; K1612-L1616 VanDerWaalsContact O-N 3.08Å; H1613-L1616 PolarHBondContact O-N 3.1Å; L1616-S1618 PolarHBondContact O-N 2.74Å; L1616-G1619 PolarHBondContact O-N 2.99Å; L1616-G1619 VanDerWaalsContact O-N 3.15Å; L1616-L1620 WeakPolarHBondContact CD2-O 3.47Å; L1616-P1622 HydrophobicContact CD2-CB 4.28Å; L1616-P1622 HydrophobicContact CD2-CG 3.87Å |
| 1617 | L | 79.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -32.6 | 171.4 | -74.8 | 176.5 | 0 | 0 | 0 | 113 | H1613 G1619 T1907 C1932 Y1937 | H1613-L1617 WeakPolarHBondContact O-CG 3.43Å; H1613-L1617 PolarHBondContact O-N 2.95Å; L1617-G1619 PolarHBondContact O-N 3.2Å; L1617-T1907 HydrophobicContact CD1-CG2 3.87Å; L1617-T1907 HydrophobicContact CD2-CG2 4.4Å; L1617-C1932 HydrophobicContact CD2-CB 4.02Å; L1617-Y1937 HydrophobicContact CD1-CD1 3.64Å; L1617-Y1937 HydrophobicContact CD1-CG 4.18Å |
| 1618 | S | 78.8 | Confident | 84.1 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 12 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | L1614 Q1615 L1616 | L1614-S1618 WeakPolarHBondContact O-CB 3.47Å; L1614-S1618 PolarHBondContact O-N 3.32Å; L1614-S1618 VanDerWaalsContact O-N 3.11Å; L1614-S1618 PolarHBondContact O-OG 2.89Å; Q1615-S1618 WeakPolarHBondContact O-CB 3.5Å; Q1615-S1618 PolarHBondContact O-N 3.2Å; Q1615-S1618 VanDerWaalsContact O-N 3.12Å; L1616-S1618 PolarHBondContact O-N 2.74Å |
| 1619 | G | 74.5 | Confident | 84.5 | Confident | 24 Ų | 24 | 24.8 Ų | 24.8 | 25% | 0.247 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 5.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | M1258 L1616 L1617 L1621 | M1258-G1619 WeakPolarHBondContact CE-O 3.39Å; L1616-G1619 PolarHBondContact O-N 2.99Å; L1616-G1619 VanDerWaalsContact O-N 3.15Å; L1617-G1619 PolarHBondContact O-N 3.2Å; G1619-L1621 PolarHBondContact O-N 2.78Å |
| 1620 | L | 81.7 | Confident | 85.1 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | trans | -71.8 | 120.3 | 175.6 | -177.9 | 62.5 | 0 | 0 | 0 | 110.8 | M1258 M1262 Q1615 L1616 I1624 Y1625 L1960 | M1258-L1620 HydrophobicContact CB-CD1 3.99Å; M1262-L1620 HydrophobicContact SD-CD2 4.24Å; Q1615-L1620 HydrophobicContact CB-CD2 4.04Å; Q1615-L1620 VanDerWaalsContact O-CB 3.3Å; Q1615-L1620 WeakPolarHBondContact O-CB 3.39Å; Q1615-L1620 PolarHBondContact O-N 3.47Å; L1616-L1620 WeakPolarHBondContact CD2-O 3.47Å; L1620-I1624 HydrophobicContact CD1-CB 4.2Å; L1620-I1624 HydrophobicContact CD1-CG2 3.96Å; L1620-Y1625 HydrophobicContact CD2-CD2 4.05Å; L1620-L1960 HydrophobicContact CB-CD2 4.24Å; L1620-L1960 HydrophobicContact CD1-CD2 4.16Å | ||
| 1621 | L | 82.2 | Confident | 85.5 | Confident | 51 Ų | 51 | 25.4 Ų | 25.4 | 27% | 0.267 | 14% | 0.141 | S | C | . | . | trans | -65.6 | 133.3 | 174.6 | -67.6 | 172.2 | 0 | 0 | 0 | 111.3 | L1255 G1619 S1623 I1624 Y1625 | L1255-L1621 HydrophobicContact CD2-CD1 3.84Å; G1619-L1621 PolarHBondContact O-N 2.78Å; L1621-S1623 PolarHBondContact O-N 3.26Å; L1621-S1623 VanDerWaalsContact O-N 3.16Å; L1621-I1624 HydrophobicContact CB-CB 4.42Å; L1621-I1624 HydrophobicContact CB-CD1 4.21Å; L1621-I1624 HydrophobicContact CB-CG1 4.14Å; L1621-I1624 HydrophobicContact CD1-CD1 4.04Å; L1621-I1624 PolarHBondContact O-N 3.4Å; L1621-Y1625 PolarHBondContact O-N 2.91Å; L1621-Y1625 VanDerWaalsContact O-N 3.08Å | ||
| 1622 | P | 81.1 | Confident | 85.7 | Confident | 43 Ų | 43 | 28.2 Ų | 28.2 | 28% | 0.279 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.2 | -30.5 | 179.8 | -23.5 | 30.6 | 0 | 0 | 0 | 114.3 | L1616 W1626 E1807 | L1616-P1622 HydrophobicContact CD2-CB 4.28Å; L1616-P1622 HydrophobicContact CD2-CG 3.87Å; P1622-W1626 PolarHBondContact O-N 2.99Å; P1622-W1626 VanDerWaalsContact O-N 3.13Å; P1622-E1807 HydrophobicContact CB-CG 3.95Å |
| 1623 | S | 84.1 | Confident | 85.9 | Confident | 66 Ų | 66 | 27.4 Ų | 27.4 | 46% | 0.462 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.5 | -43 | 174 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | L1621 W1626 F1627 | L1621-S1623 PolarHBondContact O-N 3.26Å; L1621-S1623 VanDerWaalsContact O-N 3.16Å; S1623-W1626 PolarHBondContact O-N 2.87Å; S1623-F1627 WeakPolarHBondContact O-CB 3.49Å; S1623-F1627 PolarHBondContact O-N 3.32Å |
| 1624 | I | 88.2 | Confident | 86.4 | Confident | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -40.9 | 177 | -63.5 | 180 | 0 | 0 | 0 | 110.5 | L1255 M1258 M1259 L1620 L1621 W1626 F1627 I1628 | L1255-I1624 HydrophobicContact CB-CD1 4.19Å; L1255-I1624 HydrophobicContact CD2-CD1 4Å; M1258-I1624 HydrophobicContact CB-CD1 4.06Å; M1258-I1624 HydrophobicContact CB-CG2 4.17Å; M1258-I1624 HydrophobicContact SD-CD1 3.96Å; M1259-I1624 HydrophobicContact CE-CG1 4.42Å; M1259-I1624 HydrophobicContact CG-CG2 3.92Å; L1620-I1624 HydrophobicContact CD1-CB 4.2Å; L1620-I1624 HydrophobicContact CD1-CG2 3.96Å; L1621-I1624 HydrophobicContact CB-CB 4.42Å; L1621-I1624 HydrophobicContact CB-CD1 4.21Å; L1621-I1624 HydrophobicContact CB-CG1 4.14Å; L1621-I1624 HydrophobicContact CD1-CD1 4.04Å; L1621-I1624 PolarHBondContact O-N 3.4Å; I1624-W1626 PolarHBondContact O-N 2.98Å; I1624-F1627 PolarHBondContact O-N 2.87Å; I1624-I1628 HydrophobicContact CG2-CG1 3.98Å; I1624-I1628 WeakPolarHBondContact O-CB 3.22Å; I1624-I1628 WeakPolarHBondContact O-CG1 3.28Å; I1624-I1628 PolarHBondContact O-N 3.37Å |
| 1625 | Y | 89.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54 | -53.9 | 174.1 | 173.2 | -88.5 | 0 | 0 | 0 | 111.2 | M1262 K1612 L1620 L1621 N1629 | M1262-Y1625 HydrophobicContact CE-CD2 3.52Å; M1262-Y1625 HydrophobicContact CE-CE2 3.67Å; M1262-Y1625 HydrophobicContact CE-CG 4.39Å; M1262-Y1625 HydrophobicContact SD-CD2 4.45Å; K1612-Y1625 HydrophobicContact CD-CE1 3.87Å; K1612-Y1625 HydrophobicContact CD-CE2 4.3Å; K1612-Y1625 HydrophobicContact CG-CE1 4.43Å; K1612-Y1625 HydrophobicContact CG-CE2 4Å; L1620-Y1625 HydrophobicContact CD2-CD2 4.05Å; L1621-Y1625 PolarHBondContact O-N 2.91Å; L1621-Y1625 VanDerWaalsContact O-N 3.08Å; Y1625-N1629 VanDerWaalsContact CE1-ND2 3.3Å; Y1625-N1629 WeakPolarHBondContact CE1-ND2 3Å; Y1625-N1629 VanDerWaalsContact O-CB 3.24Å; Y1625-N1629 WeakPolarHBondContact O-CB 3.45Å; Y1625-N1629 PolarHBondContact O-N 2.84Å; Y1625-N1629 PolarHBondContact O-ND2 3.11Å |
| 1626 | W | 90.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.7 | -39.8 | -178.7 | -76.3 | 120.8 | 0 | 0 | 0 | 113.1 | P1603 P1622 S1623 I1624 Y1630 Y1681 F1685 V1803 L1804 E1807 | P1603-W1626 HydrophobicContact CB-CH2 4.46Å; P1622-W1626 PolarHBondContact O-N 2.99Å; P1622-W1626 VanDerWaalsContact O-N 3.13Å; S1623-W1626 PolarHBondContact O-N 2.87Å; I1624-W1626 PolarHBondContact O-N 2.98Å; W1626-Y1630 VanDerWaalsContact O-CB 3.26Å; W1626-Y1630 WeakPolarHBondContact O-CB 3.26Å; W1626-Y1630 PolarHBondContact O-N 2.92Å; W1626-Y1681 AromaticContact CE3-CD2 3.45Å; W1626-Y1681 HydrophobicContact CE3-CD2 3.45Å; W1626-Y1681 VanDerWaalsContact CE3-CD2 3.45Å; W1626-Y1681 AromaticContact CE3-CE2 3.72Å; W1626-Y1681 HydrophobicContact CE3-CE2 3.72Å; W1626-Y1681 HydrophobicContact CE3-CG 4.11Å; W1626-Y1681 HydrophobicContact CZ3-CD1 4.27Å; W1626-Y1681 AromaticContact CZ3-CD2 3.52Å; W1626-Y1681 HydrophobicContact CZ3-CD2 3.52Å; W1626-Y1681 AromaticContact CZ3-CE2 3.98Å; W1626-Y1681 HydrophobicContact CZ3-CE2 3.98Å; W1626-Y1681 AromaticContact CZ3-CG 3.67Å; W1626-Y1681 HydrophobicContact CZ3-CG 3.67Å; W1626-F1685 HydrophobicContact CH2-CE2 4.33Å; W1626-F1685 HydrophobicContact CH2-CZ 4.33Å; W1626-F1685 HydrophobicContact CZ2-CE1 4.42Å; W1626-F1685 HydrophobicContact CZ2-CE2 4.02Å; W1626-F1685 AromaticContact CZ2-CZ 3.61Å; W1626-F1685 HydrophobicContact CZ2-CZ 3.61Å; W1626-V1803 HydrophobicContact CD2-CG1 3.94Å; W1626-V1803 HydrophobicContact CE3-CG1 4.2Å; W1626-V1803 HydrophobicContact CG-CG1 4.31Å; W1626-V1803 HydrophobicContact CZ2-CG1 4.3Å; W1626-V1803 HydrophobicContact CZ3-CG1 4.5Å; W1626-L1804 HydrophobicContact CB-CD2 4.01Å; W1626-L1804 HydrophobicContact CG-CD2 4.47Å; W1626-E1807 PolarHBondContact NE1-OE2 3.46Å |
| 1627 | F | 90.4 | Very high | 87.2 | Confident | 97 Ų | 97 | 30.1 Ų | 30.1 | 43% | 0.425 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66 | -46.5 | -179.4 | -179.7 | -100.7 | 0 | 0 | 0 | 113.2 | S1623 I1624 N1629 Y1630 L1631 | S1623-F1627 WeakPolarHBondContact O-CB 3.49Å; S1623-F1627 PolarHBondContact O-N 3.32Å; I1624-F1627 PolarHBondContact O-N 2.87Å; F1627-N1629 VanDerWaalsContact C-N 3.35Å; F1627-Y1630 PolarHBondContact O-N 2.96Å; F1627-L1631 HydrophobicContact CE1-CD1 4.11Å; F1627-L1631 HydrophobicContact CZ-CD1 4.25Å; F1627-L1631 WeakPolarHBondContact O-CB 2.87Å; F1627-L1631 PolarHBondContact O-N 3.37Å |
| 1628 | I | 91.4 | Very high | 87.8 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.5 | -34.4 | 179.7 | -64.4 | -68.5 | 0 | 0 | 0 | 111.3 | M1259 M1262 A1263 I1624 Y1632 | M1259-I1628 HydrophobicContact CB-CD1 3.83Å; M1259-I1628 HydrophobicContact CB-CG1 4.26Å; M1259-I1628 HydrophobicContact CG-CD1 3.79Å; M1259-I1628 HydrophobicContact CG-CG1 4.04Å; M1262-I1628 HydrophobicContact CB-CB 4.32Å; M1262-I1628 HydrophobicContact CB-CG2 3.9Å; M1262-I1628 HydrophobicContact CG-CB 4.05Å; M1262-I1628 HydrophobicContact CG-CG2 3.78Å; A1263-I1628 HydrophobicContact CB-CG2 4.31Å; I1624-I1628 HydrophobicContact CG2-CG1 3.98Å; I1624-I1628 WeakPolarHBondContact O-CB 3.22Å; I1624-I1628 WeakPolarHBondContact O-CG1 3.28Å; I1624-I1628 PolarHBondContact O-N 3.37Å; I1628-Y1632 HydrophobicContact CG2-CD2 4.14Å; I1628-Y1632 HydrophobicContact CG2-CE2 4.45Å; I1628-Y1632 WeakPolarHBondContact O-CB 3.36Å; I1628-Y1632 WeakPolarHBondContact O-CD2 3.5Å; I1628-Y1632 PolarHBondContact O-N 2.9Å; I1628-Y1632 VanDerWaalsContact O-N 3.09Å |
| 1629 | N | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -51.8 | 169.6 | -79.1 | -25.8 | 0 | 0 | 0 | 111.1 | M1262 R1266 Y1625 F1627 L1631 Y1632 D1633 Y1681 | M1262-N1629 WeakPolarHBondContact CE-OD1 3.41Å; R1266-N1629 PolarHBondContact NE-OD1 3.29Å; R1266-N1629 PolarHBondContact NH2-OD1 2.99Å; Y1625-N1629 VanDerWaalsContact CE1-ND2 3.3Å; Y1625-N1629 WeakPolarHBondContact CE1-ND2 3Å; Y1625-N1629 VanDerWaalsContact O-CB 3.24Å; Y1625-N1629 WeakPolarHBondContact O-CB 3.45Å; Y1625-N1629 PolarHBondContact O-N 2.84Å; Y1625-N1629 PolarHBondContact O-ND2 3.11Å; F1627-N1629 VanDerWaalsContact C-N 3.35Å; N1629-L1631 PolarHBondContact O-N 2.88Å; N1629-Y1632 PolarHBondContact O-N 2.96Å; N1629-D1633 WeakPolarHBondContact O-CB 3.32Å; N1629-D1633 PolarHBondContact O-N 2.89Å; N1629-Y1681 HydrophobicContact CB-CE2 4.33Å; N1629-Y1681 WeakPolarHBondContact CB-OH 3.26Å; N1629-Y1681 PolarHBondContact O-OH 2.94Å; N1629-Y1681 VanDerWaalsContact O-OH 3.08Å |
| 1630 | Y | 91.4 | Very high | 89 | Confident | 28 Ų | 28 | 35 Ų | 35 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | -178.7 | -174.4 | -100.6 | 0 | 0 | 0 | 112.2 | W1626 F1627 D1633 Y1634 L1674 I1677 S1678 Y1681 F1800 | W1626-Y1630 VanDerWaalsContact O-CB 3.26Å; W1626-Y1630 WeakPolarHBondContact O-CB 3.26Å; W1626-Y1630 PolarHBondContact O-N 2.92Å; F1627-Y1630 PolarHBondContact O-N 2.96Å; Y1630-D1633 PolarHBondContact O-N 3.12Å; Y1630-Y1634 VanDerWaalsContact O-CB 3.32Å; Y1630-Y1634 WeakPolarHBondContact O-CB 3.27Å; Y1630-Y1634 PolarHBondContact O-N 3.39Å; Y1630-L1674 HydrophobicContact CE1-CD2 3.96Å; Y1630-L1674 WeakPolarHBondContact OH-CA 3.41Å; Y1630-L1674 WeakPolarHBondContact OH-CD2 3.31Å; Y1630-L1674 PolarHBondContact OH-O 3.16Å; Y1630-I1677 HydrophobicContact CD2-CB 4.19Å; Y1630-I1677 HydrophobicContact CD2-CG2 3.52Å; Y1630-I1677 HydrophobicContact CE2-CB 3.89Å; Y1630-I1677 HydrophobicContact CE2-CG2 3.76Å; Y1630-S1678 VanDerWaalsContact CE2-OG 3.27Å; Y1630-S1678 WeakPolarHBondContact CE2-OG 3.37Å; Y1630-Y1681 WeakPolarHBondContact CA-OH 3.4Å; Y1630-Y1681 HydrophobicContact CD2-CD2 4.49Å; Y1630-Y1681 HydrophobicContact CD2-CE2 4.16Å; Y1630-Y1681 PolarHBondContact N-OH 3.01Å; Y1630-F1800 HydrophobicContact CD1-CE2 4.41Å; Y1630-F1800 AromaticContact CD2-CD2 3.84Å; Y1630-F1800 HydrophobicContact CD2-CD2 3.84Å; Y1630-F1800 AromaticContact CD2-CE2 3.93Å; Y1630-F1800 HydrophobicContact CD2-CE2 3.93Å; Y1630-F1800 HydrophobicContact CE2-CD2 4.14Å; Y1630-F1800 HydrophobicContact CG-CD2 4.11Å; Y1630-F1800 AromaticContact CG-CE2 3.8Å; Y1630-F1800 HydrophobicContact CG-CE2 3.8Å; Y1630-F1800 HydrophobicContact CG-CZ 4.46Å |
| 1631 | L | 91 | Very high | 89.5 | Confident | 73 Ų | 73 | 34.9 Ų | 34.9 | 38% | 0.382 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 177.4 | -169.5 | 160.3 | 0 | 0 | 0 | 111.5 | F1627 N1629 Y1634 V1635 | F1627-L1631 HydrophobicContact CE1-CD1 4.11Å; F1627-L1631 HydrophobicContact CZ-CD1 4.25Å; F1627-L1631 WeakPolarHBondContact O-CB 2.87Å; F1627-L1631 PolarHBondContact O-N 3.37Å; N1629-L1631 PolarHBondContact O-N 2.88Å; L1631-Y1634 PolarHBondContact O-N 3.35Å; L1631-V1635 HydrophobicContact CD2-CG2 4.14Å; L1631-V1635 WeakPolarHBondContact O-CG2 3.39Å; L1631-V1635 PolarHBondContact O-N 2.92Å |
| 1632 | Y | 90.2 | Very high | 89.9 | Confident | 66 Ų | 66 | 34.5 Ų | 34.5 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 177.1 | -98.7 | -100.1 | 0 | 0 | 0 | 112.4 | A1263 R1266 I1628 N1629 Y1634 V1635 T1636 | A1263-Y1632 HydrophobicContact CB-CE2 3.5Å; A1263-Y1632 PolarHBondContact O-OH 3.35Å; R1266-Y1632 HydrophobicContact CB-CD1 3.68Å; R1266-Y1632 HydrophobicContact CB-CD2 4.33Å; R1266-Y1632 HydrophobicContact CB-CE1 4Å; R1266-Y1632 HydrophobicContact CB-CG 3.86Å; R1266-Y1632 HydrophobicContact CG-CG 4.26Å; I1628-Y1632 HydrophobicContact CG2-CD2 4.14Å; I1628-Y1632 HydrophobicContact CG2-CE2 4.45Å; I1628-Y1632 WeakPolarHBondContact O-CB 3.36Å; I1628-Y1632 WeakPolarHBondContact O-CD2 3.5Å; I1628-Y1632 PolarHBondContact O-N 2.9Å; I1628-Y1632 VanDerWaalsContact O-N 3.09Å; N1629-Y1632 PolarHBondContact O-N 2.96Å; Y1632-Y1634 VanDerWaalsContact C-N 3.26Å; Y1632-Y1634 PolarHBondContact O-N 3.13Å; Y1632-V1635 PolarHBondContact O-N 3.38Å; Y1632-T1636 PolarHBondContact O-N 2.9Å; Y1632-T1636 PolarHBondContact O-OG1 2.93Å |
| 1633 | D | 91.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.9 | -25 | -179.7 | -69 | -19.2 | 0 | 0 | 0 | 112 | R1266 F1599 N1629 Y1630 T1636 Y1637 I1677 Y1681 | R1266-D1633 IonicContact CZ-OD1 2.83Å; R1266-D1633 IonicContact CZ-OD2 2.66Å; R1266-D1633 IonicContact NH1-OD1 3.19Å; R1266-D1633 PolarHBondContact NH1-OD1 2.96Å; R1266-D1633 IonicContact NH1-OD2 2.81Å; R1266-D1633 PolarHBondContact NH1-OD2 2.9Å; R1266-D1633 IonicContact NH2-OD1 2.67Å; R1266-D1633 PolarHBondContact NH2-OD1 2.83Å; R1266-D1633 IonicContact NH2-OD2 3.34Å; R1266-D1633 PolarHBondContact NH2-OD2 3.07Å; F1599-D1633 HydrophobicContact CB-CB 4.42Å; F1599-D1633 HydrophobicContact CD1-CB 4.25Å; F1599-D1633 HydrophobicContact CD2-CB 3.75Å; F1599-D1633 HydrophobicContact CE1-CB 4.48Å; F1599-D1633 HydrophobicContact CE2-CB 3.99Å; F1599-D1633 WeakPolarHBondContact CE2-O 3.17Å; F1599-D1633 HydrophobicContact CG-CB 3.9Å; F1599-D1633 HydrophobicContact CZ-CB 4.35Å; F1599-D1633 VanDerWaalsContact CZ-O 3.28Å; F1599-D1633 WeakPolarHBondContact CZ-O 3.19Å; N1629-D1633 WeakPolarHBondContact O-CB 3.32Å; N1629-D1633 PolarHBondContact O-N 2.89Å; Y1630-D1633 PolarHBondContact O-N 3.12Å; D1633-T1636 WeakPolarHBondContact CA-OG1 3.46Å; D1633-T1636 PolarHBondContact O-OG1 3.28Å; D1633-Y1637 WeakPolarHBondContact O-CB 3.26Å; D1633-Y1637 PolarHBondContact O-N 2.73Å; D1633-Y1637 VanDerWaalsContact O-N 3.15Å; D1633-I1677 HydrophobicContact CB-CD1 4.49Å; D1633-I1677 HydrophobicContact CB-CG2 4.2Å; D1633-Y1681 PolarHBondContact OD2-OH 2.79Å |
| 1634 | Y | 92.4 | Very high | 90.5 | Very high | 55 Ų | 55 | 33 Ų | 33 | 22% | 0.216 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75.5 | -41.9 | 170.2 | 179.7 | -126.4 | 0 | 0 | 0 | 112.7 | Y1630 L1631 Y1632 T1636 Y1637 L1638 L1674 I1677 | Y1630-Y1634 VanDerWaalsContact O-CB 3.32Å; Y1630-Y1634 WeakPolarHBondContact O-CB 3.27Å; Y1630-Y1634 PolarHBondContact O-N 3.39Å; L1631-Y1634 PolarHBondContact O-N 3.35Å; Y1632-Y1634 VanDerWaalsContact C-N 3.26Å; Y1632-Y1634 PolarHBondContact O-N 3.13Å; Y1634-T1636 VanDerWaalsContact C-N 3.35Å; Y1634-T1636 PolarHBondContact O-N 3.21Å; Y1634-Y1637 PolarHBondContact O-N 3Å; Y1634-L1638 HydrophobicContact CD1-CD1 4.18Å; Y1634-L1638 HydrophobicContact CD2-CG 4.23Å; Y1634-L1638 HydrophobicContact CE1-CD1 3.71Å; Y1634-L1638 HydrophobicContact CE1-CG 4.25Å; Y1634-L1638 HydrophobicContact CE2-CD1 4.2Å; Y1634-L1638 HydrophobicContact CE2-CD2 3.84Å; Y1634-L1638 HydrophobicContact CE2-CG 3.81Å; Y1634-L1638 WeakPolarHBondContact O-CG 3.38Å; Y1634-L1638 PolarHBondContact O-N 2.94Å; Y1634-L1674 HydrophobicContact CD1-CD2 3.83Å; Y1634-L1674 HydrophobicContact CD2-CD2 3.52Å; Y1634-L1674 HydrophobicContact CD2-CG 3.85Å; Y1634-L1674 HydrophobicContact CE1-CD2 3.85Å; Y1634-L1674 HydrophobicContact CE1-CG 4.42Å; Y1634-L1674 HydrophobicContact CE2-CD1 4.17Å; Y1634-L1674 HydrophobicContact CE2-CD2 3.56Å; Y1634-L1674 HydrophobicContact CE2-CG 3.47Å; Y1634-L1674 VanDerWaalsContact CE2-CG 3.47Å; Y1634-L1674 HydrophobicContact CG-CD2 3.66Å; Y1634-L1674 HydrophobicContact CG-CG 4.47Å; Y1634-I1677 HydrophobicContact CD2-CD1 4.34Å |
| 1635 | V | 91.3 | Very high | 90.5 | Very high | 67 Ų | 67 | 33.2 Ų | 33.2 | 41% | 0.406 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 177.1 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | L1631 Y1632 L1638 L1639 | L1631-V1635 HydrophobicContact CD2-CG2 4.14Å; L1631-V1635 WeakPolarHBondContact O-CG2 3.39Å; L1631-V1635 PolarHBondContact O-N 2.92Å; Y1632-V1635 PolarHBondContact O-N 3.38Å; V1635-L1638 PolarHBondContact O-N 3.05Å; V1635-L1639 HydrophobicContact CG1-CD1 4.33Å; V1635-L1639 WeakPolarHBondContact O-CG 3.42Å; V1635-L1639 PolarHBondContact O-N 3.41Å; V1635-L1639 VanDerWaalsContact O-N 3.11Å |
| 1636 | T | 88.7 | Confident | 90.5 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.9 | -42.5 | 173 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | L1270 F1599 Y1632 D1633 Y1634 L1638 L1639 S1640 | L1270-T1636 HydrophobicContact CD1-CG2 3.33Å; F1599-T1636 WeakPolarHBondContact CE1-OG1 3.49Å; F1599-T1636 VanDerWaalsContact CZ-OG1 3.28Å; F1599-T1636 WeakPolarHBondContact CZ-OG1 3.39Å; Y1632-T1636 PolarHBondContact O-N 2.9Å; Y1632-T1636 PolarHBondContact O-OG1 2.93Å; D1633-T1636 WeakPolarHBondContact CA-OG1 3.46Å; D1633-T1636 PolarHBondContact O-OG1 3.28Å; Y1634-T1636 VanDerWaalsContact C-N 3.35Å; Y1634-T1636 PolarHBondContact O-N 3.21Å; T1636-L1638 PolarHBondContact O-N 3.44Å; T1636-L1639 PolarHBondContact O-N 3.13Å; T1636-S1640 PolarHBondContact O-N 3.05Å; T1636-S1640 PolarHBondContact O-OG 3.08Å; T1636-S1640 VanDerWaalsContact O-OG 3.06Å |
| 1637 | Y | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 173.7 | 178.5 | -88 | 0 | 0 | 0 | 112.1 | I1595 P1596 D1633 Y1634 L1639 S1640 S1641 I1669 G1673 | I1595-Y1637 HydrophobicContact CB-CD2 4.22Å; I1595-Y1637 HydrophobicContact CG2-CD2 3.77Å; P1596-Y1637 HydrophobicContact CG-CD2 4.06Å; P1596-Y1637 HydrophobicContact CG-CE2 4.06Å; D1633-Y1637 WeakPolarHBondContact O-CB 3.26Å; D1633-Y1637 PolarHBondContact O-N 2.73Å; D1633-Y1637 VanDerWaalsContact O-N 3.15Å; Y1634-Y1637 PolarHBondContact O-N 3Å; Y1637-L1639 PolarHBondContact O-N 3.25Å; Y1637-S1640 WeakPolarHBondContact CA-OG 3.28Å; Y1637-S1640 PolarHBondContact O-N 3.06Å; Y1637-S1640 PolarHBondContact O-OG 2.96Å; Y1637-S1641 WeakPolarHBondContact O-CB 3.28Å; Y1637-S1641 PolarHBondContact O-N 3.02Å; Y1637-S1641 PolarHBondContact O-OG 3.3Å; Y1637-I1669 WeakPolarHBondContact CE1-O 3.27Å; Y1637-I1669 PolarHBondContact OH-O 3.01Å; Y1637-G1673 VanDerWaalsContact CE1-CA 3.4Å |
| 1638 | L | 92.1 | Very high | 90.2 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 175.6 | -73.9 | 177.7 | 0 | 0 | 0 | 111.6 | Y1634 V1635 T1636 S1640 S1641 T1642 Y1670 | Y1634-L1638 HydrophobicContact CD1-CD1 4.18Å; Y1634-L1638 HydrophobicContact CD2-CG 4.23Å; Y1634-L1638 HydrophobicContact CE1-CD1 3.71Å; Y1634-L1638 HydrophobicContact CE1-CG 4.25Å; Y1634-L1638 HydrophobicContact CE2-CD1 4.2Å; Y1634-L1638 HydrophobicContact CE2-CD2 3.84Å; Y1634-L1638 HydrophobicContact CE2-CG 3.81Å; Y1634-L1638 WeakPolarHBondContact O-CG 3.38Å; Y1634-L1638 PolarHBondContact O-N 2.94Å; V1635-L1638 PolarHBondContact O-N 3.05Å; T1636-L1638 PolarHBondContact O-N 3.44Å; L1638-S1640 PolarHBondContact O-N 2.88Å; L1638-S1641 WeakPolarHBondContact CA-OG 3.38Å; L1638-S1641 PolarHBondContact O-N 3.3Å; L1638-S1641 PolarHBondContact O-OG 2.89Å; L1638-T1642 WeakPolarHBondContact O-CG2 3.34Å; L1638-T1642 PolarHBondContact O-N 3Å; L1638-T1642 PolarHBondContact O-OG1 3.38Å; L1638-Y1670 HydrophobicContact CD2-CD1 3.36Å; L1638-Y1670 HydrophobicContact CD2-CD2 3.98Å; L1638-Y1670 HydrophobicContact CD2-CE1 3.67Å; L1638-Y1670 HydrophobicContact CD2-CE2 4.24Å; L1638-Y1670 HydrophobicContact CD2-CG 3.54Å |
| 1639 | L | 90.7 | Very high | 89.9 | Confident | 98 Ų | 98 | 37.2 Ų | 37.2 | 51% | 0.513 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 179 | -70.2 | 169.6 | 0 | 0 | 0 | 113 | F1281 V1635 T1636 Y1637 T1642 L1643 | F1281-L1639 HydrophobicContact CE1-CB 3.94Å; V1635-L1639 HydrophobicContact CG1-CD1 4.33Å; V1635-L1639 WeakPolarHBondContact O-CG 3.42Å; V1635-L1639 PolarHBondContact O-N 3.41Å; V1635-L1639 VanDerWaalsContact O-N 3.11Å; T1636-L1639 PolarHBondContact O-N 3.13Å; Y1637-L1639 PolarHBondContact O-N 3.25Å; L1639-T1642 PolarHBondContact O-OG1 2.73Å; L1639-L1643 WeakPolarHBondContact O-CG 3.47Å |
| 1640 | S | 89.5 | Confident | 89.7 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.5 | -35.5 | 176.6 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | E1280 I1595 T1636 Y1637 L1638 L1643 C1644 | E1280-S1640 VanDerWaalsContact O-CB 3.23Å; E1280-S1640 WeakPolarHBondContact O-CB 3.48Å; I1595-S1640 WeakPolarHBondContact CD1-OG 3.45Å; I1595-S1640 VanDerWaalsContact CG2-OG 3.29Å; I1595-S1640 WeakPolarHBondContact CG2-OG 3.43Å; T1636-S1640 PolarHBondContact O-N 3.05Å; T1636-S1640 PolarHBondContact O-OG 3.08Å; T1636-S1640 VanDerWaalsContact O-OG 3.06Å; Y1637-S1640 WeakPolarHBondContact CA-OG 3.28Å; Y1637-S1640 PolarHBondContact O-N 3.06Å; Y1637-S1640 PolarHBondContact O-OG 2.96Å; L1638-S1640 PolarHBondContact O-N 2.88Å; S1640-L1643 PolarHBondContact O-N 3.21Å; S1640-C1644 PolarHBondContact O-N 3.48Å |
| 1641 | S | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.5 | -32.3 | 179.6 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | Y1637 L1638 L1643 C1644 I1645 | Y1637-S1641 WeakPolarHBondContact O-CB 3.28Å; Y1637-S1641 PolarHBondContact O-N 3.02Å; Y1637-S1641 PolarHBondContact O-OG 3.3Å; L1638-S1641 WeakPolarHBondContact CA-OG 3.38Å; L1638-S1641 PolarHBondContact O-N 3.3Å; L1638-S1641 PolarHBondContact O-OG 2.89Å; S1641-L1643 VanDerWaalsContact C-N 3.31Å; S1641-L1643 PolarHBondContact O-N 2.87Å; S1641-C1644 PolarHBondContact O-N 3.28Å; S1641-I1645 WeakPolarHBondContact O-CD1 3.36Å; S1641-I1645 VanDerWaalsContact O-CG1 3.29Å; S1641-I1645 WeakPolarHBondContact O-CG1 3.31Å; S1641-I1645 PolarHBondContact O-N 3.19Å |
| 1642 | T | 90.9 | Very high | 88.2 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 27% | 0.27 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -37.1 | 170.6 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | L1638 L1639 I1645 I1646 Y1670 | L1638-T1642 WeakPolarHBondContact O-CG2 3.34Å; L1638-T1642 PolarHBondContact O-N 3Å; L1638-T1642 PolarHBondContact O-OG1 3.38Å; L1639-T1642 PolarHBondContact O-OG1 2.73Å; T1642-I1645 PolarHBondContact O-N 2.9Å; T1642-I1646 WeakPolarHBondContact O-CB 3.46Å; T1642-I1646 WeakPolarHBondContact O-CD1 3.33Å; T1642-I1646 VanDerWaalsContact O-CG1 3.24Å; T1642-I1646 WeakPolarHBondContact O-CG1 3.47Å; T1642-I1646 PolarHBondContact O-N 3.43Å; T1642-Y1670 HydrophobicContact CG2-CE1 4.39Å; T1642-Y1670 VanDerWaalsContact CG2-OH 3.24Å; T1642-Y1670 WeakPolarHBondContact CG2-OH 3.48Å |
| 1643 | L | 90.8 | Very high | 87.2 | Confident | 74 Ų | 74 | 42.1 Ų | 42.1 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 173.8 | -67.4 | 172.8 | 0 | 0 | 0 | 111.9 | F1281 L1639 S1640 S1641 I1645 I1646 I1647 | F1281-L1643 HydrophobicContact CD1-CD1 4.12Å; L1639-L1643 WeakPolarHBondContact O-CG 3.47Å; S1640-L1643 PolarHBondContact O-N 3.21Å; S1641-L1643 VanDerWaalsContact C-N 3.31Å; S1641-L1643 PolarHBondContact O-N 2.87Å; L1643-I1645 VanDerWaalsContact C-N 3.35Å; L1643-I1645 PolarHBondContact O-N 3.35Å; L1643-I1646 PolarHBondContact O-N 2.86Å; L1643-I1647 WeakPolarHBondContact O-CG1 3.5Å; L1643-I1647 PolarHBondContact O-N 3.41Å; L1643-I1647 VanDerWaalsContact O-N 3.15Å |
| 1644 | C | 88.5 | Confident | 86.2 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 173.2 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | L1288 S1640 S1641 I1647 I1648 | L1288-C1644 HydrophobicContact CD1-CB 4.08Å; S1640-C1644 PolarHBondContact O-N 3.48Å; S1641-C1644 PolarHBondContact O-N 3.28Å; C1644-I1647 PolarHBondContact O-N 2.72Å; C1644-I1648 WeakPolarHBondContact O-CG1 3.41Å; C1644-I1648 PolarHBondContact O-N 2.84Å |
| 1645 | I | 88.1 | Confident | 85.1 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.3 | -68.7 | 160.1 | 0 | 0 | 0 | 111.2 | S1641 T1642 L1643 I1647 I1648 I1649 F1665 I1666 I1669 Y1670 | S1641-I1645 WeakPolarHBondContact O-CD1 3.36Å; S1641-I1645 VanDerWaalsContact O-CG1 3.29Å; S1641-I1645 WeakPolarHBondContact O-CG1 3.31Å; S1641-I1645 PolarHBondContact O-N 3.19Å; T1642-I1645 PolarHBondContact O-N 2.9Å; L1643-I1645 VanDerWaalsContact C-N 3.35Å; L1643-I1645 PolarHBondContact O-N 3.35Å; I1645-I1647 VanDerWaalsContact C-N 3.33Å; I1645-I1647 PolarHBondContact O-N 3.28Å; I1645-I1648 PolarHBondContact O-N 3.48Å; I1645-I1649 HydrophobicContact CG2-CD1 3.8Å; I1645-I1649 HydrophobicContact CG2-CG1 4.44Å; I1645-I1649 WeakPolarHBondContact O-CG1 3.12Å; I1645-I1649 PolarHBondContact O-N 3.22Å; I1645-F1665 HydrophobicContact CG1-CE1 4.44Å; I1645-I1666 HydrophobicContact CD1-CG1 4.32Å; I1645-I1666 HydrophobicContact CG2-CG1 4.3Å; I1645-I1669 HydrophobicContact CD1-CD1 4.05Å; I1645-I1669 HydrophobicContact CD1-CG2 4.25Å; I1645-I1669 HydrophobicContact CG1-CD1 3.94Å; I1645-Y1670 HydrophobicContact CD1-CE1 4.14Å |
| 1646 | I | 90 | Very high | 84.5 | Confident | 85 Ų | 85 | 38.4 Ų | 38.4 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.1 | -72.9 | 162.3 | 0 | 0 | 0 | 111.4 | T1642 L1643 I1648 I1649 I1650 | T1642-I1646 WeakPolarHBondContact O-CB 3.46Å; T1642-I1646 WeakPolarHBondContact O-CD1 3.33Å; T1642-I1646 VanDerWaalsContact O-CG1 3.24Å; T1642-I1646 WeakPolarHBondContact O-CG1 3.47Å; T1642-I1646 PolarHBondContact O-N 3.43Å; L1643-I1646 PolarHBondContact O-N 2.86Å; I1646-I1648 VanDerWaalsContact C-N 3.31Å; I1646-I1648 PolarHBondContact O-N 2.88Å; I1646-I1649 PolarHBondContact O-N 2.79Å; I1646-I1650 HydrophobicContact CG2-CD1 3.74Å; I1646-I1650 HydrophobicContact CG2-CG1 4.42Å; I1646-I1650 VanDerWaalsContact O-CG1 3.28Å; I1646-I1650 WeakPolarHBondContact O-CG1 3.49Å; I1646-I1650 PolarHBondContact O-N 3Å |
| 1647 | I | 88.1 | Confident | 84.2 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 14% | 0.138 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 177.6 | -63.8 | 162.1 | 0 | 0 | 0 | 111.3 | C1285 L1288 L1289 I1292 L1643 C1644 I1645 I1650 H1651 | C1285-I1647 HydrophobicContact CB-CD1 3.63Å; L1288-I1647 HydrophobicContact CD2-CB 3.94Å; L1288-I1647 HydrophobicContact CD2-CG2 3.44Å; L1288-I1647 VanDerWaalsContact CD2-CG2 3.44Å; L1289-I1647 HydrophobicContact CD2-CG2 3.65Å; L1289-I1647 HydrophobicContact CG-CD1 4.43Å; L1289-I1647 HydrophobicContact CG-CG2 4.15Å; I1292-I1647 HydrophobicContact CD1-CG2 4.02Å; L1643-I1647 WeakPolarHBondContact O-CG1 3.5Å; L1643-I1647 PolarHBondContact O-N 3.41Å; L1643-I1647 VanDerWaalsContact O-N 3.15Å; C1644-I1647 PolarHBondContact O-N 2.72Å; I1645-I1647 VanDerWaalsContact C-N 3.33Å; I1645-I1647 PolarHBondContact O-N 3.28Å; I1647-I1650 PolarHBondContact O-N 3.34Å; I1647-H1651 PolarHBondContact O-N 2.98Å |
| 1648 | I | 84.6 | Confident | 83.5 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -45.5 | 176.3 | -60 | 162.3 | 0 | 0 | 0 | 110.3 | L1288 L1588 C1644 I1645 I1646 I1650 H1651 G1652 Y1656 F1665 | L1288-I1648 HydrophobicContact CD1-CD1 4.31Å; L1288-I1648 HydrophobicContact CD1-CG1 4.32Å; L1288-I1648 HydrophobicContact CD2-CG1 4.33Å; L1588-I1648 HydrophobicContact CD1-CD1 3.36Å; L1588-I1648 HydrophobicContact CG-CD1 4.28Å; C1644-I1648 WeakPolarHBondContact O-CG1 3.41Å; C1644-I1648 PolarHBondContact O-N 2.84Å; I1645-I1648 PolarHBondContact O-N 3.48Å; I1646-I1648 VanDerWaalsContact C-N 3.31Å; I1646-I1648 PolarHBondContact O-N 2.88Å; I1648-I1650 VanDerWaalsContact C-N 3.29Å; I1648-I1650 PolarHBondContact O-N 2.96Å; I1648-H1651 PolarHBondContact O-N 3.04Å; I1648-H1651 VanDerWaalsContact O-N 3.11Å; I1648-G1652 PolarHBondContact O-N 2.81Å; I1648-G1652 VanDerWaalsContact O-N 3.12Å; I1648-Y1656 HydrophobicContact CG2-CD2 4.47Å; I1648-F1665 HydrophobicContact CD1-CE1 4.32Å; I1648-F1665 HydrophobicContact CD1-CZ 3.88Å |
| 1649 | I | 85.8 | Confident | 82.9 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59 | -39.9 | 177 | -68.3 | 168.3 | 0 | 0 | 0 | 111.2 | I1645 I1646 H1651 | I1645-I1649 HydrophobicContact CG2-CD1 3.8Å; I1645-I1649 HydrophobicContact CG2-CG1 4.44Å; I1645-I1649 WeakPolarHBondContact O-CG1 3.12Å; I1645-I1649 PolarHBondContact O-N 3.22Å; I1646-I1649 PolarHBondContact O-N 2.79Å; I1649-H1651 VanDerWaalsContact C-N 3.33Å; I1649-H1651 PolarHBondContact O-N 2.92Å |
| 1650 | I | 85.5 | Confident | 82.2 | Confident | 136 Ų | 136 | 45.7 Ų | 45.7 | 70% | 0.697 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65 | -34.2 | 176.5 | -71.2 | 165.6 | 0 | 0 | 0 | 112.2 | I1646 I1647 I1648 | I1646-I1650 HydrophobicContact CG2-CD1 3.74Å; I1646-I1650 HydrophobicContact CG2-CG1 4.42Å; I1646-I1650 VanDerWaalsContact O-CG1 3.28Å; I1646-I1650 WeakPolarHBondContact O-CG1 3.49Å; I1646-I1650 PolarHBondContact O-N 3Å; I1647-I1650 PolarHBondContact O-N 3.34Å; I1648-I1650 VanDerWaalsContact C-N 3.29Å; I1648-I1650 PolarHBondContact O-N 2.96Å |
| 1651 | H | 78.5 | Confident | 81.8 | Confident | 52 Ų | 52 | 45.9 Ų | 45.9 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -83.9 | -20.3 | -177.9 | 179.2 | 60.1 | 0 | 0 | 0 | 113.9 | I1292 E1296 I1647 I1648 I1649 N1653 | I1292-H1651 HydrophobicContact CD1-CB 4.05Å; E1296-H1651 IonicContact OE1-CE1 3.53Å; E1296-H1651 PolarHBondContact OE1-CE1 3.32Å; E1296-H1651 IonicContact OE1-ND1 3.67Å; E1296-H1651 PolarHBondContact OE1-ND1 3.29Å; I1647-H1651 PolarHBondContact O-N 2.98Å; I1648-H1651 PolarHBondContact O-N 3.04Å; I1648-H1651 VanDerWaalsContact O-N 3.11Å; I1649-H1651 VanDerWaalsContact C-N 3.33Å; I1649-H1651 PolarHBondContact O-N 2.92Å; H1651-N1653 PolarHBondContact CD2-ND2 2.99Å; H1651-N1653 PolarHBondContact NE2-ND2 3.44Å |
| 1652 | G | 72.5 | Confident | 81.6 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 17.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | I1648 S1654 I1657 | I1648-G1652 PolarHBondContact O-N 2.81Å; I1648-G1652 VanDerWaalsContact O-N 3.12Å; G1652-S1654 PolarHBondContact O-N 3.11Å; G1652-I1657 VanDerWaalsContact CA-CD1 3.44Å |
| 1653 | N | 71 | Confident | 81.4 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | trans | -68.4 | 129.4 | -179.5 | -76.5 | -18.8 | 0 | 0 | 0 | 113.7 | L1584 H1651 A1655 | L1584-N1653 VanDerWaalsContact CD2-ND2 3.27Å; L1584-N1653 WeakPolarHBondContact CD2-ND2 3.37Å; H1651-N1653 PolarHBondContact CD2-ND2 2.99Å; H1651-N1653 PolarHBondContact NE2-ND2 3.44Å; N1653-A1655 PolarHBondContact O-N 3.49Å | ||
| 1654 | S | 69.4 | Low | 81.2 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.4 | -48.3 | -170.1 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | G1652 Y1656 I1657 H1658 D1766 K1770 | G1652-S1654 PolarHBondContact O-N 3.11Å; S1654-Y1656 VanDerWaalsContact C-N 3.28Å; S1654-Y1656 PolarHBondContact O-N 3.34Å; S1654-I1657 PolarHBondContact O-N 3.19Å; S1654-H1658 PolarHBondContact O-N 3.35Å; S1654-D1766 PolarHBondContact OG-OD2 3Å; S1654-K1770 WeakPolarHBondContact OG-CE 3.35Å; S1654-K1770 PolarHBondContact OG-NZ 2.92Å |
| 1655 | A | 69.5 | Low | 81.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.3 | -39.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1653 T1661 I1762 D1766 | N1653-A1655 PolarHBondContact O-N 3.49Å; A1655-T1661 WeakPolarHBondContact O-CB 3.4Å; A1655-T1661 PolarHBondContact O-OG1 3.39Å; A1655-I1762 VanDerWaalsContact O-CG2 3.23Å; A1655-I1762 WeakPolarHBondContact O-CG2 3.45Å; A1655-D1766 WeakPolarHBondContact CA-OD2 3.26Å; A1655-D1766 HydrophobicContact CB-CB 3.76Å; A1655-D1766 PolarHBondContact N-OD2 3.03Å |
| 1656 | Y | 79.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -96.6 | -17.6 | -172.6 | -57.1 | -68.3 | 0 | 0 | 0 | 114.3 | D1581 L1584 I1648 S1654 F1665 F1759 I1762 | D1581-Y1656 PolarHBondContact O-OH 2.95Å; L1584-Y1656 HydrophobicContact CD2-CD2 4.48Å; L1584-Y1656 HydrophobicContact CD2-CE2 4Å; L1584-Y1656 HydrophobicContact CG-CE2 4.36Å; I1648-Y1656 HydrophobicContact CG2-CD2 4.47Å; S1654-Y1656 VanDerWaalsContact C-N 3.28Å; S1654-Y1656 PolarHBondContact O-N 3.34Å; Y1656-F1665 AromaticContact CD1-CD2 3.52Å; Y1656-F1665 HydrophobicContact CD1-CD2 3.52Å; Y1656-F1665 AromaticContact CD1-CE2 3.31Å; Y1656-F1665 HydrophobicContact CD1-CE2 3.31Å; Y1656-F1665 HydrophobicContact CD1-CG 4.27Å; Y1656-F1665 AromaticContact CD1-CZ 3.92Å; Y1656-F1665 HydrophobicContact CD1-CZ 3.92Å; Y1656-F1665 HydrophobicContact CE1-CD2 4.15Å; Y1656-F1665 AromaticContact CE1-CE2 3.78Å; Y1656-F1665 HydrophobicContact CE1-CE2 3.78Å; Y1656-F1665 HydrophobicContact CG-CD2 4.42Å; Y1656-F1665 HydrophobicContact CG-CE2 4.04Å; Y1656-F1665 HydrophobicContact CG-CZ 4.19Å; Y1656-F1759 HydrophobicContact CE1-CB 4.41Å; Y1656-F1759 HydrophobicContact CE1-CD1 4.45Å; Y1656-I1762 HydrophobicContact CD1-CG2 4.1Å; Y1656-I1762 HydrophobicContact CE1-CG2 4.29Å |
| 1657 | I | 80.6 | Confident | 81.3 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -105.3 | -14.4 | -170.7 | -60.1 | 169.6 | 0 | 0 | 0 | 112.1 | G1652 S1654 T1659 | G1652-I1657 VanDerWaalsContact CA-CD1 3.44Å; S1654-I1657 PolarHBondContact O-N 3.19Å; I1657-T1659 PolarHBondContact O-N 2.86Å |
| 1658 | H | 78.6 | Confident | 81.4 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 35% | 0.352 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -51.9 | 141.9 | 176.6 | -132.2 | -66.9 | 0 | 0 | 0 | 111.9 | S1654 D1660 T1661 I1662 H1769 | S1654-H1658 PolarHBondContact O-N 3.35Å; H1658-D1660 PolarHBondContact O-N 2.96Å; H1658-T1661 HydrophobicContact CB-CG2 4.15Å; H1658-T1661 PolarHBondContact N-OG1 3.36Å; H1658-T1661 PolarHBondContact O-N 2.84Å; H1658-T1661 PolarHBondContact O-OG1 3.28Å; H1658-I1662 PolarHBondContact O-N 3.08Å; H1658-H1769 AromaticContact NE2-CE1 3.94Å |
| 1659 | T | 78.4 | Confident | 81.7 | Confident | 100 Ų | 100 | 49 Ų | 49 | 61% | 0.613 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.8 | -39.8 | -177.8 | 45.8 | 0 | 0 | 0 | 0 | 114.6 | I1657 | I1657-T1659 PolarHBondContact O-N 2.86Š|
| 1660 | D | 77.1 | Confident | 82 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -19.1 | -172.8 | -54 | 11.1 | 0 | 0 | 0 | 113.2 | H1658 P1664 R1765 | H1658-D1660 PolarHBondContact O-N 2.96Å; D1660-P1664 WeakPolarHBondContact O-CD 3.46Å; D1660-R1765 IonicContact OD2-CZ 3.98Å; D1660-R1765 IonicContact OD2-NH1 2.63Å; D1660-R1765 PolarHBondContact OD2-NH1 3.09Å; D1660-R1765 IonicContact OD2-NH2 3.76Å; D1660-R1765 PolarHBondContact OD2-NH2 3.24Å |
| 1661 | T | 79.9 | Confident | 82.4 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -29.8 | -174.4 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | A1655 H1658 Y1663 P1664 F1665 I1762 L1781 | A1655-T1661 WeakPolarHBondContact O-CB 3.4Å; A1655-T1661 PolarHBondContact O-OG1 3.39Å; H1658-T1661 HydrophobicContact CB-CG2 4.15Å; H1658-T1661 PolarHBondContact N-OG1 3.36Å; H1658-T1661 PolarHBondContact O-N 2.84Å; H1658-T1661 PolarHBondContact O-OG1 3.28Å; T1661-Y1663 PolarHBondContact O-N 3.45Å; T1661-P1664 WeakPolarHBondContact O-CD 3.5Å; T1661-F1665 WeakPolarHBondContact O-CB 3.43Å; T1661-F1665 PolarHBondContact O-N 3.33Å; T1661-I1762 HydrophobicContact CG2-CG2 4.47Å; T1661-L1781 HydrophobicContact CG2-CD2 4.11Å |
| 1662 | I | 86.4 | Confident | 83 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 20% | 0.195 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | -174.9 | -166.7 | 169.4 | 0 | 0 | 0 | 114 | H1658 F1665 I1666 | H1658-I1662 PolarHBondContact O-N 3.08Å; I1662-F1665 PolarHBondContact O-N 2.95Å; I1662-I1666 HydrophobicContact CG1-CD1 3.89Å; I1662-I1666 VanDerWaalsContact O-CG1 3.28Å; I1662-I1666 WeakPolarHBondContact O-CG1 3.31Å; I1662-I1666 PolarHBondContact O-N 3.37Å |
| 1663 | Y | 87.9 | Confident | 83.9 | Confident | 168 Ų | 168 | 37.4 Ų | 37.4 | 66% | 0.659 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -68.2 | -46.9 | -179.6 | -61.7 | -79.5 | 0 | 0 | 0 | 112.8 | T1661 F1665 I1666 L1667 | T1661-Y1663 PolarHBondContact O-N 3.45Å; Y1663-F1665 VanDerWaalsContact C-N 3.33Å; Y1663-F1665 PolarHBondContact O-N 3.36Å; Y1663-I1666 PolarHBondContact O-N 3.48Å; Y1663-L1667 WeakPolarHBondContact O-CB 3.41Å; Y1663-L1667 PolarHBondContact O-N 3Å |
| 1664 | P | 85.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -37.9 | 172 | -28.3 | 38.4 | 0 | 0 | 0 | 114 | D1660 T1661 L1667 T1668 L1781 W1782 L1785 M1789 | D1660-P1664 WeakPolarHBondContact O-CD 3.46Å; T1661-P1664 WeakPolarHBondContact O-CD 3.5Å; P1664-L1667 PolarHBondContact O-N 3.03Å; P1664-T1668 WeakPolarHBondContact O-CG2 3.12Å; P1664-T1668 PolarHBondContact O-N 2.71Å; P1664-T1668 PolarHBondContact O-OG1 3.43Å; P1664-L1781 HydrophobicContact CB-CD2 3.87Å; P1664-L1781 HydrophobicContact CG-CD2 3.98Å; P1664-W1782 HydrophobicContact CG-CD2 4.03Å; P1664-W1782 HydrophobicContact CG-CG 4.41Å; P1664-W1782 HydrophobicContact CG-CH2 4.47Å; P1664-W1782 HydrophobicContact CG-CZ2 3.91Å; P1664-L1785 HydrophobicContact CB-CD1 3.71Å; P1664-M1789 HydrophobicContact CB-CE 3.72Å; P1664-M1789 WeakPolarHBondContact O-CE 3.48Å |
| 1665 | F | 87.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 177.2 | 172.3 | -107 | 0 | 0 | 0 | 112.6 | L1588 I1645 I1648 Y1656 T1661 I1662 Y1663 L1667 T1668 I1669 F1759 I1762 | L1588-F1665 HydrophobicContact CD1-CE2 4.19Å; L1588-F1665 HydrophobicContact CD1-CZ 3.92Å; I1645-F1665 HydrophobicContact CG1-CE1 4.44Å; I1648-F1665 HydrophobicContact CD1-CE1 4.32Å; I1648-F1665 HydrophobicContact CD1-CZ 3.88Å; Y1656-F1665 AromaticContact CD1-CD2 3.52Å; Y1656-F1665 HydrophobicContact CD1-CD2 3.52Å; Y1656-F1665 AromaticContact CD1-CE2 3.31Å; Y1656-F1665 HydrophobicContact CD1-CE2 3.31Å; Y1656-F1665 HydrophobicContact CD1-CG 4.27Å; Y1656-F1665 AromaticContact CD1-CZ 3.92Å; Y1656-F1665 HydrophobicContact CD1-CZ 3.92Å; Y1656-F1665 HydrophobicContact CE1-CD2 4.15Å; Y1656-F1665 AromaticContact CE1-CE2 3.78Å; Y1656-F1665 HydrophobicContact CE1-CE2 3.78Å; Y1656-F1665 HydrophobicContact CG-CD2 4.42Å; Y1656-F1665 HydrophobicContact CG-CE2 4.04Å; Y1656-F1665 HydrophobicContact CG-CZ 4.19Å; T1661-F1665 WeakPolarHBondContact O-CB 3.43Å; T1661-F1665 PolarHBondContact O-N 3.33Å; I1662-F1665 PolarHBondContact O-N 2.95Å; Y1663-F1665 VanDerWaalsContact C-N 3.33Å; Y1663-F1665 PolarHBondContact O-N 3.36Å; F1665-L1667 VanDerWaalsContact C-N 3.32Å; F1665-L1667 PolarHBondContact O-N 2.99Å; F1665-T1668 PolarHBondContact O-OG1 3.17Å; F1665-T1668 VanDerWaalsContact O-OG1 3.07Å; F1665-I1669 HydrophobicContact CD1-CD1 4.28Å; F1665-I1669 HydrophobicContact CD2-CD1 4.33Å; F1665-I1669 HydrophobicContact CE1-CD1 3.84Å; F1665-I1669 HydrophobicContact CE2-CD1 3.89Å; F1665-I1669 HydrophobicContact CZ-CD1 3.63Å; F1665-I1669 WeakPolarHBondContact O-CG1 3.46Å; F1665-I1669 PolarHBondContact O-N 3.34Å; F1665-F1759 AromaticContact CD2-CD1 3.77Å; F1665-F1759 HydrophobicContact CD2-CD1 3.77Å; F1665-F1759 AromaticContact CD2-CE1 3.53Å; F1665-F1759 HydrophobicContact CD2-CE1 3.53Å; F1665-F1759 AromaticContact CE2-CD1 3.75Å; F1665-F1759 HydrophobicContact CE2-CD1 3.75Å; F1665-F1759 AromaticContact CE2-CE1 3.41Å; F1665-F1759 HydrophobicContact CE2-CE1 3.41Å; F1665-F1759 VanDerWaalsContact CE2-CE1 3.41Å; F1665-F1759 HydrophobicContact CE2-CZ 4.14Å; F1665-I1762 HydrophobicContact CB-CD1 4.12Å; F1665-I1762 HydrophobicContact CD2-CD1 4.29Å |
| 1666 | I | 90.3 | Very high | 86.9 | Confident | 39 Ų | 39 | 35.1 Ų | 35.1 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.7 | -67.9 | 168.6 | 0 | 0 | 0 | 110.6 | I1645 I1662 Y1663 I1669 Y1670 | I1645-I1666 HydrophobicContact CD1-CG1 4.32Å; I1645-I1666 HydrophobicContact CG2-CG1 4.3Å; I1662-I1666 HydrophobicContact CG1-CD1 3.89Å; I1662-I1666 VanDerWaalsContact O-CG1 3.28Å; I1662-I1666 WeakPolarHBondContact O-CG1 3.31Å; I1662-I1666 PolarHBondContact O-N 3.37Å; Y1663-I1666 PolarHBondContact O-N 3.48Å; I1666-I1669 PolarHBondContact O-N 2.93Å; I1666-Y1670 HydrophobicContact CG2-CD2 4Å; I1666-Y1670 HydrophobicContact CG2-CE1 4.28Å; I1666-Y1670 HydrophobicContact CG2-CE2 3.37Å; I1666-Y1670 PolarHBondContact O-N 3.38Å |
| 1667 | L | 90.8 | Very high | 87.6 | Confident | 63 Ų | 63 | 35.1 Ų | 35.1 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.3 | -40 | -178 | -175 | 63.2 | 0 | 0 | 0 | 113.2 | Y1663 P1664 F1665 I1669 Y1670 L1671 W1782 M1789 | Y1663-L1667 WeakPolarHBondContact O-CB 3.41Å; Y1663-L1667 PolarHBondContact O-N 3Å; P1664-L1667 PolarHBondContact O-N 3.03Å; F1665-L1667 VanDerWaalsContact C-N 3.32Å; F1665-L1667 PolarHBondContact O-N 2.99Å; L1667-I1669 VanDerWaalsContact C-N 3.34Å; L1667-I1669 PolarHBondContact O-N 2.73Å; L1667-Y1670 PolarHBondContact O-N 3.39Å; L1667-L1671 HydrophobicContact CD1-CD1 4.35Å; L1667-L1671 HydrophobicContact CD1-CG 4.27Å; L1667-L1671 HydrophobicContact CG-CD1 4Å; L1667-L1671 HydrophobicContact CG-CG 4.36Å; L1667-L1671 WeakPolarHBondContact O-CB 3.42Å; L1667-L1671 WeakPolarHBondContact O-CG 3.46Å; L1667-L1671 PolarHBondContact O-N 2.78Å; L1667-W1782 HydrophobicContact CD2-CH2 3.9Å; L1667-W1782 HydrophobicContact CD2-CZ3 3.58Å; L1667-M1789 HydrophobicContact CB-CE 4.27Å; L1667-M1789 HydrophobicContact CD2-CE 4.07Å; L1667-M1789 HydrophobicContact CD2-SD 4.08Å; L1667-M1789 HydrophobicContact CG-CE 4.42Å |
| 1668 | T | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 112 | P1664 F1665 Y1670 L1671 Y1672 M1789 | P1664-T1668 WeakPolarHBondContact O-CG2 3.12Å; P1664-T1668 PolarHBondContact O-N 2.71Å; P1664-T1668 PolarHBondContact O-OG1 3.43Å; F1665-T1668 PolarHBondContact O-OG1 3.17Å; F1665-T1668 VanDerWaalsContact O-OG1 3.07Å; T1668-Y1670 PolarHBondContact O-N 3.09Å; T1668-L1671 PolarHBondContact O-N 2.69Å; T1668-Y1672 VanDerWaalsContact O-CB 3.3Å; T1668-Y1672 WeakPolarHBondContact O-CB 3.47Å; T1668-Y1672 PolarHBondContact O-N 3.17Å; T1668-M1789 HydrophobicContact CG2-CE 3.68Å; T1668-M1789 HydrophobicContact CG2-CG 3.8Å |
| 1669 | I | 91.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.3 | -69.8 | 169.7 | 0 | 0 | 0 | 111.6 | L1592 Y1637 I1645 F1665 I1666 L1667 G1673 F1759 | L1592-I1669 HydrophobicContact CD1-CG1 4.05Å; L1592-I1669 HydrophobicContact CD1-CG2 4Å; L1592-I1669 HydrophobicContact CD2-CG2 4.37Å; Y1637-I1669 WeakPolarHBondContact CE1-O 3.27Å; Y1637-I1669 PolarHBondContact OH-O 3.01Å; I1645-I1669 HydrophobicContact CD1-CD1 4.05Å; I1645-I1669 HydrophobicContact CD1-CG2 4.25Å; I1645-I1669 HydrophobicContact CG1-CD1 3.94Å; F1665-I1669 HydrophobicContact CD1-CD1 4.28Å; F1665-I1669 HydrophobicContact CD2-CD1 4.33Å; F1665-I1669 HydrophobicContact CE1-CD1 3.84Å; F1665-I1669 HydrophobicContact CE2-CD1 3.89Å; F1665-I1669 HydrophobicContact CZ-CD1 3.63Å; F1665-I1669 WeakPolarHBondContact O-CG1 3.46Å; F1665-I1669 PolarHBondContact O-N 3.34Å; I1666-I1669 PolarHBondContact O-N 2.93Å; L1667-I1669 VanDerWaalsContact C-N 3.34Å; L1667-I1669 PolarHBondContact O-N 2.73Å; I1669-G1673 PolarHBondContact O-N 2.88Å; I1669-F1759 HydrophobicContact CD1-CE1 4.31Å; I1669-F1759 HydrophobicContact CD1-CZ 4.16Å; I1669-F1759 HydrophobicContact CG1-CE1 4.02Å; I1669-F1759 HydrophobicContact CG1-CZ 3.73Å |
| 1670 | Y | 93.1 | Very high | 89.2 | Confident | 59 Ų | 59 | 26.9 Ų | 26.9 | 23% | 0.231 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.6 | -41.3 | 178.9 | -62.9 | -15.6 | 0 | 0 | 0 | 112.5 | L1638 T1642 I1645 I1666 L1667 T1668 Y1672 G1673 L1674 | L1638-Y1670 HydrophobicContact CD2-CD1 3.36Å; L1638-Y1670 HydrophobicContact CD2-CD2 3.98Å; L1638-Y1670 HydrophobicContact CD2-CE1 3.67Å; L1638-Y1670 HydrophobicContact CD2-CE2 4.24Å; L1638-Y1670 HydrophobicContact CD2-CG 3.54Å; T1642-Y1670 HydrophobicContact CG2-CE1 4.39Å; T1642-Y1670 VanDerWaalsContact CG2-OH 3.24Å; T1642-Y1670 WeakPolarHBondContact CG2-OH 3.48Å; I1645-Y1670 HydrophobicContact CD1-CE1 4.14Å; I1666-Y1670 HydrophobicContact CG2-CD2 4Å; I1666-Y1670 HydrophobicContact CG2-CE1 4.28Å; I1666-Y1670 HydrophobicContact CG2-CE2 3.37Å; I1666-Y1670 PolarHBondContact O-N 3.38Å; L1667-Y1670 PolarHBondContact O-N 3.39Å; T1668-Y1670 PolarHBondContact O-N 3.09Å; Y1670-Y1672 PolarHBondContact O-N 3Å; Y1670-G1673 PolarHBondContact O-N 3.13Å; Y1670-L1674 PolarHBondContact O-N 3.08Å |
| 1671 | L | 92.4 | Very high | 89.9 | Confident | 19 Ų | 19 | 23.1 Ų | 23.1 | 10% | 0.099 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 175.1 | -71 | 174.8 | 0 | 0 | 0 | 112.5 | L1667 T1668 L1674 A1675 M1789 L1792 L1793 | L1667-L1671 HydrophobicContact CD1-CD1 4.35Å; L1667-L1671 HydrophobicContact CD1-CG 4.27Å; L1667-L1671 HydrophobicContact CG-CD1 4Å; L1667-L1671 HydrophobicContact CG-CG 4.36Å; L1667-L1671 WeakPolarHBondContact O-CB 3.42Å; L1667-L1671 WeakPolarHBondContact O-CG 3.46Å; L1667-L1671 PolarHBondContact O-N 2.78Å; T1668-L1671 PolarHBondContact O-N 2.69Å; L1671-L1674 HydrophobicContact CD2-CD1 4.35Å; L1671-L1674 PolarHBondContact O-N 3.32Å; L1671-A1675 PolarHBondContact O-N 3.44Å; L1671-A1675 VanDerWaalsContact O-N 3.1Å; L1671-M1789 HydrophobicContact CD1-CB 3.97Å; L1671-M1789 HydrophobicContact CD1-CG 4.18Å; L1671-L1792 HydrophobicContact CB-CB 3.94Å; L1671-L1792 HydrophobicContact CB-CD1 4.26Å; L1671-L1793 HydrophobicContact CD2-CB 4.24Å; L1671-L1793 HydrophobicContact CD2-CD1 4.34Å |
| 1672 | Y | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 173.3 | 168.9 | -97.8 | 0 | 0 | 0 | 112.1 | L1592 T1668 Y1670 L1674 A1675 M1676 P1751 H1752 L1755 | L1592-Y1672 HydrophobicContact CB-CE1 4.13Å; T1668-Y1672 VanDerWaalsContact O-CB 3.3Å; T1668-Y1672 WeakPolarHBondContact O-CB 3.47Å; T1668-Y1672 PolarHBondContact O-N 3.17Å; Y1670-Y1672 PolarHBondContact O-N 3Å; Y1672-L1674 PolarHBondContact O-N 2.93Å; Y1672-A1675 PolarHBondContact O-N 3.48Å; Y1672-M1676 HydrophobicContact CD1-CG 4.21Å; Y1672-M1676 HydrophobicContact CD2-CG 3.81Å; Y1672-M1676 HydrophobicContact CE1-CG 3.86Å; Y1672-M1676 HydrophobicContact CE2-CG 3.4Å; Y1672-M1676 VanDerWaalsContact CE2-CG 3.4Å; Y1672-M1676 HydrophobicContact CE2-SD 3.82Å; Y1672-M1676 HydrophobicContact CG-CG 4.2Å; Y1672-M1676 VanDerWaalsContact CZ-CG 3.44Å; Y1672-M1676 WeakPolarHBondContact O-CB 3.39Å; Y1672-M1676 WeakPolarHBondContact O-CG 3.32Å; Y1672-M1676 PolarHBondContact O-N 2.91Å; Y1672-P1751 HydrophobicContact CD2-CB 4.08Å; Y1672-P1751 HydrophobicContact CE2-CB 4.26Å; Y1672-H1752 PolarHBondContact OH-CE1 2.84Å; Y1672-H1752 PolarHBondContact OH-ND1 3.47Å; Y1672-L1755 HydrophobicContact CD1-CD2 3.78Å; Y1672-L1755 HydrophobicContact CD2-CB 3.85Å; Y1672-L1755 HydrophobicContact CD2-CD2 3.75Å; Y1672-L1755 HydrophobicContact CD2-CG 4.25Å; Y1672-L1755 HydrophobicContact CE1-CD2 3.85Å; Y1672-L1755 HydrophobicContact CE2-CB 4.26Å; Y1672-L1755 HydrophobicContact CE2-CD2 3.82Å; Y1672-L1755 HydrophobicContact CG-CB 4.34Å; Y1672-L1755 HydrophobicContact CG-CD1 4.16Å; Y1672-L1755 HydrophobicContact CG-CD2 3.72Å; Y1672-L1755 HydrophobicContact CG-CG 4.3Å |
| 1673 | G | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.6 | -51.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1637 I1669 Y1670 A1675 M1676 I1677 | Y1637-G1673 VanDerWaalsContact CE1-CA 3.4Å; I1669-G1673 PolarHBondContact O-N 2.88Å; Y1670-G1673 PolarHBondContact O-N 3.13Å; G1673-A1675 VanDerWaalsContact C-N 3.33Å; G1673-A1675 PolarHBondContact O-N 2.91Å; G1673-M1676 PolarHBondContact O-N 2.96Å; G1673-I1677 WeakPolarHBondContact O-CD1 3.44Å; G1673-I1677 VanDerWaalsContact O-CG1 3.25Å; G1673-I1677 WeakPolarHBondContact O-CG1 3.4Å; G1673-I1677 PolarHBondContact O-N 2.03Å |
| 1674 | L | 91.1 | Very high | 90.4 | Very high | 31 Ų | 31 | 16.5 Ų | 16.5 | 16% | 0.162 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.2 | -43.1 | 177.2 | -71.1 | 168.6 | 0 | 0 | 0 | 112.6 | Y1630 Y1634 Y1670 L1671 Y1672 S1678 | Y1630-L1674 HydrophobicContact CE1-CD2 3.96Å; Y1630-L1674 WeakPolarHBondContact OH-CA 3.41Å; Y1630-L1674 WeakPolarHBondContact OH-CD2 3.31Å; Y1630-L1674 PolarHBondContact OH-O 3.16Å; Y1634-L1674 HydrophobicContact CD1-CD2 3.83Å; Y1634-L1674 HydrophobicContact CD2-CD2 3.52Å; Y1634-L1674 HydrophobicContact CD2-CG 3.85Å; Y1634-L1674 HydrophobicContact CE1-CD2 3.85Å; Y1634-L1674 HydrophobicContact CE1-CG 4.42Å; Y1634-L1674 HydrophobicContact CE2-CD1 4.17Å; Y1634-L1674 HydrophobicContact CE2-CD2 3.56Å; Y1634-L1674 HydrophobicContact CE2-CG 3.47Å; Y1634-L1674 VanDerWaalsContact CE2-CG 3.47Å; Y1634-L1674 HydrophobicContact CG-CD2 3.66Å; Y1634-L1674 HydrophobicContact CG-CG 4.47Å; Y1670-L1674 PolarHBondContact O-N 3.08Å; L1671-L1674 HydrophobicContact CD2-CD1 4.35Å; L1671-L1674 PolarHBondContact O-N 3.32Å; Y1672-L1674 PolarHBondContact O-N 2.93Å; L1674-S1678 PolarHBondContact O-OG 3.41Å |
| 1675 | A | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1671 Y1672 G1673 S1678 L1679 P1751 L1792 H1795 | L1671-A1675 PolarHBondContact O-N 3.44Å; L1671-A1675 VanDerWaalsContact O-N 3.1Å; Y1672-A1675 PolarHBondContact O-N 3.48Å; G1673-A1675 VanDerWaalsContact C-N 3.33Å; G1673-A1675 PolarHBondContact O-N 2.91Å; A1675-S1678 PolarHBondContact O-N 2.93Å; A1675-L1679 PolarHBondContact O-N 3Å; A1675-L1679 VanDerWaalsContact O-N 3.09Å; A1675-P1751 HydrophobicContact CB-CB 4.11Å; A1675-P1751 HydrophobicContact CB-CG 4.1Å; A1675-L1792 HydrophobicContact CB-CD2 4.15Å; A1675-H1795 HydrophobicContact CB-CB 4.15Å |
| 1676 | M | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.6 | -34.2 | -176.2 | -73 | -59.6 | -70 | 0 | 0 | 113.8 | P1596 Y1672 G1673 S1678 L1679 I1680 P1751 H1752 | P1596-M1676 HydrophobicContact CB-CB 3.95Å; P1596-M1676 HydrophobicContact CG-CB 3.91Å; Y1672-M1676 HydrophobicContact CD1-CG 4.21Å; Y1672-M1676 HydrophobicContact CD2-CG 3.81Å; Y1672-M1676 HydrophobicContact CE1-CG 3.86Å; Y1672-M1676 HydrophobicContact CE2-CG 3.4Å; Y1672-M1676 VanDerWaalsContact CE2-CG 3.4Å; Y1672-M1676 HydrophobicContact CE2-SD 3.82Å; Y1672-M1676 HydrophobicContact CG-CG 4.2Å; Y1672-M1676 VanDerWaalsContact CZ-CG 3.44Å; Y1672-M1676 WeakPolarHBondContact O-CB 3.39Å; Y1672-M1676 WeakPolarHBondContact O-CG 3.32Å; Y1672-M1676 PolarHBondContact O-N 2.91Å; G1673-M1676 PolarHBondContact O-N 2.96Å; M1676-S1678 VanDerWaalsContact C-N 3.34Å; M1676-L1679 HydrophobicContact CE-CD2 3.97Å; M1676-L1679 WeakPolarHBondContact O-CB 3.25Å; M1676-L1679 PolarHBondContact O-N 2.82Å; M1676-L1679 HydrophobicContact SD-CD2 3.78Å; M1676-I1680 HydrophobicContact CE-CD1 4.34Å; M1676-I1680 WeakPolarHBondContact O-CB 3.43Å; M1676-I1680 WeakPolarHBondContact O-CG1 3.43Å; M1676-I1680 PolarHBondContact O-N 2.8Å; M1676-P1751 HydrophobicContact CG-CB 4.38Å; M1676-P1751 HydrophobicContact SD-CB 3.83Å; M1676-P1751 HydrophobicContact SD-CG 4.1Å; M1676-H1752 VanDerWaalsContact CE-NE2 3.29Å; M1676-H1752 WeakPolarHBondContact CE-NE2 3.27Å |
| 1677 | I | 92.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.5 | -62.5 | 159.7 | 0 | 0 | 0 | 109.7 | F1599 Y1630 D1633 Y1634 G1673 L1679 I1680 Y1681 | F1599-I1677 HydrophobicContact CD2-CG1 4.03Å; F1599-I1677 HydrophobicContact CE2-CD1 4.35Å; F1599-I1677 HydrophobicContact CE2-CG1 4.07Å; Y1630-I1677 HydrophobicContact CD2-CB 4.19Å; Y1630-I1677 HydrophobicContact CD2-CG2 3.52Å; Y1630-I1677 HydrophobicContact CE2-CB 3.89Å; Y1630-I1677 HydrophobicContact CE2-CG2 3.76Å; D1633-I1677 HydrophobicContact CB-CD1 4.49Å; D1633-I1677 HydrophobicContact CB-CG2 4.2Å; Y1634-I1677 HydrophobicContact CD2-CD1 4.34Å; G1673-I1677 WeakPolarHBondContact O-CD1 3.44Å; G1673-I1677 VanDerWaalsContact O-CG1 3.25Å; G1673-I1677 WeakPolarHBondContact O-CG1 3.4Å; G1673-I1677 PolarHBondContact O-N 2.03Å; I1677-L1679 PolarHBondContact O-N 2.68Å; I1677-I1680 PolarHBondContact O-N 2.67Å; I1677-Y1681 HydrophobicContact CG2-CD1 4.25Å; I1677-Y1681 HydrophobicContact CG2-CE1 3.84Å; I1677-Y1681 HydrophobicContact CG2-CE2 4.2Å; I1677-Y1681 WeakPolarHBondContact O-CD1 3.27Å; I1677-Y1681 PolarHBondContact O-N 3.3Å |
| 1678 | S | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.7 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | Y1630 L1674 A1675 M1676 I1680 Y1681 L1682 S1796 L1799 | Y1630-S1678 VanDerWaalsContact CE2-OG 3.27Å; Y1630-S1678 WeakPolarHBondContact CE2-OG 3.37Å; L1674-S1678 PolarHBondContact O-OG 3.41Å; A1675-S1678 PolarHBondContact O-N 2.93Å; M1676-S1678 VanDerWaalsContact C-N 3.34Å; S1678-I1680 VanDerWaalsContact C-N 3.33Å; S1678-I1680 PolarHBondContact O-N 2.62Å; S1678-Y1681 PolarHBondContact O-N 3.4Å; S1678-L1682 PolarHBondContact O-N 3.29Å; S1678-L1682 VanDerWaalsContact O-N 3.11Å; S1678-S1796 PolarHBondContact OG-O 3.33Å; S1678-L1799 VanDerWaalsContact CB-CB 3.48Å |
| 1679 | L | 90.1 | Very high | 88.1 | Confident | 53 Ų | 53 | 32.6 Ų | 32.6 | 28% | 0.277 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.7 | -43 | 175.3 | -170.4 | 80 | 0 | 0 | 0 | 112 | A1675 M1676 I1677 L1682 A1683 L1799 | A1675-L1679 PolarHBondContact O-N 3Å; A1675-L1679 VanDerWaalsContact O-N 3.09Å; M1676-L1679 HydrophobicContact CE-CD2 3.97Å; M1676-L1679 WeakPolarHBondContact O-CB 3.25Å; M1676-L1679 PolarHBondContact O-N 2.82Å; M1676-L1679 HydrophobicContact SD-CD2 3.78Å; I1677-L1679 PolarHBondContact O-N 2.68Å; L1679-L1682 WeakPolarHBondContact O-CB 3.31Å; L1679-L1682 PolarHBondContact O-N 2.88Å; L1679-A1683 PolarHBondContact O-N 3.48Å; L1679-L1799 HydrophobicContact CB-CD1 4.12Å; L1679-L1799 HydrophobicContact CD1-CD1 3.99Å |
| 1680 | I | 91.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.8 | -29.4 | -175.6 | -72.6 | 165.3 | 0 | 0 | 0 | 112 | P1596 I1600 M1676 I1677 S1678 L1682 A1683 S1684 M1697 | P1596-I1680 HydrophobicContact CB-CD1 3.34Å; P1596-I1680 WeakPolarHBondContact O-CD1 3.45Å; I1600-I1680 HydrophobicContact CB-CG2 3.7Å; I1600-I1680 HydrophobicContact CD1-CG2 4.28Å; I1600-I1680 HydrophobicContact CG1-CG2 4.15Å; M1676-I1680 HydrophobicContact CE-CD1 4.34Å; M1676-I1680 WeakPolarHBondContact O-CB 3.43Å; M1676-I1680 WeakPolarHBondContact O-CG1 3.43Å; M1676-I1680 PolarHBondContact O-N 2.8Å; I1677-I1680 PolarHBondContact O-N 2.67Å; S1678-I1680 VanDerWaalsContact C-N 3.33Å; S1678-I1680 PolarHBondContact O-N 2.62Å; I1680-L1682 VanDerWaalsContact C-N 3.33Å; I1680-A1683 PolarHBondContact O-N 3.37Å; I1680-S1684 PolarHBondContact O-N 3Å; I1680-M1697 HydrophobicContact CG1-CE 4.11Å |
| 1681 | Y | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 168.1 | -76.5 | 11.3 | 0 | 0 | 0 | 111.4 | W1626 N1629 Y1630 D1633 I1677 S1678 S1684 F1685 | W1626-Y1681 AromaticContact CE3-CD2 3.45Å; W1626-Y1681 HydrophobicContact CE3-CD2 3.45Å; W1626-Y1681 VanDerWaalsContact CE3-CD2 3.45Å; W1626-Y1681 AromaticContact CE3-CE2 3.72Å; W1626-Y1681 HydrophobicContact CE3-CE2 3.72Å; W1626-Y1681 HydrophobicContact CE3-CG 4.11Å; W1626-Y1681 HydrophobicContact CZ3-CD1 4.27Å; W1626-Y1681 AromaticContact CZ3-CD2 3.52Å; W1626-Y1681 HydrophobicContact CZ3-CD2 3.52Å; W1626-Y1681 AromaticContact CZ3-CE2 3.98Å; W1626-Y1681 HydrophobicContact CZ3-CE2 3.98Å; W1626-Y1681 AromaticContact CZ3-CG 3.67Å; W1626-Y1681 HydrophobicContact CZ3-CG 3.67Å; N1629-Y1681 HydrophobicContact CB-CE2 4.33Å; N1629-Y1681 WeakPolarHBondContact CB-OH 3.26Å; N1629-Y1681 PolarHBondContact O-OH 2.94Å; N1629-Y1681 VanDerWaalsContact O-OH 3.08Å; Y1630-Y1681 WeakPolarHBondContact CA-OH 3.4Å; Y1630-Y1681 HydrophobicContact CD2-CD2 4.49Å; Y1630-Y1681 HydrophobicContact CD2-CE2 4.16Å; Y1630-Y1681 PolarHBondContact N-OH 3.01Å; D1633-Y1681 PolarHBondContact OD2-OH 2.79Å; I1677-Y1681 HydrophobicContact CG2-CD1 4.25Å; I1677-Y1681 HydrophobicContact CG2-CE1 3.84Å; I1677-Y1681 HydrophobicContact CG2-CE2 4.2Å; I1677-Y1681 WeakPolarHBondContact O-CD1 3.27Å; I1677-Y1681 PolarHBondContact O-N 3.3Å; S1678-Y1681 PolarHBondContact O-N 3.4Å; Y1681-S1684 WeakPolarHBondContact O-CB 3.4Å; Y1681-S1684 PolarHBondContact O-N 2.64Å; Y1681-S1684 PolarHBondContact O-OG 3.5Å; Y1681-F1685 WeakPolarHBondContact O-CD2 3.43Å |
| 1682 | L | 88.7 | Confident | 85.5 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 171.1 | -169.9 | 158.1 | 0 | 0 | 0 | 111.1 | S1678 L1679 I1680 S1684 F1685 L1799 I1802 V1803 L1806 | S1678-L1682 PolarHBondContact O-N 3.29Å; S1678-L1682 VanDerWaalsContact O-N 3.11Å; L1679-L1682 WeakPolarHBondContact O-CB 3.31Å; L1679-L1682 PolarHBondContact O-N 2.88Å; I1680-L1682 VanDerWaalsContact C-N 3.33Å; L1682-S1684 VanDerWaalsContact C-N 3.27Å; L1682-S1684 PolarHBondContact O-N 3.38Å; L1682-F1685 PolarHBondContact O-N 3.35Å; L1682-L1799 HydrophobicContact CD1-CD2 4.16Å; L1682-I1802 HydrophobicContact CD1-CG2 3.67Å; L1682-V1803 HydrophobicContact CB-CG2 4.03Å; L1682-L1806 HydrophobicContact CG-CD1 4.26Å |
| 1683 | A | 87.1 | Confident | 84.9 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -30.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1600 L1679 I1680 F1685 L1686 F1687 M1697 | I1600-A1683 HydrophobicContact CD1-CB 4.26Å; L1679-A1683 PolarHBondContact O-N 3.48Å; I1680-A1683 PolarHBondContact O-N 3.37Å; A1683-F1685 PolarHBondContact O-N 3.22Å; A1683-F1685 VanDerWaalsContact O-N 3.1Å; A1683-L1686 WeakPolarHBondContact O-CB 3.37Å; A1683-L1686 PolarHBondContact O-N 3.49Å; A1683-F1687 WeakPolarHBondContact O-CD2 3.42Å; A1683-M1697 HydrophobicContact CB-CE 3.89Å; A1683-M1697 HydrophobicContact CB-SD 3.9Å |
| 1684 | S | 88.7 | Confident | 84.5 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57 | -28 | -179.4 | 82.8 | 0 | 0 | 0 | 0 | 113.7 | R1607 I1680 Y1681 L1682 L1686 | R1607-S1684 PolarHBondContact NH2-O 2.72Å; R1607-S1684 VanDerWaalsContact NH2-O 3.1Å; I1680-S1684 PolarHBondContact O-N 3Å; Y1681-S1684 WeakPolarHBondContact O-CB 3.4Å; Y1681-S1684 PolarHBondContact O-N 2.64Å; Y1681-S1684 PolarHBondContact O-OG 3.5Å; L1682-S1684 VanDerWaalsContact C-N 3.27Å; L1682-S1684 PolarHBondContact O-N 3.38Å; S1684-L1686 PolarHBondContact O-N 2.93Å |
| 1685 | F | 84.5 | Confident | 83.6 | Confident | 43 Ų | 43 | 35.6 Ų | 35.6 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.7 | 177.9 | -70.9 | -85.3 | 0 | 0 | 0 | 113.2 | R1607 W1626 Y1681 L1682 A1683 V1803 | R1607-F1685 VanDerWaalsContact CZ-O 3.32Å; R1607-F1685 PolarHBondContact NH1-O 2.79Å; R1607-F1685 VanDerWaalsContact NH2-C 3.29Å; R1607-F1685 PolarHBondContact NH2-O 3.25Å; W1626-F1685 HydrophobicContact CH2-CE2 4.33Å; W1626-F1685 HydrophobicContact CH2-CZ 4.33Å; W1626-F1685 HydrophobicContact CZ2-CE1 4.42Å; W1626-F1685 HydrophobicContact CZ2-CE2 4.02Å; W1626-F1685 AromaticContact CZ2-CZ 3.61Å; W1626-F1685 HydrophobicContact CZ2-CZ 3.61Å; Y1681-F1685 WeakPolarHBondContact O-CD2 3.43Å; L1682-F1685 PolarHBondContact O-N 3.35Å; A1683-F1685 PolarHBondContact O-N 3.22Å; A1683-F1685 VanDerWaalsContact O-N 3.1Å; F1685-V1803 HydrophobicContact CE2-CG1 4.34Å |
| 1686 | L | 81.7 | Confident | 83 | Confident | 144 Ų | 144 | 39.6 Ų | 39.6 | 75% | 0.754 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -28.3 | -177.3 | -58.9 | 175 | 0 | 0 | 0 | 114 | A1683 S1684 | A1683-L1686 WeakPolarHBondContact O-CB 3.37Å; A1683-L1686 PolarHBondContact O-N 3.49Å; S1684-L1686 PolarHBondContact O-N 2.93Å |
| 1687 | F | 79.6 | Confident | 82.7 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 13% | 0.127 | 21% | 0.213 | C | C | . | . | trans | -99.8 | 132.9 | -168.5 | -60.6 | -86.2 | 0 | 0 | 0 | 113.8 | I1600 V1604 R1607 A1683 A1693 L1696 M1697 | I1600-F1687 HydrophobicContact CD1-CD2 3.7Å; I1600-F1687 HydrophobicContact CD1-CE2 3.74Å; V1604-F1687 HydrophobicContact CG1-CB 4.26Å; V1604-F1687 WeakPolarHBondContact CG1-O 3.21Å; V1604-F1687 HydrophobicContact CG2-CB 4.2Å; R1607-F1687 PolarHBondContact NH2-O 2.99Å; A1683-F1687 WeakPolarHBondContact O-CD2 3.42Å; F1687-A1693 HydrophobicContact CB-CB 3.53Å; F1687-A1693 HydrophobicContact CD1-CB 3.88Å; F1687-A1693 HydrophobicContact CD2-CB 3.79Å; F1687-A1693 HydrophobicContact CE2-CB 4.44Å; F1687-A1693 HydrophobicContact CG-CB 3.46Å; F1687-A1693 VanDerWaalsContact CG-CB 3.46Å; F1687-L1696 HydrophobicContact CE1-CB 4.03Å; F1687-L1696 HydrophobicContact CE1-CD1 4.4Å; F1687-L1696 HydrophobicContact CE1-CD2 3.99Å; F1687-L1696 HydrophobicContact CE1-CG 4.36Å; F1687-L1696 HydrophobicContact CZ-CB 4.35Å; F1687-L1696 HydrophobicContact CZ-CD2 3.86Å; F1687-M1697 HydrophobicContact CE2-CG 4.11Å; F1687-M1697 HydrophobicContact CE2-SD 3.84Å; F1687-M1697 HydrophobicContact CZ-CG 4.29Å; F1687-M1697 HydrophobicContact CZ-SD 3.96Å | ||
| 1688 | K | 74.4 | Confident | 82.1 | Confident | 172 Ų | 172 | 40.8 Ų | 40.8 | 75% | 0.748 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -85.5 | -31.6 | 173.6 | -164 | 174.2 | -177.4 | -179.1 | 0 | 113.3 | N1608 | N1608-K1688 WeakPolarHBondContact CB-O 3.35Å; N1608-K1688 PolarHBondContact OD1-O 2.9Å |
| 1689 | S | 75.1 | Confident | 81.4 | Confident | 56 Ų | 56 | 42.6 Ų | 42.6 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -114.7 | 134.1 | -176.9 | 32.2 | 0 | 0 | 0 | 0 | 112.5 | V1604 T1692 A1693 | V1604-S1689 VanDerWaalsContact CG1-C 3.5Å; S1689-T1692 PolarHBondContact O-OG1 2.89Å; S1689-T1692 PolarHBondContact OG-OG1 2.95Å; S1689-A1693 WeakPolarHBondContact O-CB 3.36Å; S1689-A1693 PolarHBondContact O-N 2.81Å; S1689-A1693 VanDerWaalsContact O-N 3.14Å |
| 1690 | S | 78 | Confident | 81 | Confident | 24 Ų | 24 | 44 Ų | 44 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.5 | -43.8 | -170.9 | 169.6 | 0 | 0 | 0 | 0 | 113.7 | S1601 T1692 A1693 F1694 | S1601-S1690 WeakPolarHBondContact CA-OG 3.21Å; S1601-S1690 WeakPolarHBondContact O-CB 3.39Å; S1601-S1690 PolarHBondContact O-OG 3.35Å; S1690-T1692 PolarHBondContact O-N 2.99Å; S1690-A1693 WeakPolarHBondContact O-CB 3.23Å; S1690-A1693 PolarHBondContact O-N 2.85Å; S1690-F1694 PolarHBondContact O-N 2.87Å |
| 1691 | S | 70.4 | Confident | 80.8 | Confident | 20 Ų | 20 | 44 Ų | 44 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.5 | -31.7 | -178.2 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | V1695 | S1691-V1695 WeakPolarHBondContact O-CB 3.36Å; S1691-V1695 VanDerWaalsContact O-CG2 3.31Å; S1691-V1695 WeakPolarHBondContact O-CG2 3.43Å; S1691-V1695 PolarHBondContact O-N 3.47Å |
| 1692 | T | 73.8 | Confident | 80.2 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.9 | -36.2 | 173.8 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | S1689 S1690 L1696 | S1689-T1692 PolarHBondContact O-OG1 2.89Å; S1689-T1692 PolarHBondContact OG-OG1 2.95Å; S1690-T1692 PolarHBondContact O-N 2.99Å; T1692-L1696 WeakPolarHBondContact O-CB 3.49Å; T1692-L1696 PolarHBondContact O-N 2.93Å |
| 1693 | A | 81.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -52.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1600 V1604 F1687 S1689 S1690 V1695 L1696 M1697 | I1600-A1693 HydrophobicContact CD1-CB 4.1Å; I1600-A1693 HydrophobicContact CG1-CB 4.2Å; I1600-A1693 HydrophobicContact CG2-CB 3.93Å; V1604-A1693 HydrophobicContact CG1-CB 4.44Å; V1604-A1693 HydrophobicContact CG2-CB 4.09Å; F1687-A1693 HydrophobicContact CB-CB 3.53Å; F1687-A1693 HydrophobicContact CD1-CB 3.88Å; F1687-A1693 HydrophobicContact CD2-CB 3.79Å; F1687-A1693 HydrophobicContact CE2-CB 4.44Å; F1687-A1693 HydrophobicContact CG-CB 3.46Å; F1687-A1693 VanDerWaalsContact CG-CB 3.46Å; S1689-A1693 WeakPolarHBondContact O-CB 3.36Å; S1689-A1693 PolarHBondContact O-N 2.81Å; S1689-A1693 VanDerWaalsContact O-N 3.14Å; S1690-A1693 WeakPolarHBondContact O-CB 3.23Å; S1690-A1693 PolarHBondContact O-N 2.85Å; A1693-V1695 PolarHBondContact O-N 3.24Å; A1693-L1696 PolarHBondContact O-N 2.92Å; A1693-M1697 WeakPolarHBondContact O-CB 3.45Å; A1693-M1697 WeakPolarHBondContact O-CG 3.27Å; A1693-M1697 PolarHBondContact O-N 2.9Å |
| 1694 | F | 81.7 | Confident | 79.5 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.4 | -53 | 176.8 | 168.7 | -110.7 | 0 | 0 | 0 | 112 | I1279 A1597 I1600 S1690 L1696 M1697 C1698 | I1279-F1694 HydrophobicContact CD1-CE1 4.16Å; I1279-F1694 HydrophobicContact CD1-CZ 3.85Å; I1279-F1694 HydrophobicContact CG2-CE2 3.97Å; I1279-F1694 HydrophobicContact CG2-CZ 3.79Å; A1597-F1694 WeakPolarHBondContact O-CD2 3.5Å; I1600-F1694 HydrophobicContact CG2-CB 4.36Å; S1690-F1694 PolarHBondContact O-N 2.87Å; F1694-L1696 PolarHBondContact O-N 3.03Å; F1694-M1697 PolarHBondContact O-N 2.96Å; F1694-C1698 WeakPolarHBondContact CE2-SG 3.41Å; F1694-C1698 PolarHBondContact O-N 3.22Å; F1694-C1698 PolarHBondContact O-SG 3.32Å |
| 1695 | V | 71.8 | Confident | 79.2 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 24% | 0.242 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 178.7 | 153.3 | 0 | 0 | 0 | 0 | 112.2 | I704 S1691 A1693 C1698 G1699 | I704-V1695 HydrophobicContact CD1-CB 4.13Å; I704-V1695 HydrophobicContact CD1-CG1 3.24Å; I704-V1695 HydrophobicContact CD1-CG2 3.74Å; S1691-V1695 WeakPolarHBondContact O-CB 3.36Å; S1691-V1695 VanDerWaalsContact O-CG2 3.31Å; S1691-V1695 WeakPolarHBondContact O-CG2 3.43Å; S1691-V1695 PolarHBondContact O-N 3.47Å; A1693-V1695 PolarHBondContact O-N 3.24Å; V1695-C1698 PolarHBondContact O-N 3.42Å; V1695-G1699 PolarHBondContact O-N 2.91Å; V1695-G1699 VanDerWaalsContact O-N 3.09Å |
| 1696 | L | 79.7 | Confident | 78.9 | Confident | 85 Ų | 85 | 51 Ų | 51 | 45% | 0.445 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.8 | -34.3 | -172.4 | -162.4 | 147 | 0 | 0 | 0 | 111.3 | F1687 T1692 A1693 F1694 G1699 L1700 | F1687-L1696 HydrophobicContact CE1-CB 4.03Å; F1687-L1696 HydrophobicContact CE1-CD1 4.4Å; F1687-L1696 HydrophobicContact CE1-CD2 3.99Å; F1687-L1696 HydrophobicContact CE1-CG 4.36Å; F1687-L1696 HydrophobicContact CZ-CB 4.35Å; F1687-L1696 HydrophobicContact CZ-CD2 3.86Å; T1692-L1696 WeakPolarHBondContact O-CB 3.49Å; T1692-L1696 PolarHBondContact O-N 2.93Å; A1693-L1696 PolarHBondContact O-N 2.92Å; F1694-L1696 PolarHBondContact O-N 3.03Å; L1696-G1699 PolarHBondContact O-N 3.03Å; L1696-L1700 HydrophobicContact CD2-CD1 3.48Å; L1696-L1700 VanDerWaalsContact CD2-CD1 3.48Å; L1696-L1700 HydrophobicContact CD2-CG 3.79Å; L1696-L1700 WeakPolarHBondContact O-CB 3.39Å; L1696-L1700 WeakPolarHBondContact O-CG 3.23Å; L1696-L1700 PolarHBondContact O-N 3.49Å |
| 1697 | M | 85.5 | Confident | 78.8 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 171.8 | -67.9 | -49.6 | -61.7 | 0 | 0 | 112.8 | A1597 I1600 I1680 A1683 F1687 A1693 F1694 G1699 L1700 N1701 | A1597-M1697 HydrophobicContact CB-CB 4.22Å; I1600-M1697 HydrophobicContact CD1-CG 3.46Å; I1600-M1697 VanDerWaalsContact CD1-CG 3.46Å; I1600-M1697 HydrophobicContact CD1-SD 4.31Å; I1600-M1697 HydrophobicContact CG2-CG 4.38Å; I1680-M1697 HydrophobicContact CG1-CE 4.11Å; A1683-M1697 HydrophobicContact CB-CE 3.89Å; A1683-M1697 HydrophobicContact CB-SD 3.9Å; F1687-M1697 HydrophobicContact CE2-CG 4.11Å; F1687-M1697 HydrophobicContact CE2-SD 3.84Å; F1687-M1697 HydrophobicContact CZ-CG 4.29Å; F1687-M1697 HydrophobicContact CZ-SD 3.96Å; A1693-M1697 WeakPolarHBondContact O-CB 3.45Å; A1693-M1697 WeakPolarHBondContact O-CG 3.27Å; A1693-M1697 PolarHBondContact O-N 2.9Å; F1694-M1697 PolarHBondContact O-N 2.96Å; M1697-G1699 VanDerWaalsContact C-N 3.33Å; M1697-G1699 PolarHBondContact O-N 2.96Å; M1697-L1700 PolarHBondContact O-N 3.25Å; M1697-L1700 HydrophobicContact SD-CD1 4.41Å; M1697-N1701 VanDerWaalsContact O-CB 3.23Å; M1697-N1701 WeakPolarHBondContact O-CB 3.48Å; M1697-N1701 PolarHBondContact O-N 3.22Å; M1697-N1701 PolarHBondContact O-OD1 3.25Å |
| 1698 | C | 79.4 | Confident | 78.8 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 171.6 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | F1594 A1597 F1694 V1695 L1702 | F1594-C1698 HydrophobicContact CD1-CB 4.12Å; F1594-C1698 HydrophobicContact CE1-CB 4.01Å; A1597-C1698 VanDerWaalsContact CB-SG 3.57Å; F1694-C1698 WeakPolarHBondContact CE2-SG 3.41Å; F1694-C1698 PolarHBondContact O-N 3.22Å; F1694-C1698 PolarHBondContact O-SG 3.32Å; V1695-C1698 PolarHBondContact O-N 3.42Å; C1698-L1702 VanDerWaalsContact O-CB 3.28Å; C1698-L1702 WeakPolarHBondContact O-CB 3.33Å; C1698-L1702 PolarHBondContact O-N 3.22Å; C1698-L1702 VanDerWaalsContact O-N 3.08Å |
| 1699 | G | 75.5 | Confident | 78.9 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1695 L1696 M1697 L1702 V1703 | V1695-G1699 PolarHBondContact O-N 2.91Å; V1695-G1699 VanDerWaalsContact O-N 3.09Å; L1696-G1699 PolarHBondContact O-N 3.03Å; M1697-G1699 VanDerWaalsContact C-N 3.33Å; M1697-G1699 PolarHBondContact O-N 2.96Å; G1699-L1702 PolarHBondContact O-N 3.12Å; G1699-V1703 WeakPolarHBondContact O-CG2 3.22Å; G1699-V1703 PolarHBondContact O-N 3.22Å; G1699-V1703 VanDerWaalsContact O-N 3.09Å |
| 1700 | L | 82.8 | Confident | 79 | Confident | 81 Ų | 81 | 43.2 Ų | 43.2 | 42% | 0.424 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -47 | 177.5 | -74 | -177.1 | 0 | 0 | 0 | 112 | L1696 M1697 L1702 V1703 I1704 | L1696-L1700 HydrophobicContact CD2-CD1 3.48Å; L1696-L1700 VanDerWaalsContact CD2-CD1 3.48Å; L1696-L1700 HydrophobicContact CD2-CG 3.79Å; L1696-L1700 WeakPolarHBondContact O-CB 3.39Å; L1696-L1700 WeakPolarHBondContact O-CG 3.23Å; L1696-L1700 PolarHBondContact O-N 3.49Å; M1697-L1700 PolarHBondContact O-N 3.25Å; M1697-L1700 HydrophobicContact SD-CD1 4.41Å; L1700-L1702 VanDerWaalsContact C-N 3.27Å; L1700-L1702 PolarHBondContact O-N 3.5Å; L1700-V1703 PolarHBondContact O-N 3.16Å; L1700-I1704 HydrophobicContact CB-CD1 4.4Å; L1700-I1704 WeakPolarHBondContact O-CB 3.22Å; L1700-I1704 VanDerWaalsContact O-CG1 3.22Å; L1700-I1704 WeakPolarHBondContact O-CG1 3.47Å; L1700-I1704 PolarHBondContact O-N 3.23Å |
| 1701 | N | 85.7 | Confident | 79 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | 178.8 | -71.3 | 8.7 | 0 | 0 | 0 | 111.5 | S1593 M1697 S1705 H1752 | S1593-N1701 PolarHBondContact O-ND2 3.14Å; S1593-N1701 VanDerWaalsContact O-ND2 3.12Å; M1697-N1701 VanDerWaalsContact O-CB 3.23Å; M1697-N1701 WeakPolarHBondContact O-CB 3.48Å; M1697-N1701 PolarHBondContact O-N 3.22Å; M1697-N1701 PolarHBondContact O-OD1 3.25Å; N1701-S1705 WeakPolarHBondContact O-CB 3.45Å; N1701-S1705 PolarHBondContact O-N 2.83Å; N1701-H1752 PolarHBondContact O-CE1 2.89Å |
| 1702 | L | 79.3 | Confident | 79.2 | Confident | 69 Ų | 69 | 44.8 Ų | 44.8 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 174.8 | -177.3 | 158.6 | 0 | 0 | 0 | 111.8 | L1590 F1594 C1698 G1699 L1700 S1705 V1706 | L1590-L1702 HydrophobicContact CD2-CB 4.39Å; L1590-L1702 HydrophobicContact CD2-CD1 4.46Å; L1590-L1702 HydrophobicContact CD2-CG 3.76Å; F1594-L1702 HydrophobicContact CZ-CD1 4.2Å; C1698-L1702 VanDerWaalsContact O-CB 3.28Å; C1698-L1702 WeakPolarHBondContact O-CB 3.33Å; C1698-L1702 PolarHBondContact O-N 3.22Å; C1698-L1702 VanDerWaalsContact O-N 3.08Å; G1699-L1702 PolarHBondContact O-N 3.12Å; L1700-L1702 VanDerWaalsContact C-N 3.27Å; L1700-L1702 PolarHBondContact O-N 3.5Å; L1702-S1705 WeakPolarHBondContact O-CB 3Å; L1702-S1705 PolarHBondContact O-N 2.94Å; L1702-V1706 WeakPolarHBondContact O-CG2 3.49Å; L1702-V1706 PolarHBondContact O-N 3.36Å; L1702-V1706 VanDerWaalsContact O-N 3.08Å |
| 1703 | V | 77.7 | Confident | 79.1 | Confident | 81 Ų | 81 | 44.8 Ų | 44.8 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66 | -45.3 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | G1699 L1700 S1705 V1706 M1707 | G1699-V1703 WeakPolarHBondContact O-CG2 3.22Å; G1699-V1703 PolarHBondContact O-N 3.22Å; G1699-V1703 VanDerWaalsContact O-N 3.09Å; L1700-V1703 PolarHBondContact O-N 3.16Å; V1703-S1705 VanDerWaalsContact C-N 3.32Å; V1703-S1705 PolarHBondContact O-N 3.09Å; V1703-V1706 PolarHBondContact O-N 3.22Å; V1703-M1707 HydrophobicContact CG1-CG 4.18Å; V1703-M1707 WeakPolarHBondContact O-CB 3.27Å; V1703-M1707 WeakPolarHBondContact O-CG 3.31Å; V1703-M1707 PolarHBondContact O-N 2.98Å |
| 1704 | I | 83.1 | Confident | 78.6 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 35% | 0.349 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 177.6 | -66 | 165.1 | 0 | 0 | 0 | 110.4 | L1700 T1708 H1752 | L1700-I1704 HydrophobicContact CB-CD1 4.4Å; L1700-I1704 WeakPolarHBondContact O-CB 3.22Å; L1700-I1704 VanDerWaalsContact O-CG1 3.22Å; L1700-I1704 WeakPolarHBondContact O-CG1 3.47Å; L1700-I1704 PolarHBondContact O-N 3.23Å; I1704-T1708 HydrophobicContact CG2-CG2 4.11Å; I1704-T1708 WeakPolarHBondContact O-CB 3.42Å; I1704-T1708 VanDerWaalsContact O-CG2 3.3Å; I1704-T1708 WeakPolarHBondContact O-CG2 3.37Å; I1704-T1708 PolarHBondContact O-N 2.79Å; I1704-T1708 PolarHBondContact O-OG1 2.93Å; I1704-H1752 HydrophobicContact CG2-CB 4.07Å |
| 1705 | S | 81.7 | Confident | 78 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53 | -61.5 | 172.3 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | I1589 N1701 L1702 V1703 M1707 T1708 T1709 | I1589-S1705 WeakPolarHBondContact CG2-OG 3.44Å; N1701-S1705 WeakPolarHBondContact O-CB 3.45Å; N1701-S1705 PolarHBondContact O-N 2.83Å; L1702-S1705 WeakPolarHBondContact O-CB 3Å; L1702-S1705 PolarHBondContact O-N 2.94Å; V1703-S1705 VanDerWaalsContact C-N 3.32Å; V1703-S1705 PolarHBondContact O-N 3.09Å; S1705-M1707 VanDerWaalsContact C-N 3.32Å; S1705-M1707 PolarHBondContact O-N 3.17Å; S1705-T1708 PolarHBondContact O-N 3.46Å; S1705-T1708 PolarHBondContact O-OG1 3.01Å; S1705-T1709 WeakPolarHBondContact O-CG2 3.24Å; S1705-T1709 PolarHBondContact O-N 3.06Å; S1705-T1709 PolarHBondContact O-OG1 3.39Å |
| 1706 | V | 78.3 | Confident | 77.7 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | -174.3 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | L1590 L1702 V1703 T1709 F1710 | L1590-V1706 HydrophobicContact CD2-CG2 4.07Å; L1702-V1706 WeakPolarHBondContact O-CG2 3.49Å; L1702-V1706 PolarHBondContact O-N 3.36Å; L1702-V1706 VanDerWaalsContact O-N 3.08Å; V1703-V1706 PolarHBondContact O-N 3.22Å; V1706-T1709 WeakPolarHBondContact CA-OG1 3.36Å; V1706-T1709 PolarHBondContact O-OG1 2.97Å; V1706-F1710 WeakPolarHBondContact O-CB 3.14Å; V1706-F1710 PolarHBondContact O-N 3.25Å |
| 1707 | M | 80.8 | Confident | 77.1 | Confident | 105 Ų | 105 | 47.4 Ų | 47.4 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 176 | -65.8 | -62.5 | 102.7 | 0 | 0 | 112 | V1703 S1705 F1710 V1711 | V1703-M1707 HydrophobicContact CG1-CG 4.18Å; V1703-M1707 WeakPolarHBondContact O-CB 3.27Å; V1703-M1707 WeakPolarHBondContact O-CG 3.31Å; V1703-M1707 PolarHBondContact O-N 2.98Å; S1705-M1707 VanDerWaalsContact C-N 3.32Å; S1705-M1707 PolarHBondContact O-N 3.17Å; M1707-F1710 PolarHBondContact O-N 2.84Å; M1707-V1711 WeakPolarHBondContact O-CB 3.4Å; M1707-V1711 VanDerWaalsContact O-CG2 3.29Å; M1707-V1711 WeakPolarHBondContact O-CG2 3.13Å; M1707-V1711 PolarHBondContact O-N 2.95Å |
| 1708 | T | 79.5 | Confident | 76 | Confident | 14 Ų | 14 | 51 Ų | 51 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.6 | -28.3 | -179.7 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | I1704 S1705 R1712 H1752 S1756 | I1704-T1708 HydrophobicContact CG2-CG2 4.11Å; I1704-T1708 WeakPolarHBondContact O-CB 3.42Å; I1704-T1708 VanDerWaalsContact O-CG2 3.3Å; I1704-T1708 WeakPolarHBondContact O-CG2 3.37Å; I1704-T1708 PolarHBondContact O-N 2.79Å; I1704-T1708 PolarHBondContact O-OG1 2.93Å; S1705-T1708 PolarHBondContact O-N 3.46Å; S1705-T1708 PolarHBondContact O-OG1 3.01Å; T1708-R1712 VanDerWaalsContact O-CB 3.23Å; T1708-R1712 WeakPolarHBondContact O-CB 3.35Å; T1708-R1712 PolarHBondContact O-N 3.49Å; T1708-R1712 VanDerWaalsContact O-N 3.17Å; T1708-H1752 HydrophobicContact CG2-CB 4.36Å; T1708-H1752 WeakPolarHBondContact OG1-CB 3.46Å; T1708-S1756 PolarHBondContact O-OG 3.34Å |
| 1709 | T | 75.7 | Confident | 75.2 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 167.3 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | Y1582 I1589 S1705 V1706 R1712 F1713 | Y1582-T1709 PolarHBondContact OH-O 2.92Å; I1589-T1709 HydrophobicContact CD1-CG2 3.38Å; S1705-T1709 WeakPolarHBondContact O-CG2 3.24Å; S1705-T1709 PolarHBondContact O-N 3.06Å; S1705-T1709 PolarHBondContact O-OG1 3.39Å; V1706-T1709 WeakPolarHBondContact CA-OG1 3.36Å; V1706-T1709 PolarHBondContact O-OG1 2.97Å; T1709-R1712 PolarHBondContact O-N 3.2Å; T1709-F1713 VanDerWaalsContact O-CB 3.31Å; T1709-F1713 WeakPolarHBondContact O-CB 3.28Å; T1709-F1713 PolarHBondContact O-N 3.32Å |
| 1710 | F | 77.5 | Confident | 74.3 | Confident | 117 Ų | 117 | 52.8 Ų | 52.8 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | -177.9 | -177.1 | -96 | 0 | 0 | 0 | 112.7 | Y1582 V1706 M1707 R1712 F1713 F1714 | Y1582-F1710 PolarHBondContact OH-N 3.46Å; V1706-F1710 WeakPolarHBondContact O-CB 3.14Å; V1706-F1710 PolarHBondContact O-N 3.25Å; M1707-F1710 PolarHBondContact O-N 2.84Å; F1710-R1712 VanDerWaalsContact C-N 3.35Å; F1710-R1712 PolarHBondContact O-N 3.03Å; F1710-F1713 PolarHBondContact O-N 3.1Å; F1710-F1714 WeakPolarHBondContact O-CB 3.46Å; F1710-F1714 PolarHBondContact O-N 2.73Å |
| 1711 | V | 78.3 | Confident | 73.1 | Confident | 55 Ų | 55 | 53.3 Ų | 53.3 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 177 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | M1707 L1715 L1747 | M1707-V1711 WeakPolarHBondContact O-CB 3.4Å; M1707-V1711 VanDerWaalsContact O-CG2 3.29Å; M1707-V1711 WeakPolarHBondContact O-CG2 3.13Å; M1707-V1711 PolarHBondContact O-N 2.95Å; V1711-L1715 HydrophobicContact CG1-CD1 3.73Å; V1711-L1715 HydrophobicContact CG1-CG 4.35Å; V1711-L1715 WeakPolarHBondContact O-CB 3.31Å; V1711-L1715 VanDerWaalsContact O-CG 3.25Å; V1711-L1715 WeakPolarHBondContact O-CG 3.31Å; V1711-L1715 PolarHBondContact O-N 2.91Å; V1711-L1747 HydrophobicContact CG1-CD1 3.55Å |
| 1712 | R | 74.3 | Confident | 71.6 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -47.8 | 176.1 | -175.4 | 69.8 | -166.8 | -169.1 | -2 | 111.8 | T1708 T1709 F1710 F1714 L1715 E1716 Y1753 | T1708-R1712 VanDerWaalsContact O-CB 3.23Å; T1708-R1712 WeakPolarHBondContact O-CB 3.35Å; T1708-R1712 PolarHBondContact O-N 3.49Å; T1708-R1712 VanDerWaalsContact O-N 3.17Å; T1709-R1712 PolarHBondContact O-N 3.2Å; F1710-R1712 VanDerWaalsContact C-N 3.35Å; F1710-R1712 PolarHBondContact O-N 3.03Å; R1712-F1714 PolarHBondContact O-N 2.67Å; R1712-L1715 PolarHBondContact O-N 3.36Å; R1712-E1716 IonicContact CZ-OE1 3.7Å; R1712-E1716 IonicContact NE-OE1 2.67Å; R1712-E1716 PolarHBondContact NE-OE1 2.99Å; R1712-E1716 IonicContact NH2-OE1 3.07Å; R1712-E1716 PolarHBondContact NH2-OE1 3.32Å; R1712-E1716 PolarHBondContact O-N 3.03Å; R1712-Y1753 HydrophobicContact CB-CD2 4.17Å; R1712-Y1753 HydrophobicContact CB-CE2 3.9Å; R1712-Y1753 VanDerWaalsContact CD-CZ 3.41Å; R1712-Y1753 WeakPolarHBondContact CD-OH 3.34Å; R1712-Y1753 HydrophobicContact CG-CE2 4.31Å; R1712-Y1753 PolarHBondContact NH1-OH 2.98Å |
| 1713 | F | 71 | Confident | 70.2 | Confident | 52 Ų | 52 | 56 Ų | 56 | 23% | 0.228 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.6 | -49.2 | 174.8 | 178.2 | -99.8 | 0 | 0 | 0 | 111.7 | Y1582 T1709 F1710 E1716 I1717 F1760 | Y1582-F1713 HydrophobicContact CD1-CD2 4.36Å; Y1582-F1713 HydrophobicContact CD1-CE2 4.33Å; Y1582-F1713 AromaticContact CD2-CD2 3.81Å; Y1582-F1713 HydrophobicContact CD2-CD2 3.81Å; Y1582-F1713 HydrophobicContact CD2-CE2 4.38Å; Y1582-F1713 HydrophobicContact CE1-CD2 4.36Å; Y1582-F1713 HydrophobicContact CE2-CB 3.84Å; Y1582-F1713 AromaticContact CE2-CD2 3.81Å; Y1582-F1713 HydrophobicContact CE2-CD2 3.81Å; Y1582-F1713 HydrophobicContact CE2-CG 4.04Å; Y1582-F1713 HydrophobicContact CG-CD2 4.1Å; Y1582-F1713 HydrophobicContact CG-CE2 4.22Å; T1709-F1713 VanDerWaalsContact O-CB 3.31Å; T1709-F1713 WeakPolarHBondContact O-CB 3.28Å; T1709-F1713 PolarHBondContact O-N 3.32Å; F1710-F1713 PolarHBondContact O-N 3.1Å; F1713-E1716 PolarHBondContact O-N 3.07Å; F1713-I1717 HydrophobicContact CD1-CD1 3.73Å; F1713-I1717 HydrophobicContact CD2-CD1 4.35Å; F1713-I1717 HydrophobicContact CE1-CD1 3.39Å; F1713-I1717 HydrophobicContact CE2-CD1 4.05Å; F1713-I1717 HydrophobicContact CG-CD1 4.2Å; F1713-I1717 HydrophobicContact CZ-CD1 3.57Å; F1713-I1717 WeakPolarHBondContact O-CG1 3.24Å; F1713-I1717 PolarHBondContact O-N 3.48Å; F1713-F1760 HydrophobicContact CD2-CD2 4.31Å; F1713-F1760 AromaticContact CD2-CE2 3.56Å; F1713-F1760 HydrophobicContact CD2-CE2 3.56Å; F1713-F1760 AromaticContact CD2-CZ 3.94Å; F1713-F1760 HydrophobicContact CD2-CZ 3.94Å; F1713-F1760 HydrophobicContact CE2-CE2 4.08Å; F1713-F1760 HydrophobicContact CE2-CZ 4.47Å |
| 1714 | F | 72.3 | Confident | 68.8 | Low | 112 Ų | 112 | 57.7 Ų | 57.7 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 179 | -175.6 | -106.8 | 0 | 0 | 0 | 113 | F1710 R1712 I1717 L1718 | F1710-F1714 WeakPolarHBondContact O-CB 3.46Å; F1710-F1714 PolarHBondContact O-N 2.73Å; R1712-F1714 PolarHBondContact O-N 2.67Å; F1714-I1717 PolarHBondContact O-N 2.87Å; F1714-L1718 HydrophobicContact CD1-CD1 3.98Å; F1714-L1718 HydrophobicContact CE1-CD1 3.57Å; F1714-L1718 HydrophobicContact CE1-CG 4.48Å; F1714-L1718 HydrophobicContact CZ-CD1 3.94Å; F1714-L1718 HydrophobicContact CZ-CG 4.5Å; F1714-L1718 WeakPolarHBondContact O-CG 3.33Å; F1714-L1718 PolarHBondContact O-N 3.02Å |
| 1715 | L | 68.7 | Low | 67.2 | Low | 27 Ų | 27 | 63.1 Ų | 63.1 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 178.1 | -74.7 | 169.5 | 0 | 0 | 0 | 112.7 | V1711 R1712 T1719 I1743 L1747 | V1711-L1715 HydrophobicContact CG1-CD1 3.73Å; V1711-L1715 HydrophobicContact CG1-CG 4.35Å; V1711-L1715 WeakPolarHBondContact O-CB 3.31Å; V1711-L1715 VanDerWaalsContact O-CG 3.25Å; V1711-L1715 WeakPolarHBondContact O-CG 3.31Å; V1711-L1715 PolarHBondContact O-N 2.91Å; R1712-L1715 PolarHBondContact O-N 3.36Å; L1715-T1719 PolarHBondContact O-N 3.23Å; L1715-I1743 HydrophobicContact CD1-CG2 3.82Å; L1715-I1743 HydrophobicContact CD2-CG2 4.26Å; L1715-L1747 HydrophobicContact CD1-CD1 3.56Å |
| 1716 | E | 65.9 | Low | 65.5 | Low | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.9 | -36.1 | 177.8 | -73.3 | -159.1 | -128.3 | 0 | 0 | 112.8 | R1712 F1713 L1718 T1719 M1720 F1760 L1764 | R1712-E1716 IonicContact CZ-OE1 3.7Å; R1712-E1716 IonicContact NE-OE1 2.67Å; R1712-E1716 PolarHBondContact NE-OE1 2.99Å; R1712-E1716 IonicContact NH2-OE1 3.07Å; R1712-E1716 PolarHBondContact NH2-OE1 3.32Å; R1712-E1716 PolarHBondContact O-N 3.03Å; F1713-E1716 PolarHBondContact O-N 3.07Å; E1716-L1718 VanDerWaalsContact C-N 3.33Å; E1716-L1718 PolarHBondContact O-N 3.46Å; E1716-T1719 WeakPolarHBondContact CA-OG1 3.17Å; E1716-T1719 CarbonylContact O-C 3.58Å; E1716-T1719 WeakPolarHBondContact O-CA 3.41Å; E1716-T1719 PolarHBondContact O-N 3.4Å; E1716-T1719 PolarHBondContact O-OG1 2.89Å; E1716-M1720 PolarHBondContact O-N 3.32Å; E1716-F1760 HydrophobicContact CB-CD1 4.18Å; E1716-F1760 HydrophobicContact CB-CE1 3.61Å; E1716-F1760 HydrophobicContact CG-CD1 4.29Å; E1716-F1760 HydrophobicContact CG-CE1 4.2Å; E1716-F1760 WeakPolarHBondContact OE1-CD1 3.14Å; E1716-L1764 WeakPolarHBondContact OE2-CD1 3.25Å |
| 1717 | I | 65.6 | Low | 64.1 | Low | 66 Ų | 66 | 72.1 Ų | 72.1 | 34% | 0.338 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.6 | -47.7 | 171.4 | -73.6 | 168.3 | 0 | 0 | 0 | 110.8 | F1713 F1714 T1719 M1720 D1721 | F1713-I1717 HydrophobicContact CD1-CD1 3.73Å; F1713-I1717 HydrophobicContact CD2-CD1 4.35Å; F1713-I1717 HydrophobicContact CE1-CD1 3.39Å; F1713-I1717 HydrophobicContact CE2-CD1 4.05Å; F1713-I1717 HydrophobicContact CG-CD1 4.2Å; F1713-I1717 HydrophobicContact CZ-CD1 3.57Å; F1713-I1717 WeakPolarHBondContact O-CG1 3.24Å; F1713-I1717 PolarHBondContact O-N 3.48Å; F1714-I1717 PolarHBondContact O-N 2.87Å; I1717-T1719 PolarHBondContact O-N 3.31Å; I1717-T1719 VanDerWaalsContact O-N 3.11Å; I1717-M1720 PolarHBondContact O-N 3.24Å; I1717-D1721 PolarHBondContact O-N 3.04Å |
| 1718 | L | 63.5 | Low | 62.3 | Low | 87 Ų | 87 | 71.5 Ų | 71.5 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -22.1 | 175.7 | -69.3 | 173.2 | 0 | 0 | 0 | 113.6 | F1714 E1716 | F1714-L1718 HydrophobicContact CD1-CD1 3.98Å; F1714-L1718 HydrophobicContact CE1-CD1 3.57Å; F1714-L1718 HydrophobicContact CE1-CG 4.48Å; F1714-L1718 HydrophobicContact CZ-CD1 3.94Å; F1714-L1718 HydrophobicContact CZ-CG 4.5Å; F1714-L1718 WeakPolarHBondContact O-CG 3.33Å; F1714-L1718 PolarHBondContact O-N 3.02Å; E1716-L1718 VanDerWaalsContact C-N 3.33Å; E1716-L1718 PolarHBondContact O-N 3.46Å |
| 1719 | T | 61.1 | Low | 60.5 | Low | 50 Ų | 50 | 74.4 Ų | 74.4 | 31% | 0.307 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -88.5 | -22.1 | 172.2 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | L1715 E1716 I1717 S1722 L1723 | L1715-T1719 PolarHBondContact O-N 3.23Å; E1716-T1719 WeakPolarHBondContact CA-OG1 3.17Å; E1716-T1719 CarbonylContact O-C 3.58Å; E1716-T1719 WeakPolarHBondContact O-CA 3.41Å; E1716-T1719 PolarHBondContact O-N 3.4Å; E1716-T1719 PolarHBondContact O-OG1 2.89Å; I1717-T1719 PolarHBondContact O-N 3.31Å; I1717-T1719 VanDerWaalsContact O-N 3.11Å; T1719-S1722 PolarHBondContact O-OG 3.08Å; T1719-L1723 WeakPolarHBondContact O-CG 3.16Å; T1719-L1723 PolarHBondContact O-N 3.32Å |
| 1720 | M | 58.6 | Low | 58.7 | Low | 40 Ų | 40 | 80.3 Ų | 80.3 | 20% | 0.197 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.1 | -41.7 | 170.4 | -64.2 | -59.6 | -177.1 | 0 | 0 | 110.8 | E1716 I1717 S1722 L1723 N1724 L1764 F1768 Y1775 | E1716-M1720 PolarHBondContact O-N 3.32Å; I1717-M1720 PolarHBondContact O-N 3.24Å; M1720-S1722 VanDerWaalsContact C-N 3.28Å; M1720-S1722 PolarHBondContact O-N 2.94Å; M1720-L1723 PolarHBondContact O-N 3.29Å; M1720-L1723 HydrophobicContact SD-CD1 4.2Å; M1720-N1724 PolarHBondContact O-N 3.39Å; M1720-L1764 HydrophobicContact CE-CD1 3.46Å; M1720-L1764 VanDerWaalsContact CE-CD1 3.46Å; M1720-L1764 HydrophobicContact CE-CD2 3.93Å; M1720-L1764 HydrophobicContact CE-CG 4.3Å; M1720-F1768 HydrophobicContact CE-CE2 3.83Å; M1720-F1768 HydrophobicContact CE-CZ 4.09Å; M1720-F1768 HydrophobicContact SD-CE2 4.44Å; M1720-F1768 HydrophobicContact SD-CZ 4.11Å; M1720-Y1775 HydrophobicContact CE-CE2 4.19Å |
| 1721 | D | 57 | Low | 56.9 | Low | 91 Ų | 91 | 80.2 Ų | 80.2 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.2 | -37.9 | 175.6 | -70.8 | -27 | 0 | 0 | 0 | 111.7 | I1717 Y1725 | I1717-D1721 PolarHBondContact O-N 3.04Å; D1721-Y1725 WeakPolarHBondContact O-CD2 3.43Å |
| 1722 | S | 54.7 | Low | 55.1 | Low | 51 Ų | 51 | 81.9 Ų | 81.9 | 36% | 0.357 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76 | -29.8 | 177.8 | 67.1 | 0 | 0 | 0 | 0 | 114 | T1719 M1720 N1724 Y1725 Q1726 | T1719-S1722 PolarHBondContact O-OG 3.08Å; M1720-S1722 VanDerWaalsContact C-N 3.28Å; M1720-S1722 PolarHBondContact O-N 2.94Å; S1722-N1724 VanDerWaalsContact C-N 3.33Å; S1722-N1724 PolarHBondContact O-N 2.98Å; S1722-Y1725 PolarHBondContact O-N 3.21Å; S1722-Q1726 WeakPolarHBondContact O-CG 3.33Å; S1722-Q1726 PolarHBondContact O-N 3.47Å |
| 1723 | L | 49.4 | Very low | 53.5 | Low | 77 Ų | 77 | 83.2 Ų | 83.2 | 40% | 0.403 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 172.1 | -79 | 165.4 | 0 | 0 | 0 | 111.8 | T1719 M1720 Y1725 Q1726 | T1719-L1723 WeakPolarHBondContact O-CG 3.16Å; T1719-L1723 PolarHBondContact O-N 3.32Å; M1720-L1723 PolarHBondContact O-N 3.29Å; M1720-L1723 HydrophobicContact SD-CD1 4.2Å; L1723-Y1725 PolarHBondContact O-N 3.24Å; L1723-Q1726 PolarHBondContact O-N 3.08Å; L1723-Q1726 VanDerWaalsContact O-N 3.09Å |
| 1724 | N | 48.5 | Very low | 52.4 | Low | 117 Ų | 117 | 85.4 Ų | 85.4 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.7 | -16 | 175.8 | -74.3 | -31 | 0 | 0 | 0 | 114.1 | M1720 S1722 | M1720-N1724 PolarHBondContact O-N 3.39Å; S1722-N1724 VanDerWaalsContact C-N 3.33Å; S1722-N1724 PolarHBondContact O-N 2.98Å |
| 1725 | Y | 49.7 | Very low | 51.3 | Low | 182 Ų | 182 | 83.9 Ų | 83.9 | 71% | 0.714 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -96.7 | -16.5 | 172.9 | -87.5 | -85.3 | 0 | 0 | 0 | 113.7 | D1721 S1722 L1723 T1727 S1728 | D1721-Y1725 WeakPolarHBondContact O-CD2 3.43Å; S1722-Y1725 PolarHBondContact O-N 3.21Å; L1723-Y1725 PolarHBondContact O-N 3.24Å; Y1725-T1727 VanDerWaalsContact C-N 3.34Å; Y1725-T1727 PolarHBondContact O-N 3.27Å; Y1725-S1728 PolarHBondContact O-OG 3.38Å |
| 1726 | Q | 45.5 | Very low | 50.3 | Low | 102 Ų | 102 | 87.2 Ų | 87.2 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -77.1 | -16.9 | -174.8 | -81.4 | -179.8 | -10.7 | 0 | 0 | 114.1 | S1722 L1723 S1728 | S1722-Q1726 WeakPolarHBondContact O-CG 3.33Å; S1722-Q1726 PolarHBondContact O-N 3.47Å; L1723-Q1726 PolarHBondContact O-N 3.08Å; L1723-Q1726 VanDerWaalsContact O-N 3.09Å; Q1726-S1728 PolarHBondContact O-N 3.46Å |
| 1727 | T | 47.7 | Very low | 49.6 | Very low | 131 Ų | 131 | 88.9 Ų | 88.9 | 80% | 0.804 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 0.7 | -179.1 | 49.4 | 0 | 0 | 0 | 0 | 114.8 | Y1725 | Y1725-T1727 VanDerWaalsContact C-N 3.34Å; Y1725-T1727 PolarHBondContact O-N 3.27Å |
| 1728 | S | 44.7 | Very low | 49 | Very low | 93 Ų | 93 | 88.8 Ų | 88.8 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | -3.9 | -172.6 | 51.4 | 0 | 0 | 0 | 0 | 117 | Y1725 Q1726 | Y1725-S1728 PolarHBondContact O-OG 3.38Å; Q1726-S1728 PolarHBondContact O-N 3.46Å |
| 1729 | S | 41.5 | Very low | 48.7 | Very low | 75 Ų | 75 | 88.6 Ų | 88.6 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | trans | -155.8 | 93.7 | -179.1 | 46.7 | 0 | 0 | 0 | 0 | 114.6 | S1731 | S1729-S1731 PolarHBondContact O-N 3.33Š| ||
| 1730 | S | 37.8 | Very low | 48.7 | Very low | 127 Ų | 127 | 87.9 Ų | 87.9 | 89% | 0.888 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 87 | 178.7 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1731 | S | 38.7 | Very low | 48.9 | Very low | 115 Ų | 115 | 91.4 Ų | 91.4 | 80% | 0.804 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.1 | -29.2 | 161.3 | 52.4 | 0 | 0 | 0 | 0 | 117.8 | S1729 | S1729-S1731 PolarHBondContact O-N 3.33Š|
| 1732 | S | 40.5 | Very low | 49.4 | Very low | 90 Ų | 90 | 94.3 Ų | 94.3 | 63% | 0.629 | 56% | 0.56 | S | S | * | * | trans | -116 | 16.1 | -154.2 | 55.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1733 | A | 42.1 | Very low | 50.1 | Low | 49 Ų | 49 | 95.8 Ų | 95.8 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | trans | -96.5 | 15.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | T1737 | A1733-T1737 WeakPolarHBondContact O-CG2 3.38Å; A1733-T1737 PolarHBondContact O-OG1 3.29Å | ||
| 1734 | S | 46.5 | Very low | 51.1 | Low | 98 Ų | 98 | 93.8 Ų | 93.8 | 69% | 0.685 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -15.6 | -171.3 | 55.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1735 | S | 49.7 | Very low | 52.3 | Low | 80 Ų | 80 | 93.5 Ų | 93.5 | 56% | 0.559 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -37.3 | -172.7 | 57 | 0 | 0 | 0 | 0 | 114.2 | T1738 | S1735-T1738 PolarHBondContact O-OG1 3Š|
| 1736 | T | 47.3 | Very low | 53.6 | Low | 97 Ų | 97 | 93.8 Ų | 93.8 | 60% | 0.595 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -84.5 | -19.4 | -176.9 | 52.3 | 0 | 0 | 0 | 0 | 114 | T1738 T1739 S1740 | T1736-T1738 VanDerWaalsContact C-N 3.34Å; T1736-T1739 PolarHBondContact O-OG1 3.02Å; T1736-S1740 PolarHBondContact O-OG 2.94Å |
| 1737 | T | 51.8 | Low | 55 | Low | 49 Ų | 49 | 91 Ų | 91 | 30% | 0.301 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.2 | -30 | 173.7 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | A1733 S1740 Q1741 | A1733-T1737 WeakPolarHBondContact O-CG2 3.38Å; A1733-T1737 PolarHBondContact O-OG1 3.29Å; T1737-S1740 PolarHBondContact O-OG 2.72Å; T1737-S1740 VanDerWaalsContact O-OG 3.12Å; T1737-Q1741 WeakPolarHBondContact O-CB 3.42Å; T1737-Q1741 VanDerWaalsContact O-CD 3.32Å; T1737-Q1741 WeakPolarHBondContact O-CG 3.32Å; T1737-Q1741 PolarHBondContact O-N 3.44Å |
| 1738 | T | 53.1 | Low | 56.6 | Low | 63 Ų | 63 | 86.7 Ų | 86.7 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.7 | -43.6 | -178.8 | 65 | 0 | 0 | 0 | 0 | 112.8 | S1735 T1736 Q1741 F1742 | S1735-T1738 PolarHBondContact O-OG1 3Å; T1736-T1738 VanDerWaalsContact C-N 3.34Å; T1738-Q1741 PolarHBondContact O-N 3.11Å; T1738-F1742 WeakPolarHBondContact O-CD2 3.45Å; T1738-F1742 PolarHBondContact O-N 3.02Å |
| 1739 | T | 57 | Low | 58.1 | Low | 83 Ų | 83 | 87.1 Ų | 87.1 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | -176.7 | 56.1 | 0 | 0 | 0 | 0 | 112 | T1736 F1742 I1743 | T1736-T1739 PolarHBondContact O-OG1 3.02Å; T1739-F1742 PolarHBondContact O-N 3.27Å; T1739-I1743 VanDerWaalsContact O-CG1 3.31Å; T1739-I1743 WeakPolarHBondContact O-CG1 3.42Å; T1739-I1743 PolarHBondContact O-N 2.98Å |
| 1740 | S | 59.8 | Low | 60 | Low | 35 Ų | 35 | 84.9 Ų | 84.9 | 25% | 0.245 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 174.2 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | T1736 T1737 N1744 | T1736-S1740 PolarHBondContact O-OG 2.94Å; T1737-S1740 PolarHBondContact O-OG 2.72Å; T1737-S1740 VanDerWaalsContact O-OG 3.12Å; S1740-N1744 WeakPolarHBondContact O-CB 3.3Å; S1740-N1744 PolarHBondContact O-N 3.34Å; S1740-N1744 PolarHBondContact O-ND2 3.36Å |
| 1741 | Q | 64 | Low | 62.3 | Low | 115 Ų | 115 | 79 Ų | 79 | 54% | 0.537 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 172.4 | -73.9 | 170.6 | 16.4 | 0 | 0 | 112.5 | T1737 T1738 I1743 N1744 I1745 | T1737-Q1741 WeakPolarHBondContact O-CB 3.42Å; T1737-Q1741 VanDerWaalsContact O-CD 3.32Å; T1737-Q1741 WeakPolarHBondContact O-CG 3.32Å; T1737-Q1741 PolarHBondContact O-N 3.44Å; T1738-Q1741 PolarHBondContact O-N 3.11Å; Q1741-I1743 PolarHBondContact O-N 2.9Å; Q1741-N1744 PolarHBondContact O-N 3.28Å; Q1741-I1745 WeakPolarHBondContact O-CD1 3.37Å; Q1741-I1745 VanDerWaalsContact O-CG1 3.26Å; Q1741-I1745 WeakPolarHBondContact O-CG1 3.41Å; Q1741-I1745 PolarHBondContact O-N 3.35Å |
| 1742 | F | 67.9 | Low | 64.6 | Low | 152 Ų | 152 | 73.6 Ų | 73.6 | 67% | 0.667 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.8 | -44.6 | 175.9 | -95.7 | -75.1 | 0 | 0 | 0 | 112.4 | T1738 T1739 I1745 W1746 | T1738-F1742 WeakPolarHBondContact O-CD2 3.45Å; T1738-F1742 PolarHBondContact O-N 3.02Å; T1739-F1742 PolarHBondContact O-N 3.27Å; F1742-I1745 PolarHBondContact O-N 3.22Å; F1742-W1746 PolarHBondContact O-N 3.45Å |
| 1743 | I | 69.7 | Low | 66.7 | Low | 81 Ų | 81 | 69.3 Ų | 69.3 | 42% | 0.415 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.8 | -69.8 | 164.7 | 0 | 0 | 0 | 110.6 | L1715 T1739 Q1741 I1745 W1746 L1747 | L1715-I1743 HydrophobicContact CD1-CG2 3.82Å; L1715-I1743 HydrophobicContact CD2-CG2 4.26Å; T1739-I1743 VanDerWaalsContact O-CG1 3.31Å; T1739-I1743 WeakPolarHBondContact O-CG1 3.42Å; T1739-I1743 PolarHBondContact O-N 2.98Å; Q1741-I1743 PolarHBondContact O-N 2.9Å; I1743-I1745 VanDerWaalsContact C-N 3.34Å; I1743-I1745 PolarHBondContact O-N 2.83Å; I1743-W1746 PolarHBondContact O-N 3.39Å; I1743-L1747 HydrophobicContact CG2-CD1 3.68Å; I1743-L1747 HydrophobicContact CG2-CG 4.32Å; I1743-L1747 WeakPolarHBondContact O-CB 3.49Å; I1743-L1747 WeakPolarHBondContact O-CG 3.48Å; I1743-L1747 PolarHBondContact O-N 2.89Å |
| 1744 | N | 69.9 | Low | 68.8 | Low | 35 Ų | 35 | 67 Ų | 67 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 178.1 | -71.2 | -21.6 | 0 | 0 | 0 | 112.8 | S1740 Q1741 R1748 Y1753 | S1740-N1744 WeakPolarHBondContact O-CB 3.3Å; S1740-N1744 PolarHBondContact O-N 3.34Å; S1740-N1744 PolarHBondContact O-ND2 3.36Å; Q1741-N1744 PolarHBondContact O-N 3.28Å; N1744-R1748 VanDerWaalsContact O-CG 3.26Å; N1744-R1748 WeakPolarHBondContact O-CG 3.38Å; N1744-R1748 PolarHBondContact O-N 2.88Å; N1744-Y1753 PolarHBondContact OD1-OH 2.79Å |
| 1745 | I | 73.2 | Confident | 70.8 | Confident | 111 Ų | 111 | 62.3 Ų | 62.3 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 173.9 | -71 | 162.8 | 0 | 0 | 0 | 110.9 | Q1741 F1742 I1743 | Q1741-I1745 WeakPolarHBondContact O-CD1 3.37Å; Q1741-I1745 VanDerWaalsContact O-CG1 3.26Å; Q1741-I1745 WeakPolarHBondContact O-CG1 3.41Å; Q1741-I1745 PolarHBondContact O-N 3.35Å; F1742-I1745 PolarHBondContact O-N 3.22Å; I1743-I1745 VanDerWaalsContact C-N 3.34Å; I1743-I1745 PolarHBondContact O-N 2.83Å |
| 1746 | W | 76.6 | Confident | 72.3 | Confident | 189 Ų | 189 | 58.7 Ų | 58.7 | 72% | 0.716 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -72.8 | -39 | -178.5 | -150 | 85.9 | 0 | 0 | 0 | 112.6 | F1742 I1743 R1748 I1749 | F1742-W1746 PolarHBondContact O-N 3.45Å; I1743-W1746 PolarHBondContact O-N 3.39Å; W1746-R1748 VanDerWaalsContact C-N 3.31Å; W1746-R1748 PolarHBondContact O-N 2.83Å; W1746-I1749 HydrophobicContact CD2-CD1 4.33Å; W1746-I1749 HydrophobicContact CG-CD1 4.27Å; W1746-I1749 VanDerWaalsContact O-CB 3.32Å; W1746-I1749 WeakPolarHBondContact O-CB 3.28Å; W1746-I1749 WeakPolarHBondContact O-CD1 3.36Å; W1746-I1749 WeakPolarHBondContact O-CG1 3.43Å; W1746-I1749 PolarHBondContact O-N 3.31Å |
| 1747 | L | 75.6 | Confident | 73.8 | Confident | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.8 | -27.8 | 178 | -69 | 171.7 | 0 | 0 | 0 | 113.3 | V1711 L1715 I1743 I1749 S1750 Y1753 | V1711-L1747 HydrophobicContact CG1-CD1 3.55Å; L1715-L1747 HydrophobicContact CD1-CD1 3.56Å; I1743-L1747 HydrophobicContact CG2-CD1 3.68Å; I1743-L1747 HydrophobicContact CG2-CG 4.32Å; I1743-L1747 WeakPolarHBondContact O-CB 3.49Å; I1743-L1747 WeakPolarHBondContact O-CG 3.48Å; I1743-L1747 PolarHBondContact O-N 2.89Å; L1747-I1749 PolarHBondContact O-N 3.47Å; L1747-I1749 VanDerWaalsContact O-N 3.1Å; L1747-S1750 PolarHBondContact O-N 3.05Å; L1747-S1750 PolarHBondContact O-OG 3.41Å; L1747-Y1753 HydrophobicContact CB-CD1 4Å; L1747-Y1753 HydrophobicContact CB-CD2 3.74Å; L1747-Y1753 HydrophobicContact CB-CE1 3.98Å; L1747-Y1753 HydrophobicContact CB-CE2 3.7Å; L1747-Y1753 HydrophobicContact CB-CG 3.89Å; L1747-Y1753 HydrophobicContact CD1-CD2 4.23Å; L1747-Y1753 HydrophobicContact CD1-CE2 3.65Å; L1747-Y1753 HydrophobicContact CG-CE2 4.31Å; L1747-Y1753 WeakPolarHBondContact O-CB 3.4Å |
| 1748 | R | 81.1 | Confident | 75.3 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -10.8 | 172.5 | -83.4 | 175.5 | 163.8 | 149.5 | -2.8 | 114.7 | N1744 W1746 S1750 Y1753 D1788 H1795 | N1744-R1748 VanDerWaalsContact O-CG 3.26Å; N1744-R1748 WeakPolarHBondContact O-CG 3.38Å; N1744-R1748 PolarHBondContact O-N 2.88Å; W1746-R1748 VanDerWaalsContact C-N 3.31Å; W1746-R1748 PolarHBondContact O-N 2.83Å; R1748-S1750 PolarHBondContact O-N 2.82Å; R1748-Y1753 HydrophobicContact CG-CD1 3.92Å; R1748-Y1753 HydrophobicContact CG-CE1 3.9Å; R1748-D1788 IonicContact CZ-OD1 2.74Å; R1748-D1788 IonicContact CZ-OD2 2.77Å; R1748-D1788 IonicContact NE-OD1 2.61Å; R1748-D1788 PolarHBondContact NE-OD1 3.32Å; R1748-D1788 IonicContact NE-OD2 3.99Å; R1748-D1788 VanDerWaalsContact NH2-CG 3.29Å; R1748-D1788 IonicContact NH2-OD1 3.6Å; R1748-D1788 PolarHBondContact NH2-OD1 3.1Å; R1748-D1788 VanDerWaalsContact NH2-OD1 3.15Å; R1748-D1788 IonicContact NH2-OD2 3.41Å; R1748-D1788 PolarHBondContact NH2-OD2 3.09Å; R1748-H1795 PolarHBondContact O-CE1 3.38Å |
| 1749 | I | 76.4 | Confident | 76.7 | Confident | 103 Ų | 103 | 48.7 Ų | 48.7 | 53% | 0.528 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.3 | 168.5 | -62.5 | 170.8 | 0 | 0 | 0 | 111.5 | W1746 L1747 H1795 | W1746-I1749 HydrophobicContact CD2-CD1 4.33Å; W1746-I1749 HydrophobicContact CG-CD1 4.27Å; W1746-I1749 VanDerWaalsContact O-CB 3.32Å; W1746-I1749 WeakPolarHBondContact O-CB 3.28Å; W1746-I1749 WeakPolarHBondContact O-CD1 3.36Å; W1746-I1749 WeakPolarHBondContact O-CG1 3.43Å; W1746-I1749 PolarHBondContact O-N 3.31Å; L1747-I1749 PolarHBondContact O-N 3.47Å; L1747-I1749 VanDerWaalsContact O-N 3.1Å; I1749-H1795 PolarHBondContact O-NE2 3.01Å |
| 1750 | S | 80.9 | Confident | 77.7 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -96.8 | 121.4 | 176.1 | 67.5 | 0 | 0 | 0 | 0 | 112 | L1747 R1748 H1752 Y1753 C1754 | L1747-S1750 PolarHBondContact O-N 3.05Å; L1747-S1750 PolarHBondContact O-OG 3.41Å; R1748-S1750 PolarHBondContact O-N 2.82Å; S1750-H1752 PolarHBondContact O-N 3.02Å; S1750-Y1753 PolarHBondContact O-N 2.9Å; S1750-Y1753 WeakPolarHBondContact OG-CB 3.42Å; S1750-C1754 PolarHBondContact O-N 3.32Å |
| 1751 | P | 86.2 | Confident | 78.5 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -29.8 | 177.5 | -27.2 | 35.5 | 0 | 0 | 0 | 113.7 | Y1672 A1675 M1676 Y1753 C1754 L1755 L1792 | Y1672-P1751 HydrophobicContact CD2-CB 4.08Å; Y1672-P1751 HydrophobicContact CE2-CB 4.26Å; A1675-P1751 HydrophobicContact CB-CB 4.11Å; A1675-P1751 HydrophobicContact CB-CG 4.1Å; M1676-P1751 HydrophobicContact CG-CB 4.38Å; M1676-P1751 HydrophobicContact SD-CB 3.83Å; M1676-P1751 HydrophobicContact SD-CG 4.1Å; P1751-Y1753 VanDerWaalsContact C-N 3.33Å; P1751-Y1753 PolarHBondContact O-N 2.86Å; P1751-C1754 PolarHBondContact O-N 3.49Å; P1751-L1755 PolarHBondContact O-N 3.44Å; P1751-L1792 HydrophobicContact CB-CD2 3.79Å |
| 1752 | H | 86.7 | Confident | 79.3 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 173.8 | -72.3 | -90.5 | 0 | 0 | 0 | 112.9 | Y1672 M1676 N1701 I1704 T1708 S1750 L1755 S1756 | Y1672-H1752 PolarHBondContact OH-CE1 2.84Å; Y1672-H1752 PolarHBondContact OH-ND1 3.47Å; M1676-H1752 VanDerWaalsContact CE-NE2 3.29Å; M1676-H1752 WeakPolarHBondContact CE-NE2 3.27Å; N1701-H1752 PolarHBondContact O-CE1 2.89Å; I1704-H1752 HydrophobicContact CG2-CB 4.07Å; T1708-H1752 HydrophobicContact CG2-CB 4.36Å; T1708-H1752 WeakPolarHBondContact OG1-CB 3.46Å; S1750-H1752 PolarHBondContact O-N 3.02Å; H1752-L1755 PolarHBondContact O-N 3.1Å; H1752-S1756 WeakPolarHBondContact O-CB 3.4Å; H1752-S1756 PolarHBondContact O-N 3.4Å; H1752-S1756 PolarHBondContact O-OG 3.04Å |
| 1753 | Y | 85.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.5 | -37.3 | 178.5 | 178.6 | -86.9 | 0 | 0 | 0 | 112.3 | R1712 N1744 L1747 R1748 S1750 P1751 L1755 S1756 G1757 | R1712-Y1753 HydrophobicContact CB-CD2 4.17Å; R1712-Y1753 HydrophobicContact CB-CE2 3.9Å; R1712-Y1753 VanDerWaalsContact CD-CZ 3.41Å; R1712-Y1753 WeakPolarHBondContact CD-OH 3.34Å; R1712-Y1753 HydrophobicContact CG-CE2 4.31Å; R1712-Y1753 PolarHBondContact NH1-OH 2.98Å; N1744-Y1753 PolarHBondContact OD1-OH 2.79Å; L1747-Y1753 HydrophobicContact CB-CD1 4Å; L1747-Y1753 HydrophobicContact CB-CD2 3.74Å; L1747-Y1753 HydrophobicContact CB-CE1 3.98Å; L1747-Y1753 HydrophobicContact CB-CE2 3.7Å; L1747-Y1753 HydrophobicContact CB-CG 3.89Å; L1747-Y1753 HydrophobicContact CD1-CD2 4.23Å; L1747-Y1753 HydrophobicContact CD1-CE2 3.65Å; L1747-Y1753 HydrophobicContact CG-CE2 4.31Å; L1747-Y1753 WeakPolarHBondContact O-CB 3.4Å; R1748-Y1753 HydrophobicContact CG-CD1 3.92Å; R1748-Y1753 HydrophobicContact CG-CE1 3.9Å; S1750-Y1753 PolarHBondContact O-N 2.9Å; S1750-Y1753 WeakPolarHBondContact OG-CB 3.42Å; P1751-Y1753 VanDerWaalsContact C-N 3.33Å; P1751-Y1753 PolarHBondContact O-N 2.86Å; Y1753-L1755 VanDerWaalsContact C-N 3.32Å; Y1753-S1756 WeakPolarHBondContact CA-OG 3.43Å; Y1753-S1756 PolarHBondContact O-N 2.66Å; Y1753-S1756 PolarHBondContact O-OG 3.48Å; Y1753-G1757 PolarHBondContact O-N 3.34Å |
| 1754 | C | 86.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 171.7 | -71.2 | 0 | 0 | 0 | 0 | 111.8 | S1750 P1751 S1758 D1788 L1792 | S1750-C1754 PolarHBondContact O-N 3.32Å; P1751-C1754 PolarHBondContact O-N 3.49Å; C1754-S1758 WeakPolarHBondContact O-CB 3.38Å; C1754-S1758 PolarHBondContact O-N 3.41Å; C1754-S1758 PolarHBondContact O-OG 2.9Å; C1754-D1788 HydrophobicContact CB-CB 4.15Å; C1754-L1792 HydrophobicContact CB-CD1 4.24Å; C1754-L1792 HydrophobicContact CB-CD2 3.85Å; C1754-L1792 HydrophobicContact CB-CG 3.79Å |
| 1755 | L | 87.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.8 | -45.6 | 175.8 | -170.8 | 69.1 | 0 | 0 | 0 | 112 | I1589 L1592 Y1672 P1751 H1752 Y1753 S1758 F1759 | I1589-L1755 HydrophobicContact CG1-CD2 4.02Å; I1589-L1755 HydrophobicContact CG1-CG 4.37Å; I1589-L1755 HydrophobicContact CG2-CD2 4.21Å; L1592-L1755 HydrophobicContact CD1-CD2 4.34Å; Y1672-L1755 HydrophobicContact CD1-CD2 3.78Å; Y1672-L1755 HydrophobicContact CD2-CB 3.85Å; Y1672-L1755 HydrophobicContact CD2-CD2 3.75Å; Y1672-L1755 HydrophobicContact CD2-CG 4.25Å; Y1672-L1755 HydrophobicContact CE1-CD2 3.85Å; Y1672-L1755 HydrophobicContact CE2-CB 4.26Å; Y1672-L1755 HydrophobicContact CE2-CD2 3.82Å; Y1672-L1755 HydrophobicContact CG-CB 4.34Å; Y1672-L1755 HydrophobicContact CG-CD1 4.16Å; Y1672-L1755 HydrophobicContact CG-CD2 3.72Å; Y1672-L1755 HydrophobicContact CG-CG 4.3Å; P1751-L1755 PolarHBondContact O-N 3.44Å; H1752-L1755 PolarHBondContact O-N 3.1Å; Y1753-L1755 VanDerWaalsContact C-N 3.32Å; L1755-S1758 WeakPolarHBondContact O-CB 3.43Å; L1755-S1758 PolarHBondContact O-N 3.43Å; L1755-S1758 VanDerWaalsContact O-N 3.16Å; L1755-F1759 HydrophobicContact CD1-CE1 4.02Å; L1755-F1759 HydrophobicContact CD1-CE2 3.66Å; L1755-F1759 HydrophobicContact CD1-CZ 3.38Å; L1755-F1759 HydrophobicContact CD2-CE2 3.86Å; L1755-F1759 HydrophobicContact CD2-CZ 4.27Å; L1755-F1759 HydrophobicContact CG-CD2 4.16Å; L1755-F1759 HydrophobicContact CG-CE2 3.49Å; L1755-F1759 VanDerWaalsContact CG-CE2 3.49Å; L1755-F1759 HydrophobicContact CG-CZ 3.8Å; L1755-F1759 PolarHBondContact O-N 2.77Å |
| 1756 | S | 82.2 | Confident | 79.8 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 178.9 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | T1708 H1752 Y1753 S1758 F1759 F1760 | T1708-S1756 PolarHBondContact O-OG 3.34Å; H1752-S1756 WeakPolarHBondContact O-CB 3.4Å; H1752-S1756 PolarHBondContact O-N 3.4Å; H1752-S1756 PolarHBondContact O-OG 3.04Å; Y1753-S1756 WeakPolarHBondContact CA-OG 3.43Å; Y1753-S1756 PolarHBondContact O-N 2.66Å; Y1753-S1756 PolarHBondContact O-OG 3.48Å; S1756-S1758 VanDerWaalsContact C-N 3.3Å; S1756-S1758 PolarHBondContact O-N 3.28Å; S1756-F1759 PolarHBondContact O-N 3.41Å; S1756-F1760 VanDerWaalsContact O-CB 3.26Å; S1756-F1760 WeakPolarHBondContact O-CB 3.31Å; S1756-F1760 PolarHBondContact O-N 2.74Å |
| 1757 | G | 77.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.3 | -36.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1753 T1761 | Y1753-G1757 PolarHBondContact O-N 3.34Å; G1757-T1761 WeakPolarHBondContact O-CB 3.29Å; G1757-T1761 WeakPolarHBondContact O-CG2 3.49Å; G1757-T1761 PolarHBondContact O-N 3.05Å; G1757-T1761 PolarHBondContact O-OG1 2.61Å |
| 1758 | S | 83.6 | Confident | 79 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.2 | -46.7 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | C1754 L1755 S1756 T1761 I1762 | C1754-S1758 WeakPolarHBondContact O-CB 3.38Å; C1754-S1758 PolarHBondContact O-N 3.41Å; C1754-S1758 PolarHBondContact O-OG 2.9Å; L1755-S1758 WeakPolarHBondContact O-CB 3.43Å; L1755-S1758 PolarHBondContact O-N 3.43Å; L1755-S1758 VanDerWaalsContact O-N 3.16Å; S1756-S1758 VanDerWaalsContact C-N 3.3Å; S1756-S1758 PolarHBondContact O-N 3.28Å; S1758-T1761 PolarHBondContact O-OG1 2.83Å; S1758-I1762 WeakPolarHBondContact O-CD1 3.11Å; S1758-I1762 VanDerWaalsContact O-CG1 3.28Å; S1758-I1762 WeakPolarHBondContact O-CG1 3.2Å; S1758-I1762 PolarHBondContact O-N 3.4Å |
| 1759 | F | 83.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -72.8 | -36.6 | 178.6 | -58.7 | -32.4 | 0 | 0 | 0 | 112.7 | L1588 I1589 Y1656 F1665 I1669 L1755 S1756 I1762 A1763 | L1588-F1759 HydrophobicContact CD2-CD2 4.32Å; L1588-F1759 HydrophobicContact CD2-CE2 3.43Å; L1588-F1759 VanDerWaalsContact CD2-CE2 3.43Å; L1588-F1759 HydrophobicContact CD2-CZ 3.63Å; I1589-F1759 HydrophobicContact CD1-CD2 3.91Å; I1589-F1759 HydrophobicContact CD1-CE2 4.37Å; I1589-F1759 HydrophobicContact CG1-CD2 3.68Å; I1589-F1759 HydrophobicContact CG1-CE2 3.66Å; Y1656-F1759 HydrophobicContact CE1-CB 4.41Å; Y1656-F1759 HydrophobicContact CE1-CD1 4.45Å; F1665-F1759 AromaticContact CD2-CD1 3.77Å; F1665-F1759 HydrophobicContact CD2-CD1 3.77Å; F1665-F1759 AromaticContact CD2-CE1 3.53Å; F1665-F1759 HydrophobicContact CD2-CE1 3.53Å; F1665-F1759 AromaticContact CE2-CD1 3.75Å; F1665-F1759 HydrophobicContact CE2-CD1 3.75Å; F1665-F1759 AromaticContact CE2-CE1 3.41Å; F1665-F1759 HydrophobicContact CE2-CE1 3.41Å; F1665-F1759 VanDerWaalsContact CE2-CE1 3.41Å; F1665-F1759 HydrophobicContact CE2-CZ 4.14Å; I1669-F1759 HydrophobicContact CD1-CE1 4.31Å; I1669-F1759 HydrophobicContact CD1-CZ 4.16Å; I1669-F1759 HydrophobicContact CG1-CE1 4.02Å; I1669-F1759 HydrophobicContact CG1-CZ 3.73Å; L1755-F1759 HydrophobicContact CD1-CE1 4.02Å; L1755-F1759 HydrophobicContact CD1-CE2 3.66Å; L1755-F1759 HydrophobicContact CD1-CZ 3.38Å; L1755-F1759 HydrophobicContact CD2-CE2 3.86Å; L1755-F1759 HydrophobicContact CD2-CZ 4.27Å; L1755-F1759 HydrophobicContact CG-CD2 4.16Å; L1755-F1759 HydrophobicContact CG-CE2 3.49Å; L1755-F1759 VanDerWaalsContact CG-CE2 3.49Å; L1755-F1759 HydrophobicContact CG-CZ 3.8Å; L1755-F1759 PolarHBondContact O-N 2.77Å; S1756-F1759 PolarHBondContact O-N 3.41Å; F1759-I1762 PolarHBondContact O-N 2.72Å; F1759-A1763 PolarHBondContact O-N 3.37Å |
| 1760 | F | 76.7 | Confident | 77.8 | Confident | 13 Ų | 13 | 18.7 Ų | 18.7 | 6% | 0.057 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.3 | -39 | 178.5 | -171.4 | -106.2 | 0 | 0 | 0 | 112.3 | Y1582 F1713 E1716 S1756 I1762 A1763 L1764 | Y1582-F1760 HydrophobicContact CD2-CD2 4.04Å; Y1582-F1760 HydrophobicContact CD2-CE2 4.4Å; F1713-F1760 HydrophobicContact CD2-CD2 4.31Å; F1713-F1760 AromaticContact CD2-CE2 3.56Å; F1713-F1760 HydrophobicContact CD2-CE2 3.56Å; F1713-F1760 AromaticContact CD2-CZ 3.94Å; F1713-F1760 HydrophobicContact CD2-CZ 3.94Å; F1713-F1760 HydrophobicContact CE2-CE2 4.08Å; F1713-F1760 HydrophobicContact CE2-CZ 4.47Å; E1716-F1760 HydrophobicContact CB-CD1 4.18Å; E1716-F1760 HydrophobicContact CB-CE1 3.61Å; E1716-F1760 HydrophobicContact CG-CD1 4.29Å; E1716-F1760 HydrophobicContact CG-CE1 4.2Å; E1716-F1760 WeakPolarHBondContact OE1-CD1 3.14Å; S1756-F1760 VanDerWaalsContact O-CB 3.26Å; S1756-F1760 WeakPolarHBondContact O-CB 3.31Å; S1756-F1760 PolarHBondContact O-N 2.74Å; F1760-I1762 VanDerWaalsContact C-N 3.32Å; F1760-I1762 PolarHBondContact O-N 2.7Å; F1760-A1763 PolarHBondContact O-N 3.22Å; F1760-L1764 HydrophobicContact CD1-CD1 3.81Å; F1760-L1764 HydrophobicContact CD1-CG 4.16Å; F1760-L1764 HydrophobicContact CE1-CD1 3.42Å; F1760-L1764 VanDerWaalsContact CE1-CD1 3.42Å; F1760-L1764 HydrophobicContact CE1-CD2 4.3Å; F1760-L1764 HydrophobicContact CE1-CG 3.79Å; F1760-L1764 HydrophobicContact CZ-CD1 4.11Å; F1760-L1764 HydrophobicContact CZ-CD2 4.15Å; F1760-L1764 HydrophobicContact CZ-CG 4.03Å; F1760-L1764 WeakPolarHBondContact O-CB 3.18Å; F1760-L1764 WeakPolarHBondContact O-CG 3.48Å; F1760-L1764 PolarHBondContact O-N 2.99Å |
| 1761 | T | 77.6 | Confident | 76.8 | Confident | 8 Ų | 8 | 19.3 Ų | 19.3 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.1 | -27.6 | 173.6 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | G1757 S1758 R1765 L1785 | G1757-T1761 WeakPolarHBondContact O-CB 3.29Å; G1757-T1761 WeakPolarHBondContact O-CG2 3.49Å; G1757-T1761 PolarHBondContact O-N 3.05Å; G1757-T1761 PolarHBondContact O-OG1 2.61Å; S1758-T1761 PolarHBondContact O-OG1 2.83Å; T1761-R1765 PolarHBondContact O-N 3.28Å; T1761-L1785 WeakPolarHBondContact OG1-CD2 3.44Å |
| 1762 | I | 79.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.5 | -48.4 | 169.1 | -71.7 | 166 | 0 | 0 | 0 | 110.9 | A1655 Y1656 T1661 F1665 S1758 F1759 F1760 L1764 R1765 D1766 L1781 L1785 | A1655-I1762 VanDerWaalsContact O-CG2 3.23Å; A1655-I1762 WeakPolarHBondContact O-CG2 3.45Å; Y1656-I1762 HydrophobicContact CD1-CG2 4.1Å; Y1656-I1762 HydrophobicContact CE1-CG2 4.29Å; T1661-I1762 HydrophobicContact CG2-CG2 4.47Å; F1665-I1762 HydrophobicContact CB-CD1 4.12Å; F1665-I1762 HydrophobicContact CD2-CD1 4.29Å; S1758-I1762 WeakPolarHBondContact O-CD1 3.11Å; S1758-I1762 VanDerWaalsContact O-CG1 3.28Å; S1758-I1762 WeakPolarHBondContact O-CG1 3.2Å; S1758-I1762 PolarHBondContact O-N 3.4Å; F1759-I1762 PolarHBondContact O-N 2.72Å; F1760-I1762 VanDerWaalsContact C-N 3.32Å; F1760-I1762 PolarHBondContact O-N 2.7Å; I1762-L1764 PolarHBondContact O-N 3.37Å; I1762-R1765 PolarHBondContact O-N 3.24Å; I1762-R1765 VanDerWaalsContact O-N 3.14Å; I1762-D1766 PolarHBondContact O-N 3.18Å; I1762-D1766 VanDerWaalsContact O-N 3.07Å; I1762-L1781 HydrophobicContact CD1-CD2 4.44Å; I1762-L1781 HydrophobicContact CG1-CD1 4.29Å; I1762-L1781 HydrophobicContact CG1-CD2 3.92Å; I1762-L1785 HydrophobicContact CD1-CD1 4.28Å; I1762-L1785 HydrophobicContact CG1-CD1 4.4Å |
| 1763 | A | 75.9 | Confident | 74.2 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 10% | 0.099 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1581 F1759 F1760 R1765 D1766 F1767 | D1581-A1763 HydrophobicContact CB-CB 4.38Å; F1759-A1763 PolarHBondContact O-N 3.37Å; F1760-A1763 PolarHBondContact O-N 3.22Å; A1763-R1765 PolarHBondContact O-N 2.7Å; A1763-D1766 PolarHBondContact O-N 3.23Å; A1763-F1767 WeakPolarHBondContact O-CB 3.49Å; A1763-F1767 PolarHBondContact O-N 3.37Å |
| 1764 | L | 71.7 | Confident | 72.7 | Confident | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 172.1 | -78.1 | 179.9 | 0 | 0 | 0 | 112.6 | E1716 M1720 F1760 I1762 F1767 F1768 | E1716-L1764 WeakPolarHBondContact OE2-CD1 3.25Å; M1720-L1764 HydrophobicContact CE-CD1 3.46Å; M1720-L1764 VanDerWaalsContact CE-CD1 3.46Å; M1720-L1764 HydrophobicContact CE-CD2 3.93Å; M1720-L1764 HydrophobicContact CE-CG 4.3Å; F1760-L1764 HydrophobicContact CD1-CD1 3.81Å; F1760-L1764 HydrophobicContact CD1-CG 4.16Å; F1760-L1764 HydrophobicContact CE1-CD1 3.42Å; F1760-L1764 VanDerWaalsContact CE1-CD1 3.42Å; F1760-L1764 HydrophobicContact CE1-CD2 4.3Å; F1760-L1764 HydrophobicContact CE1-CG 3.79Å; F1760-L1764 HydrophobicContact CZ-CD1 4.11Å; F1760-L1764 HydrophobicContact CZ-CD2 4.15Å; F1760-L1764 HydrophobicContact CZ-CG 4.03Å; F1760-L1764 WeakPolarHBondContact O-CB 3.18Å; F1760-L1764 WeakPolarHBondContact O-CG 3.48Å; F1760-L1764 PolarHBondContact O-N 2.99Å; I1762-L1764 PolarHBondContact O-N 3.37Å; L1764-F1767 HydrophobicContact CD2-CD1 4.33Å; L1764-F1767 WeakPolarHBondContact O-CB 3.37Å; L1764-F1767 PolarHBondContact O-N 3.01Å; L1764-F1768 HydrophobicContact CD2-CE2 4.4Å; L1764-F1768 WeakPolarHBondContact O-CD2 3.4Å; L1764-F1768 PolarHBondContact O-N 3.37Å |
| 1765 | R | 72.9 | Confident | 71.4 | Confident | 53 Ų | 53 | 33 Ų | 33 | 20% | 0.2 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 174.8 | -176 | -168.6 | 161.3 | -178.7 | -2.4 | 110.8 | D1660 T1761 I1762 A1763 F1767 F1768 H1769 | D1660-R1765 IonicContact OD2-CZ 3.98Å; D1660-R1765 IonicContact OD2-NH1 2.63Å; D1660-R1765 PolarHBondContact OD2-NH1 3.09Å; D1660-R1765 IonicContact OD2-NH2 3.76Å; D1660-R1765 PolarHBondContact OD2-NH2 3.24Å; T1761-R1765 PolarHBondContact O-N 3.28Å; I1762-R1765 PolarHBondContact O-N 3.24Å; I1762-R1765 VanDerWaalsContact O-N 3.14Å; A1763-R1765 PolarHBondContact O-N 2.7Å; R1765-F1767 VanDerWaalsContact C-N 3.28Å; R1765-F1767 PolarHBondContact O-N 2.81Å; R1765-F1768 PolarHBondContact O-N 2.81Å; R1765-H1769 VanDerWaalsContact O-CB 3.23Å; R1765-H1769 WeakPolarHBondContact O-CB 3.26Å; R1765-H1769 PolarHBondContact O-N 2.82Å |
| 1766 | D | 71.7 | Confident | 70 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -37.6 | 179 | -163.7 | 45.7 | 0 | 0 | 0 | 111.3 | S1654 A1655 I1762 A1763 H1769 K1770 | S1654-D1766 PolarHBondContact OG-OD2 3Å; A1655-D1766 WeakPolarHBondContact CA-OD2 3.26Å; A1655-D1766 HydrophobicContact CB-CB 3.76Å; A1655-D1766 PolarHBondContact N-OD2 3.03Å; I1762-D1766 PolarHBondContact O-N 3.18Å; I1762-D1766 VanDerWaalsContact O-N 3.07Å; A1763-D1766 PolarHBondContact O-N 3.23Å; D1766-H1769 PolarHBondContact O-N 3.22Å; D1766-K1770 WeakPolarHBondContact O-CB 2.95Å; D1766-K1770 WeakPolarHBondContact O-CD 3.39Å; D1766-K1770 VanDerWaalsContact O-CG 3.23Å; D1766-K1770 WeakPolarHBondContact O-CG 3.45Å; D1766-K1770 PolarHBondContact O-N 3.08Å; D1766-K1770 WeakPolarHBondContact OD2-CE 3.34Å; D1766-K1770 IonicContact OD2-NZ 3.86Å; D1766-K1770 PolarHBondContact OD2-NZ 3.17Å |
| 1767 | F | 68.8 | Low | 68.6 | Low | 14 Ų | 14 | 44.1 Ų | 44.1 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -55.4 | 171.1 | 168.9 | -111.8 | 0 | 0 | 0 | 113.3 | Y1571 I1574 I1578 A1763 L1764 R1765 H1769 K1770 L1771 | Y1571-F1767 HydrophobicContact CD2-CZ 4.1Å; Y1571-F1767 AromaticContact CE2-CZ 3.76Å; Y1571-F1767 HydrophobicContact CE2-CZ 3.76Å; I1574-F1767 HydrophobicContact CB-CE2 4.31Å; I1574-F1767 HydrophobicContact CG2-CD2 3.4Å; I1574-F1767 HydrophobicContact CG2-CE2 3.58Å; I1578-F1767 HydrophobicContact CD1-CD1 4.3Å; I1578-F1767 HydrophobicContact CD1-CD2 3.32Å; I1578-F1767 HydrophobicContact CD1-CE1 4.28Å; I1578-F1767 HydrophobicContact CD1-CE2 3.29Å; I1578-F1767 HydrophobicContact CD1-CG 3.83Å; I1578-F1767 HydrophobicContact CD1-CZ 3.78Å; I1578-F1767 HydrophobicContact CG1-CB 4.4Å; I1578-F1767 HydrophobicContact CG1-CD2 3.77Å; I1578-F1767 HydrophobicContact CG1-CE2 4.22Å; I1578-F1767 HydrophobicContact CG1-CG 4.18Å; A1763-F1767 WeakPolarHBondContact O-CB 3.49Å; A1763-F1767 PolarHBondContact O-N 3.37Å; L1764-F1767 HydrophobicContact CD2-CD1 4.33Å; L1764-F1767 WeakPolarHBondContact O-CB 3.37Å; L1764-F1767 PolarHBondContact O-N 3.01Å; R1765-F1767 VanDerWaalsContact C-N 3.28Å; R1765-F1767 PolarHBondContact O-N 2.81Å; F1767-H1769 VanDerWaalsContact C-N 3.31Å; F1767-H1769 PolarHBondContact O-N 3.12Å; F1767-K1770 PolarHBondContact O-N 2.94Å; F1767-L1771 HydrophobicContact CD1-CD1 4.25Å; F1767-L1771 HydrophobicContact CD2-CD1 4.14Å; F1767-L1771 HydrophobicContact CE1-CD1 3.76Å; F1767-L1771 HydrophobicContact CE2-CD1 3.64Å; F1767-L1771 HydrophobicContact CE2-CG 4.32Å; F1767-L1771 HydrophobicContact CG-CD1 4.44Å; F1767-L1771 HydrophobicContact CZ-CD1 3.45Å; F1767-L1771 VanDerWaalsContact CZ-CD1 3.45Å; F1767-L1771 WeakPolarHBondContact O-CG 3.5Å; F1767-L1771 PolarHBondContact O-N 2.95Å |
| 1768 | F | 67 | Low | 67.5 | Low | 32 Ų | 32 | 52.3 Ų | 52.3 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -32.8 | 179.5 | -75.6 | -70.8 | 0 | 0 | 0 | 112.7 | M1720 L1764 R1765 L1771 G1772 I1773 Y1775 | M1720-F1768 HydrophobicContact CE-CE2 3.83Å; M1720-F1768 HydrophobicContact CE-CZ 4.09Å; M1720-F1768 HydrophobicContact SD-CE2 4.44Å; M1720-F1768 HydrophobicContact SD-CZ 4.11Å; L1764-F1768 HydrophobicContact CD2-CE2 4.4Å; L1764-F1768 WeakPolarHBondContact O-CD2 3.4Å; L1764-F1768 PolarHBondContact O-N 3.37Å; R1765-F1768 PolarHBondContact O-N 2.81Å; F1768-L1771 CarbonylContact O-C 3.54Å; F1768-L1771 PolarHBondContact O-N 2.92Å; F1768-G1772 PolarHBondContact O-N 3.47Å; F1768-G1772 VanDerWaalsContact O-N 3.13Å; F1768-I1773 HydrophobicContact CD1-CB 4.28Å; F1768-I1773 HydrophobicContact CD1-CG2 4.23Å; F1768-I1773 PolarHBondContact O-N 3.13Å; F1768-Y1775 AromaticContact CD2-CD2 3.22Å; F1768-Y1775 HydrophobicContact CD2-CD2 3.22Å; F1768-Y1775 AromaticContact CD2-CE2 3.93Å; F1768-Y1775 HydrophobicContact CD2-CE2 3.93Å; F1768-Y1775 AromaticContact CD2-CG 3.72Å; F1768-Y1775 HydrophobicContact CD2-CG 3.72Å; F1768-Y1775 AromaticContact CE2-CD2 3.29Å; F1768-Y1775 HydrophobicContact CE2-CD2 3.29Å; F1768-Y1775 AromaticContact CE2-CE2 3.58Å; F1768-Y1775 HydrophobicContact CE2-CE2 3.58Å; F1768-Y1775 HydrophobicContact CE2-CG 4.23Å; F1768-Y1775 AromaticContact CG-CD2 3.92Å; F1768-Y1775 HydrophobicContact CG-CD2 3.92Å; F1768-Y1775 HydrophobicContact CG-CG 4.23Å; F1768-Y1775 AromaticContact CZ-CD2 3.98Å; F1768-Y1775 HydrophobicContact CZ-CD2 3.98Å; F1768-Y1775 HydrophobicContact CZ-CE2 4.32Å |
| 1769 | H | 67.9 | Low | 66.3 | Low | 108 Ų | 108 | 56.5 Ų | 56.5 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 174.2 | -172.5 | -104.7 | 0 | 0 | 0 | 112 | H1658 R1765 D1766 F1767 L1771 G1772 | H1658-H1769 AromaticContact NE2-CE1 3.94Å; R1765-H1769 VanDerWaalsContact O-CB 3.23Å; R1765-H1769 WeakPolarHBondContact O-CB 3.26Å; R1765-H1769 PolarHBondContact O-N 2.82Å; D1766-H1769 PolarHBondContact O-N 3.22Å; F1767-H1769 VanDerWaalsContact C-N 3.31Å; F1767-H1769 PolarHBondContact O-N 3.12Å; H1769-L1771 VanDerWaalsContact C-N 3.27Å; H1769-L1771 PolarHBondContact O-N 3.09Å; H1769-G1772 PolarHBondContact O-N 3.3Å; H1769-G1772 VanDerWaalsContact O-N 3.08Å |
| 1770 | K | 63.8 | Low | 65.6 | Low | 96 Ų | 96 | 59.2 Ų | 59.2 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -33 | 171.6 | -76.4 | 163.5 | 174.1 | 163.9 | 0 | 112.6 | S1654 D1766 F1767 G1772 | S1654-K1770 WeakPolarHBondContact OG-CE 3.35Å; S1654-K1770 PolarHBondContact OG-NZ 2.92Å; D1766-K1770 WeakPolarHBondContact O-CB 2.95Å; D1766-K1770 WeakPolarHBondContact O-CD 3.39Å; D1766-K1770 VanDerWaalsContact O-CG 3.23Å; D1766-K1770 WeakPolarHBondContact O-CG 3.45Å; D1766-K1770 PolarHBondContact O-N 3.08Å; D1766-K1770 WeakPolarHBondContact OD2-CE 3.34Å; D1766-K1770 IonicContact OD2-NZ 3.86Å; D1766-K1770 PolarHBondContact OD2-NZ 3.17Å; F1767-K1770 PolarHBondContact O-N 2.94Å; K1770-G1772 VanDerWaalsContact C-N 3.32Å |
| 1771 | L | 60.6 | Low | 65.4 | Low | 41 Ų | 41 | 58.8 Ų | 58.8 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -7.7 | 174 | -70.7 | 173 | 0 | 0 | 0 | 114.4 | Y1571 I1574 F1767 F1768 H1769 I1773 | Y1571-L1771 HydrophobicContact CD2-CD1 4.45Å; I1574-L1771 HydrophobicContact CD1-CD2 3.7Å; I1574-L1771 HydrophobicContact CD1-CG 4.47Å; F1767-L1771 HydrophobicContact CD1-CD1 4.25Å; F1767-L1771 HydrophobicContact CD2-CD1 4.14Å; F1767-L1771 HydrophobicContact CE1-CD1 3.76Å; F1767-L1771 HydrophobicContact CE2-CD1 3.64Å; F1767-L1771 HydrophobicContact CE2-CG 4.32Å; F1767-L1771 HydrophobicContact CG-CD1 4.44Å; F1767-L1771 HydrophobicContact CZ-CD1 3.45Å; F1767-L1771 VanDerWaalsContact CZ-CD1 3.45Å; F1767-L1771 WeakPolarHBondContact O-CG 3.5Å; F1767-L1771 PolarHBondContact O-N 2.95Å; F1768-L1771 CarbonylContact O-C 3.54Å; F1768-L1771 PolarHBondContact O-N 2.92Å; H1769-L1771 VanDerWaalsContact C-N 3.27Å; H1769-L1771 PolarHBondContact O-N 3.09Å; L1771-I1773 HydrophobicContact CB-CB 4.48Å; L1771-I1773 HydrophobicContact CB-CD1 4.06Å; L1771-I1773 HydrophobicContact CB-CG1 4.1Å; L1771-I1773 HydrophobicContact CD1-CD1 4.34Å; L1771-I1773 PolarHBondContact O-N 3.28Å |
| 1772 | G | 59.3 | Low | 65.4 | Low | 67 Ų | 67 | 64.4 Ų | 64.4 | 69% | 0.691 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 12.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | F1768 H1769 K1770 | F1768-G1772 PolarHBondContact O-N 3.47Å; F1768-G1772 VanDerWaalsContact O-N 3.13Å; H1769-G1772 PolarHBondContact O-N 3.3Å; H1769-G1772 VanDerWaalsContact O-N 3.08Å; K1770-G1772 VanDerWaalsContact C-N 3.32Å |
| 1773 | I | 58.4 | Low | 65.2 | Low | 91 Ų | 91 | 68 Ų | 68 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | trans | -95.6 | 129.7 | -176.6 | -62.7 | 173.2 | 0 | 0 | 0 | 109.5 | F1768 L1771 Y1775 | F1768-I1773 HydrophobicContact CD1-CB 4.28Å; F1768-I1773 HydrophobicContact CD1-CG2 4.23Å; F1768-I1773 PolarHBondContact O-N 3.13Å; L1771-I1773 HydrophobicContact CB-CB 4.48Å; L1771-I1773 HydrophobicContact CB-CD1 4.06Å; L1771-I1773 HydrophobicContact CB-CG1 4.1Å; L1771-I1773 HydrophobicContact CD1-CD1 4.34Å; L1771-I1773 PolarHBondContact O-N 3.28Å; I1773-Y1775 PolarHBondContact O-N 3.44Å | ||
| 1774 | P | 53.7 | Low | 65.1 | Low | 93 Ų | 93 | 69.3 Ų | 69.3 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | trans | -69.6 | 102.5 | 178.8 | 27.7 | -34.1 | 0 | 0 | 0 | 111.7 | K1776 | P1774-K1776 PolarHBondContact O-N 2.91Š| ||
| 1775 | Y | 58.4 | Low | 65.6 | Low | 40 Ų | 40 | 68.8 Ų | 68.8 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -73 | 88.9 | 170.2 | -173.8 | -102.6 | 0 | 0 | 0 | 110.6 | M1720 F1768 I1773 I1784 | M1720-Y1775 HydrophobicContact CE-CE2 4.19Å; F1768-Y1775 AromaticContact CD2-CD2 3.22Å; F1768-Y1775 HydrophobicContact CD2-CD2 3.22Å; F1768-Y1775 AromaticContact CD2-CE2 3.93Å; F1768-Y1775 HydrophobicContact CD2-CE2 3.93Å; F1768-Y1775 AromaticContact CD2-CG 3.72Å; F1768-Y1775 HydrophobicContact CD2-CG 3.72Å; F1768-Y1775 AromaticContact CE2-CD2 3.29Å; F1768-Y1775 HydrophobicContact CE2-CD2 3.29Å; F1768-Y1775 AromaticContact CE2-CE2 3.58Å; F1768-Y1775 HydrophobicContact CE2-CE2 3.58Å; F1768-Y1775 HydrophobicContact CE2-CG 4.23Å; F1768-Y1775 AromaticContact CG-CD2 3.92Å; F1768-Y1775 HydrophobicContact CG-CD2 3.92Å; F1768-Y1775 HydrophobicContact CG-CG 4.23Å; F1768-Y1775 AromaticContact CZ-CD2 3.98Å; F1768-Y1775 HydrophobicContact CZ-CD2 3.98Å; F1768-Y1775 HydrophobicContact CZ-CE2 4.32Å; I1773-Y1775 PolarHBondContact O-N 3.44Å; Y1775-I1784 HydrophobicContact CD1-CD1 4.29Å; Y1775-I1784 HydrophobicContact CE1-CD1 4.17Å |
| 1776 | K | 58.2 | Low | 66.1 | Low | 110 Ų | 110 | 71.8 Ų | 71.8 | 48% | 0.478 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 61.1 | 67 | 178.8 | -58.4 | 169 | -179.7 | 158.6 | 0 | 112.8 | P1774 N1778 I1779 | P1774-K1776 PolarHBondContact O-N 2.91Å; K1776-N1778 PolarHBondContact O-N 2.96Å; K1776-I1779 HydrophobicContact CB-CD1 4.26Å; K1776-I1779 WeakPolarHBondContact O-CB 3.31Å; K1776-I1779 VanDerWaalsContact O-CG1 3.28Å; K1776-I1779 WeakPolarHBondContact O-CG1 3.49Å; K1776-I1779 PolarHBondContact O-N 2.9Å |
| 1777 | D | 52.9 | Low | 66.7 | Low | 128 Ų | 128 | 75.5 Ų | 75.5 | 68% | 0.684 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 34.3 | 78.2 | 156 | -57.6 | -9.6 | 0 | 0 | 0 | 116.7 | I1779 | D1777-I1779 PolarHBondContact O-N 3.47Š|
| 1778 | N | 55.1 | Low | 67.5 | Low | 172 Ų | 172 | 75 Ų | 75 | 92% | 0.92 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 13.8 | 172.3 | -66.6 | -20.8 | 0 | 0 | 0 | 116.1 | K1776 S1780 | K1776-N1778 PolarHBondContact O-N 2.96Å; N1778-S1780 PolarHBondContact O-N 2.8Å; N1778-S1780 VanDerWaalsContact O-N 3.14Å |
| 1779 | I | 58 | Low | 68.5 | Low | 87 Ų | 87 | 74.2 Ų | 74.2 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | trans | -70 | 112.4 | 176.8 | -65 | 177.1 | 0 | 0 | 0 | 109.1 | K1776 D1777 N1783 I1784 | K1776-I1779 HydrophobicContact CB-CD1 4.26Å; K1776-I1779 WeakPolarHBondContact O-CB 3.31Å; K1776-I1779 VanDerWaalsContact O-CG1 3.28Å; K1776-I1779 WeakPolarHBondContact O-CG1 3.49Å; K1776-I1779 PolarHBondContact O-N 2.9Å; D1777-I1779 PolarHBondContact O-N 3.47Å; I1779-N1783 HydrophobicContact CG2-CB 3.41Å; I1779-N1783 VanDerWaalsContact CG2-CB 3.41Å; I1779-I1784 HydrophobicContact CG2-CG1 4.11Å | ||
| 1780 | S | 68.2 | Low | 69.5 | Low | 58 Ų | 58 | 70.8 Ų | 70.8 | 41% | 0.406 | 38% | 0.381 | S | S | . | . | trans | -53.2 | 143.1 | 177.2 | 61.7 | 0 | 0 | 0 | 0 | 112 | N1778 W1782 N1783 | N1778-S1780 PolarHBondContact O-N 2.8Å; N1778-S1780 VanDerWaalsContact O-N 3.14Å; S1780-W1782 PolarHBondContact O-N 2.96Å; S1780-N1783 WeakPolarHBondContact O-CA 3.4Å; S1780-N1783 WeakPolarHBondContact O-CB 3.4Å; S1780-N1783 PolarHBondContact O-N 3.45Å; S1780-N1783 PolarHBondContact OG-ND2 2.94Å | ||
| 1781 | L | 72.5 | Confident | 70.7 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.7 | -33.6 | -176.9 | -173.8 | 74.1 | 0 | 0 | 0 | 112.5 | T1661 P1664 I1762 N1783 I1784 L1785 | T1661-L1781 HydrophobicContact CG2-CD2 4.11Å; P1664-L1781 HydrophobicContact CB-CD2 3.87Å; P1664-L1781 HydrophobicContact CG-CD2 3.98Å; I1762-L1781 HydrophobicContact CD1-CD2 4.44Å; I1762-L1781 HydrophobicContact CG1-CD1 4.29Å; I1762-L1781 HydrophobicContact CG1-CD2 3.92Å; L1781-N1783 VanDerWaalsContact C-N 3.29Å; L1781-N1783 PolarHBondContact O-N 3.42Å; L1781-I1784 WeakPolarHBondContact O-CB 3.41Å; L1781-I1784 PolarHBondContact O-N 2.91Å; L1781-L1785 HydrophobicContact CD1-CD1 4.29Å; L1781-L1785 HydrophobicContact CD1-CG 4.41Å; L1781-L1785 HydrophobicContact CD2-CD1 3.89Å; L1781-L1785 HydrophobicContact CG-CD1 3.76Å; L1781-L1785 HydrophobicContact CG-CG 4.19Å; L1781-L1785 PolarHBondContact O-N 3.42Å |
| 1782 | W | 79.1 | Confident | 72.1 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 47% | 0.473 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -50.6 | -43.2 | 169.7 | -67.8 | 100 | 0 | 0 | 0 | 113.5 | P1664 L1667 S1780 I1784 K1786 M1789 | P1664-W1782 HydrophobicContact CG-CD2 4.03Å; P1664-W1782 HydrophobicContact CG-CG 4.41Å; P1664-W1782 HydrophobicContact CG-CH2 4.47Å; P1664-W1782 HydrophobicContact CG-CZ2 3.91Å; L1667-W1782 HydrophobicContact CD2-CH2 3.9Å; L1667-W1782 HydrophobicContact CD2-CZ3 3.58Å; S1780-W1782 PolarHBondContact O-N 2.96Å; W1782-I1784 VanDerWaalsContact C-N 3.3Å; W1782-I1784 PolarHBondContact O-N 2.9Å; W1782-K1786 WeakPolarHBondContact O-CB 3.37Å; W1782-K1786 PolarHBondContact O-N 3.49Å; W1782-M1789 HydrophobicContact CE3-CE 4.36Å; W1782-M1789 HydrophobicContact CE3-SD 4.23Å; W1782-M1789 HydrophobicContact CZ3-CE 4.21Å; W1782-M1789 HydrophobicContact CZ3-SD 4.23Å |
| 1783 | N | 74.8 | Confident | 73.6 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.7 | -22 | 178.6 | -94.3 | -50.8 | 0 | 0 | 0 | 113.9 | I1779 S1780 L1781 K1786 | I1779-N1783 HydrophobicContact CG2-CB 3.41Å; I1779-N1783 VanDerWaalsContact CG2-CB 3.41Å; S1780-N1783 WeakPolarHBondContact O-CA 3.4Å; S1780-N1783 WeakPolarHBondContact O-CB 3.4Å; S1780-N1783 PolarHBondContact O-N 3.45Å; S1780-N1783 PolarHBondContact OG-ND2 2.94Å; L1781-N1783 VanDerWaalsContact C-N 3.29Å; L1781-N1783 PolarHBondContact O-N 3.42Å; N1783-K1786 WeakPolarHBondContact O-CD 3.31Å; N1783-K1786 WeakPolarHBondContact O-CE 3.27Å; N1783-K1786 WeakPolarHBondContact O-CG 3.13Å; N1783-K1786 PolarHBondContact OD1-NZ 2.8Å |
| 1784 | I | 74.4 | Confident | 75.1 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 21% | 0.205 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -80.2 | -50.8 | 173.2 | -57.2 | 175.1 | 0 | 0 | 0 | 109 | Y1775 I1779 L1781 W1782 K1786 | Y1775-I1784 HydrophobicContact CD1-CD1 4.29Å; Y1775-I1784 HydrophobicContact CE1-CD1 4.17Å; I1779-I1784 HydrophobicContact CG2-CG1 4.11Å; L1781-I1784 WeakPolarHBondContact O-CB 3.41Å; L1781-I1784 PolarHBondContact O-N 2.91Å; W1782-I1784 VanDerWaalsContact C-N 3.3Å; W1782-I1784 PolarHBondContact O-N 2.9Å; I1784-K1786 PolarHBondContact O-N 2.58Å |
| 1785 | L | 81.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -77.3 | -13.4 | -175 | -65.4 | 178 | 0 | 0 | 0 | 114.7 | P1664 T1761 I1762 L1781 I1787 D1788 M1789 | P1664-L1785 HydrophobicContact CB-CD1 3.71Å; T1761-L1785 WeakPolarHBondContact OG1-CD2 3.44Å; I1762-L1785 HydrophobicContact CD1-CD1 4.28Å; I1762-L1785 HydrophobicContact CG1-CD1 4.4Å; L1781-L1785 HydrophobicContact CD1-CD1 4.29Å; L1781-L1785 HydrophobicContact CD1-CG 4.41Å; L1781-L1785 HydrophobicContact CD2-CD1 3.89Å; L1781-L1785 HydrophobicContact CG-CD1 3.76Å; L1781-L1785 HydrophobicContact CG-CG 4.19Å; L1781-L1785 PolarHBondContact O-N 3.42Å; L1785-I1787 PolarHBondContact O-N 2.76Å; L1785-D1788 PolarHBondContact O-N 3.45Å; L1785-M1789 HydrophobicContact CB-CE 4.07Å; L1785-M1789 HydrophobicContact CB-CG 4.32Å; L1785-M1789 HydrophobicContact CB-SD 4.2Å; L1785-M1789 HydrophobicContact CD1-CE 4.16Å; L1785-M1789 WeakPolarHBondContact O-CB 3.44Å; L1785-M1789 WeakPolarHBondContact O-CG 3.44Å; L1785-M1789 PolarHBondContact O-N 3.03Å |
| 1786 | K | 84.8 | Confident | 78.3 | Confident | 116 Ų | 116 | 62 Ų | 62 | 50% | 0.504 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.3 | -34.1 | -177.1 | 66.2 | -173.4 | 170.7 | -165.1 | 0 | 114.4 | W1782 N1783 I1784 G1790 | W1782-K1786 WeakPolarHBondContact O-CB 3.37Å; W1782-K1786 PolarHBondContact O-N 3.49Å; N1783-K1786 WeakPolarHBondContact O-CD 3.31Å; N1783-K1786 WeakPolarHBondContact O-CE 3.27Å; N1783-K1786 WeakPolarHBondContact O-CG 3.13Å; N1783-K1786 PolarHBondContact OD1-NZ 2.8Å; I1784-K1786 PolarHBondContact O-N 2.58Å; K1786-G1790 WeakPolarHBondContact O-CA 3.43Å; K1786-G1790 PolarHBondContact O-N 3.45Å |
| 1787 | I | 84.3 | Confident | 79.8 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 45% | 0.446 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.4 | -46.4 | -179.2 | -49 | 178.3 | 0 | 0 | 0 | 110.2 | L1785 G1790 C1791 | L1785-I1787 PolarHBondContact O-N 2.76Å; I1787-G1790 PolarHBondContact O-N 3.12Å; I1787-C1791 WeakPolarHBondContact O-CB 3.31Å; I1787-C1791 PolarHBondContact O-N 2.88Å; I1787-C1791 PolarHBondContact O-SG 2.7Å |
| 1788 | D | 85.4 | Confident | 81.6 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.7 | -36.8 | -178.6 | -66.6 | -60.3 | 0 | 0 | 0 | 112.2 | R1748 C1754 L1785 C1791 L1792 | R1748-D1788 IonicContact CZ-OD1 2.74Å; R1748-D1788 IonicContact CZ-OD2 2.77Å; R1748-D1788 IonicContact NE-OD1 2.61Å; R1748-D1788 PolarHBondContact NE-OD1 3.32Å; R1748-D1788 IonicContact NE-OD2 3.99Å; R1748-D1788 VanDerWaalsContact NH2-CG 3.29Å; R1748-D1788 IonicContact NH2-OD1 3.6Å; R1748-D1788 PolarHBondContact NH2-OD1 3.1Å; R1748-D1788 VanDerWaalsContact NH2-OD1 3.15Å; R1748-D1788 IonicContact NH2-OD2 3.41Å; R1748-D1788 PolarHBondContact NH2-OD2 3.09Å; C1754-D1788 HydrophobicContact CB-CB 4.15Å; L1785-D1788 PolarHBondContact O-N 3.45Å; D1788-C1791 PolarHBondContact O-N 3.04Å; D1788-L1792 WeakPolarHBondContact O-CG 3.33Å; D1788-L1792 PolarHBondContact O-N 2.91Å |
| 1789 | M | 88.1 | Confident | 83.2 | Confident | 15 Ų | 15 | 52 Ų | 52 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 168 | -71.2 | 177.9 | 171.2 | 0 | 0 | 111.9 | P1664 L1667 T1668 L1671 W1782 L1785 C1791 L1792 L1793 | P1664-M1789 HydrophobicContact CB-CE 3.72Å; P1664-M1789 WeakPolarHBondContact O-CE 3.48Å; L1667-M1789 HydrophobicContact CB-CE 4.27Å; L1667-M1789 HydrophobicContact CD2-CE 4.07Å; L1667-M1789 HydrophobicContact CD2-SD 4.08Å; L1667-M1789 HydrophobicContact CG-CE 4.42Å; T1668-M1789 HydrophobicContact CG2-CE 3.68Å; T1668-M1789 HydrophobicContact CG2-CG 3.8Å; L1671-M1789 HydrophobicContact CD1-CB 3.97Å; L1671-M1789 HydrophobicContact CD1-CG 4.18Å; W1782-M1789 HydrophobicContact CE3-CE 4.36Å; W1782-M1789 HydrophobicContact CE3-SD 4.23Å; W1782-M1789 HydrophobicContact CZ3-CE 4.21Å; W1782-M1789 HydrophobicContact CZ3-SD 4.23Å; L1785-M1789 HydrophobicContact CB-CE 4.07Å; L1785-M1789 HydrophobicContact CB-CG 4.32Å; L1785-M1789 HydrophobicContact CB-SD 4.2Å; L1785-M1789 HydrophobicContact CD1-CE 4.16Å; L1785-M1789 WeakPolarHBondContact O-CB 3.44Å; L1785-M1789 WeakPolarHBondContact O-CG 3.44Å; L1785-M1789 PolarHBondContact O-N 3.03Å; M1789-C1791 VanDerWaalsContact C-N 3.35Å; M1789-C1791 PolarHBondContact O-N 3.08Å; M1789-L1792 PolarHBondContact O-N 3.19Å; M1789-L1793 WeakPolarHBondContact O-CB 3.38Å; M1789-L1793 PolarHBondContact O-N 2.86Å |
| 1790 | G | 87.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1786 I1787 L1793 L1794 | K1786-G1790 WeakPolarHBondContact O-CA 3.43Å; K1786-G1790 PolarHBondContact O-N 3.45Å; I1787-G1790 PolarHBondContact O-N 3.12Å; G1790-L1793 PolarHBondContact O-N 2.52Å; G1790-L1794 WeakPolarHBondContact O-CB 3.09Å; G1790-L1794 PolarHBondContact O-N 3.15Å |
| 1791 | C | 88.6 | Confident | 85.6 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 171.7 | -77.6 | 0 | 0 | 0 | 0 | 111.6 | I1787 D1788 M1789 L1793 L1794 H1795 | I1787-C1791 WeakPolarHBondContact O-CB 3.31Å; I1787-C1791 PolarHBondContact O-N 2.88Å; I1787-C1791 PolarHBondContact O-SG 2.7Å; D1788-C1791 PolarHBondContact O-N 3.04Å; M1789-C1791 VanDerWaalsContact C-N 3.35Å; M1789-C1791 PolarHBondContact O-N 3.08Å; C1791-L1793 PolarHBondContact O-N 3.24Å; C1791-L1794 PolarHBondContact O-N 3.19Å; C1791-H1795 WeakPolarHBondContact O-CB 3.35Å; C1791-H1795 PolarHBondContact O-N 3.01Å; C1791-H1795 PolarHBondContact O-ND1 3.3Å |
| 1792 | L | 90.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 179.1 | -72.9 | 172.6 | 0 | 0 | 0 | 112.4 | L1671 A1675 P1751 C1754 D1788 M1789 H1795 S1796 | L1671-L1792 HydrophobicContact CB-CB 3.94Å; L1671-L1792 HydrophobicContact CB-CD1 4.26Å; A1675-L1792 HydrophobicContact CB-CD2 4.15Å; P1751-L1792 HydrophobicContact CB-CD2 3.79Å; C1754-L1792 HydrophobicContact CB-CD1 4.24Å; C1754-L1792 HydrophobicContact CB-CD2 3.85Å; C1754-L1792 HydrophobicContact CB-CG 3.79Å; D1788-L1792 WeakPolarHBondContact O-CG 3.33Å; D1788-L1792 PolarHBondContact O-N 2.91Å; M1789-L1792 PolarHBondContact O-N 3.19Å; L1792-H1795 PolarHBondContact O-N 3.36Å; L1792-S1796 PolarHBondContact O-N 3Å |
| 1793 | L | 90.6 | Very high | 86.7 | Confident | 86 Ų | 86 | 47.6 Ų | 47.6 | 45% | 0.45 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.1 | -174.5 | 147.5 | 0 | 0 | 0 | 111.8 | L1671 M1789 G1790 C1791 S1796 I1797 | L1671-L1793 HydrophobicContact CD2-CB 4.24Å; L1671-L1793 HydrophobicContact CD2-CD1 4.34Å; M1789-L1793 WeakPolarHBondContact O-CB 3.38Å; M1789-L1793 PolarHBondContact O-N 2.86Å; G1790-L1793 PolarHBondContact O-N 2.52Å; C1791-L1793 PolarHBondContact O-N 3.24Å; L1793-S1796 PolarHBondContact O-N 3.21Å; L1793-S1796 PolarHBondContact O-OG 2.87Å; L1793-I1797 HydrophobicContact CD2-CD1 3.77Å; L1793-I1797 WeakPolarHBondContact O-CG1 3.29Å; L1793-I1797 PolarHBondContact O-N 3.13Å |
| 1794 | L | 90.4 | Very high | 87.2 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 48% | 0.476 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.1 | -37.5 | 177.2 | 178 | 143.2 | 0 | 0 | 0 | 112 | G1790 C1791 L1798 | G1790-L1794 WeakPolarHBondContact O-CB 3.09Å; G1790-L1794 PolarHBondContact O-N 3.15Å; C1791-L1794 PolarHBondContact O-N 3.19Å; L1794-L1798 HydrophobicContact CD2-CD1 3.54Å; L1794-L1798 HydrophobicContact CD2-CG 4.33Å; L1794-L1798 HydrophobicContact CG-CD1 3.95Å; L1794-L1798 HydrophobicContact CG-CG 4.32Å; L1794-L1798 WeakPolarHBondContact O-CB 2.98Å; L1794-L1798 WeakPolarHBondContact O-CG 3.44Å; L1794-L1798 PolarHBondContact O-N 2.89Å |
| 1795 | H | 89.4 | Confident | 87.5 | Confident | 26 Ų | 26 | 48 Ų | 48 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 172.6 | -78.5 | 92.2 | 0 | 0 | 0 | 112 | A1675 R1748 I1749 C1791 L1792 I1797 L1799 | A1675-H1795 HydrophobicContact CB-CB 4.15Å; R1748-H1795 PolarHBondContact O-CE1 3.38Å; I1749-H1795 PolarHBondContact O-NE2 3.01Å; C1791-H1795 WeakPolarHBondContact O-CB 3.35Å; C1791-H1795 PolarHBondContact O-N 3.01Å; C1791-H1795 PolarHBondContact O-ND1 3.3Å; L1792-H1795 PolarHBondContact O-N 3.36Å; H1795-I1797 VanDerWaalsContact C-N 3.32Å; H1795-I1797 PolarHBondContact O-N 2.73Å; H1795-L1799 HydrophobicContact CB-CD1 4.24Å; H1795-L1799 WeakPolarHBondContact O-CB 3.36Å; H1795-L1799 WeakPolarHBondContact O-CG 3.36Å; H1795-L1799 PolarHBondContact O-N 3.35Å |
| 1796 | S | 88.8 | Confident | 87.4 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -43.4 | -179.4 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | S1678 L1792 L1793 F1800 | S1678-S1796 PolarHBondContact OG-O 3.33Å; L1792-S1796 PolarHBondContact O-N 3Å; L1793-S1796 PolarHBondContact O-N 3.21Å; L1793-S1796 PolarHBondContact O-OG 2.87Å; S1796-F1800 WeakPolarHBondContact O-CB 3.07Å; S1796-F1800 PolarHBondContact O-N 2.73Å; S1796-F1800 VanDerWaalsContact O-N 3.12Å |
| 1797 | I | 90.9 | Very high | 87 | Confident | 88 Ų | 88 | 46.3 Ų | 46.3 | 45% | 0.451 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.3 | -55.4 | 176.9 | -64.6 | 176.1 | 0 | 0 | 0 | 111.2 | L1793 H1795 L1799 F1800 I1801 | L1793-I1797 HydrophobicContact CD2-CD1 3.77Å; L1793-I1797 WeakPolarHBondContact O-CG1 3.29Å; L1793-I1797 PolarHBondContact O-N 3.13Å; H1795-I1797 VanDerWaalsContact C-N 3.32Å; H1795-I1797 PolarHBondContact O-N 2.73Å; I1797-L1799 PolarHBondContact O-N 3.07Å; I1797-F1800 PolarHBondContact O-N 3.04Å; I1797-I1801 HydrophobicContact CG2-CD1 3.67Å; I1797-I1801 HydrophobicContact CG2-CG1 4.45Å; I1797-I1801 WeakPolarHBondContact O-CB 3.43Å; I1797-I1801 VanDerWaalsContact O-CG1 3.29Å; I1797-I1801 WeakPolarHBondContact O-CG1 3.45Å; I1797-I1801 PolarHBondContact O-N 2.83Å |
| 1798 | L | 89.8 | Confident | 86.2 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | -176.1 | -70.5 | -176.9 | 0 | 0 | 0 | 112.2 | L1794 I1801 I1802 | L1794-L1798 HydrophobicContact CD2-CD1 3.54Å; L1794-L1798 HydrophobicContact CD2-CG 4.33Å; L1794-L1798 HydrophobicContact CG-CD1 3.95Å; L1794-L1798 HydrophobicContact CG-CG 4.32Å; L1794-L1798 WeakPolarHBondContact O-CB 2.98Å; L1794-L1798 WeakPolarHBondContact O-CG 3.44Å; L1794-L1798 PolarHBondContact O-N 2.89Å; L1798-I1801 PolarHBondContact O-N 2.78Å; L1798-I1802 WeakPolarHBondContact O-CB 3.26Å; L1798-I1802 WeakPolarHBondContact O-CD1 3.36Å; L1798-I1802 WeakPolarHBondContact O-CG1 3.49Å; L1798-I1802 PolarHBondContact O-N 2.77Å |
| 1799 | L | 89.2 | Confident | 84.8 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -36.1 | 178.6 | -65.4 | 171.9 | 0 | 0 | 0 | 111.8 | S1678 L1679 L1682 H1795 I1797 I1802 V1803 | S1678-L1799 VanDerWaalsContact CB-CB 3.48Å; L1679-L1799 HydrophobicContact CB-CD1 4.12Å; L1679-L1799 HydrophobicContact CD1-CD1 3.99Å; L1682-L1799 HydrophobicContact CD1-CD2 4.16Å; H1795-L1799 HydrophobicContact CB-CD1 4.24Å; H1795-L1799 WeakPolarHBondContact O-CB 3.36Å; H1795-L1799 WeakPolarHBondContact O-CG 3.36Å; H1795-L1799 PolarHBondContact O-N 3.35Å; I1797-L1799 PolarHBondContact O-N 3.07Å; L1799-I1802 PolarHBondContact O-N 2.58Å; L1799-V1803 WeakPolarHBondContact O-CG2 3.3Å; L1799-V1803 PolarHBondContact O-N 2.84Å |
| 1800 | F | 89.4 | Confident | 83.2 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.2 | -40.2 | 175.2 | -169.5 | -109.6 | 0 | 0 | 0 | 112 | Y1630 S1796 I1797 I1802 V1803 L1804 | Y1630-F1800 HydrophobicContact CD1-CE2 4.41Å; Y1630-F1800 AromaticContact CD2-CD2 3.84Å; Y1630-F1800 HydrophobicContact CD2-CD2 3.84Å; Y1630-F1800 AromaticContact CD2-CE2 3.93Å; Y1630-F1800 HydrophobicContact CD2-CE2 3.93Å; Y1630-F1800 HydrophobicContact CE2-CD2 4.14Å; Y1630-F1800 HydrophobicContact CG-CD2 4.11Å; Y1630-F1800 AromaticContact CG-CE2 3.8Å; Y1630-F1800 HydrophobicContact CG-CE2 3.8Å; Y1630-F1800 HydrophobicContact CG-CZ 4.46Å; S1796-F1800 WeakPolarHBondContact O-CB 3.07Å; S1796-F1800 PolarHBondContact O-N 2.73Å; S1796-F1800 VanDerWaalsContact O-N 3.12Å; I1797-F1800 PolarHBondContact O-N 3.04Å; F1800-I1802 VanDerWaalsContact C-N 3.29Å; F1800-I1802 PolarHBondContact O-N 3.3Å; F1800-V1803 PolarHBondContact O-N 2.58Å; F1800-L1804 HydrophobicContact CD1-CD1 3.96Å; F1800-L1804 HydrophobicContact CD1-CG 4.38Å; F1800-L1804 HydrophobicContact CE1-CD1 3.6Å; F1800-L1804 HydrophobicContact CE1-CG 4.09Å; F1800-L1804 HydrophobicContact CZ-CD1 4.24Å; F1800-L1804 HydrophobicContact CZ-CD2 4.42Å; F1800-L1804 HydrophobicContact CZ-CG 4.33Å; F1800-L1804 PolarHBondContact O-N 3.07Å |
| 1801 | I | 88.2 | Confident | 81.4 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 169.9 | -70.6 | 171.9 | 0 | 0 | 0 | 110.1 | I1797 L1798 V1803 L1804 L1805 | I1797-I1801 HydrophobicContact CG2-CD1 3.67Å; I1797-I1801 HydrophobicContact CG2-CG1 4.45Å; I1797-I1801 WeakPolarHBondContact O-CB 3.43Å; I1797-I1801 VanDerWaalsContact O-CG1 3.29Å; I1797-I1801 WeakPolarHBondContact O-CG1 3.45Å; I1797-I1801 PolarHBondContact O-N 2.83Å; L1798-I1801 PolarHBondContact O-N 2.78Å; I1801-V1803 PolarHBondContact O-N 3.19Å; I1801-L1804 PolarHBondContact O-N 2.77Å; I1801-L1805 HydrophobicContact CG2-CD1 3.77Å; I1801-L1805 HydrophobicContact CG2-CG 4.08Å; I1801-L1805 WeakPolarHBondContact O-CB 3.45Å; I1801-L1805 VanDerWaalsContact O-CG 3.24Å; I1801-L1805 WeakPolarHBondContact O-CG 3.35Å; I1801-L1805 PolarHBondContact O-N 3.48Å |
| 1802 | I | 87 | Confident | 79.5 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 174.9 | -70.5 | 162 | 0 | 0 | 0 | 111.4 | L1682 L1798 L1799 F1800 L1805 L1806 | L1682-I1802 HydrophobicContact CD1-CG2 3.67Å; L1798-I1802 WeakPolarHBondContact O-CB 3.26Å; L1798-I1802 WeakPolarHBondContact O-CD1 3.36Å; L1798-I1802 WeakPolarHBondContact O-CG1 3.49Å; L1798-I1802 PolarHBondContact O-N 2.77Å; L1799-I1802 PolarHBondContact O-N 2.58Å; F1800-I1802 VanDerWaalsContact C-N 3.29Å; F1800-I1802 PolarHBondContact O-N 3.3Å; I1802-L1805 PolarHBondContact O-N 2.99Å; I1802-L1806 HydrophobicContact CG2-CD1 3.83Å; I1802-L1806 HydrophobicContact CG2-CG 4.11Å; I1802-L1806 VanDerWaalsContact O-CB 3.24Å; I1802-L1806 WeakPolarHBondContact O-CB 3.37Å; I1802-L1806 WeakPolarHBondContact O-CG 3.36Å; I1802-L1806 PolarHBondContact O-N 2.81Å |
| 1803 | V | 86.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 173.9 | 167.5 | 0 | 0 | 0 | 0 | 111.7 | W1626 L1682 F1685 L1799 F1800 I1801 L1806 E1807 | W1626-V1803 HydrophobicContact CD2-CG1 3.94Å; W1626-V1803 HydrophobicContact CE3-CG1 4.2Å; W1626-V1803 HydrophobicContact CG-CG1 4.31Å; W1626-V1803 HydrophobicContact CZ2-CG1 4.3Å; W1626-V1803 HydrophobicContact CZ3-CG1 4.5Å; L1682-V1803 HydrophobicContact CB-CG2 4.03Å; F1685-V1803 HydrophobicContact CE2-CG1 4.34Å; L1799-V1803 WeakPolarHBondContact O-CG2 3.3Å; L1799-V1803 PolarHBondContact O-N 2.84Å; F1800-V1803 PolarHBondContact O-N 2.58Å; I1801-V1803 PolarHBondContact O-N 3.19Å; V1803-L1806 PolarHBondContact O-N 3.28Å; V1803-E1807 PolarHBondContact O-N 2.88Å |
| 1804 | L | 85.1 | Confident | 75.4 | Confident | 52 Ų | 52 | 66 Ų | 66 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 176 | -68.6 | 178.9 | 0 | 0 | 0 | 112.4 | W1626 F1800 I1801 K1808 | W1626-L1804 HydrophobicContact CB-CD2 4.01Å; W1626-L1804 HydrophobicContact CG-CD2 4.47Å; F1800-L1804 HydrophobicContact CD1-CD1 3.96Å; F1800-L1804 HydrophobicContact CD1-CG 4.38Å; F1800-L1804 HydrophobicContact CE1-CD1 3.6Å; F1800-L1804 HydrophobicContact CE1-CG 4.09Å; F1800-L1804 HydrophobicContact CZ-CD1 4.24Å; F1800-L1804 HydrophobicContact CZ-CD2 4.42Å; F1800-L1804 HydrophobicContact CZ-CG 4.33Å; F1800-L1804 PolarHBondContact O-N 3.07Å; I1801-L1804 PolarHBondContact O-N 2.77Å; L1804-K1808 PolarHBondContact O-N 2.97Å |
| 1805 | L | 82.6 | Confident | 73.3 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 172.3 | -76.8 | 177.4 | 0 | 0 | 0 | 110 | I1801 I1802 E1807 K1808 Q1809 | I1801-L1805 HydrophobicContact CG2-CD1 3.77Å; I1801-L1805 HydrophobicContact CG2-CG 4.08Å; I1801-L1805 WeakPolarHBondContact O-CB 3.45Å; I1801-L1805 VanDerWaalsContact O-CG 3.24Å; I1801-L1805 WeakPolarHBondContact O-CG 3.35Å; I1801-L1805 PolarHBondContact O-N 3.48Å; I1802-L1805 PolarHBondContact O-N 2.99Å; L1805-E1807 VanDerWaalsContact C-N 3.31Å; L1805-E1807 PolarHBondContact O-N 3.25Å; L1805-K1808 CarbonylContact O-C 3.49Å; L1805-K1808 PolarHBondContact O-N 3.35Å; L1805-K1808 VanDerWaalsContact O-N 3.08Å; L1805-Q1809 HydrophobicContact CB-CG 4.46Å; L1805-Q1809 WeakPolarHBondContact O-CA 3.49Å; L1805-Q1809 WeakPolarHBondContact O-CB 3.46Å; L1805-Q1809 VanDerWaalsContact O-CG 3.23Å; L1805-Q1809 WeakPolarHBondContact O-CG 3.37Å; L1805-Q1809 PolarHBondContact O-N 3.21Å |
| 1806 | L | 78.4 | Confident | 71.3 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 19% | 0.194 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -34.4 | 178.3 | -76.1 | 173.5 | 0 | 0 | 0 | 112.4 | L1682 I1802 V1803 Q1809 F1810 | L1682-L1806 HydrophobicContact CG-CD1 4.26Å; I1802-L1806 HydrophobicContact CG2-CD1 3.83Å; I1802-L1806 HydrophobicContact CG2-CG 4.11Å; I1802-L1806 VanDerWaalsContact O-CB 3.24Å; I1802-L1806 WeakPolarHBondContact O-CB 3.37Å; I1802-L1806 WeakPolarHBondContact O-CG 3.36Å; I1802-L1806 PolarHBondContact O-N 2.81Å; V1803-L1806 PolarHBondContact O-N 3.28Å; L1806-Q1809 PolarHBondContact O-N 3.44Å; L1806-F1810 HydrophobicContact CB-CD2 4.34Å; L1806-F1810 HydrophobicContact CD2-CD2 4.19Å; L1806-F1810 HydrophobicContact CD2-CE2 4.01Å; L1806-F1810 WeakPolarHBondContact O-CB 3.38Å; L1806-F1810 WeakPolarHBondContact O-CD2 3.5Å; L1806-F1810 PolarHBondContact O-N 2.91Å |
| 1807 | E | 76.1 | Confident | 69.3 | Low | 44 Ų | 44 | 72.6 Ų | 72.6 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 172 | -166.2 | 81.6 | -169.7 | 0 | 0 | 111.4 | K1612 P1622 W1626 V1803 L1805 | K1612-E1807 VanDerWaalsContact CE-OE1 3.25Å; K1612-E1807 WeakPolarHBondContact CE-OE1 3.3Å; K1612-E1807 IonicContact NZ-OE1 3.53Å; K1612-E1807 PolarHBondContact NZ-OE1 2.94Å; K1612-E1807 IonicContact NZ-OE2 2.77Å; K1612-E1807 PolarHBondContact NZ-OE2 3Å; P1622-E1807 HydrophobicContact CB-CG 3.95Å; W1626-E1807 PolarHBondContact NE1-OE2 3.46Å; V1803-E1807 PolarHBondContact O-N 2.88Å; L1805-E1807 VanDerWaalsContact C-N 3.31Å; L1805-E1807 PolarHBondContact O-N 3.25Å |
| 1808 | K | 67.4 | Low | 67.1 | Low | 152 Ų | 152 | 73.4 Ų | 73.4 | 66% | 0.661 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -74.2 | -32 | 175 | -70.8 | -173.1 | 174.9 | -172.9 | 0 | 113.5 | L1804 L1805 Y1811 I1812 | L1804-K1808 PolarHBondContact O-N 2.97Å; L1805-K1808 CarbonylContact O-C 3.49Å; L1805-K1808 PolarHBondContact O-N 3.35Å; L1805-K1808 VanDerWaalsContact O-N 3.08Å; K1808-Y1811 VanDerWaalsContact O-CB 3.29Å; K1808-Y1811 WeakPolarHBondContact O-CB 3.25Å; K1808-I1812 WeakPolarHBondContact O-CG1 3.38Å; K1808-I1812 PolarHBondContact O-N 3.12Å; K1808-I1812 VanDerWaalsContact O-N 3.14Å |
| 1809 | Q | 56.1 | Low | 65 | Low | 74 Ų | 74 | 75.6 Ų | 75.6 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -96.5 | -19.2 | -170 | -71.7 | -175.9 | -7.3 | 0 | 0 | 112.3 | L1805 L1806 Y1811 I1812 I1813 | L1805-Q1809 HydrophobicContact CB-CG 4.46Å; L1805-Q1809 WeakPolarHBondContact O-CA 3.49Å; L1805-Q1809 WeakPolarHBondContact O-CB 3.46Å; L1805-Q1809 VanDerWaalsContact O-CG 3.23Å; L1805-Q1809 WeakPolarHBondContact O-CG 3.37Å; L1805-Q1809 PolarHBondContact O-N 3.21Å; L1806-Q1809 PolarHBondContact O-N 3.44Å; Q1809-Y1811 PolarHBondContact O-N 2.77Å; Q1809-I1812 PolarHBondContact O-N 2.88Å; Q1809-I1813 HydrophobicContact CB-CD1 3.97Å; Q1809-I1813 HydrophobicContact CB-CG1 4.29Å; Q1809-I1813 WeakPolarHBondContact O-CA 3.39Å; Q1809-I1813 WeakPolarHBondContact O-CB 3.49Å; Q1809-I1813 WeakPolarHBondContact O-CD1 3.44Å; Q1809-I1813 WeakPolarHBondContact O-CG1 3.47Å; Q1809-I1813 PolarHBondContact O-N 3.24Å |
| 1810 | F | 54.1 | Low | 63.1 | Low | 111 Ų | 111 | 83.9 Ų | 83.9 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -30.5 | 161.8 | -97.8 | -78.7 | 0 | 0 | 0 | 110.6 | L1806 Q1814 | L1806-F1810 HydrophobicContact CB-CD2 4.34Å; L1806-F1810 HydrophobicContact CD2-CD2 4.19Å; L1806-F1810 HydrophobicContact CD2-CE2 4.01Å; L1806-F1810 WeakPolarHBondContact O-CB 3.38Å; L1806-F1810 WeakPolarHBondContact O-CD2 3.5Å; L1806-F1810 PolarHBondContact O-N 2.91Å; F1810-Q1814 VanDerWaalsContact O-CB 3.28Å; F1810-Q1814 WeakPolarHBondContact O-CB 3.36Å; F1810-Q1814 WeakPolarHBondContact O-CG 3.36Å; F1810-Q1814 PolarHBondContact O-N 3.49Å; F1810-Q1814 VanDerWaalsContact O-N 3.11Å |
| 1811 | Y | 50.3 | Low | 61.1 | Low | 79 Ų | 79 | 86.1 Ų | 86.1 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.9 | -55.8 | 168.5 | -149 | -103.2 | 0 | 0 | 0 | 111.1 | K1808 Q1809 I1813 Q1814 I1815 K1928 | K1808-Y1811 VanDerWaalsContact O-CB 3.29Å; K1808-Y1811 WeakPolarHBondContact O-CB 3.25Å; Q1809-Y1811 PolarHBondContact O-N 2.77Å; Y1811-I1813 PolarHBondContact O-N 2.94Å; Y1811-Q1814 PolarHBondContact O-N 3.05Å; Y1811-I1815 HydrophobicContact CD1-CD1 4.02Å; Y1811-I1815 HydrophobicContact CE1-CD1 4.26Å; Y1811-I1815 WeakPolarHBondContact O-CG1 3.44Å; Y1811-I1815 PolarHBondContact O-N 3.28Å; Y1811-I1815 VanDerWaalsContact O-N 3.14Å; Y1811-K1928 HydrophobicContact CE2-CD 4.16Å; Y1811-K1928 WeakPolarHBondContact OH-CD 3.47Å |
| 1812 | I | 48.1 | Very low | 59 | Low | 82 Ų | 82 | 86.1 Ų | 86.1 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.8 | -32.9 | -176.8 | -62.4 | 162.1 | 0 | 0 | 0 | 113 | K1808 Q1809 I1815 I1816 | K1808-I1812 WeakPolarHBondContact O-CG1 3.38Å; K1808-I1812 PolarHBondContact O-N 3.12Å; K1808-I1812 VanDerWaalsContact O-N 3.14Å; Q1809-I1812 PolarHBondContact O-N 2.88Å; I1812-I1815 CarbonylContact O-C 3.58Å; I1812-I1815 WeakPolarHBondContact O-CB 3.42Å; I1812-I1815 PolarHBondContact O-N 3.25Å; I1812-I1816 HydrophobicContact CG2-CD1 3.59Å; I1812-I1816 HydrophobicContact CG2-CG1 4.07Å; I1812-I1816 WeakPolarHBondContact O-CB 3.26Å; I1812-I1816 WeakPolarHBondContact O-CG1 3.17Å; I1812-I1816 PolarHBondContact O-N 3.41Å |
| 1813 | I | 46.8 | Very low | 56.8 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 41% | 0.41 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -77.8 | -32.2 | 176.8 | -63.7 | 166.5 | 0 | 0 | 0 | 110.5 | Q1809 Y1811 I1815 I1816 H1817 | Q1809-I1813 HydrophobicContact CB-CD1 3.97Å; Q1809-I1813 HydrophobicContact CB-CG1 4.29Å; Q1809-I1813 WeakPolarHBondContact O-CA 3.39Å; Q1809-I1813 WeakPolarHBondContact O-CB 3.49Å; Q1809-I1813 WeakPolarHBondContact O-CD1 3.44Å; Q1809-I1813 WeakPolarHBondContact O-CG1 3.47Å; Q1809-I1813 PolarHBondContact O-N 3.24Å; Y1811-I1813 PolarHBondContact O-N 2.94Å; I1813-I1815 PolarHBondContact O-N 2.88Å; I1813-I1816 PolarHBondContact O-N 2.9Å; I1813-H1817 HydrophobicContact CG2-CB 4.3Å; I1813-H1817 WeakPolarHBondContact O-CA 3.38Å; I1813-H1817 WeakPolarHBondContact O-CB 3.49Å; I1813-H1817 PolarHBondContact O-N 3.28Å |
| 1814 | Q | 48.3 | Very low | 54.7 | Low | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 164.8 | -79.8 | 178.6 | 30.2 | 0 | 0 | 110.8 | F1810 Y1811 W1818 T1911 | F1810-Q1814 VanDerWaalsContact O-CB 3.28Å; F1810-Q1814 WeakPolarHBondContact O-CB 3.36Å; F1810-Q1814 WeakPolarHBondContact O-CG 3.36Å; F1810-Q1814 PolarHBondContact O-N 3.49Å; F1810-Q1814 VanDerWaalsContact O-N 3.11Å; Y1811-Q1814 PolarHBondContact O-N 3.05Å; Q1814-W1818 WeakPolarHBondContact O-CB 3.33Å; Q1814-W1818 PolarHBondContact O-N 3.03Å; Q1814-T1911 PolarHBondContact OE1-OG1 2.86Å |
| 1815 | I | 47.4 | Very low | 52.6 | Low | 65 Ų | 65 | 105.4 Ų | 105.4 | 33% | 0.333 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.5 | -43.7 | 176.3 | -64.1 | 162.7 | 0 | 0 | 0 | 112.4 | Y1811 I1812 I1813 K1819 | Y1811-I1815 HydrophobicContact CD1-CD1 4.02Å; Y1811-I1815 HydrophobicContact CE1-CD1 4.26Å; Y1811-I1815 WeakPolarHBondContact O-CG1 3.44Å; Y1811-I1815 PolarHBondContact O-N 3.28Å; Y1811-I1815 VanDerWaalsContact O-N 3.14Å; I1812-I1815 CarbonylContact O-C 3.58Å; I1812-I1815 WeakPolarHBondContact O-CB 3.42Å; I1812-I1815 PolarHBondContact O-N 3.25Å; I1813-I1815 PolarHBondContact O-N 2.88Å; I1815-K1819 WeakPolarHBondContact O-CB 3.44Å; I1815-K1819 WeakPolarHBondContact O-CG 3.35Å; I1815-K1819 PolarHBondContact O-N 3.47Å |
| 1816 | I | 48.4 | Very low | 50.5 | Low | 92 Ų | 92 | 110.3 Ų | 110.3 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.4 | -41.6 | -176.6 | -71.9 | 177.3 | 0 | 0 | 0 | 111.8 | I1812 I1813 W1818 K1819 R1820 | I1812-I1816 HydrophobicContact CG2-CD1 3.59Å; I1812-I1816 HydrophobicContact CG2-CG1 4.07Å; I1812-I1816 WeakPolarHBondContact O-CB 3.26Å; I1812-I1816 WeakPolarHBondContact O-CG1 3.17Å; I1812-I1816 PolarHBondContact O-N 3.41Å; I1813-I1816 PolarHBondContact O-N 2.9Å; I1816-W1818 VanDerWaalsContact C-N 3.28Å; I1816-W1818 PolarHBondContact O-N 3.41Å; I1816-K1819 PolarHBondContact O-N 2.87Å; I1816-R1820 WeakPolarHBondContact O-CB 3.38Å; I1816-R1820 PolarHBondContact O-N 2.66Å |
| 1817 | H | 45.4 | Very low | 48.7 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 174.2 | -164.6 | 75.5 | 0 | 0 | 0 | 110.2 | I1813 N1821 | I1813-H1817 HydrophobicContact CG2-CB 4.3Å; I1813-H1817 WeakPolarHBondContact O-CA 3.38Å; I1813-H1817 WeakPolarHBondContact O-CB 3.49Å; I1813-H1817 PolarHBondContact O-N 3.28Å; H1817-N1821 PolarHBondContact CD2-ND2 3.3Å; H1817-N1821 PolarHBondContact NE2-ND2 3.21Å; H1817-N1821 WeakPolarHBondContact O-CB 3.44Å; H1817-N1821 PolarHBondContact O-N 3.13Å; H1817-N1821 PolarHBondContact O-ND2 3Å; H1817-N1821 PolarHBondContact O-OD1 3.23Å |
| 1818 | W | 45.8 | Very low | 47.3 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 40% | 0.398 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -52.9 | 169.4 | -177.4 | 78.8 | 0 | 0 | 0 | 112.1 | Q1814 I1816 R1820 N1821 K1822 T1913 | Q1814-W1818 WeakPolarHBondContact O-CB 3.33Å; Q1814-W1818 PolarHBondContact O-N 3.03Å; I1816-W1818 VanDerWaalsContact C-N 3.28Å; I1816-W1818 PolarHBondContact O-N 3.41Å; W1818-R1820 PolarHBondContact O-N 3.02Å; W1818-N1821 PolarHBondContact O-N 2.99Å; W1818-K1822 HydrophobicContact CH2-CD 4.4Å; W1818-K1822 HydrophobicContact CZ2-CD 4.41Å; W1818-K1822 WeakPolarHBondContact O-CB 3.17Å; W1818-K1822 PolarHBondContact O-N 2.85Å; W1818-T1913 VanDerWaalsContact CZ2-O 3.29Å; W1818-T1913 WeakPolarHBondContact CZ2-O 3.43Å |
| 1819 | K | 45.7 | Very low | 46.1 | Very low | 135 Ų | 135 | 113.8 Ų | 113.8 | 59% | 0.587 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -56.5 | -44.1 | 176.5 | -80.6 | -171.3 | 175.1 | -170.4 | 0 | 112.8 | I1815 I1816 K1822 F1823 | I1815-K1819 WeakPolarHBondContact O-CB 3.44Å; I1815-K1819 WeakPolarHBondContact O-CG 3.35Å; I1815-K1819 PolarHBondContact O-N 3.47Å; I1816-K1819 PolarHBondContact O-N 2.87Å; K1819-K1822 VanDerWaalsContact O-CB 3.29Å; K1819-K1822 WeakPolarHBondContact O-CB 3.16Å; K1819-K1822 PolarHBondContact O-N 3.41Å; K1819-F1823 PolarHBondContact O-N 2.89Å |
| 1820 | R | 47.8 | Very low | 44.9 | Very low | 197 Ų | 197 | 113.1 Ų | 113.1 | 74% | 0.743 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.8 | -32.8 | -176.5 | -167.7 | 169.5 | 179.9 | 164.3 | -0.7 | 112.8 | I1816 W1818 F1823 | I1816-R1820 WeakPolarHBondContact O-CB 3.38Å; I1816-R1820 PolarHBondContact O-N 2.66Å; W1818-R1820 PolarHBondContact O-N 3.02Å; R1820-F1823 PolarHBondContact O-N 3.44Å |
| 1821 | N | 48 | Very low | 43.7 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 42% | 0.422 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.8 | -31.1 | 171.9 | -67.1 | -4.1 | 0 | 0 | 0 | 111.8 | H1817 W1818 F1823 K1824 W1825 | H1817-N1821 PolarHBondContact CD2-ND2 3.3Å; H1817-N1821 PolarHBondContact NE2-ND2 3.21Å; H1817-N1821 WeakPolarHBondContact O-CB 3.44Å; H1817-N1821 PolarHBondContact O-N 3.13Å; H1817-N1821 PolarHBondContact O-ND2 3Å; H1817-N1821 PolarHBondContact O-OD1 3.23Å; W1818-N1821 PolarHBondContact O-N 2.99Å; N1821-F1823 PolarHBondContact O-N 3.44Å; N1821-K1824 PolarHBondContact O-N 3.31Å; N1821-W1825 PolarHBondContact O-N 3.26Å |
| 1822 | K | 44.5 | Very low | 43 | Very low | 79 Ų | 79 | 118 Ų | 118 | 34% | 0.343 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -51.3 | -44 | 169.8 | -137.7 | -178.2 | -179 | -167.6 | 0 | 110.8 | W1818 K1819 K1824 W1825 W1826 | W1818-K1822 HydrophobicContact CH2-CD 4.4Å; W1818-K1822 HydrophobicContact CZ2-CD 4.41Å; W1818-K1822 WeakPolarHBondContact O-CB 3.17Å; W1818-K1822 PolarHBondContact O-N 2.85Å; K1819-K1822 VanDerWaalsContact O-CB 3.29Å; K1819-K1822 WeakPolarHBondContact O-CB 3.16Å; K1819-K1822 PolarHBondContact O-N 3.41Å; K1822-K1824 VanDerWaalsContact C-N 3.28Å; K1822-K1824 PolarHBondContact O-N 2.92Å; K1822-W1825 PolarHBondContact O-N 3.22Å; K1822-W1826 PolarHBondContact O-N 3.07Å; K1822-W1826 VanDerWaalsContact O-N 3.07Å |
| 1823 | F | 41.7 | Very low | 42.2 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.4 | -16.6 | 178.8 | -137.8 | -86.1 | 0 | 0 | 0 | 115.1 | K1819 R1820 N1821 | K1819-F1823 PolarHBondContact O-N 2.89Å; R1820-F1823 PolarHBondContact O-N 3.44Å; N1821-F1823 PolarHBondContact O-N 3.44Å |
| 1824 | K | 40.9 | Very low | 41.7 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 79% | 0.787 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -98.9 | -26 | 171.8 | -107.8 | -168.6 | 174.9 | -169.6 | 0 | 113.4 | N1821 K1822 | N1821-K1824 PolarHBondContact O-N 3.31Å; K1822-K1824 VanDerWaalsContact C-N 3.28Å; K1822-K1824 PolarHBondContact O-N 2.92Å |
| 1825 | W | 41 | Very low | 40.8 | Very low | 186 Ų | 186 | 124.3 Ų | 124.3 | 71% | 0.705 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -80.8 | -36.8 | -179.4 | -162.4 | 59.7 | 0 | 0 | 0 | 112.3 | N1821 K1822 N1827 G1828 | N1821-W1825 PolarHBondContact O-N 3.26Å; K1822-W1825 PolarHBondContact O-N 3.22Å; W1825-N1827 VanDerWaalsContact C-N 3.33Å; W1825-N1827 PolarHBondContact O-N 3.33Å; W1825-G1828 PolarHBondContact O-N 3.13Å; W1825-G1828 VanDerWaalsContact O-N 3.15Å |
| 1826 | W | 37.7 | Very low | 40.1 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 66% | 0.659 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -62.2 | -36.1 | 177.5 | -88.6 | 40.6 | 0 | 0 | 0 | 113.4 | K1822 G1828 V1829 | K1822-W1826 PolarHBondContact O-N 3.07Å; K1822-W1826 VanDerWaalsContact O-N 3.07Å; W1826-G1828 PolarHBondContact O-N 3.39Å; W1826-G1828 VanDerWaalsContact O-N 3.16Å; W1826-V1829 PolarHBondContact O-N 3.44Å |
| 1827 | N | 42.1 | Very low | 39.3 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -72.7 | -3.9 | 178.2 | -66.5 | 20.8 | 0 | 0 | 0 | 113.9 | W1825 | W1825-N1827 VanDerWaalsContact C-N 3.33Å; W1825-N1827 PolarHBondContact O-N 3.33Å |
| 1828 | G | 46.9 | Very low | 39 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -111.8 | -2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | W1825 W1826 | W1825-G1828 PolarHBondContact O-N 3.13Å; W1825-G1828 VanDerWaalsContact O-N 3.15Å; W1826-G1828 PolarHBondContact O-N 3.39Å; W1826-G1828 VanDerWaalsContact O-N 3.16Å |
| 1829 | V | 41.8 | Very low | 38.7 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 61% | 0.606 | 68% | 0.677 | S | S | * | * | trans | -133.4 | 57.7 | -177.7 | -165.4 | 0 | 0 | 0 | 0 | 109.8 | W1826 | W1826-V1829 PolarHBondContact O-N 3.44Š| ||
| 1830 | G | 30.2 | Very low | 38.2 | Very low | 61 Ų | 61 | 129.1 Ų | 129.1 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | trans | -75.8 | 150.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1831 | N | 29.5 | Very low | 37.8 | Very low | 160 Ų | 160 | 125 Ų | 125 | 86% | 0.856 | 66% | 0.661 | S | S | * | * | trans | 66.7 | 75 | 170.7 | -55.3 | -10.3 | 0 | 0 | 0 | 116.9 | ||||
| 1832 | T | 34.7 | Very low | 37.6 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 68% | 0.675 | S | S | * | * | S | Bend | -165.2 | 139.9 | 119.9 | 13.1 | 0 | 0 | 0 | 0 | 111.2 | |||
| 1833 | H | 32.2 | Very low | 37.4 | Very low | 183 Ų | 183 | 128 Ų | 128 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -31.8 | 127.1 | 179 | -40.9 | -84.5 | 0 | 0 | 0 | 113.8 | ||
| 1834 | V | 37 | Very low | 37.2 | Very low | 131 Ų | 131 | 125 Ų | 125 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | cis | -141.4 | 134.1 | 49.8 | 172 | 0 | 0 | 0 | 0 | 111.6 | I1836 | V1834-I1836 HydrophobicContact CG1-CD1 4.09Š| ||
| 1835 | G | 28.9 | Very low | 37.4 | Very low | 72 Ų | 72 | 121.9 Ų | 121.9 | 74% | 0.742 | 66% | 0.663 | S | S | * | * | trans | -135.8 | 122.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1836 | I | 31.9 | Very low | 37.3 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | trans | -138.4 | 121.4 | 165.3 | -80.3 | 101.8 | 0 | 0 | 0 | 107.7 | V1834 | V1834-I1836 HydrophobicContact CG1-CD1 4.09Š| ||
| 1837 | H | 32.7 | Very low | 37.1 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 53% | 0.532 | 67% | 0.671 | S | S | . | * | trans | 38.5 | 89.8 | 154.2 | -67.8 | -107.8 | 0 | 0 | 0 | 118.6 | T1839 D1840 | H1837-T1839 PolarHBondContact O-N 3.38Å; H1837-D1840 HydrophobicContact CB-CB 4.08Å; H1837-D1840 IonicContact CE1-OD1 3.73Å; H1837-D1840 IonicContact CE1-OD2 2.7Å; H1837-D1840 IonicContact CG-OD1 2.8Å; H1837-D1840 IonicContact CG-OD2 2.74Å; H1837-D1840 IonicContact ND1-OD1 3.47Å; H1837-D1840 PolarHBondContact ND1-OD1 3.08Å; H1837-D1840 IonicContact ND1-OD2 2.69Å; H1837-D1840 PolarHBondContact ND1-OD2 3.34Å | ||
| 1838 | Y | 37.4 | Very low | 36.8 | Very low | 182 Ų | 182 | 121.3 Ų | 121.3 | 71% | 0.714 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -80.8 | 13.1 | 159.2 | -100.3 | -91.9 | 0 | 0 | 0 | 113.4 | H1914 | Y1838-H1914 PolarHBondContact OH-CE1 2.89Š|
| 1839 | T | 39.5 | Very low | 36.3 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -116.2 | -15 | -172 | 42.1 | 0 | 0 | 0 | 0 | 114.3 | H1837 | H1837-T1839 PolarHBondContact O-N 3.38Š|
| 1840 | D | 36.6 | Very low | 36 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 42% | 0.417 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -110.7 | 0.5 | -163 | -63.3 | 39.4 | 0 | 0 | 0 | 113 | H1837 S1843 N1844 | H1837-D1840 HydrophobicContact CB-CB 4.08Å; H1837-D1840 IonicContact CE1-OD1 3.73Å; H1837-D1840 IonicContact CE1-OD2 2.7Å; H1837-D1840 IonicContact CG-OD1 2.8Å; H1837-D1840 IonicContact CG-OD2 2.74Å; H1837-D1840 IonicContact ND1-OD1 3.47Å; H1837-D1840 PolarHBondContact ND1-OD1 3.08Å; H1837-D1840 IonicContact ND1-OD2 2.69Å; H1837-D1840 PolarHBondContact ND1-OD2 3.34Å; D1840-S1843 PolarHBondContact O-OG 3.03Å; D1840-N1844 PolarHBondContact O-ND2 3.36Å |
| 1841 | L | 39.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 58% | 0.581 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -99.7 | -24.8 | 176.9 | -91.8 | 162 | 0 | 0 | 0 | 113.4 | S1843 N1844 I1845 | L1841-S1843 VanDerWaalsContact C-N 3.25Å; L1841-S1843 PolarHBondContact O-N 2.88Å; L1841-N1844 PolarHBondContact O-N 3.25Å; L1841-I1845 HydrophobicContact CB-CD1 4.38Å; L1841-I1845 HydrophobicContact CD2-CD1 4.35Å; L1841-I1845 HydrophobicContact CD2-CG1 4.4Å; L1841-I1845 WeakPolarHBondContact O-CG1 3.26Å; L1841-I1845 PolarHBondContact O-N 3.33Å |
| 1842 | E | 41.9 | Very low | 36.4 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 71% | 0.71 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -66.5 | -29.2 | 176.4 | -64.1 | -168.9 | 140.8 | 0 | 0 | 111.9 | ||
| 1843 | S | 40.5 | Very low | 36.6 | Very low | 68 Ų | 68 | 130.8 Ų | 130.8 | 48% | 0.476 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -76.7 | -18.9 | 173.8 | 56 | 0 | 0 | 0 | 0 | 114.8 | D1840 L1841 | D1840-S1843 PolarHBondContact O-OG 3.03Å; L1841-S1843 VanDerWaalsContact C-N 3.25Å; L1841-S1843 PolarHBondContact O-N 2.88Å |
| 1844 | N | 37.6 | Very low | 37.5 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 52% | 0.524 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -104.2 | -28.5 | -176.1 | -77.5 | -59.4 | 0 | 0 | 0 | 113.2 | D1840 L1841 Q1846 | D1840-N1844 PolarHBondContact O-ND2 3.36Å; L1841-N1844 PolarHBondContact O-N 3.25Å; N1844-Q1846 VanDerWaalsContact C-N 3.35Å |
| 1845 | I | 44.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 59% | 0.59 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.9 | -28.2 | 176.9 | -68.8 | 170.5 | 0 | 0 | 0 | 111.6 | L1841 K1847 | L1841-I1845 HydrophobicContact CB-CD1 4.38Å; L1841-I1845 HydrophobicContact CD2-CD1 4.35Å; L1841-I1845 HydrophobicContact CD2-CG1 4.4Å; L1841-I1845 WeakPolarHBondContact O-CG1 3.26Å; L1841-I1845 PolarHBondContact O-N 3.33Å; I1845-K1847 PolarHBondContact O-N 2.89Å; I1845-K1847 VanDerWaalsContact O-N 3.1Å |
| 1846 | Q | 40.5 | Very low | 40.2 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 8.9 | 178.2 | -69.9 | -174 | -15.1 | 0 | 0 | 115.3 | N1844 | N1844-Q1846 VanDerWaalsContact C-N 3.35Š|
| 1847 | K | 32.7 | Very low | 42.4 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 73% | 0.726 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 8.7 | -175.3 | -72.2 | -173.2 | 175.3 | -179.9 | 0 | 115.7 | I1845 | I1845-K1847 PolarHBondContact O-N 2.89Å; I1845-K1847 VanDerWaalsContact O-N 3.1Å |
| 1848 | I | 36.8 | Very low | 44.8 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 77% | 0.774 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -137.5 | 34.8 | -179.1 | -32.1 | 179.9 | 0 | 0 | 0 | 112.4 | ||
| 1849 | E | 35.8 | Very low | 47.2 | Very low | 182 Ų | 182 | 116.5 Ų | 116.5 | 85% | 0.85 | 60% | 0.602 | S | S | * | * | trans | -123.5 | 33.9 | 170.5 | -67.9 | -159.3 | 145.1 | 0 | 0 | 112.8 | S1851 | E1849-S1851 PolarHBondContact O-N 3.16Š| ||
| 1850 | D | 35 | Very low | 49.5 | Very low | 155 Ų | 155 | 113.4 Ų | 113.4 | 83% | 0.829 | 58% | 0.582 | S | S | * | * | trans | -67.3 | 96.5 | 163.7 | -88.8 | -41.7 | 0 | 0 | 0 | 110.6 | ||||
| 1851 | S | 32.2 | Very low | 52 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 33.2 | 142.9 | 149.2 | 73.1 | 0 | 0 | 0 | 0 | 122.3 | E1849 | E1849-S1851 PolarHBondContact O-N 3.16Š|
| 1852 | S | 35.4 | Very low | 54.1 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 83% | 0.832 | 56% | 0.557 | S | S | * | * | trans | 92.3 | -12.4 | 153.3 | 82.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1853 | L | 40.4 | Very low | 56.1 | Low | 168 Ų | 168 | 104.8 Ų | 104.8 | 88% | 0.88 | 54% | 0.541 | S | S | * | . | trans | -106.2 | 144.7 | -178.2 | -70.8 | 169.8 | 0 | 0 | 0 | 115 | ||||
| 1854 | K | 50.4 | Low | 58.2 | Low | 198 Ų | 198 | 101.6 Ų | 101.6 | 86% | 0.861 | 52% | 0.519 | S | S | * | . | trans | -69.2 | 143.5 | -177.9 | -68.1 | 173.3 | -178.7 | 169 | 0 | 111.6 | K1856 | K1854-K1856 PolarHBondContact O-N 2.85Š| ||
| 1855 | P | 54.9 | Low | 60.4 | Low | 75 Ų | 75 | 97.8 Ų | 97.8 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | trans | -65.5 | 127 | 178.3 | 26.6 | -34.1 | 0 | 0 | 0 | 112 | Y1857 | P1855-Y1857 VanDerWaalsContact C-N 3.31Å; P1855-Y1857 PolarHBondContact O-N 3.42Å | ||
| 1856 | K | 67.3 | Low | 62.3 | Low | 153 Ų | 153 | 93 Ų | 93 | 67% | 0.665 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -68.5 | -25.3 | -178.1 | -170.4 | 174.1 | -177.4 | 177.6 | 0 | 114 | K1854 | K1854-K1856 PolarHBondContact O-N 2.85Š|
| 1857 | Y | 77.9 | Confident | 64.3 | Low | 88 Ų | 88 | 89.1 Ų | 89.1 | 35% | 0.345 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.4 | -178.4 | -56.3 | -74.9 | 0 | 0 | 0 | 110.6 | P1855 I1883 Q1884 | P1855-Y1857 VanDerWaalsContact C-N 3.31Å; P1855-Y1857 PolarHBondContact O-N 3.42Å; Y1857-I1883 WeakPolarHBondContact CA-O 3.45Å; Y1857-Q1884 HydrophobicContact CD1-CG 4.41Å; Y1857-Q1884 HydrophobicContact CE1-CG 4.4Å |
| 1858 | A | 84.1 | Confident | 66.4 | Low | 3 Ų | 3 | 84.7 Ų | 84.7 | 3% | 0.025 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1883 L1919 N1920 I2012 T2043 | A1858-I1883 PolarHBondContact N-O 2.99Å; A1858-L1919 CarbonylContact O-C 3.53Å; A1858-L1919 WeakPolarHBondContact O-CA 3.41Å; A1858-N1920 PolarHBondContact O-N 3.3Å; A1858-I2012 HydrophobicContact CB-CG1 4.34Å; A1858-I2012 WeakPolarHBondContact O-CD1 3.32Å; A1858-T2043 HydrophobicContact CB-CG2 3.58Å |
| 1859 | I | 87.7 | Confident | 67.4 | Low | 1 Ų | 1 | 89.4 Ų | 89.4 | 1% | 0.005 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.7 | 174.2 | -57.6 | 171.4 | 0 | 0 | 0 | 107.9 | V1861 T1882 I1883 L1906 L1919 I2012 L2014 | I1859-V1861 HydrophobicContact CG2-CG2 3.99Å; I1859-T1882 WeakPolarHBondContact O-CA 3.42Å; I1859-I1883 HydrophobicContact CB-CB 4.24Å; I1859-I1883 HydrophobicContact CB-CD1 4.35Å; I1859-I1883 HydrophobicContact CD1-CD1 3.95Å; I1859-I1883 PolarHBondContact O-N 3.45Å; I1859-L1906 HydrophobicContact CG2-CD2 3.92Å; I1859-L1919 HydrophobicContact CB-CD2 4.33Å; I1859-L1919 HydrophobicContact CG1-CD2 3.94Å; I1859-L1919 HydrophobicContact CG2-CD2 4.1Å; I1859-I2012 HydrophobicContact CD1-CG2 3.88Å; I1859-I2012 HydrophobicContact CG1-CD1 4.27Å; I1859-I2012 HydrophobicContact CG1-CG2 4.24Å; I1859-L2014 HydrophobicContact CD1-CD2 4.33Å |
| 1860 | N | 88.5 | Confident | 68.8 | Low | 33 Ų | 33 | 86.7 Ų | 86.7 | 18% | 0.176 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 106.1 | 175.9 | -175.3 | -14.4 | 0 | 0 | 0 | 109.6 | K1862 T1882 Y1918 | N1860-K1862 WeakPolarHBondContact OD1-CE 3.28Å; N1860-K1862 WeakPolarHBondContact OD1-CG 3.37Å; N1860-T1882 HydrophobicContact CB-CG2 4.49Å; N1860-Y1918 PolarHBondContact N-O 3.49Å; N1860-Y1918 PolarHBondContact O-N 3.11Å |
| 1861 | V | 87.2 | Confident | 70.3 | Confident | 4 Ų | 4 | 83.7 Ų | 83.7 | 2% | 0.024 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.8 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | I1859 V1864 L1879 N1880 L1881 L1906 I1917 | I1859-V1861 HydrophobicContact CG2-CG2 3.99Å; V1861-V1864 HydrophobicContact CG1-CB 3.67Å; V1861-V1864 HydrophobicContact CG1-CG2 3.49Å; V1861-V1864 VanDerWaalsContact CG1-CG2 3.49Å; V1861-L1879 HydrophobicContact CB-CD2 4.33Å; V1861-L1879 HydrophobicContact CG1-CD2 3.72Å; V1861-L1879 WeakPolarHBondContact CG1-O 3.33Å; V1861-N1880 WeakPolarHBondContact O-CA 3.03Å; V1861-L1881 HydrophobicContact CB-CB 4.04Å; V1861-L1881 HydrophobicContact CG2-CB 4.15Å; V1861-L1881 PolarHBondContact N-O 3.31Å; V1861-L1881 PolarHBondContact O-N 3.01Å; V1861-L1881 VanDerWaalsContact O-N 3.11Å; V1861-L1906 HydrophobicContact CG2-CD2 4.16Å; V1861-I1917 HydrophobicContact CG1-CG1 4.09Å; V1861-I1917 HydrophobicContact CG2-CG1 4.22Å; V1861-I1917 HydrophobicContact CG2-CG2 4.18Å |
| 1862 | K | 84.8 | Confident | 71.9 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.3 | -177.2 | -61.9 | -176.1 | -178.5 | 177.1 | 0 | 111.3 | N1860 V1864 G1915 H1916 Y1918 | N1860-K1862 WeakPolarHBondContact OD1-CE 3.28Å; N1860-K1862 WeakPolarHBondContact OD1-CG 3.37Å; K1862-V1864 VanDerWaalsContact C-N 3.32Å; K1862-V1864 PolarHBondContact O-N 2.93Å; K1862-G1915 CarbonylContact O-C 3.56Å; K1862-G1915 WeakPolarHBondContact O-CA 3.42Å; K1862-H1916 PolarHBondContact N-O 3.46Å; K1862-H1916 PolarHBondContact O-N 2.85Å; K1862-Y1918 HydrophobicContact CD-CE2 4.22Å |
| 1863 | S | 83.4 | Confident | 73.6 | Confident | 54 Ų | 54 | 91.1 Ų | 91.1 | 38% | 0.378 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50 | 42 | 173.9 | -54.5 | 0 | 0 | 0 | 0 | 114.7 | C1865 L1879 N1880 G1915 | S1863-C1865 PolarHBondContact O-N 3.49Å; S1863-L1879 PolarHBondContact N-O 3.35Å; S1863-N1880 PolarHBondContact N-OD1 2.88Å; S1863-G1915 WeakPolarHBondContact O-CA 3.27Å |
| 1864 | V | 84.1 | Confident | 75.4 | Confident | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.006 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 116.1 | -171.1 | 166.5 | 0 | 0 | 0 | 0 | 113.1 | V1861 K1862 Q1878 L1879 M1905 I1912 H1914 H1916 I1917 | V1861-V1864 HydrophobicContact CG1-CB 3.67Å; V1861-V1864 HydrophobicContact CG1-CG2 3.49Å; V1861-V1864 VanDerWaalsContact CG1-CG2 3.49Å; K1862-V1864 VanDerWaalsContact C-N 3.32Å; K1862-V1864 PolarHBondContact O-N 2.93Å; V1864-Q1878 PolarHBondContact O-N 3.35Å; V1864-L1879 PolarHBondContact N-O 3.08Å; V1864-L1879 PolarHBondContact O-N 3.45Å; V1864-M1905 HydrophobicContact CG1-CE 3.58Å; V1864-M1905 HydrophobicContact CG1-SD 3.65Å; V1864-I1912 HydrophobicContact CG1-CG1 4.45Å; V1864-I1912 HydrophobicContact CG1-CG2 4.13Å; V1864-I1912 HydrophobicContact CG2-CG2 4.33Å; V1864-H1914 CarbonylContact C-O 3.45Å; V1864-H1914 VanDerWaalsContact CA-O 3.26Å; V1864-H1914 WeakPolarHBondContact CA-O 3.45Å; V1864-H1916 WeakPolarHBondContact CG2-O 3.42Å; V1864-I1917 HydrophobicContact CG2-CD1 4.37Å; V1864-I1917 HydrophobicContact CG2-CG1 3.82Å |
| 1865 | C | 84.9 | Confident | 76.9 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 140.7 | 170.2 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | S1863 V1876 D1877 Q1878 T1913 H1914 | S1863-C1865 PolarHBondContact O-N 3.49Å; C1865-V1876 CarbonylContact C-O 3.55Å; C1865-V1876 WeakPolarHBondContact CA-O 3.18Å; C1865-D1877 PolarHBondContact SG-OD1 2.92Å; C1865-Q1878 PolarHBondContact SG-N 3.13Å; C1865-T1913 VanDerWaalsContact C-OG1 3.24Å; C1865-T1913 PolarHBondContact O-N 2.96Å; C1865-T1913 PolarHBondContact O-OG1 2.98Å; C1865-H1914 HydrophobicContact CB-CB 3.92Å; C1865-H1914 PolarHBondContact N-O 3.29Å; C1865-H1914 PolarHBondContact O-N 3.23Å |
| 1866 | K | 84.4 | Confident | 78.3 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 7% | 0.065 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 108.4 | 164.9 | -172.4 | 56.8 | 179 | 174.7 | 0 | 111.7 | Y1868 T1875 V1876 M1905 T1911 T1913 | K1866-Y1868 VanDerWaalsContact CE-CZ 3.44Å; K1866-Y1868 HydrophobicContact CG-CD2 4.44Å; K1866-Y1868 HydrophobicContact CG-CE2 3.83Å; K1866-T1875 PolarHBondContact O-N 2.9Å; K1866-V1876 HydrophobicContact CB-CB 3.98Å; K1866-V1876 HydrophobicContact CB-CG2 4.24Å; K1866-V1876 PolarHBondContact N-O 2.89Å; K1866-V1876 PolarHBondContact O-N 3.15Å; K1866-M1905 HydrophobicContact CB-CE 4.04Å; K1866-M1905 HydrophobicContact CB-SD 3.76Å; K1866-M1905 HydrophobicContact CD-SD 4.35Å; K1866-M1905 HydrophobicContact CG-SD 4.22Å; K1866-T1911 WeakPolarHBondContact CD-O 3.47Å; K1866-T1911 WeakPolarHBondContact CE-O 3.44Å; K1866-T1911 PolarHBondContact NZ-O 3.32Å; K1866-T1913 VanDerWaalsContact CA-OG1 3.25Å; K1866-T1913 WeakPolarHBondContact CA-OG1 3.45Å; K1866-T1913 HydrophobicContact CD-CG2 4.24Å; K1866-T1913 PolarHBondContact N-OG1 3.23Å |
| 1867 | H | 82.6 | Confident | 79 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 41% | 0.407 | 33% | 0.325 | S | S | . | . | trans | -105.6 | 141 | 169.3 | -172.8 | 76.5 | 0 | 0 | 0 | 111 | Q1871 T1913 | H1867-Q1871 PolarHBondContact CE1-O 3.13Å; H1867-T1913 PolarHBondContact N-OG1 3Å; H1867-T1913 VanDerWaalsContact N-OG1 3.11Å | ||
| 1868 | Y | 76.2 | Confident | 79.2 | Confident | 74 Ų | 74 | 70 Ų | 70 | 29% | 0.29 | 34% | 0.337 | S | S | . | . | trans | -115.7 | 131.9 | 169.1 | -66.8 | -84.7 | 0 | 0 | 0 | 109.4 | K1866 S1870 Q1871 T1875 T1901 C1910 | K1866-Y1868 VanDerWaalsContact CE-CZ 3.44Å; K1866-Y1868 HydrophobicContact CG-CD2 4.44Å; K1866-Y1868 HydrophobicContact CG-CE2 3.83Å; Y1868-S1870 PolarHBondContact O-N 3.09Å; Y1868-Q1871 PolarHBondContact O-N 3.41Å; Y1868-T1875 VanDerWaalsContact CD2-OG1 3.29Å; Y1868-T1875 WeakPolarHBondContact CD2-OG1 3.49Å; Y1868-T1901 HydrophobicContact CE2-CG2 4Å; Y1868-C1910 PolarHBondContact OH-SG 2.89Å; Y1868-C1910 VanDerWaalsContact OH-SG 3.41Å | ||
| 1869 | W | 58.8 | Low | 79.2 | Confident | 250 Ų | 250 | 70.1 Ų | 70.1 | 95% | 0.947 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23.9 | -173.3 | -168.7 | 13 | 0 | 0 | 0 | 115.2 | ||
| 1870 | S | 65.1 | Low | 79.2 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 87% | 0.874 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.1 | 177.1 | -171.9 | 0 | 0 | 0 | 0 | 114.9 | Y1868 | Y1868-S1870 PolarHBondContact O-N 3.09Š|
| 1871 | Q | 65.7 | Low | 79.1 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | trans | -117.4 | 131.4 | -174.1 | -65.6 | -174 | -12.5 | 0 | 0 | 111.1 | H1867 Y1868 K1873 T1875 | H1867-Q1871 PolarHBondContact CE1-O 3.13Å; Y1868-Q1871 PolarHBondContact O-N 3.41Å; Q1871-K1873 VanDerWaalsContact C-N 3.27Å; Q1871-K1873 PolarHBondContact O-N 2.93Å; Q1871-T1875 PolarHBondContact OE1-OG1 3.06Å | ||
| 1872 | K | 65.9 | Low | 79.2 | Confident | 218 Ų | 218 | 77 Ų | 77 | 95% | 0.948 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -68.7 | -22.1 | 177.9 | -70.5 | -168 | 176.5 | -173.2 | 0 | 114 | ||
| 1873 | K | 71.3 | Confident | 79.4 | Confident | 152 Ų | 152 | 72 Ų | 72 | 66% | 0.661 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -113.1 | 149.6 | 176.8 | -68.1 | -171 | 175.6 | -171.9 | 0 | 109.7 | Q1871 | Q1871-K1873 VanDerWaalsContact C-N 3.27Å; Q1871-K1873 PolarHBondContact O-N 2.93Å |
| 1874 | P | 77.1 | Confident | 79.5 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 29% | 0.292 | 36% | 0.36 | S | S | . | . | trans | -60.9 | 152.1 | 166 | 28.4 | -34.2 | 0 | 0 | 0 | 110.9 | D1877 | P1874-D1877 HydrophobicContact CB-CB 4.07Å; P1874-D1877 HydrophobicContact CG-CB 3.76Å | ||
| 1875 | T | 82 | Confident | 79.4 | Confident | 20 Ų | 20 | 78 Ų | 78 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -94.6 | -24.8 | 178.9 | -33.8 | 0 | 0 | 0 | 0 | 112 | K1866 Y1868 Q1871 T1901 G2067 | K1866-T1875 PolarHBondContact O-N 2.9Å; Y1868-T1875 VanDerWaalsContact CD2-OG1 3.29Å; Y1868-T1875 WeakPolarHBondContact CD2-OG1 3.49Å; Q1871-T1875 PolarHBondContact OE1-OG1 3.06Å; T1875-T1901 HydrophobicContact CG2-CG2 4.36Å; T1875-G2067 VanDerWaalsContact O-CA 3.32Å; T1875-G2067 WeakPolarHBondContact O-CA 3.5Å |
| 1876 | V | 84.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 136.1 | 167.8 | -174.9 | 0 | 0 | 0 | 0 | 105.6 | C1865 K1866 L1879 I1902 M1905 G2067 | C1865-V1876 CarbonylContact C-O 3.55Å; C1865-V1876 WeakPolarHBondContact CA-O 3.18Å; K1866-V1876 HydrophobicContact CB-CB 3.98Å; K1866-V1876 HydrophobicContact CB-CG2 4.24Å; K1866-V1876 PolarHBondContact N-O 2.89Å; K1866-V1876 PolarHBondContact O-N 3.15Å; V1876-L1879 HydrophobicContact CG1-CB 3.59Å; V1876-L1879 HydrophobicContact CG1-CD1 3.79Å; V1876-L1879 HydrophobicContact CG1-CG 4.29Å; V1876-I1902 HydrophobicContact CG1-CG1 4.21Å; V1876-I1902 HydrophobicContact CG2-CG1 3.86Å; V1876-M1905 HydrophobicContact CB-CE 4.05Å; V1876-M1905 HydrophobicContact CG1-CE 4.06Å; V1876-M1905 HydrophobicContact CG2-CE 3.87Å; V1876-G2067 WeakPolarHBondContact CA-O 3.15Å |
| 1877 | D | 83.4 | Confident | 79.3 | Confident | 48 Ų | 48 | 78.2 Ų | 78.2 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 122.2 | -174.9 | -159.8 | 17.5 | 0 | 0 | 0 | 112.3 | C1865 P1874 L1879 G2067 Q2068 | C1865-D1877 PolarHBondContact SG-OD1 2.92Å; P1874-D1877 HydrophobicContact CB-CB 4.07Å; P1874-D1877 HydrophobicContact CG-CB 3.76Å; D1877-L1879 PolarHBondContact O-N 3.08Å; D1877-G2067 PolarHBondContact N-O 3.07Å; D1877-Q2068 HydrophobicContact CB-CG 4.44Å; D1877-Q2068 WeakPolarHBondContact O-CG 3.35Å; D1877-Q2068 PolarHBondContact O-NE2 2.84Å |
| 1878 | Q | 81.4 | Confident | 79.7 | Confident | 126 Ų | 126 | 74 Ų | 74 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45.7 | 35.9 | -178.2 | -59 | -172.2 | -5.4 | 0 | 0 | 114.5 | V1864 C1865 N1880 | V1864-Q1878 PolarHBondContact O-N 3.35Å; C1865-Q1878 PolarHBondContact SG-N 3.13Å; Q1878-N1880 PolarHBondContact O-N 3.32Å |
| 1879 | L | 85.2 | Confident | 80.4 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125.3 | -174.3 | -172.8 | 141.3 | 0 | 0 | 0 | 111.1 | V1861 S1863 V1864 V1876 D1877 L1881 I1902 L2064 I2069 | V1861-L1879 HydrophobicContact CB-CD2 4.33Å; V1861-L1879 HydrophobicContact CG1-CD2 3.72Å; V1861-L1879 WeakPolarHBondContact CG1-O 3.33Å; S1863-L1879 PolarHBondContact N-O 3.35Å; V1864-L1879 PolarHBondContact N-O 3.08Å; V1864-L1879 PolarHBondContact O-N 3.45Å; V1876-L1879 HydrophobicContact CG1-CB 3.59Å; V1876-L1879 HydrophobicContact CG1-CD1 3.79Å; V1876-L1879 HydrophobicContact CG1-CG 4.29Å; D1877-L1879 PolarHBondContact O-N 3.08Å; L1879-L1881 HydrophobicContact CD2-CB 3.9Å; L1879-I1902 HydrophobicContact CD1-CD1 3.48Å; L1879-I1902 VanDerWaalsContact CD1-CD1 3.48Å; L1879-I1902 HydrophobicContact CD1-CG1 4.05Å; L1879-L2064 HydrophobicContact CD1-CD1 3.82Å; L1879-I2069 HydrophobicContact CD1-CD1 4.15Å; L1879-I2069 HydrophobicContact CD1-CG1 3.97Å; L1879-I2069 HydrophobicContact CD2-CD1 4.42Å; L1879-I2069 HydrophobicContact CG-CD1 4.25Å; L1879-I2069 HydrophobicContact CG-CG1 4.37Å |
| 1880 | N | 86.5 | Confident | 81.9 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.7 | 170.5 | -70.7 | -45.7 | 0 | 0 | 0 | 108.6 | V1861 S1863 Q1878 | V1861-N1880 WeakPolarHBondContact O-CA 3.03Å; S1863-N1880 PolarHBondContact N-OD1 2.88Å; Q1878-N1880 PolarHBondContact O-N 3.32Å |
| 1881 | L | 87.5 | Confident | 83.1 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 124.6 | 179.5 | 174.9 | 64.6 | 0 | 0 | 0 | 110.5 | V1861 L1879 I1883 Y1889 I2069 | V1861-L1881 HydrophobicContact CB-CB 4.04Å; V1861-L1881 HydrophobicContact CG2-CB 4.15Å; V1861-L1881 PolarHBondContact N-O 3.31Å; V1861-L1881 PolarHBondContact O-N 3.01Å; V1861-L1881 VanDerWaalsContact O-N 3.11Å; L1879-L1881 HydrophobicContact CD2-CB 3.9Å; L1881-I1883 HydrophobicContact CD1-CD1 4.21Å; L1881-I1883 HydrophobicContact CD1-CG1 4.09Å; L1881-I1883 HydrophobicContact CD2-CD1 4.09Å; L1881-I1883 HydrophobicContact CG-CD1 4.15Å; L1881-I1883 HydrophobicContact CG-CG1 4.25Å; L1881-Y1889 HydrophobicContact CD1-CD1 4.25Å; L1881-Y1889 HydrophobicContact CD1-CE1 3.68Å; L1881-Y1889 HydrophobicContact CD1-CE2 4.01Å; L1881-I2069 HydrophobicContact CB-CD1 4.2Å; L1881-I2069 HydrophobicContact CD1-CD1 4.03Å; L1881-I2069 HydrophobicContact CG-CD1 4.49Å |
| 1882 | T | 87.8 | Confident | 84.1 | Confident | 73 Ų | 73 | 49 Ų | 49 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.1 | 175.3 | 44 | 0 | 0 | 0 | 0 | 109.8 | I1859 N1860 | I1859-T1882 WeakPolarHBondContact O-CA 3.42Å; N1860-T1882 HydrophobicContact CB-CG2 4.49Å |
| 1883 | I | 88.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.7 | -179 | -59.9 | 167.6 | 0 | 0 | 0 | 108.7 | Y1857 A1858 I1859 L1881 E1887 Y1889 L2045 | Y1857-I1883 WeakPolarHBondContact CA-O 3.45Å; A1858-I1883 PolarHBondContact N-O 2.99Å; I1859-I1883 HydrophobicContact CB-CB 4.24Å; I1859-I1883 HydrophobicContact CB-CD1 4.35Å; I1859-I1883 HydrophobicContact CD1-CD1 3.95Å; I1859-I1883 PolarHBondContact O-N 3.45Å; L1881-I1883 HydrophobicContact CD1-CD1 4.21Å; L1881-I1883 HydrophobicContact CD1-CG1 4.09Å; L1881-I1883 HydrophobicContact CD2-CD1 4.09Å; L1881-I1883 HydrophobicContact CG-CD1 4.15Å; L1881-I1883 HydrophobicContact CG-CG1 4.25Å; I1883-E1887 HydrophobicContact CG2-CB 4.05Å; I1883-E1887 HydrophobicContact CG2-CG 4.42Å; I1883-Y1889 HydrophobicContact CD1-CD1 4.22Å; I1883-Y1889 HydrophobicContact CD1-CD2 4.42Å; I1883-Y1889 HydrophobicContact CD1-CG 3.88Å; I1883-Y1889 HydrophobicContact CG1-CD2 3.99Å; I1883-Y1889 HydrophobicContact CG1-CG 3.95Å; I1883-L2045 HydrophobicContact CD1-CD1 3.94Å |
| 1884 | Q | 85.5 | Confident | 85.2 | Confident | 104 Ų | 104 | 33.6 Ų | 33.6 | 49% | 0.486 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 158.7 | -176.9 | -54.6 | -169.5 | 32.5 | 0 | 0 | 111.8 | Y1857 E1887 T2043 | Y1857-Q1884 HydrophobicContact CD1-CG 4.41Å; Y1857-Q1884 HydrophobicContact CE1-CG 4.4Å; Q1884-E1887 HydrophobicContact CB-CB 4.34Å; Q1884-E1887 WeakPolarHBondContact CB-OE2 3.23Å; Q1884-E1887 PolarHBondContact N-OE2 3.39Å; Q1884-E1887 VanDerWaalsContact O-CB 3.29Å; Q1884-E1887 WeakPolarHBondContact O-CB 2.92Å; Q1884-E1887 PolarHBondContact O-N 3.14Å; Q1884-T2043 WeakPolarHBondContact O-CG2 3.39Å |
| 1885 | S | 82.5 | Confident | 85 | Confident | 75 Ų | 75 | 35.3 Ų | 35.3 | 52% | 0.524 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 132.7 | 175.3 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1886 | G | 82 | Confident | 84.5 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -3.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1887 | E | 85.6 | Confident | 84.3 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | trans | -85.5 | 143.8 | -174.5 | -166.9 | -173.5 | 170.1 | 0 | 0 | 113.8 | I1883 Q1884 T2043 I2044 N2059 H2060 | I1883-E1887 HydrophobicContact CG2-CB 4.05Å; I1883-E1887 HydrophobicContact CG2-CG 4.42Å; Q1884-E1887 HydrophobicContact CB-CB 4.34Å; Q1884-E1887 WeakPolarHBondContact CB-OE2 3.23Å; Q1884-E1887 PolarHBondContact N-OE2 3.39Å; Q1884-E1887 VanDerWaalsContact O-CB 3.29Å; Q1884-E1887 WeakPolarHBondContact O-CB 2.92Å; Q1884-E1887 PolarHBondContact O-N 3.14Å; E1887-T2043 WeakPolarHBondContact O-CA 3.43Å; E1887-I2044 PolarHBondContact O-N 2.87Å; E1887-N2059 HydrophobicContact CG-CB 4.02Å; E1887-H2060 IonicContact OE1-CE1 3.18Å; E1887-H2060 IonicContact OE1-CG 3.31Å; E1887-H2060 IonicContact OE1-ND1 3.36Å; E1887-H2060 PolarHBondContact OE1-ND1 2.93Å | ||
| 1888 | C | 90.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.9 | 164.7 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | M2038 I2044 C2058 N2059 | C1888-M2038 HydrophobicContact CB-CG 4.3Å; C1888-M2038 HydrophobicContact CB-SD 3.4Å; C1888-M2038 WeakPolarHBondContact CB-SD 3.49Å; C1888-I2044 CarbonylContact C-O 3.58Å; C1888-I2044 VanDerWaalsContact CA-O 3.31Å; C1888-I2044 WeakPolarHBondContact CA-O 3.1Å; C1888-I2044 HydrophobicContact CB-CB 4.17Å; C1888-C2058 CarbonylContact O-C 3.56Å; C1888-C2058 WeakPolarHBondContact O-CA 3.01Å; C1888-N2059 PolarHBondContact N-OD1 3.3Å; C1888-N2059 PolarHBondContact O-N 3.42Å; C1888-N2059 PolarHBondContact O-OD1 3.42Å |
| 1889 | Y | 91.9 | Very high | 84.2 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.9 | -177.3 | -167.5 | -81.9 | 0 | 0 | 0 | 111.4 | L1881 I1883 I2044 L2045 L2046 H2060 G2062 | L1881-Y1889 HydrophobicContact CD1-CD1 4.25Å; L1881-Y1889 HydrophobicContact CD1-CE1 3.68Å; L1881-Y1889 HydrophobicContact CD1-CE2 4.01Å; I1883-Y1889 HydrophobicContact CD1-CD1 4.22Å; I1883-Y1889 HydrophobicContact CD1-CD2 4.42Å; I1883-Y1889 HydrophobicContact CD1-CG 3.88Å; I1883-Y1889 HydrophobicContact CG1-CD2 3.99Å; I1883-Y1889 HydrophobicContact CG1-CG 3.95Å; Y1889-I2044 PolarHBondContact N-O 2.88Å; Y1889-L2045 HydrophobicContact CD1-CD1 3.77Å; Y1889-L2045 HydrophobicContact CG-CD1 4.43Å; Y1889-L2046 PolarHBondContact O-N 2.86Å; Y1889-H2060 HydrophobicContact CD2-CB 3.98Å; Y1889-H2060 HydrophobicContact CE2-CB 4Å; Y1889-G2062 WeakPolarHBondContact OH-CA 3.47Å |
| 1890 | G | 90.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L2046 C2058 H2060 I2061 G2062 | G1890-L2046 CarbonylContact C-O 3.4Å; G1890-L2046 VanDerWaalsContact CA-O 3.32Å; G1890-L2046 WeakPolarHBondContact CA-O 3.33Å; G1890-C2058 WeakPolarHBondContact CA-SG 3.32Å; G1890-C2058 PolarHBondContact N-SG 2.98Å; G1890-H2060 PolarHBondContact N-O 3.27Å; G1890-I2061 CarbonylContact O-C 3.58Å; G1890-I2061 WeakPolarHBondContact O-CA 3.47Å; G1890-G2062 PolarHBondContact O-N 3.49Å |
| 1891 | L | 89.5 | Confident | 84 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 99.6 | 173.4 | -174.3 | 67.5 | 0 | 0 | 0 | 110.8 | I1902 L2045 L2046 S2047 L2064 I2069 | L1891-I1902 HydrophobicContact CD2-CB 4.34Å; L1891-I1902 HydrophobicContact CD2-CD1 3.95Å; L1891-I1902 HydrophobicContact CD2-CG2 4.29Å; L1891-L2045 HydrophobicContact CB-CD1 4.17Å; L1891-L2046 PolarHBondContact N-O 3.39Å; L1891-S2047 WeakPolarHBondContact O-CA 3.24Å; L1891-S2047 WeakPolarHBondContact O-CB 3.44Å; L1891-L2064 HydrophobicContact CD1-CB 4.12Å; L1891-I2069 HydrophobicContact CD1-CD1 4.46Å |
| 1892 | L | 86.5 | Confident | 84 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 153.2 | 178.7 | -64.3 | -179.2 | 0 | 0 | 0 | 111.6 | M2051 C2054 I2061 G2062 L2063 L2064 L2164 F2168 | L1892-M2051 HydrophobicContact CD1-CE 4.09Å; L1892-M2051 HydrophobicContact CD1-SD 3.51Å; L1892-M2051 VanDerWaalsContact CD1-SD 3.51Å; L1892-M2051 HydrophobicContact CD2-CE 4.08Å; L1892-M2051 HydrophobicContact CD2-SD 3.6Å; L1892-M2051 VanDerWaalsContact CD2-SD 3.6Å; L1892-M2051 HydrophobicContact CG-SD 4.16Å; L1892-C2054 HydrophobicContact CD2-CB 4.49Å; L1892-I2061 HydrophobicContact CD1-CD1 4.5Å; L1892-I2061 HydrophobicContact CD1-CG2 3.5Å; L1892-I2061 VanDerWaalsContact CD1-CG2 3.5Å; L1892-I2061 HydrophobicContact CG-CG2 3.94Å; L1892-G2062 PolarHBondContact N-O 3.13Å; L1892-L2063 HydrophobicContact CB-CD2 3.86Å; L1892-L2063 HydrophobicContact CD1-CD2 4.02Å; L1892-L2064 VanDerWaalsContact O-CB 3.25Å; L1892-L2064 WeakPolarHBondContact O-CB 3.02Å; L1892-L2064 PolarHBondContact O-N 3.36Å; L1892-L2164 HydrophobicContact CD1-CD2 3.55Å; L1892-F2168 HydrophobicContact CB-CE2 4.36Å |
| 1893 | G | 82.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | 155.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1899 L2064 | G1893-K1899 WeakPolarHBondContact O-CE 3.4Å; G1893-L2064 WeakPolarHBondContact CA-O 3.31Å |
| 1894 | V | 78.1 | Confident | 83.9 | Confident | 43 Ų | 43 | 26 Ų | 26 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | trans | -65.3 | 159.8 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | G1896 A1897 F2168 I2172 | V1894-G1896 PolarHBondContact O-N 3.39Å; V1894-A1897 HydrophobicContact CG2-CB 3.92Å; V1894-A1897 VanDerWaalsContact O-CB 3.24Å; V1894-A1897 WeakPolarHBondContact O-CB 2.98Å; V1894-A1897 PolarHBondContact O-N 3.28Å; V1894-F2168 HydrophobicContact CG1-CE1 4.32Å; V1894-F2168 HydrophobicContact CG1-CZ 3.97Å; V1894-I2172 HydrophobicContact CG1-CD1 3.48Å; V1894-I2172 VanDerWaalsContact CG1-CD1 3.48Å; V1894-I2172 HydrophobicContact CG1-CG1 4.47Å | ||
| 1895 | N | 73.9 | Confident | 84 | Confident | 82 Ų | 82 | 21.1 Ų | 21.1 | 44% | 0.439 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 110.3 | 176.3 | -82.8 | -28.6 | 0 | 0 | 0 | 111.2 | D1048 H2049 | D1048-N1895 WeakPolarHBondContact OD2-CB 3.27Å; D1048-N1895 PolarHBondContact OD2-N 3.5Å; N1895-H2049 PolarHBondContact OD1-CE1 2.88Å; N1895-H2049 PolarHBondContact OD1-NE2 3.29Å |
| 1896 | G | 71.5 | Confident | 84.2 | Confident | 74 Ų | 74 | 17.6 Ų | 17.6 | 76% | 0.763 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 112.8 | -10.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1894 G1898 | V1894-G1896 PolarHBondContact O-N 3.39Å; G1896-G1898 PolarHBondContact O-N 3.27Å; G1896-G1898 VanDerWaalsContact O-N 3.1Å |
| 1897 | A | 79.1 | Confident | 84.4 | Confident | 7 Ų | 7 | 16.8 Ų | 16.8 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -67.7 | -9.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V1894 L2064 G2067 | V1894-A1897 HydrophobicContact CG2-CB 3.92Å; V1894-A1897 VanDerWaalsContact O-CB 3.24Å; V1894-A1897 WeakPolarHBondContact O-CB 2.98Å; V1894-A1897 PolarHBondContact O-N 3.28Å; A1897-L2064 HydrophobicContact CB-CD2 4.21Å; A1897-L2064 HydrophobicContact CB-CG 4.3Å; A1897-L2064 WeakPolarHBondContact CB-O 3.37Å; A1897-L2064 VanDerWaalsContact O-CD2 3.23Å; A1897-L2064 WeakPolarHBondContact O-CD2 2.93Å; A1897-L2064 WeakPolarHBondContact O-CG 3.23Å; A1897-G2067 WeakPolarHBondContact O-CA 3.29Å; A1897-G2067 PolarHBondContact O-N 3.3Å; A1897-G2067 VanDerWaalsContact O-N 3.15Å |
| 1898 | G | 80.2 | Confident | 83.9 | Confident | 5 Ų | 5 | 16.3 Ų | 16.3 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 115.3 | -1.8 | 178 | 0 | 0 | 0 | 0 | 0 | 116.2 | G1896 S1900 T1901 I1902 | G1896-G1898 PolarHBondContact O-N 3.27Å; G1896-G1898 VanDerWaalsContact O-N 3.1Å; G1898-S1900 PolarHBondContact O-N 2.86Å; G1898-T1901 VanDerWaalsContact CA-OG1 3.31Å; G1898-T1901 WeakPolarHBondContact CA-OG1 3.44Å; G1898-T1901 PolarHBondContact O-N 2.88Å; G1898-T1901 PolarHBondContact O-OG1 3.43Å; G1898-I1902 PolarHBondContact O-N 2.93Å |
| 1899 | K | 84 | Confident | 83.2 | Confident | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -44.9 | -65.5 | -176.8 | -64 | -173.3 | -70.6 | 158.5 | 0 | 113.4 | G1893 T1901 I1902 Y1903 E2017 H2049 L2064 | G1893-K1899 WeakPolarHBondContact O-CE 3.4Å; K1899-T1901 PolarHBondContact O-N 2.8Å; K1899-I1902 WeakPolarHBondContact O-CB 3.42Å; K1899-I1902 PolarHBondContact O-N 3.29Å; K1899-Y1903 WeakPolarHBondContact O-CD2 3.28Å; K1899-Y1903 PolarHBondContact O-N 3.11Å; K1899-Y1903 VanDerWaalsContact O-N 3.17Å; K1899-E2017 IonicContact NZ-OE1 3.56Å; K1899-E2017 PolarHBondContact NZ-OE1 3.45Å; K1899-H2049 PolarHBondContact NZ-CE1 3.4Å; K1899-H2049 PolarHBondContact NZ-NE2 3.44Å; K1899-L2064 HydrophobicContact CG-CD2 4.05Å; K1899-L2064 VanDerWaalsContact N-CD2 3.31Å |
| 1900 | S | 81.5 | Confident | 82.4 | Confident | 44 Ų | 44 | 22.4 Ų | 22.4 | 31% | 0.308 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -68.7 | -18.1 | -177.2 | -49 | 0 | 0 | 0 | 0 | 113.6 | G1898 S1904 D2016 | G1898-S1900 PolarHBondContact O-N 2.86Å; S1900-S1904 WeakPolarHBondContact O-CB 3.5Å; S1900-S1904 PolarHBondContact O-N 3.24Å; S1900-D2016 WeakPolarHBondContact CB-OD2 3.43Å; S1900-D2016 PolarHBondContact OG-OD2 2.73Å |
| 1901 | T | 84.9 | Confident | 81.6 | Confident | 26 Ų | 26 | 24.6 Ų | 24.6 | 16% | 0.16 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -79.3 | -23.8 | 170 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | Y1868 T1875 G1898 K1899 S1904 M1905 | Y1868-T1901 HydrophobicContact CE2-CG2 4Å; T1875-T1901 HydrophobicContact CG2-CG2 4.36Å; G1898-T1901 VanDerWaalsContact CA-OG1 3.31Å; G1898-T1901 WeakPolarHBondContact CA-OG1 3.44Å; G1898-T1901 PolarHBondContact O-N 2.88Å; G1898-T1901 PolarHBondContact O-OG1 3.43Å; K1899-T1901 PolarHBondContact O-N 2.8Å; T1901-S1904 WeakPolarHBondContact CA-OG 3.16Å; T1901-S1904 PolarHBondContact O-OG 3.09Å; T1901-S1904 VanDerWaalsContact O-OG 3.06Å; T1901-M1905 WeakPolarHBondContact O-CG 3.4Å; T1901-M1905 PolarHBondContact O-N 2.8Å |
| 1902 | I | 88.3 | Confident | 81.2 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.5 | -46.5 | 168.1 | -65.6 | 157.9 | 0 | 0 | 0 | 109 | V1876 L1879 L1891 G1898 K1899 S1904 M1905 L1906 L2064 | V1876-I1902 HydrophobicContact CG1-CG1 4.21Å; V1876-I1902 HydrophobicContact CG2-CG1 3.86Å; L1879-I1902 HydrophobicContact CD1-CD1 3.48Å; L1879-I1902 VanDerWaalsContact CD1-CD1 3.48Å; L1879-I1902 HydrophobicContact CD1-CG1 4.05Å; L1891-I1902 HydrophobicContact CD2-CB 4.34Å; L1891-I1902 HydrophobicContact CD2-CD1 3.95Å; L1891-I1902 HydrophobicContact CD2-CG2 4.29Å; G1898-I1902 PolarHBondContact O-N 2.93Å; K1899-I1902 WeakPolarHBondContact O-CB 3.42Å; K1899-I1902 PolarHBondContact O-N 3.29Å; I1902-S1904 VanDerWaalsContact C-N 3.29Å; I1902-S1904 PolarHBondContact O-N 2.86Å; I1902-M1905 HydrophobicContact CG1-CE 4.48Å; I1902-M1905 PolarHBondContact O-N 3.49Å; I1902-M1905 VanDerWaalsContact O-N 3.09Å; I1902-L1906 HydrophobicContact CG2-CD1 3.82Å; I1902-L1906 HydrophobicContact CG2-CG 4.26Å; I1902-L1906 WeakPolarHBondContact O-CG 3.37Å; I1902-L1906 PolarHBondContact O-N 3.26Å; I1902-L2064 HydrophobicContact CD1-CD1 3.67Å; I1902-L2064 HydrophobicContact CD1-CD2 3.57Å; I1902-L2064 HydrophobicContact CD1-CG 4.29Å |
| 1903 | Y | 89.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58 | -38.5 | 171.9 | -75.4 | -69.6 | 0 | 0 | 0 | 113.4 | K1899 M1905 L1906 T1907 Y1937 L2014 L2015 D2016 L2045 L2046 S2047 | K1899-Y1903 WeakPolarHBondContact O-CD2 3.28Å; K1899-Y1903 PolarHBondContact O-N 3.11Å; K1899-Y1903 VanDerWaalsContact O-N 3.17Å; Y1903-M1905 VanDerWaalsContact C-N 3.3Å; Y1903-M1905 PolarHBondContact O-N 3.06Å; Y1903-L1906 PolarHBondContact O-N 3.1Å; Y1903-T1907 WeakPolarHBondContact O-CB 3.17Å; Y1903-T1907 WeakPolarHBondContact O-CG2 3.37Å; Y1903-T1907 PolarHBondContact O-N 2.93Å; Y1903-T1907 PolarHBondContact O-OG1 2.78Å; Y1903-Y1937 HydrophobicContact CD1-CE2 4.28Å; Y1903-L2014 HydrophobicContact CD1-CB 3.97Å; Y1903-L2014 HydrophobicContact CE1-CB 3.9Å; Y1903-L2014 HydrophobicContact CE1-CD2 4.41Å; Y1903-L2015 PolarHBondContact OH-O 3.12Å; Y1903-D2016 HydrophobicContact CD2-CB 3.85Å; Y1903-D2016 VanDerWaalsContact CD2-CG 3.43Å; Y1903-D2016 WeakPolarHBondContact CD2-OD1 3.39Å; Y1903-D2016 HydrophobicContact CE2-CB 3.86Å; Y1903-D2016 VanDerWaalsContact CE2-OD1 3.23Å; Y1903-D2016 WeakPolarHBondContact CE2-OD1 3.49Å; Y1903-D2016 HydrophobicContact CG-CB 4.22Å; Y1903-L2045 HydrophobicContact CD1-CD2 4.4Å; Y1903-L2045 HydrophobicContact CE1-CB 4.43Å; Y1903-L2045 HydrophobicContact CE1-CD2 3.8Å; Y1903-L2045 HydrophobicContact CE1-CG 4Å; Y1903-L2045 PolarHBondContact OH-O 3.27Å; Y1903-L2046 VanDerWaalsContact OH-C 3.29Å; Y1903-S2047 VanDerWaalsContact CE2-OG 3.32Å; Y1903-S2047 WeakPolarHBondContact CE2-OG 3.46Å; Y1903-S2047 PolarHBondContact OH-N 2.62Å; Y1903-S2047 PolarHBondContact OH-OG 2.99Å |
| 1904 | S | 85 | Confident | 80.8 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.7 | -26.2 | 177.4 | 77 | 0 | 0 | 0 | 0 | 113 | S1900 T1901 I1902 G1908 Y1909 C1910 | S1900-S1904 WeakPolarHBondContact O-CB 3.5Å; S1900-S1904 PolarHBondContact O-N 3.24Å; T1901-S1904 WeakPolarHBondContact CA-OG 3.16Å; T1901-S1904 PolarHBondContact O-OG 3.09Å; T1901-S1904 VanDerWaalsContact O-OG 3.06Å; I1902-S1904 VanDerWaalsContact C-N 3.29Å; I1902-S1904 PolarHBondContact O-N 2.86Å; S1904-G1908 CarbonylContact O-C 3.49Å; S1904-G1908 PolarHBondContact O-N 3.07Å; S1904-Y1909 WeakPolarHBondContact O-CA 3.5Å; S1904-Y1909 WeakPolarHBondContact O-CB 3.44Å; S1904-Y1909 PolarHBondContact O-N 3.21Å; S1904-C1910 PolarHBondContact O-N 3.05Å; S1904-C1910 VanDerWaalsContact OG-CB 3.31Å; S1904-C1910 WeakPolarHBondContact OG-CB 3.41Å; S1904-C1910 PolarHBondContact OG-SG 2.99Å |
| 1905 | M | 87.3 | Confident | 80.9 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -79.5 | -43.9 | 170.4 | -69.8 | -174.1 | -64 | 0 | 0 | 112.5 | V1864 K1866 V1876 T1901 I1902 Y1903 T1907 G1908 C1910 I1912 I1917 | V1864-M1905 HydrophobicContact CG1-CE 3.58Å; V1864-M1905 HydrophobicContact CG1-SD 3.65Å; K1866-M1905 HydrophobicContact CB-CE 4.04Å; K1866-M1905 HydrophobicContact CB-SD 3.76Å; K1866-M1905 HydrophobicContact CD-SD 4.35Å; K1866-M1905 HydrophobicContact CG-SD 4.22Å; V1876-M1905 HydrophobicContact CB-CE 4.05Å; V1876-M1905 HydrophobicContact CG1-CE 4.06Å; V1876-M1905 HydrophobicContact CG2-CE 3.87Å; T1901-M1905 WeakPolarHBondContact O-CG 3.4Å; T1901-M1905 PolarHBondContact O-N 2.8Å; I1902-M1905 HydrophobicContact CG1-CE 4.48Å; I1902-M1905 PolarHBondContact O-N 3.49Å; I1902-M1905 VanDerWaalsContact O-N 3.09Å; Y1903-M1905 VanDerWaalsContact C-N 3.3Å; Y1903-M1905 PolarHBondContact O-N 3.06Å; M1905-T1907 PolarHBondContact O-N 2.88Å; M1905-G1908 WeakPolarHBondContact O-CA 3.32Å; M1905-G1908 PolarHBondContact O-N 3.1Å; M1905-C1910 HydrophobicContact CG-CB 4.31Å; M1905-I1912 HydrophobicContact CB-CG1 4.34Å; M1905-I1912 HydrophobicContact CG-CG1 4.25Å; M1905-I1912 HydrophobicContact SD-CG1 3.98Å; M1905-I1917 HydrophobicContact CB-CD1 3.99Å |
| 1906 | L | 87.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -30.4 | 175.9 | -69.5 | 170 | 0 | 0 | 0 | 112.9 | I1859 V1861 I1902 Y1903 I1917 L1919 I1924 L2014 L2045 | I1859-L1906 HydrophobicContact CG2-CD2 3.92Å; V1861-L1906 HydrophobicContact CG2-CD2 4.16Å; I1902-L1906 HydrophobicContact CG2-CD1 3.82Å; I1902-L1906 HydrophobicContact CG2-CG 4.26Å; I1902-L1906 WeakPolarHBondContact O-CG 3.37Å; I1902-L1906 PolarHBondContact O-N 3.26Å; Y1903-L1906 PolarHBondContact O-N 3.1Å; L1906-I1917 HydrophobicContact CD2-CD1 4.35Å; L1906-I1917 HydrophobicContact CD2-CG2 3.96Å; L1906-L1919 HydrophobicContact CD2-CD2 4.28Å; L1906-I1924 WeakPolarHBondContact O-CD1 3.48Å; L1906-L2014 HydrophobicContact CB-CD1 4.02Å; L1906-L2014 HydrophobicContact CD1-CD2 4.39Å; L1906-L2045 HydrophobicContact CD1-CD2 3.27Å |
| 1907 | T | 84.6 | Confident | 82 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.2 | 172.4 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | H1613 L1617 Y1903 M1905 Y1909 Y1937 L2014 | H1613-T1907 PolarHBondContact CE1-O 2.03Å; H1613-T1907 VanDerWaalsContact CE1-O 3.3Å; H1613-T1907 WeakPolarHBondContact NE2-CB 3.39Å; H1613-T1907 PolarHBondContact NE2-OG1 2.79Å; L1617-T1907 HydrophobicContact CD1-CG2 3.87Å; L1617-T1907 HydrophobicContact CD2-CG2 4.4Å; Y1903-T1907 WeakPolarHBondContact O-CB 3.17Å; Y1903-T1907 WeakPolarHBondContact O-CG2 3.37Å; Y1903-T1907 PolarHBondContact O-N 2.93Å; Y1903-T1907 PolarHBondContact O-OG1 2.78Å; M1905-T1907 PolarHBondContact O-N 2.88Å; T1907-Y1909 PolarHBondContact O-N 3.44Å; T1907-Y1937 HydrophobicContact CG2-CD1 4.03Å; T1907-Y1937 HydrophobicContact CG2-CD2 4.1Å; T1907-Y1937 HydrophobicContact CG2-CE1 4.26Å; T1907-Y1937 HydrophobicContact CG2-CE2 4.34Å; T1907-Y1937 HydrophobicContact CG2-CG 3.94Å; T1907-L2014 HydrophobicContact CG2-CD1 3.72Å |
| 1908 | G | 75.4 | Confident | 82.3 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 24.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1904 M1905 K1928 | S1904-G1908 CarbonylContact O-C 3.49Å; S1904-G1908 PolarHBondContact O-N 3.07Å; M1905-G1908 WeakPolarHBondContact O-CA 3.32Å; M1905-G1908 PolarHBondContact O-N 3.1Å; G1908-K1928 PolarHBondContact O-NZ 3.35Å |
| 1909 | Y | 75.8 | Confident | 82.6 | Confident | 124 Ų | 124 | 30.2 Ų | 30.2 | 49% | 0.486 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -72.6 | -40.4 | 169.1 | -175.9 | -109.1 | 0 | 0 | 0 | 111.4 | H1613 S1904 T1907 | H1613-Y1909 HydrophobicContact CB-CD2 4.12Å; H1613-Y1909 HydrophobicContact CB-CE2 4.42Å; H1613-Y1909 AromaticContact CG-CD2 3.69Å; H1613-Y1909 AromaticContact ND1-CD2 3.76Å; S1904-Y1909 WeakPolarHBondContact O-CA 3.5Å; S1904-Y1909 WeakPolarHBondContact O-CB 3.44Å; S1904-Y1909 PolarHBondContact O-N 3.21Å; T1907-Y1909 PolarHBondContact O-N 3.44Å |
| 1910 | C | 74.7 | Confident | 82.3 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 14% | 0.135 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -107.5 | 127.1 | 173 | -68.7 | 0 | 0 | 0 | 0 | 110 | Y1868 S1904 M1905 | Y1868-C1910 PolarHBondContact OH-SG 2.89Å; Y1868-C1910 VanDerWaalsContact OH-SG 3.41Å; S1904-C1910 PolarHBondContact O-N 3.05Å; S1904-C1910 VanDerWaalsContact OG-CB 3.31Å; S1904-C1910 WeakPolarHBondContact OG-CB 3.41Å; S1904-C1910 PolarHBondContact OG-SG 2.99Å; M1905-C1910 HydrophobicContact CG-CB 4.31Å |
| 1911 | T | 74.9 | Confident | 82.1 | Confident | 47 Ų | 47 | 32.3 Ų | 32.3 | 29% | 0.288 | 18% | 0.176 | S | C | . | . | trans | -63 | 137.5 | 169.2 | 39.5 | 0 | 0 | 0 | 0 | 111 | Q1814 K1866 | Q1814-T1911 PolarHBondContact OE1-OG1 2.86Å; K1866-T1911 WeakPolarHBondContact CD-O 3.47Å; K1866-T1911 WeakPolarHBondContact CE-O 3.44Å; K1866-T1911 PolarHBondContact NZ-O 3.32Å | ||
| 1912 | I | 80.1 | Confident | 81.9 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | trans | -69 | 147.3 | 174.3 | -64.3 | 158.6 | 0 | 0 | 0 | 109.3 | V1864 M1905 H1914 G1915 I1917 T1925 | V1864-I1912 HydrophobicContact CG1-CG1 4.45Å; V1864-I1912 HydrophobicContact CG1-CG2 4.13Å; V1864-I1912 HydrophobicContact CG2-CG2 4.33Å; M1905-I1912 HydrophobicContact CB-CG1 4.34Å; M1905-I1912 HydrophobicContact CG-CG1 4.25Å; M1905-I1912 HydrophobicContact SD-CG1 3.98Å; I1912-H1914 WeakPolarHBondContact CG2-O 3.31Å; I1912-G1915 WeakPolarHBondContact CG2-O 3.48Å; I1912-I1917 HydrophobicContact CD1-CB 4.31Å; I1912-I1917 HydrophobicContact CD1-CD1 3.75Å; I1912-I1917 HydrophobicContact CD1-CG1 3.7Å; I1912-I1917 HydrophobicContact CG1-CD1 4.26Å; I1912-T1925 HydrophobicContact CD1-CG2 3.87Å | ||
| 1913 | T | 80.7 | Confident | 81.5 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 22% | 0.221 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -101.9 | -22 | 175.4 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | W1818 C1865 K1866 H1867 | W1818-T1913 VanDerWaalsContact CZ2-O 3.29Å; W1818-T1913 WeakPolarHBondContact CZ2-O 3.43Å; C1865-T1913 VanDerWaalsContact C-OG1 3.24Å; C1865-T1913 PolarHBondContact O-N 2.96Å; C1865-T1913 PolarHBondContact O-OG1 2.98Å; K1866-T1913 VanDerWaalsContact CA-OG1 3.25Å; K1866-T1913 WeakPolarHBondContact CA-OG1 3.45Å; K1866-T1913 HydrophobicContact CD-CG2 4.24Å; K1866-T1913 PolarHBondContact N-OG1 3.23Å; H1867-T1913 PolarHBondContact N-OG1 3Å; H1867-T1913 VanDerWaalsContact N-OG1 3.11Å |
| 1914 | H | 79.9 | Confident | 81.1 | Confident | 81 Ų | 81 | 36.8 Ų | 36.8 | 38% | 0.375 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 155.6 | 166 | -161.3 | 57.4 | 0 | 0 | 0 | 109.3 | Y1838 V1864 C1865 I1912 | Y1838-H1914 PolarHBondContact OH-CE1 2.89Å; V1864-H1914 CarbonylContact C-O 3.45Å; V1864-H1914 VanDerWaalsContact CA-O 3.26Å; V1864-H1914 WeakPolarHBondContact CA-O 3.45Å; C1865-H1914 HydrophobicContact CB-CB 3.92Å; C1865-H1914 PolarHBondContact N-O 3.29Å; C1865-H1914 PolarHBondContact O-N 3.23Å; I1912-H1914 WeakPolarHBondContact CG2-O 3.31Å |
| 1915 | G | 80.3 | Confident | 80.4 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.2 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1862 S1863 I1912 | K1862-G1915 CarbonylContact O-C 3.56Å; K1862-G1915 WeakPolarHBondContact O-CA 3.42Å; S1863-G1915 WeakPolarHBondContact O-CA 3.27Å; I1912-G1915 WeakPolarHBondContact CG2-O 3.48Å |
| 1916 | H | 82.4 | Confident | 79.7 | Confident | 88 Ų | 88 | 45.3 Ų | 45.3 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.7 | -173.3 | -70.9 | -103 | 0 | 0 | 0 | 111.9 | K1862 V1864 Y1918 D1923 | K1862-H1916 PolarHBondContact N-O 3.46Å; K1862-H1916 PolarHBondContact O-N 2.85Å; V1864-H1916 WeakPolarHBondContact CG2-O 3.42Å; H1916-Y1918 HydrophobicContact CB-CE2 3.73Å; H1916-D1923 IonicContact CE1-OD2 3.09Å; H1916-D1923 IonicContact CG-OD2 3.7Å; H1916-D1923 IonicContact ND1-OD2 3.78Å; H1916-D1923 PolarHBondContact ND1-OD2 3.13Å |
| 1917 | I | 86.4 | Confident | 79 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 121.5 | 174.8 | -58.9 | -178.9 | 0 | 0 | 0 | 109.6 | V1861 V1864 M1905 L1906 I1912 L1919 D1923 I1924 | V1861-I1917 HydrophobicContact CG1-CG1 4.09Å; V1861-I1917 HydrophobicContact CG2-CG1 4.22Å; V1861-I1917 HydrophobicContact CG2-CG2 4.18Å; V1864-I1917 HydrophobicContact CG2-CD1 4.37Å; V1864-I1917 HydrophobicContact CG2-CG1 3.82Å; M1905-I1917 HydrophobicContact CB-CD1 3.99Å; L1906-I1917 HydrophobicContact CD2-CD1 4.35Å; L1906-I1917 HydrophobicContact CD2-CG2 3.96Å; I1912-I1917 HydrophobicContact CD1-CB 4.31Å; I1912-I1917 HydrophobicContact CD1-CD1 3.75Å; I1912-I1917 HydrophobicContact CD1-CG1 3.7Å; I1912-I1917 HydrophobicContact CG1-CD1 4.26Å; I1917-L1919 HydrophobicContact CG2-CD2 4Å; I1917-L1919 HydrophobicContact CG2-CG 4.29Å; I1917-D1923 CarbonylContact O-C 3.44Å; I1917-D1923 VanDerWaalsContact O-CA 3.28Å; I1917-D1923 WeakPolarHBondContact O-CA 3.03Å; I1917-I1924 HydrophobicContact CB-CD1 3.79Å; I1917-I1924 HydrophobicContact CB-CG1 4.15Å; I1917-I1924 HydrophobicContact CD1-CD1 4.33Å; I1917-I1924 HydrophobicContact CG2-CD1 3.42Å; I1917-I1924 VanDerWaalsContact CG2-CD1 3.42Å; I1917-I1924 HydrophobicContact CG2-CG1 4Å; I1917-I1924 PolarHBondContact O-N 3.38Å |
| 1918 | Y | 86.3 | Confident | 78.4 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.2 | 174.9 | -54.8 | -100.7 | 0 | 0 | 0 | 109.9 | N1860 K1862 H1916 Y1922 D1923 | N1860-Y1918 PolarHBondContact N-O 3.49Å; N1860-Y1918 PolarHBondContact O-N 3.11Å; K1862-Y1918 HydrophobicContact CD-CE2 4.22Å; H1916-Y1918 HydrophobicContact CB-CE2 3.73Å; Y1918-Y1922 WeakPolarHBondContact CA-O 3.21Å; Y1918-D1923 HydrophobicContact CD1-CB 4.06Å; Y1918-D1923 HydrophobicContact CE1-CB 4.02Å |
| 1919 | L | 85.3 | Confident | 78.1 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.9 | 174.9 | -56.9 | -176.3 | 0 | 0 | 0 | 109.2 | A1858 I1859 L1906 I1917 G1921 Y1922 I1924 A1931 I1935 I2012 | A1858-L1919 CarbonylContact O-C 3.53Å; A1858-L1919 WeakPolarHBondContact O-CA 3.41Å; I1859-L1919 HydrophobicContact CB-CD2 4.33Å; I1859-L1919 HydrophobicContact CG1-CD2 3.94Å; I1859-L1919 HydrophobicContact CG2-CD2 4.1Å; L1906-L1919 HydrophobicContact CD2-CD2 4.28Å; I1917-L1919 HydrophobicContact CG2-CD2 4Å; I1917-L1919 HydrophobicContact CG2-CG 4.29Å; L1919-G1921 PolarHBondContact O-N 3.13Å; L1919-G1921 VanDerWaalsContact O-N 3.08Å; L1919-Y1922 PolarHBondContact N-O 2.93Å; L1919-Y1922 PolarHBondContact O-N 3.08Å; L1919-I1924 HydrophobicContact CD1-CD1 3.67Å; L1919-I1924 HydrophobicContact CD1-CG1 3.86Å; L1919-I1924 HydrophobicContact CG-CD1 3.93Å; L1919-I1924 HydrophobicContact CG-CG1 3.94Å; L1919-A1931 HydrophobicContact CB-CB 4.33Å; L1919-A1931 HydrophobicContact CD1-CB 4.41Å; L1919-I1935 HydrophobicContact CD1-CD1 3.53Å; L1919-I2012 HydrophobicContact CB-CD1 4.06Å; L1919-I2012 HydrophobicContact CD2-CD1 4.36Å |
| 1920 | N | 77.9 | Confident | 77.9 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 29.6 | -169.6 | -63 | -19.3 | 0 | 0 | 0 | 113.7 | A1858 S2011 | A1858-N1920 PolarHBondContact O-N 3.3Å; N1920-S2011 PolarHBondContact ND2-OG 3.46Å |
| 1921 | G | 76.6 | Confident | 77.7 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 47% | 0.474 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -14 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1919 | L1919-G1921 PolarHBondContact O-N 3.13Å; L1919-G1921 VanDerWaalsContact O-N 3.08Å |
| 1922 | Y | 81.6 | Confident | 77.6 | Confident | 112 Ų | 112 | 52.6 Ų | 52.6 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.2 | 178 | -59.6 | -60.3 | 0 | 0 | 0 | 112.3 | Y1918 L1919 I1924 K1930 | Y1918-Y1922 WeakPolarHBondContact CA-O 3.21Å; L1919-Y1922 PolarHBondContact N-O 2.93Å; L1919-Y1922 PolarHBondContact O-N 3.08Å; Y1922-I1924 PolarHBondContact O-N 3.49Å; Y1922-K1930 HydrophobicContact CD1-CB 4.33Å; Y1922-K1930 HydrophobicContact CD1-CD 4.45Å; Y1922-K1930 HydrophobicContact CD2-CB 4.09Å; Y1922-K1930 HydrophobicContact CE1-CD 4.28Å; Y1922-K1930 HydrophobicContact CE2-CB 4.33Å; Y1922-K1930 HydrophobicContact CG-CB 4.1Å |
| 1923 | D | 80.9 | Confident | 77.1 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.4 | 172.2 | -169.6 | -31.2 | 0 | 0 | 0 | 111.2 | H1916 I1917 Y1918 T1925 L1926 N1927 | H1916-D1923 IonicContact CE1-OD2 3.09Å; H1916-D1923 IonicContact CG-OD2 3.7Å; H1916-D1923 IonicContact ND1-OD2 3.78Å; H1916-D1923 PolarHBondContact ND1-OD2 3.13Å; I1917-D1923 CarbonylContact O-C 3.44Å; I1917-D1923 VanDerWaalsContact O-CA 3.28Å; I1917-D1923 WeakPolarHBondContact O-CA 3.03Å; Y1918-D1923 HydrophobicContact CD1-CB 4.06Å; Y1918-D1923 HydrophobicContact CE1-CB 4.02Å; D1923-T1925 VanDerWaalsContact C-N 3.26Å; D1923-T1925 PolarHBondContact O-N 3.15Å; D1923-T1925 WeakPolarHBondContact OD1-CB 3.39Å; D1923-T1925 WeakPolarHBondContact OD1-CG2 3.45Å; D1923-T1925 PolarHBondContact OD1-N 3.33Å; D1923-T1925 PolarHBondContact OD1-OG1 2.87Å; D1923-T1925 PolarHBondContact OD2-OG1 2.67Å; D1923-L1926 HydrophobicContact CB-CB 4.49Å; D1923-L1926 HydrophobicContact CB-CD1 4.47Å; D1923-L1926 PolarHBondContact O-N 2.65Å; D1923-N1927 WeakPolarHBondContact O-CA 3.16Å; D1923-N1927 PolarHBondContact O-N 2.85Å |
| 1924 | I | 79.4 | Confident | 76.7 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 177.2 | -58.3 | -179.4 | 0 | 0 | 0 | 111.5 | L1906 I1917 L1919 Y1922 L1926 K1928 A1931 | L1906-I1924 WeakPolarHBondContact O-CD1 3.48Å; I1917-I1924 HydrophobicContact CB-CD1 3.79Å; I1917-I1924 HydrophobicContact CB-CG1 4.15Å; I1917-I1924 HydrophobicContact CD1-CD1 4.33Å; I1917-I1924 HydrophobicContact CG2-CD1 3.42Å; I1917-I1924 VanDerWaalsContact CG2-CD1 3.42Å; I1917-I1924 HydrophobicContact CG2-CG1 4Å; I1917-I1924 PolarHBondContact O-N 3.38Å; L1919-I1924 HydrophobicContact CD1-CD1 3.67Å; L1919-I1924 HydrophobicContact CD1-CG1 3.86Å; L1919-I1924 HydrophobicContact CG-CD1 3.93Å; L1919-I1924 HydrophobicContact CG-CG1 3.94Å; Y1922-I1924 PolarHBondContact O-N 3.49Å; I1924-L1926 VanDerWaalsContact C-N 3.34Å; I1924-L1926 PolarHBondContact O-N 3.11Å; I1924-K1928 HydrophobicContact CG2-CG 4.48Å; I1924-K1928 WeakPolarHBondContact O-CA 3.44Å; I1924-K1928 WeakPolarHBondContact O-CB 3.36Å; I1924-K1928 PolarHBondContact O-N 3.13Å; I1924-A1931 HydrophobicContact CG1-CB 4.28Å |
| 1925 | T | 71.1 | Confident | 77 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.1 | -35.3 | -175.1 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | I1912 D1923 | I1912-T1925 HydrophobicContact CD1-CG2 3.87Å; D1923-T1925 VanDerWaalsContact C-N 3.26Å; D1923-T1925 PolarHBondContact O-N 3.15Å; D1923-T1925 WeakPolarHBondContact OD1-CB 3.39Å; D1923-T1925 WeakPolarHBondContact OD1-CG2 3.45Å; D1923-T1925 PolarHBondContact OD1-N 3.33Å; D1923-T1925 PolarHBondContact OD1-OG1 2.87Å; D1923-T1925 PolarHBondContact OD2-OG1 2.67Å |
| 1926 | L | 71.3 | Confident | 77.3 | Confident | 137 Ų | 137 | 51.1 Ų | 51.1 | 72% | 0.717 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -95.2 | -43.8 | -179.5 | -60.9 | 175.9 | 0 | 0 | 0 | 112.5 | D1923 I1924 | D1923-L1926 HydrophobicContact CB-CB 4.49Å; D1923-L1926 HydrophobicContact CB-CD1 4.47Å; D1923-L1926 PolarHBondContact O-N 2.65Å; I1924-L1926 VanDerWaalsContact C-N 3.34Å; I1924-L1926 PolarHBondContact O-N 3.11Å |
| 1927 | N | 72.8 | Confident | 77.7 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -125.9 | 38.6 | -164.5 | -78.8 | -72 | 0 | 0 | 0 | 112.8 | D1923 E1929 K1930 A1931 | D1923-N1927 WeakPolarHBondContact O-CA 3.16Å; D1923-N1927 PolarHBondContact O-N 2.85Å; N1927-E1929 PolarHBondContact O-N 3.41Å; N1927-K1930 HydrophobicContact CB-CB 4.48Å; N1927-K1930 PolarHBondContact O-N 3.22Å; N1927-A1931 PolarHBondContact O-N 3.15Å |
| 1928 | K | 73 | Confident | 77.8 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -42.6 | -43.8 | -177.3 | -177 | 174.8 | 171.1 | -178.3 | 0 | 114.7 | Y1811 G1908 I1924 A1931 C1932 | Y1811-K1928 HydrophobicContact CE2-CD 4.16Å; Y1811-K1928 WeakPolarHBondContact OH-CD 3.47Å; G1908-K1928 PolarHBondContact O-NZ 3.35Å; I1924-K1928 HydrophobicContact CG2-CG 4.48Å; I1924-K1928 WeakPolarHBondContact O-CA 3.44Å; I1924-K1928 WeakPolarHBondContact O-CB 3.36Å; I1924-K1928 PolarHBondContact O-N 3.13Å; K1928-A1931 PolarHBondContact O-N 3.22Å; K1928-C1932 VanDerWaalsContact O-CB 3.3Å; K1928-C1932 WeakPolarHBondContact O-CB 3.25Å; K1928-C1932 PolarHBondContact O-N 3.28Å; K1928-C1932 PolarHBondContact O-SG 3.36Å; K1928-C1932 VanDerWaalsContact O-SG 3.37Å |
| 1929 | E | 69.8 | Low | 77.8 | Confident | 118 Ų | 118 | 45.1 Ų | 45.1 | 55% | 0.551 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.1 | -53.7 | 179.8 | -63.5 | -174.1 | 175.1 | 0 | 0 | 111.6 | N1927 A1931 C1932 E1933 | N1927-E1929 PolarHBondContact O-N 3.41Å; E1929-A1931 VanDerWaalsContact C-N 3.33Å; E1929-A1931 PolarHBondContact O-N 3.27Å; E1929-C1932 PolarHBondContact O-N 2.75Å; E1929-E1933 WeakPolarHBondContact O-CB 3.46Å; E1929-E1933 VanDerWaalsContact O-CG 3.31Å; E1929-E1933 WeakPolarHBondContact O-CG 3.34Å; E1929-E1933 PolarHBondContact O-N 2.04Å |
| 1930 | K | 69.7 | Low | 77.6 | Confident | 110 Ų | 110 | 48.7 Ų | 48.7 | 48% | 0.478 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -37.4 | 178.4 | -61.9 | 178.8 | -177.4 | 170.1 | 0 | 112.5 | Y1922 N1927 | Y1922-K1930 HydrophobicContact CD1-CB 4.33Å; Y1922-K1930 HydrophobicContact CD1-CD 4.45Å; Y1922-K1930 HydrophobicContact CD2-CB 4.09Å; Y1922-K1930 HydrophobicContact CE1-CD 4.28Å; Y1922-K1930 HydrophobicContact CE2-CB 4.33Å; Y1922-K1930 HydrophobicContact CG-CB 4.1Å; N1927-K1930 HydrophobicContact CB-CB 4.48Å; N1927-K1930 PolarHBondContact O-N 3.22Å |
| 1931 | A | 71.9 | Confident | 77.5 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1919 I1924 N1927 K1928 E1929 | L1919-A1931 HydrophobicContact CB-CB 4.33Å; L1919-A1931 HydrophobicContact CD1-CB 4.41Å; I1924-A1931 HydrophobicContact CG1-CB 4.28Å; N1927-A1931 PolarHBondContact O-N 3.15Å; K1928-A1931 PolarHBondContact O-N 3.22Å; E1929-A1931 VanDerWaalsContact C-N 3.33Å; E1929-A1931 PolarHBondContact O-N 3.27Å |
| 1932 | C | 73.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -87.1 | -21.2 | -177 | -67.4 | 0 | 0 | 0 | 0 | 115 | L1617 K1928 E1929 N1934 I1935 | L1617-C1932 HydrophobicContact CD2-CB 4.02Å; K1928-C1932 VanDerWaalsContact O-CB 3.3Å; K1928-C1932 WeakPolarHBondContact O-CB 3.25Å; K1928-C1932 PolarHBondContact O-N 3.28Å; K1928-C1932 PolarHBondContact O-SG 3.36Å; K1928-C1932 VanDerWaalsContact O-SG 3.37Å; E1929-C1932 PolarHBondContact O-N 2.75Å; C1932-N1934 PolarHBondContact O-N 3.37Å; C1932-I1935 HydrophobicContact CB-CD1 4.31Å; C1932-I1935 PolarHBondContact O-N 2.96Å |
| 1933 | E | 68.4 | Low | 77.6 | Confident | 75 Ų | 75 | 47.6 Ų | 47.6 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -22.6 | -173.3 | -98.1 | 171.2 | -130.7 | 0 | 0 | 116 | K1252 E1929 | K1252-E1933 WeakPolarHBondContact CE-OE1 3.39Å; K1252-E1933 WeakPolarHBondContact CE-OE2 3.45Å; K1252-E1933 VanDerWaalsContact NZ-CD 3.34Å; K1252-E1933 IonicContact NZ-OE1 3.89Å; K1252-E1933 PolarHBondContact NZ-OE1 2.74Å; K1252-E1933 IonicContact NZ-OE2 2.77Å; K1252-E1933 PolarHBondContact NZ-OE2 3.12Å; E1929-E1933 WeakPolarHBondContact O-CB 3.46Å; E1929-E1933 VanDerWaalsContact O-CG 3.31Å; E1929-E1933 WeakPolarHBondContact O-CG 3.34Å; E1929-E1933 PolarHBondContact O-N 2.04Å |
| 1934 | N | 72.8 | Confident | 77.9 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 24.4 | -179.8 | -69.8 | -90.8 | 0 | 0 | 0 | 113.8 | K1250 C1932 P2010 S2011 | K1250-N1934 PolarHBondContact NZ-OD1 2.95Å; C1932-N1934 PolarHBondContact O-N 3.37Å; N1934-P2010 CarbonylContact O-C 3.58Å; N1934-P2010 VanDerWaalsContact O-CA 3.31Å; N1934-P2010 WeakPolarHBondContact O-CA 3.42Å; N1934-P2010 WeakPolarHBondContact O-CB 3.16Å; N1934-S2011 PolarHBondContact O-N 3.19Å |
| 1935 | I | 85.4 | Confident | 78.1 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 137.5 | -179.7 | -57.6 | 179.9 | 0 | 0 | 0 | 112.4 | L1919 C1932 I2012 L2014 | L1919-I1935 HydrophobicContact CD1-CD1 3.53Å; C1932-I1935 HydrophobicContact CB-CD1 4.31Å; C1932-I1935 PolarHBondContact O-N 2.96Å; I1935-I2012 CarbonylContact C-O 3.53Å; I1935-I2012 WeakPolarHBondContact CA-O 3.34Å; I1935-L2014 HydrophobicContact CG2-CD1 3.94Å; I1935-L2014 HydrophobicContact CG2-CG 4.07Å |
| 1936 | G | 87 | Confident | 78.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A2005 I2012 I2013 L2014 | G1936-A2005 WeakPolarHBondContact CA-O 2.95Å; G1936-I2012 PolarHBondContact N-O 3.2Å; G1936-I2013 CarbonylContact O-C 3.48Å; G1936-I2013 WeakPolarHBondContact O-CA 3.41Å; G1936-L2014 PolarHBondContact O-N 3.06Å |
| 1937 | Y | 90.1 | Very high | 79.1 | Confident | 32 Ų | 32 | 45 Ų | 45 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 126.8 | 176.5 | 178.8 | -132.6 | 0 | 0 | 0 | 111.9 | L1617 Y1903 T1907 P1939 L2014 D2016 | L1617-Y1937 HydrophobicContact CD1-CD1 3.64Å; L1617-Y1937 HydrophobicContact CD1-CG 4.18Å; Y1903-Y1937 HydrophobicContact CD1-CE2 4.28Å; T1907-Y1937 HydrophobicContact CG2-CD1 4.03Å; T1907-Y1937 HydrophobicContact CG2-CD2 4.1Å; T1907-Y1937 HydrophobicContact CG2-CE1 4.26Å; T1907-Y1937 HydrophobicContact CG2-CE2 4.34Å; T1907-Y1937 HydrophobicContact CG2-CG 3.94Å; Y1937-P1939 HydrophobicContact CD1-CB 4.48Å; Y1937-P1939 HydrophobicContact CE1-CB 3.71Å; Y1937-P1939 HydrophobicContact CE1-CG 4.27Å; Y1937-L2014 CarbonylContact C-O 3.56Å; Y1937-L2014 WeakPolarHBondContact CA-O 3.43Å; Y1937-L2014 HydrophobicContact CD2-CB 3.78Å; Y1937-L2014 WeakPolarHBondContact CD2-O 3.43Å; Y1937-D2016 HydrophobicContact CE2-CB 4.4Å |
| 1938 | C | 89.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 103 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | T2002 A2005 L2014 L2015 D2016 | C1938-T2002 HydrophobicContact CB-CG2 4.36Å; C1938-T2002 VanDerWaalsContact SG-CG2 3.58Å; C1938-A2005 HydrophobicContact CB-CB 4.13Å; C1938-L2014 PolarHBondContact N-O 3.11Å; C1938-L2015 HydrophobicContact CB-CD2 3.64Å; C1938-D2016 PolarHBondContact O-N 3.12Å |
| 1939 | P | 86.6 | Confident | 80.5 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 5% | 0.045 | 19% | 0.189 | C | C | . | . | trans | -69.5 | 157.6 | 177.5 | 25.7 | -33 | 0 | 0 | 0 | 113 | L1614 Y1937 Q1941 A1943 R1998 | L1614-P1939 HydrophobicContact CD1-CG 3.93Å; Y1937-P1939 HydrophobicContact CD1-CB 4.48Å; Y1937-P1939 HydrophobicContact CE1-CB 3.71Å; Y1937-P1939 HydrophobicContact CE1-CG 4.27Å; P1939-Q1941 VanDerWaalsContact C-N 3.29Å; P1939-Q1941 VanDerWaalsContact CG-O 3.31Å; P1939-Q1941 WeakPolarHBondContact CG-O 3.22Å; P1939-Q1941 PolarHBondContact O-N 3.25Å; P1939-A1943 HydrophobicContact CG-CB 3.85Å; P1939-R1998 VanDerWaalsContact O-CZ 3.29Å; P1939-R1998 PolarHBondContact O-NH1 2.93Å; P1939-R1998 PolarHBondContact O-NH2 3.04Å | ||
| 1940 | Q | 79.6 | Confident | 81.4 | Confident | 78 Ų | 78 | 34 Ų | 34 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -58.7 | -37.6 | 176.6 | -165.8 | -171.9 | 36.6 | 0 | 0 | 112.9 | R1998 D2016 E2017 | Q1940-R1998 PolarHBondContact O-NH1 3.45Å; Q1940-D2016 WeakPolarHBondContact CA-O 3.27Å; Q1940-E2017 VanDerWaalsContact NE2-CD 3.27Å; Q1940-E2017 PolarHBondContact NE2-OE1 3.38Å; Q1940-E2017 PolarHBondContact NE2-OE2 3.47Å |
| 1941 | Q | 76.1 | Confident | 82.4 | Confident | 134 Ų | 134 | 32.6 Ų | 32.6 | 63% | 0.626 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -99 | 132.3 | 172.5 | -66 | -177.6 | -8.6 | 0 | 0 | 110 | P1939 A1943 | P1939-Q1941 VanDerWaalsContact C-N 3.29Å; P1939-Q1941 VanDerWaalsContact CG-O 3.31Å; P1939-Q1941 WeakPolarHBondContact CG-O 3.22Å; P1939-Q1941 PolarHBondContact O-N 3.25Å; Q1941-A1943 PolarHBondContact O-N 3.09Å |
| 1942 | D | 80.8 | Confident | 83.3 | Confident | 49 Ų | 49 | 33.9 Ų | 33.9 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | trans | -65 | 95.8 | -176.7 | -67.9 | -30 | 0 | 0 | 0 | 112.2 | L1944 K1997 R1998 S2001 | D1942-L1944 HydrophobicContact CB-CD1 3.96Å; D1942-L1944 HydrophobicContact CB-CG 4.07Å; D1942-L1944 PolarHBondContact O-N 2.99Å; D1942-K1997 HydrophobicContact CB-CB 4.36Å; D1942-K1997 WeakPolarHBondContact OD2-CB 3.36Å; D1942-R1998 IonicContact OD1-CZ 2.89Å; D1942-R1998 IonicContact OD1-NH1 3.78Å; D1942-R1998 PolarHBondContact OD1-NH1 3.4Å; D1942-R1998 PolarHBondContact OD2-N 2.9Å; D1942-S2001 WeakPolarHBondContact OD1-CB 3.3Å | ||
| 1943 | A | 80.8 | Confident | 84.2 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | trans | -75.7 | 45.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1609 S1611 L1614 P1939 Q1941 | N1609-A1943 WeakPolarHBondContact O-CA 3.44Å; N1609-A1943 WeakPolarHBondContact O-CB 3.32Å; S1611-A1943 WeakPolarHBondContact CB-O 3.44Å; L1614-A1943 HydrophobicContact CD1-CB 4.17Å; P1939-A1943 HydrophobicContact CG-CB 3.85Å; Q1941-A1943 PolarHBondContact O-N 3.09Å | ||
| 1944 | L | 86.1 | Confident | 85.2 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | trans | -94.1 | 153.6 | -171.1 | -53.8 | 173 | 0 | 0 | 0 | 112.2 | D1942 E1946 L1953 I1989 K1997 L2000 I2004 | D1942-L1944 HydrophobicContact CB-CD1 3.96Å; D1942-L1944 HydrophobicContact CB-CG 4.07Å; D1942-L1944 PolarHBondContact O-N 2.99Å; L1944-E1946 PolarHBondContact O-N 3.47Å; L1944-L1953 HydrophobicContact CB-CD2 4.28Å; L1944-L1953 HydrophobicContact CD2-CD2 3.69Å; L1944-I1989 HydrophobicContact CB-CG2 4.01Å; L1944-I1989 HydrophobicContact CD1-CG2 3.95Å; L1944-K1997 HydrophobicContact CD1-CB 3.82Å; L1944-K1997 HydrophobicContact CD1-CG 4.21Å; L1944-L2000 HydrophobicContact CD1-CB 4.47Å; L1944-L2000 HydrophobicContact CD1-CD2 4.27Å; L1944-L2000 HydrophobicContact CD2-CD2 4.34Å; L1944-L2000 HydrophobicContact CD2-CG 4.19Å; L1944-I2004 HydrophobicContact CD2-CD1 3.46Å; L1944-I2004 VanDerWaalsContact CD2-CD1 3.46Å | ||
| 1945 | C | 83.2 | Confident | 86 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | trans | -85.8 | 107 | 168.9 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | F1947 M1948 L1953 | C1945-F1947 PolarHBondContact O-N 2.91Å; C1945-F1947 VanDerWaalsContact O-N 3.08Å; C1945-M1948 HydrophobicContact CB-CG 4.05Å; C1945-M1948 HydrophobicContact CB-SD 3.93Å; C1945-M1948 PolarHBondContact O-N 3.28Å; C1945-M1948 VanDerWaalsContact O-N 3.16Å; C1945-L1953 HydrophobicContact CB-CD1 4.43Å | ||
| 1946 | E | 81 | Confident | 86.2 | Confident | 72 Ų | 72 | 28.6 Ų | 28.6 | 34% | 0.336 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.8 | -172.7 | -66.3 | 178.6 | 109 | 0 | 0 | 114.5 | Y1605 L1944 I1988 G1990 K1997 | Y1605-E1946 WeakPolarHBondContact OH-CG 3.42Å; Y1605-E1946 PolarHBondContact OH-OE2 3.22Å; L1944-E1946 PolarHBondContact O-N 3.47Å; E1946-I1988 WeakPolarHBondContact O-CG2 3.08Å; E1946-G1990 PolarHBondContact O-N 2.95Å; E1946-K1997 IonicContact OE1-NZ 3.43Å |
| 1947 | F | 82.2 | Confident | 86.3 | Confident | 62 Ų | 62 | 28.8 Ų | 28.8 | 27% | 0.272 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -15.2 | -179.9 | -59.7 | -74.8 | 0 | 0 | 0 | 114.6 | H1269 R1272 N1273 C1945 | H1269-F1947 AromaticContact CD2-CD2 3.68Å; H1269-F1947 AromaticContact CD2-CE2 3.91Å; H1269-F1947 AromaticContact NE2-CE2 3.85Å; R1272-F1947 HydrophobicContact CB-CB 4.48Å; R1272-F1947 WeakPolarHBondContact CD-O 3.27Å; R1272-F1947 PolarHBondContact NH1-O 3.15Å; N1273-F1947 HydrophobicContact CB-CE1 4.47Å; C1945-F1947 PolarHBondContact O-N 2.91Å; C1945-F1947 VanDerWaalsContact O-N 3.08Å |
| 1948 | M | 87 | Confident | 86.1 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -85.9 | 165.5 | 178.7 | -63.5 | -178.9 | 76.7 | 0 | 0 | 110.9 | K1265 I1268 C1945 E1952 L1953 F1956 I1989 | K1265-M1948 HydrophobicContact CG-SD 4.4Å; I1268-M1948 HydrophobicContact CD1-CE 4.01Å; I1268-M1948 HydrophobicContact CG2-CG 4.06Å; C1945-M1948 HydrophobicContact CB-CG 4.05Å; C1945-M1948 HydrophobicContact CB-SD 3.93Å; C1945-M1948 PolarHBondContact O-N 3.28Å; C1945-M1948 VanDerWaalsContact O-N 3.16Å; M1948-E1952 WeakPolarHBondContact CA-OE2 3.03Å; M1948-E1952 HydrophobicContact CB-CB 4.38Å; M1948-E1952 HydrophobicContact CE-CB 3.87Å; M1948-L1953 HydrophobicContact CB-CB 4.36Å; M1948-L1953 HydrophobicContact CE-CD1 4.37Å; M1948-L1953 HydrophobicContact SD-CD1 3.73Å; M1948-F1956 HydrophobicContact CE-CB 4.12Å; M1948-I1989 HydrophobicContact CB-CD1 4.2Å; M1948-I1989 WeakPolarHBondContact O-CB 3.41Å; M1948-I1989 WeakPolarHBondContact O-CD1 3.31Å; M1948-I1989 WeakPolarHBondContact O-CG1 3.37Å; M1948-I1989 PolarHBondContact O-N 3.16Å |
| 1949 | T | 89.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | trans | -89.7 | 160.5 | 163.6 | 71.7 | 0 | 0 | 0 | 0 | 110.6 | K1951 E1952 L1953 D1986 C1987 | T1949-K1951 PolarHBondContact O-N 3.22Å; T1949-E1952 PolarHBondContact N-OE2 3.49Å; T1949-E1952 PolarHBondContact O-N 3.07Å; T1949-E1952 VanDerWaalsContact OG1-CG 3.3Å; T1949-E1952 WeakPolarHBondContact OG1-CG 3.14Å; T1949-E1952 PolarHBondContact OG1-N 3.24Å; T1949-E1952 VanDerWaalsContact OG1-N 3.16Å; T1949-L1953 WeakPolarHBondContact O-CB 3.42Å; T1949-L1953 PolarHBondContact O-N 3.39Å; T1949-D1986 WeakPolarHBondContact CG2-O 3.44Å; T1949-C1987 WeakPolarHBondContact CA-O 3.19Å; T1949-C1987 WeakPolarHBondContact CB-O 3.28Å | ||
| 1950 | P | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -48.2 | -47.1 | 170 | -31.1 | 36 | 0 | 0 | 0 | 112.9 | L1953 L1954 Y1984 S1985 C1987 I1989 L1992 L2000 | P1950-L1953 PolarHBondContact O-N 3.03Å; P1950-L1954 WeakPolarHBondContact O-CB 3.28Å; P1950-L1954 WeakPolarHBondContact O-CG 3.17Å; P1950-L1954 PolarHBondContact O-N 3.44Å; P1950-Y1984 WeakPolarHBondContact CG-O 3.17Å; P1950-S1985 WeakPolarHBondContact CD-O 3.43Å; P1950-C1987 WeakPolarHBondContact CD-O 3.41Å; P1950-I1989 HydrophobicContact CG-CG1 4.33Å; P1950-L1992 HydrophobicContact CG-CD1 3.96Å; P1950-L2000 HydrophobicContact CB-CD1 3.99Å; P1950-L2000 HydrophobicContact CB-CD2 4.09Å; P1950-L2000 HydrophobicContact CG-CD2 4.12Å |
| 1951 | K | 90.7 | Very high | 85.7 | Confident | 80 Ų | 80 | 28.6 Ų | 28.6 | 35% | 0.348 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -60.8 | -48.1 | -179.9 | -167.4 | 178 | -166.7 | 173.4 | 0 | 112.3 | T1949 L1954 T1955 V1972 I1976 S1985 D1986 | T1949-K1951 PolarHBondContact O-N 3.22Å; K1951-L1954 PolarHBondContact O-N 3.46Å; K1951-T1955 WeakPolarHBondContact O-CG2 2.97Å; K1951-T1955 PolarHBondContact O-N 3.44Å; K1951-V1972 HydrophobicContact CG-CG1 4.19Å; K1951-I1976 HydrophobicContact CB-CD1 3.92Å; K1951-I1976 HydrophobicContact CG-CD1 3.89Å; K1951-S1985 WeakPolarHBondContact CB-O 3.3Å; K1951-S1985 PolarHBondContact N-O 3.34Å; K1951-S1985 VanDerWaalsContact N-O 3.08Å; K1951-D1986 WeakPolarHBondContact CD-OD1 3.49Å; K1951-D1986 IonicContact NZ-OD1 3.77Å |
| 1952 | E | 90.9 | Very high | 85.8 | Confident | 31 Ų | 31 | 23.6 Ų | 23.6 | 15% | 0.145 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.5 | -68.7 | 162.2 | 178.2 | 0 | 0 | 112.2 | I1268 R1272 M1948 T1949 L1954 T1955 F1956 | I1268-E1952 HydrophobicContact CD1-CB 4.21Å; I1268-E1952 HydrophobicContact CD1-CG 4.14Å; R1272-E1952 IonicContact CZ-OE1 3.87Å; R1272-E1952 IonicContact CZ-OE2 3.31Å; R1272-E1952 IonicContact NH1-OE1 3.54Å; R1272-E1952 PolarHBondContact NH1-OE1 2.97Å; R1272-E1952 IonicContact NH1-OE2 2.71Å; R1272-E1952 PolarHBondContact NH1-OE2 3.35Å; R1272-E1952 IonicContact NH2-OE1 2.77Å; R1272-E1952 PolarHBondContact NH2-OE1 2.79Å; R1272-E1952 IonicContact NH2-OE2 3.96Å; M1948-E1952 WeakPolarHBondContact CA-OE2 3.03Å; M1948-E1952 HydrophobicContact CB-CB 4.38Å; M1948-E1952 HydrophobicContact CE-CB 3.87Å; T1949-E1952 PolarHBondContact N-OE2 3.49Å; T1949-E1952 PolarHBondContact O-N 3.07Å; T1949-E1952 VanDerWaalsContact OG1-CG 3.3Å; T1949-E1952 WeakPolarHBondContact OG1-CG 3.14Å; T1949-E1952 PolarHBondContact OG1-N 3.24Å; T1949-E1952 VanDerWaalsContact OG1-N 3.16Å; E1952-L1954 PolarHBondContact O-N 3.02Å; E1952-T1955 WeakPolarHBondContact CA-OG1 3.4Å; E1952-T1955 PolarHBondContact O-N 3Å; E1952-T1955 PolarHBondContact O-OG1 3.4Å; E1952-F1956 PolarHBondContact O-N 2.96Å |
| 1953 | L | 90.8 | Very high | 85.3 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | -178.6 | -170.4 | 64 | 0 | 0 | 0 | 111.4 | L1944 C1945 M1948 T1949 P1950 F1956 Y1957 I1989 L2000 I2004 | L1944-L1953 HydrophobicContact CB-CD2 4.28Å; L1944-L1953 HydrophobicContact CD2-CD2 3.69Å; C1945-L1953 HydrophobicContact CB-CD1 4.43Å; M1948-L1953 HydrophobicContact CB-CB 4.36Å; M1948-L1953 HydrophobicContact CE-CD1 4.37Å; M1948-L1953 HydrophobicContact SD-CD1 3.73Å; T1949-L1953 WeakPolarHBondContact O-CB 3.42Å; T1949-L1953 PolarHBondContact O-N 3.39Å; P1950-L1953 PolarHBondContact O-N 3.03Å; L1953-F1956 HydrophobicContact CD1-CD1 4.48Å; L1953-F1956 PolarHBondContact O-N 3.11Å; L1953-Y1957 HydrophobicContact CD1-CD2 4.19Å; L1953-Y1957 HydrophobicContact CD1-CE2 3.71Å; L1953-Y1957 HydrophobicContact CG-CD2 4.13Å; L1953-Y1957 HydrophobicContact CG-CE2 3.96Å; L1953-Y1957 VanDerWaalsContact O-CD2 3.3Å; L1953-Y1957 WeakPolarHBondContact O-CD2 3.45Å; L1953-Y1957 PolarHBondContact O-N 3.25Å; L1953-Y1957 VanDerWaalsContact O-N 3.13Å; L1953-I1989 HydrophobicContact CB-CD1 3.97Å; L1953-I1989 HydrophobicContact CD2-CD1 3.59Å; L1953-I1989 HydrophobicContact CG-CD1 4.38Å; L1953-L2000 HydrophobicContact CD2-CD2 4.11Å; L1953-I2004 HydrophobicContact CD2-CD1 3.75Å; L1953-I2004 HydrophobicContact CG-CD1 4.2Å |
| 1954 | L | 90 | Very high | 84.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 173.3 | -64.2 | 169.5 | 0 | 0 | 0 | 111.2 | P1950 K1951 E1952 Y1957 S1958 V1972 M1975 I1976 I1979 L2000 I2004 I2007 | P1950-L1954 WeakPolarHBondContact O-CB 3.28Å; P1950-L1954 WeakPolarHBondContact O-CG 3.17Å; P1950-L1954 PolarHBondContact O-N 3.44Å; K1951-L1954 PolarHBondContact O-N 3.46Å; E1952-L1954 PolarHBondContact O-N 3.02Å; L1954-Y1957 PolarHBondContact O-N 2.97Å; L1954-S1958 WeakPolarHBondContact O-CB 3.49Å; L1954-S1958 PolarHBondContact O-N 3.23Å; L1954-V1972 HydrophobicContact CB-CB 4.46Å; L1954-V1972 HydrophobicContact CB-CG1 3.8Å; L1954-V1972 HydrophobicContact CB-CG2 4Å; L1954-V1972 HydrophobicContact CD1-CG1 4.49Å; L1954-M1975 HydrophobicContact CD2-CG 4.35Å; L1954-I1976 HydrophobicContact CD1-CD1 4.4Å; L1954-I1976 HydrophobicContact CD1-CG1 3.54Å; L1954-I1979 HydrophobicContact CD1-CD1 4.18Å; L1954-I1979 HydrophobicContact CD2-CD1 4.21Å; L1954-L2000 HydrophobicContact CD1-CD1 4.04Å; L1954-L2000 HydrophobicContact CD2-CD1 3.89Å; L1954-L2000 HydrophobicContact CG-CD1 3.84Å; L1954-I2004 HydrophobicContact CD2-CG1 4.33Å; L1954-I2007 HydrophobicContact CB-CD1 4.28Å; L1954-I2007 HydrophobicContact CD2-CD1 3.48Å; L1954-I2007 VanDerWaalsContact CD2-CD1 3.48Å; L1954-I2007 HydrophobicContact CD2-CG1 4.37Å; L1954-I2007 HydrophobicContact CG-CD1 4.48Å |
| 1955 | T | 89 | Confident | 83.6 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 14% | 0.135 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 172.5 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | K1951 E1952 Y1957 S1958 Y1959 V1972 | K1951-T1955 WeakPolarHBondContact O-CG2 2.97Å; K1951-T1955 PolarHBondContact O-N 3.44Å; E1952-T1955 WeakPolarHBondContact CA-OG1 3.4Å; E1952-T1955 PolarHBondContact O-N 3Å; E1952-T1955 PolarHBondContact O-OG1 3.4Å; T1955-Y1957 PolarHBondContact O-N 3.45Å; T1955-S1958 WeakPolarHBondContact O-CB 3.28Å; T1955-S1958 PolarHBondContact O-N 2.86Å; T1955-S1958 VanDerWaalsContact O-N 3.14Å; T1955-S1958 PolarHBondContact O-OG 3.44Å; T1955-Y1959 WeakPolarHBondContact O-CD2 3.42Å; T1955-Y1959 PolarHBondContact O-N 2.98Å; T1955-V1972 HydrophobicContact CG2-CB 4.29Å; T1955-V1972 HydrophobicContact CG2-CG1 4.18Å; T1955-V1972 HydrophobicContact CG2-CG2 3.85Å |
| 1956 | F | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.6 | -50.5 | 177.6 | 168.8 | -100.1 | 0 | 0 | 0 | 111.8 | A1261 K1265 Q1615 M1948 E1952 L1953 S1958 Y1959 L1960 | A1261-F1956 HydrophobicContact CB-CD2 3.94Å; A1261-F1956 HydrophobicContact CB-CE2 4.17Å; A1261-F1956 WeakPolarHBondContact O-CD2 3.26Å; K1265-F1956 HydrophobicContact CB-CD2 3.87Å; K1265-F1956 HydrophobicContact CB-CE2 3.87Å; K1265-F1956 HydrophobicContact CD-CD2 4.11Å; K1265-F1956 HydrophobicContact CD-CE1 4.02Å; K1265-F1956 HydrophobicContact CD-CE2 3.57Å; K1265-F1956 HydrophobicContact CD-CZ 3.51Å; K1265-F1956 HydrophobicContact CG-CE2 4.37Å; Q1615-F1956 HydrophobicContact CG-CE1 3.94Å; Q1615-F1956 HydrophobicContact CG-CZ 4.04Å; M1948-F1956 HydrophobicContact CE-CB 4.12Å; E1952-F1956 PolarHBondContact O-N 2.96Å; L1953-F1956 HydrophobicContact CD1-CD1 4.48Å; L1953-F1956 PolarHBondContact O-N 3.11Å; F1956-S1958 VanDerWaalsContact C-N 3.31Å; F1956-S1958 PolarHBondContact O-N 3.45Å; F1956-Y1959 PolarHBondContact O-N 3.16Å; F1956-L1960 HydrophobicContact CD1-CD1 4.41Å; F1956-L1960 HydrophobicContact CE1-CD1 3.73Å; F1956-L1960 HydrophobicContact CE2-CD1 4.38Å; F1956-L1960 HydrophobicContact CZ-CD1 3.71Å; F1956-L1960 HydrophobicContact CZ-CG 4.47Å; F1956-L1960 PolarHBondContact O-N 3.22Å |
| 1957 | Y | 88.8 | Confident | 82.8 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.2 | -28.4 | 176.5 | -75.1 | -68.2 | 0 | 0 | 0 | 113.3 | L1614 Q1615 L1953 L1954 T1955 Y1959 L1960 K1961 I2004 | L1614-Y1957 HydrophobicContact CD2-CD1 4.49Å; L1614-Y1957 HydrophobicContact CD2-CE1 3.62Å; L1614-Y1957 HydrophobicContact CD2-CE2 4.43Å; L1614-Y1957 WeakPolarHBondContact CD2-OH 3.39Å; Q1615-Y1957 HydrophobicContact CG-CE1 4.41Å; L1953-Y1957 HydrophobicContact CD1-CD2 4.19Å; L1953-Y1957 HydrophobicContact CD1-CE2 3.71Å; L1953-Y1957 HydrophobicContact CG-CD2 4.13Å; L1953-Y1957 HydrophobicContact CG-CE2 3.96Å; L1953-Y1957 VanDerWaalsContact O-CD2 3.3Å; L1953-Y1957 WeakPolarHBondContact O-CD2 3.45Å; L1953-Y1957 PolarHBondContact O-N 3.25Å; L1953-Y1957 VanDerWaalsContact O-N 3.13Å; L1954-Y1957 PolarHBondContact O-N 2.97Å; T1955-Y1957 PolarHBondContact O-N 3.45Å; Y1957-Y1959 VanDerWaalsContact C-N 3.33Å; Y1957-Y1959 PolarHBondContact O-N 3.03Å; Y1957-L1960 HydrophobicContact CD1-CD1 4.09Å; Y1957-L1960 HydrophobicContact CE1-CD1 4.27Å; Y1957-L1960 PolarHBondContact O-N 3.31Å; Y1957-K1961 PolarHBondContact O-N 3.26Å; Y1957-I2004 HydrophobicContact CD1-CG2 3.94Å; Y1957-I2004 HydrophobicContact CD2-CB 4.37Å; Y1957-I2004 HydrophobicContact CD2-CD1 4.04Å; Y1957-I2004 HydrophobicContact CD2-CG1 3.86Å; Y1957-I2004 HydrophobicContact CD2-CG2 3.56Å; Y1957-I2004 HydrophobicContact CE1-CG2 4.12Å; Y1957-I2004 HydrophobicContact CE2-CD1 3.82Å; Y1957-I2004 HydrophobicContact CE2-CG1 4.13Å; Y1957-I2004 HydrophobicContact CE2-CG2 3.73Å; Y1957-I2004 HydrophobicContact CG-CG2 3.68Å |
| 1958 | S | 86.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -36 | 172.7 | 86.2 | 0 | 0 | 0 | 0 | 112.4 | L1954 T1955 F1956 L1960 Y1962 H1968 | L1954-S1958 WeakPolarHBondContact O-CB 3.49Å; L1954-S1958 PolarHBondContact O-N 3.23Å; T1955-S1958 WeakPolarHBondContact O-CB 3.28Å; T1955-S1958 PolarHBondContact O-N 2.86Å; T1955-S1958 VanDerWaalsContact O-N 3.14Å; T1955-S1958 PolarHBondContact O-OG 3.44Å; F1956-S1958 VanDerWaalsContact C-N 3.31Å; F1956-S1958 PolarHBondContact O-N 3.45Å; S1958-L1960 VanDerWaalsContact C-N 3.34Å; S1958-Y1962 WeakPolarHBondContact O-CB 3.41Å; S1958-Y1962 PolarHBondContact O-N 3.49Å; S1958-H1968 PolarHBondContact O-CE1 3.34Å; S1958-H1968 VanDerWaalsContact O-CE1 3.28Å; S1958-H1968 PolarHBondContact O-ND1 2.88Å; S1958-H1968 PolarHBondContact OG-ND1 3.12Å |
| 1959 | Y | 85.7 | Confident | 82.7 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 26% | 0.263 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -73.4 | -24.2 | 175.6 | -75.7 | -64.5 | 0 | 0 | 0 | 113.6 | A1261 T1955 F1956 Y1957 H1968 | A1261-Y1959 HydrophobicContact CB-CG 4.42Å; T1955-Y1959 WeakPolarHBondContact O-CD2 3.42Å; T1955-Y1959 PolarHBondContact O-N 2.98Å; F1956-Y1959 PolarHBondContact O-N 3.16Å; Y1957-Y1959 VanDerWaalsContact C-N 3.33Å; Y1957-Y1959 PolarHBondContact O-N 3.03Å; Y1959-H1968 AromaticContact CD1-CD2 3.8Å; Y1959-H1968 AromaticContact CD1-CE1 3.46Å; Y1959-H1968 VanDerWaalsContact CD1-CE1 3.46Å; Y1959-H1968 WeakPolarHBondContact CD1-CE1 3.22Å; Y1959-H1968 AromaticContact CD1-ND1 3.8Å; Y1959-H1968 AromaticContact CD1-NE2 3.42Å; Y1959-H1968 WeakPolarHBondContact CD1-NE2 3.3Å; Y1959-H1968 AromaticContact CE1-CD2 3.41Å; Y1959-H1968 VanDerWaalsContact CE1-CD2 3.41Å; Y1959-H1968 WeakPolarHBondContact CE1-CD2 3.46Å; Y1959-H1968 AromaticContact CE1-CE1 3.91Å; Y1959-H1968 AromaticContact CE1-CG 3.77Å; Y1959-H1968 AromaticContact CE1-NE2 3.5Å; Y1959-H1968 WeakPolarHBondContact CE1-NE2 3.29Å |
| 1960 | L | 82.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -79.5 | -36.2 | 173.3 | -65.9 | -178.8 | 0 | 0 | 0 | 112.4 | P1253 M1258 L1620 F1956 Y1957 S1958 | P1253-L1960 WeakPolarHBondContact CG-O 3.28Å; M1258-L1960 HydrophobicContact CB-CD2 4.39Å; M1258-L1960 HydrophobicContact CG-CD2 4.22Å; L1620-L1960 HydrophobicContact CB-CD2 4.24Å; L1620-L1960 HydrophobicContact CD1-CD2 4.16Å; F1956-L1960 HydrophobicContact CD1-CD1 4.41Å; F1956-L1960 HydrophobicContact CE1-CD1 3.73Å; F1956-L1960 HydrophobicContact CE2-CD1 4.38Å; F1956-L1960 HydrophobicContact CZ-CD1 3.71Å; F1956-L1960 HydrophobicContact CZ-CG 4.47Å; F1956-L1960 PolarHBondContact O-N 3.22Å; Y1957-L1960 HydrophobicContact CD1-CD1 4.09Å; Y1957-L1960 HydrophobicContact CE1-CD1 4.27Å; Y1957-L1960 PolarHBondContact O-N 3.31Å; S1958-L1960 VanDerWaalsContact C-N 3.34Å |
| 1961 | K | 80.2 | Confident | 82.1 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -98.2 | -21.2 | -174.8 | -66.2 | -169.8 | 179.9 | -177 | 0 | 115.7 | Y1957 I2004 A2005 I2007 | Y1957-K1961 PolarHBondContact O-N 3.26Å; K1961-I2004 PolarHBondContact NZ-O 2.78Å; K1961-I2004 VanDerWaalsContact NZ-O 3.07Å; K1961-A2005 PolarHBondContact NZ-O 3.11Å; K1961-I2007 HydrophobicContact CB-CG2 4.35Å; K1961-I2007 HydrophobicContact CD-CB 4.35Å; K1961-I2007 HydrophobicContact CD-CG2 4.08Å; K1961-I2007 WeakPolarHBondContact CD-O 3.44Å; K1961-I2007 WeakPolarHBondContact CE-O 3.41Å; K1961-I2007 PolarHBondContact NZ-O 3.41Å |
| 1962 | Y | 77.6 | Confident | 82 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -112.4 | 147.2 | 179.9 | -63.2 | -67 | 0 | 0 | 0 | 113.3 | S1958 Y1966 Q1971 I2007 G2008 | S1958-Y1962 WeakPolarHBondContact O-CB 3.41Å; S1958-Y1962 PolarHBondContact O-N 3.49Å; Y1962-Y1966 AromaticContact CD1-CD1 3.57Å; Y1962-Y1966 HydrophobicContact CD1-CD1 3.57Å; Y1962-Y1966 AromaticContact CD1-CE1 3.73Å; Y1962-Y1966 HydrophobicContact CD1-CE1 3.73Å; Y1962-Y1966 HydrophobicContact CD1-CG 4.39Å; Y1962-Y1966 HydrophobicContact CD2-CD1 4.14Å; Y1962-Y1966 AromaticContact CE1-CD1 3.99Å; Y1962-Y1966 HydrophobicContact CE1-CD1 3.99Å; Y1962-Y1966 AromaticContact CE1-CE1 3.68Å; Y1962-Y1966 HydrophobicContact CE1-CE1 3.68Å; Y1962-Y1966 HydrophobicContact CE2-CD1 4.5Å; Y1962-Y1966 AromaticContact CG-CD1 3.66Å; Y1962-Y1966 HydrophobicContact CG-CD1 3.66Å; Y1962-Y1966 HydrophobicContact CG-CE1 4.23Å; Y1962-Y1966 HydrophobicContact CG-CG 4.46Å; Y1962-Q1971 HydrophobicContact CE2-CB 4.46Å; Y1962-I2007 HydrophobicContact CE2-CG2 3.91Å; Y1962-G2008 PolarHBondContact OH-N 3.4Å |
| 1963 | P | 71.1 | Confident | 81.9 | Confident | 55 Ų | 55 | 46.3 Ų | 46.3 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | trans | -70.9 | 159.4 | 175.6 | 31.4 | -36.3 | 0 | 0 | 0 | 112.4 | H1965 Y1966 | P1963-H1965 PolarHBondContact O-N 3.4Å; P1963-Y1966 WeakPolarHBondContact O-CB 3.06Å; P1963-Y1966 PolarHBondContact O-N 3.46Å | ||
| 1964 | H | 65.2 | Low | 81.6 | Confident | 73 Ų | 73 | 53 Ų | 53 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23 | -166.5 | -130.3 | -7.8 | 0 | 0 | 0 | 115.8 | N1257 Y1966 H1968 | N1257-H1964 PolarHBondContact ND2-N 2.86Å; N1257-H1964 PolarHBondContact OD1-CD2 2.89Å; H1964-Y1966 VanDerWaalsContact C-N 3.31Å; H1964-H1968 AromaticContact CE1-NE2 3.76Å |
| 1965 | H | 63.9 | Low | 81.5 | Confident | 193 Ų | 193 | 54.3 Ų | 54.3 | 89% | 0.894 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1.7 | 179.3 | -60.6 | -80.4 | 0 | 0 | 0 | 114 | P1963 | P1963-H1965 PolarHBondContact O-N 3.4Š|
| 1966 | Y | 69.5 | Low | 81.5 | Confident | 81 Ų | 81 | 53.7 Ų | 53.7 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -86.1 | 139.3 | -177.5 | -142 | -125.1 | 0 | 0 | 0 | 111.4 | Y1962 P1963 H1964 H1968 Q1971 | Y1962-Y1966 AromaticContact CD1-CD1 3.57Å; Y1962-Y1966 HydrophobicContact CD1-CD1 3.57Å; Y1962-Y1966 AromaticContact CD1-CE1 3.73Å; Y1962-Y1966 HydrophobicContact CD1-CE1 3.73Å; Y1962-Y1966 HydrophobicContact CD1-CG 4.39Å; Y1962-Y1966 HydrophobicContact CD2-CD1 4.14Å; Y1962-Y1966 AromaticContact CE1-CD1 3.99Å; Y1962-Y1966 HydrophobicContact CE1-CD1 3.99Å; Y1962-Y1966 AromaticContact CE1-CE1 3.68Å; Y1962-Y1966 HydrophobicContact CE1-CE1 3.68Å; Y1962-Y1966 HydrophobicContact CE2-CD1 4.5Å; Y1962-Y1966 AromaticContact CG-CD1 3.66Å; Y1962-Y1966 HydrophobicContact CG-CD1 3.66Å; Y1962-Y1966 HydrophobicContact CG-CE1 4.23Å; Y1962-Y1966 HydrophobicContact CG-CG 4.46Å; P1963-Y1966 WeakPolarHBondContact O-CB 3.06Å; P1963-Y1966 PolarHBondContact O-N 3.46Å; H1964-Y1966 VanDerWaalsContact C-N 3.31Å; Y1966-H1968 VanDerWaalsContact C-N 3.32Å; Y1966-H1968 PolarHBondContact O-CD2 3.08Å; Y1966-H1968 PolarHBondContact O-N 2.83Å; Y1966-Q1971 HydrophobicContact CD1-CG 3.84Å; Y1966-Q1971 HydrophobicContact CE1-CG 3.63Å; Y1966-Q1971 VanDerWaalsContact CE1-NE2 3.34Å; Y1966-Q1971 PolarHBondContact OH-NE2 3.33Å |
| 1967 | N | 80 | Confident | 81.3 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | trans | -76.2 | 84.3 | -179.9 | -171 | -9.2 | 0 | 0 | 0 | 111.6 | T1969 N1970 Q1971 | N1967-T1969 VanDerWaalsContact C-N 3.26Å; N1967-T1969 PolarHBondContact O-N 3.35Å; N1967-T1969 PolarHBondContact OD1-N 3.17Å; N1967-T1969 PolarHBondContact OD1-OG1 3.17Å; N1967-N1970 PolarHBondContact ND2-ND2 3.36Å; N1967-N1970 PolarHBondContact O-N 3.07Å; N1967-Q1971 WeakPolarHBondContact O-CG 3.43Å; N1967-Q1971 PolarHBondContact O-N 3.15Å | ||
| 1968 | H | 81.5 | Confident | 81.1 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.5 | -37.2 | -178.5 | -66.4 | -82.9 | 0 | 0 | 0 | 113.7 | S1958 Y1959 H1964 Y1966 V1972 | S1958-H1968 PolarHBondContact O-CE1 3.34Å; S1958-H1968 VanDerWaalsContact O-CE1 3.28Å; S1958-H1968 PolarHBondContact O-ND1 2.88Å; S1958-H1968 PolarHBondContact OG-ND1 3.12Å; Y1959-H1968 AromaticContact CD1-CD2 3.8Å; Y1959-H1968 AromaticContact CD1-CE1 3.46Å; Y1959-H1968 VanDerWaalsContact CD1-CE1 3.46Å; Y1959-H1968 WeakPolarHBondContact CD1-CE1 3.22Å; Y1959-H1968 AromaticContact CD1-ND1 3.8Å; Y1959-H1968 AromaticContact CD1-NE2 3.42Å; Y1959-H1968 WeakPolarHBondContact CD1-NE2 3.3Å; Y1959-H1968 AromaticContact CE1-CD2 3.41Å; Y1959-H1968 VanDerWaalsContact CE1-CD2 3.41Å; Y1959-H1968 WeakPolarHBondContact CE1-CD2 3.46Å; Y1959-H1968 AromaticContact CE1-CE1 3.91Å; Y1959-H1968 AromaticContact CE1-CG 3.77Å; Y1959-H1968 AromaticContact CE1-NE2 3.5Å; Y1959-H1968 WeakPolarHBondContact CE1-NE2 3.29Å; H1964-H1968 AromaticContact CE1-NE2 3.76Å; Y1966-H1968 VanDerWaalsContact C-N 3.32Å; Y1966-H1968 PolarHBondContact O-CD2 3.08Å; Y1966-H1968 PolarHBondContact O-N 2.83Å; H1968-V1972 WeakPolarHBondContact O-CB 3.46Å; H1968-V1972 VanDerWaalsContact O-CG2 3.31Å; H1968-V1972 WeakPolarHBondContact O-CG2 3.45Å; H1968-V1972 PolarHBondContact O-N 3.01Å |
| 1969 | T | 84 | Confident | 81.1 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.2 | -45.1 | -175.6 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | N1967 Q1971 V1972 N1973 | N1967-T1969 VanDerWaalsContact C-N 3.26Å; N1967-T1969 PolarHBondContact O-N 3.35Å; N1967-T1969 PolarHBondContact OD1-N 3.17Å; N1967-T1969 PolarHBondContact OD1-OG1 3.17Å; T1969-Q1971 VanDerWaalsContact C-N 3.34Å; T1969-Q1971 PolarHBondContact O-N 3.15Å; T1969-V1972 PolarHBondContact O-N 2.78Å; T1969-N1973 VanDerWaalsContact O-CG 3.26Å; T1969-N1973 PolarHBondContact O-N 2.78Å; T1969-N1973 PolarHBondContact O-ND2 2.99Å |
| 1970 | N | 84.9 | Confident | 80.9 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.4 | -76.2 | 9.9 | 0 | 0 | 0 | 111.4 | N1967 N1973 K1974 | N1967-N1970 PolarHBondContact ND2-ND2 3.36Å; N1967-N1970 PolarHBondContact O-N 3.07Å; N1970-N1973 PolarHBondContact O-N 3.18Å; N1970-K1974 WeakPolarHBondContact O-CG 3.33Å; N1970-K1974 PolarHBondContact O-N 2.96Å |
| 1971 | Q | 82.3 | Confident | 81 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.8 | -67.2 | -63.9 | -20.6 | 0 | 0 | 111.9 | Y1962 Y1966 N1967 T1969 K1974 M1975 | Y1962-Q1971 HydrophobicContact CE2-CB 4.46Å; Y1966-Q1971 HydrophobicContact CD1-CG 3.84Å; Y1966-Q1971 HydrophobicContact CE1-CG 3.63Å; Y1966-Q1971 VanDerWaalsContact CE1-NE2 3.34Å; Y1966-Q1971 PolarHBondContact OH-NE2 3.33Å; N1967-Q1971 WeakPolarHBondContact O-CG 3.43Å; N1967-Q1971 PolarHBondContact O-N 3.15Å; T1969-Q1971 VanDerWaalsContact C-N 3.34Å; T1969-Q1971 PolarHBondContact O-N 3.15Å; Q1971-K1974 PolarHBondContact O-N 3.31Å; Q1971-M1975 VanDerWaalsContact O-CB 3.29Å; Q1971-M1975 WeakPolarHBondContact O-CB 3.2Å; Q1971-M1975 PolarHBondContact O-N 2.97Å |
| 1972 | V | 88 | Confident | 81.2 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 176.6 | 167.9 | 0 | 0 | 0 | 0 | 112.2 | K1951 L1954 T1955 H1968 T1969 M1975 I1976 | K1951-V1972 HydrophobicContact CG-CG1 4.19Å; L1954-V1972 HydrophobicContact CB-CB 4.46Å; L1954-V1972 HydrophobicContact CB-CG1 3.8Å; L1954-V1972 HydrophobicContact CB-CG2 4Å; L1954-V1972 HydrophobicContact CD1-CG1 4.49Å; T1955-V1972 HydrophobicContact CG2-CB 4.29Å; T1955-V1972 HydrophobicContact CG2-CG1 4.18Å; T1955-V1972 HydrophobicContact CG2-CG2 3.85Å; H1968-V1972 WeakPolarHBondContact O-CB 3.46Å; H1968-V1972 VanDerWaalsContact O-CG2 3.31Å; H1968-V1972 WeakPolarHBondContact O-CG2 3.45Å; H1968-V1972 PolarHBondContact O-N 3.01Å; T1969-V1972 PolarHBondContact O-N 2.78Å; V1972-M1975 WeakPolarHBondContact O-CB 3.3Å; V1972-M1975 PolarHBondContact O-N 2.96Å; V1972-I1976 HydrophobicContact CG1-CD1 3.82Å; V1972-I1976 HydrophobicContact CG1-CG1 4.36Å; V1972-I1976 VanDerWaalsContact O-CG1 3.29Å; V1972-I1976 WeakPolarHBondContact O-CG1 3.45Å; V1972-I1976 PolarHBondContact O-N 3.18Å |
| 1973 | N | 88.3 | Confident | 81.3 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 40% | 0.401 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -47.3 | 176.5 | -68.9 | -19.1 | 0 | 0 | 0 | 111.4 | T1969 N1970 M1975 I1976 Q1977 | T1969-N1973 VanDerWaalsContact O-CG 3.26Å; T1969-N1973 PolarHBondContact O-N 2.78Å; T1969-N1973 PolarHBondContact O-ND2 2.99Å; N1970-N1973 PolarHBondContact O-N 3.18Å; N1973-M1975 PolarHBondContact O-N 3.35Å; N1973-I1976 PolarHBondContact O-N 3.06Å; N1973-Q1977 PolarHBondContact O-N 2.95Å; N1973-Q1977 VanDerWaalsContact O-N 3.07Å |
| 1974 | K | 84.3 | Confident | 81.9 | Confident | 146 Ų | 146 | 67.9 Ų | 67.9 | 64% | 0.635 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.1 | -37.2 | 171.4 | -73 | -165.4 | 175.7 | -162.6 | 0 | 111.2 | N1970 Q1971 Q1977 F1978 | N1970-K1974 WeakPolarHBondContact O-CG 3.33Å; N1970-K1974 PolarHBondContact O-N 2.96Å; Q1971-K1974 PolarHBondContact O-N 3.31Å; K1974-Q1977 PolarHBondContact O-N 2.94Å; K1974-F1978 WeakPolarHBondContact O-CB 3.5Å; K1974-F1978 PolarHBondContact O-N 3.27Å |
| 1975 | M | 87.7 | Confident | 82.8 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.6 | -42.9 | 177.5 | -154.6 | 68.1 | -159.6 | 0 | 0 | 113.5 | L1954 Q1971 V1972 N1973 Q1977 F1978 I1979 G2003 F2006 I2007 | L1954-M1975 HydrophobicContact CD2-CG 4.35Å; Q1971-M1975 VanDerWaalsContact O-CB 3.29Å; Q1971-M1975 WeakPolarHBondContact O-CB 3.2Å; Q1971-M1975 PolarHBondContact O-N 2.97Å; V1972-M1975 WeakPolarHBondContact O-CB 3.3Å; V1972-M1975 PolarHBondContact O-N 2.96Å; N1973-M1975 PolarHBondContact O-N 3.35Å; M1975-Q1977 PolarHBondContact O-N 3.2Å; M1975-F1978 HydrophobicContact CE-CD1 3.62Å; M1975-F1978 HydrophobicContact CE-CE1 3.9Å; M1975-F1978 PolarHBondContact O-N 3.26Å; M1975-F1978 HydrophobicContact SD-CD1 4.23Å; M1975-I1979 HydrophobicContact CE-CD1 4.26Å; M1975-I1979 HydrophobicContact CE-CG1 4.33Å; M1975-I1979 HydrophobicContact CG-CD1 3.84Å; M1975-I1979 WeakPolarHBondContact O-CB 3.46Å; M1975-I1979 VanDerWaalsContact O-CD1 3.26Å; M1975-I1979 WeakPolarHBondContact O-CD1 3.31Å; M1975-I1979 WeakPolarHBondContact O-CG1 3Å; M1975-I1979 PolarHBondContact O-N 3.14Å; M1975-G2003 WeakPolarHBondContact CE-O 3.33Å; M1975-F2006 HydrophobicContact CE-CB 3.38Å; M1975-F2006 HydrophobicContact CE-CG 4.41Å; M1975-I2007 HydrophobicContact CE-CG1 4.46Å; M1975-I2007 HydrophobicContact CG-CG1 4.07Å; M1975-I2007 HydrophobicContact SD-CG1 4.3Å |
| 1976 | I | 88.8 | Confident | 83.8 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.046 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 175.3 | -68.7 | 163.4 | 0 | 0 | 0 | 110.8 | K1951 L1954 V1972 N1973 G1980 L1981 Q1982 | K1951-I1976 HydrophobicContact CB-CD1 3.92Å; K1951-I1976 HydrophobicContact CG-CD1 3.89Å; L1954-I1976 HydrophobicContact CD1-CD1 4.4Å; L1954-I1976 HydrophobicContact CD1-CG1 3.54Å; V1972-I1976 HydrophobicContact CG1-CD1 3.82Å; V1972-I1976 HydrophobicContact CG1-CG1 4.36Å; V1972-I1976 VanDerWaalsContact O-CG1 3.29Å; V1972-I1976 WeakPolarHBondContact O-CG1 3.45Å; V1972-I1976 PolarHBondContact O-N 3.18Å; N1973-I1976 PolarHBondContact O-N 3.06Å; I1976-G1980 PolarHBondContact O-N 3.13Å; I1976-G1980 VanDerWaalsContact O-N 3.16Å; I1976-L1981 HydrophobicContact CG2-CB 4.43Å; I1976-L1981 PolarHBondContact O-N 2.9Å; I1976-Q1982 HydrophobicContact CG2-CG 4.42Å |
| 1977 | Q | 86.4 | Confident | 84.3 | Confident | 129 Ų | 129 | 59.3 Ų | 59.3 | 60% | 0.603 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.3 | -50.6 | 174.8 | 179.6 | 174.6 | -5 | 0 | 0 | 111.8 | N1973 K1974 M1975 I1979 G1980 | N1973-Q1977 PolarHBondContact O-N 2.95Å; N1973-Q1977 VanDerWaalsContact O-N 3.07Å; K1974-Q1977 PolarHBondContact O-N 2.94Å; M1975-Q1977 PolarHBondContact O-N 3.2Å; Q1977-I1979 VanDerWaalsContact C-N 3.26Å; Q1977-I1979 PolarHBondContact O-N 3.19Å; Q1977-G1980 PolarHBondContact O-N 3.4Å |
| 1978 | F | 85 | Confident | 84.5 | Confident | 53 Ų | 53 | 59 Ų | 59 | 23% | 0.232 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.5 | -39 | 175.3 | -179.6 | -103.6 | 0 | 0 | 0 | 112.5 | K1974 M1975 F2006 L2029 N2033 | K1974-F1978 WeakPolarHBondContact O-CB 3.5Å; K1974-F1978 PolarHBondContact O-N 3.27Å; M1975-F1978 HydrophobicContact CE-CD1 3.62Å; M1975-F1978 HydrophobicContact CE-CE1 3.9Å; M1975-F1978 PolarHBondContact O-N 3.26Å; M1975-F1978 HydrophobicContact SD-CD1 4.23Å; F1978-F2006 HydrophobicContact CE1-CB 4.28Å; F1978-F2006 AromaticContact CE1-CD2 3.95Å; F1978-F2006 HydrophobicContact CE1-CD2 3.95Å; F1978-F2006 HydrophobicContact CE1-CE2 4.42Å; F1978-F2006 HydrophobicContact CE1-CG 4.05Å; F1978-L2029 WeakPolarHBondContact O-CD2 3.45Å; F1978-N2033 HydrophobicContact CE1-CB 3.76Å; F1978-N2033 HydrophobicContact CE2-CB 3.87Å; F1978-N2033 WeakPolarHBondContact CE2-OD1 3.38Å; F1978-N2033 HydrophobicContact CZ-CB 3.38Å; F1978-N2033 VanDerWaalsContact CZ-CG 3.45Å; F1978-N2033 PolarHBondContact O-ND2 2.83Å |
| 1979 | I | 84.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -80.7 | -18 | 179.8 | -61.8 | 160.5 | 0 | 0 | 0 | 113 | L1954 M1975 Q1977 L1981 K1999 G2003 L2029 | L1954-I1979 HydrophobicContact CD1-CD1 4.18Å; L1954-I1979 HydrophobicContact CD2-CD1 4.21Å; M1975-I1979 HydrophobicContact CE-CD1 4.26Å; M1975-I1979 HydrophobicContact CE-CG1 4.33Å; M1975-I1979 HydrophobicContact CG-CD1 3.84Å; M1975-I1979 WeakPolarHBondContact O-CB 3.46Å; M1975-I1979 VanDerWaalsContact O-CD1 3.26Å; M1975-I1979 WeakPolarHBondContact O-CD1 3.31Å; M1975-I1979 WeakPolarHBondContact O-CG1 3Å; M1975-I1979 PolarHBondContact O-N 3.14Å; Q1977-I1979 VanDerWaalsContact C-N 3.26Å; Q1977-I1979 PolarHBondContact O-N 3.19Å; I1979-L1981 HydrophobicContact CG2-CB 4.45Å; I1979-L1981 HydrophobicContact CG2-CD1 3.53Å; I1979-L1981 HydrophobicContact CG2-CG 3.8Å; I1979-K1999 VanDerWaalsContact CG2-C 3.47Å; I1979-K1999 HydrophobicContact CG2-CB 3.66Å; I1979-K1999 WeakPolarHBondContact CG2-O 3.13Å; I1979-G2003 VanDerWaalsContact CD1-CA 3.42Å; I1979-L2029 WeakPolarHBondContact O-CD2 3.48Å |
| 1980 | G | 83.3 | Confident | 84.1 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 38.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1976 Q1977 Q1982 | I1976-G1980 PolarHBondContact O-N 3.13Å; I1976-G1980 VanDerWaalsContact O-N 3.16Å; Q1977-G1980 PolarHBondContact O-N 3.4Å; G1980-Q1982 VanDerWaalsContact CA-OE1 3.3Å |
| 1981 | L | 84.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | trans | -113.5 | 16.5 | -178.6 | -77.1 | 174.5 | 0 | 0 | 0 | 114.4 | I1976 I1979 S1983 Y1984 S1985 N1996 K1999 L2000 | I1976-L1981 HydrophobicContact CG2-CB 4.43Å; I1976-L1981 PolarHBondContact O-N 2.9Å; I1979-L1981 HydrophobicContact CG2-CB 4.45Å; I1979-L1981 HydrophobicContact CG2-CD1 3.53Å; I1979-L1981 HydrophobicContact CG2-CG 3.8Å; L1981-S1983 VanDerWaalsContact C-N 3.31Å; L1981-S1983 PolarHBondContact O-N 3.07Å; L1981-Y1984 HydrophobicContact CD2-CD2 4.37Å; L1981-Y1984 CarbonylContact O-C 3.45Å; L1981-Y1984 PolarHBondContact O-N 2.67Å; L1981-S1985 PolarHBondContact O-N 3.3Å; L1981-N1996 HydrophobicContact CD2-CB 3.9Å; L1981-K1999 HydrophobicContact CD1-CB 4.07Å; L1981-K1999 HydrophobicContact CD2-CB 4.48Å; L1981-K1999 HydrophobicContact CG-CB 4.28Å; L1981-L2000 HydrophobicContact CD1-CB 3.94Å; L1981-L2000 HydrophobicContact CD1-CD1 4.46Å | ||
| 1982 | Q | 84.6 | Confident | 83.4 | Confident | 102 Ų | 102 | 55.5 Ų | 55.5 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -51.4 | -45.9 | -176.5 | -58.3 | 88.9 | -31.8 | 0 | 0 | 112.7 | I1976 G1980 Y1984 S1985 | I1976-Q1982 HydrophobicContact CG2-CG 4.42Å; G1980-Q1982 VanDerWaalsContact CA-OE1 3.3Å; Q1982-Y1984 PolarHBondContact O-N 3Å; Q1982-S1985 PolarHBondContact O-N 3.25Å; Q1982-S1985 PolarHBondContact O-OG 3.21Å |
| 1983 | S | 79.9 | Confident | 82.7 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -74.5 | -3.4 | -178.8 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | L1981 | L1981-S1983 VanDerWaalsContact C-N 3.31Å; L1981-S1983 PolarHBondContact O-N 3.07Å |
| 1984 | Y | 83 | Confident | 81.9 | Confident | 90 Ų | 90 | 57 Ų | 57 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -127.3 | 8.4 | 179.1 | -59.5 | -80.2 | 0 | 0 | 0 | 112.7 | P1950 L1981 Q1982 D1986 C1987 L1992 N1996 | P1950-Y1984 WeakPolarHBondContact CG-O 3.17Å; L1981-Y1984 HydrophobicContact CD2-CD2 4.37Å; L1981-Y1984 CarbonylContact O-C 3.45Å; L1981-Y1984 PolarHBondContact O-N 2.67Å; Q1982-Y1984 PolarHBondContact O-N 3Å; Y1984-D1986 VanDerWaalsContact C-N 3.26Å; Y1984-D1986 PolarHBondContact O-N 3.08Å; Y1984-D1986 VanDerWaalsContact O-N 3.16Å; Y1984-C1987 WeakPolarHBondContact O-CB 3.02Å; Y1984-C1987 PolarHBondContact O-N 3.29Å; Y1984-C1987 VanDerWaalsContact O-N 3.08Å; Y1984-L1992 HydrophobicContact CD1-CD2 4.17Å; Y1984-L1992 HydrophobicContact CG-CD2 4.19Å; Y1984-N1996 WeakPolarHBondContact CD2-ND2 3.36Å; Y1984-N1996 WeakPolarHBondContact CE2-ND2 3.47Å |
| 1985 | S | 83.8 | Confident | 81.5 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -38.6 | -170.6 | 53.5 | 0 | 0 | 0 | 0 | 114.6 | P1950 K1951 L1981 Q1982 | P1950-S1985 WeakPolarHBondContact CD-O 3.43Å; K1951-S1985 WeakPolarHBondContact CB-O 3.3Å; K1951-S1985 PolarHBondContact N-O 3.34Å; K1951-S1985 VanDerWaalsContact N-O 3.08Å; L1981-S1985 PolarHBondContact O-N 3.3Å; Q1982-S1985 PolarHBondContact O-N 3.25Å; Q1982-S1985 PolarHBondContact O-OG 3.21Å |
| 1986 | D | 84.4 | Confident | 81.3 | Confident | 96 Ų | 96 | 49.7 Ų | 49.7 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 7.7 | -175.8 | -56.3 | -66.6 | 0 | 0 | 0 | 112.3 | T1949 K1951 Y1984 | T1949-D1986 WeakPolarHBondContact CG2-O 3.44Å; K1951-D1986 WeakPolarHBondContact CD-OD1 3.49Å; K1951-D1986 IonicContact NZ-OD1 3.77Å; Y1984-D1986 VanDerWaalsContact C-N 3.26Å; Y1984-D1986 PolarHBondContact O-N 3.08Å; Y1984-D1986 VanDerWaalsContact O-N 3.16Å |
| 1987 | C | 81.8 | Confident | 81.1 | Confident | 49 Ų | 49 | 51.1 Ų | 51.1 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -74.8 | 144.8 | 170 | -70.2 | 0 | 0 | 0 | 0 | 110.7 | T1949 P1950 Y1984 I1989 L1992 | T1949-C1987 WeakPolarHBondContact CA-O 3.19Å; T1949-C1987 WeakPolarHBondContact CB-O 3.28Å; P1950-C1987 WeakPolarHBondContact CD-O 3.41Å; Y1984-C1987 WeakPolarHBondContact O-CB 3.02Å; Y1984-C1987 PolarHBondContact O-N 3.29Å; Y1984-C1987 VanDerWaalsContact O-N 3.08Å; C1987-I1989 PolarHBondContact O-N 3.35Å; C1987-L1992 HydrophobicContact CB-CD2 4.29Å |
| 1988 | I | 83.5 | Confident | 81.1 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 42% | 0.415 | 28% | 0.275 | S | S | . | . | trans | -67.7 | 130.5 | 176 | -63.4 | 171.3 | 0 | 0 | 0 | 109.4 | E1946 G1990 T1991 | E1946-I1988 WeakPolarHBondContact O-CG2 3.08Å; I1988-G1990 PolarHBondContact O-N 3.48Å; I1988-G1990 VanDerWaalsContact O-N 3.09Å; I1988-T1991 PolarHBondContact O-N 3.42Å; I1988-T1991 PolarHBondContact O-OG1 3.06Å | ||
| 1989 | I | 84.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -55 | -35.8 | -173.2 | -73.2 | 165 | 0 | 0 | 0 | 112.3 | L1944 M1948 P1950 L1953 C1987 T1991 L1992 K1997 L2000 | L1944-I1989 HydrophobicContact CB-CG2 4.01Å; L1944-I1989 HydrophobicContact CD1-CG2 3.95Å; M1948-I1989 HydrophobicContact CB-CD1 4.2Å; M1948-I1989 WeakPolarHBondContact O-CB 3.41Å; M1948-I1989 WeakPolarHBondContact O-CD1 3.31Å; M1948-I1989 WeakPolarHBondContact O-CG1 3.37Å; M1948-I1989 PolarHBondContact O-N 3.16Å; P1950-I1989 HydrophobicContact CG-CG1 4.33Å; L1953-I1989 HydrophobicContact CB-CD1 3.97Å; L1953-I1989 HydrophobicContact CD2-CD1 3.59Å; L1953-I1989 HydrophobicContact CG-CD1 4.38Å; C1987-I1989 PolarHBondContact O-N 3.35Å; I1989-T1991 PolarHBondContact O-N 3.49Å; I1989-T1991 VanDerWaalsContact O-N 3.12Å; I1989-L1992 HydrophobicContact CB-CD1 4.32Å; I1989-L1992 HydrophobicContact CG1-CD1 4.11Å; I1989-L1992 HydrophobicContact CG2-CD1 4.41Å; I1989-L1992 WeakPolarHBondContact O-CB 3.37Å; I1989-L1992 PolarHBondContact O-N 2.84Å; I1989-L1992 VanDerWaalsContact O-N 3.1Å; I1989-K1997 WeakPolarHBondContact O-CE 3.07Å; I1989-L2000 HydrophobicContact CD1-CD2 3.49Å; I1989-L2000 VanDerWaalsContact CD1-CD2 3.49Å; I1989-L2000 HydrophobicContact CG1-CD2 3.68Å |
| 1990 | G | 73.1 | Confident | 81.5 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -51.8 | -30.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1946 I1988 | E1946-G1990 PolarHBondContact O-N 2.95Å; I1988-G1990 PolarHBondContact O-N 3.48Å; I1988-G1990 VanDerWaalsContact O-N 3.09Å |
| 1991 | T | 76.7 | Confident | 81.8 | Confident | 110 Ų | 110 | 42.4 Ų | 42.4 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -91.8 | -3.5 | -178.7 | 69.8 | 0 | 0 | 0 | 0 | 114.6 | I1988 I1989 | I1988-T1991 PolarHBondContact O-N 3.42Å; I1988-T1991 PolarHBondContact O-OG1 3.06Å; I1989-T1991 PolarHBondContact O-N 3.49Å; I1989-T1991 VanDerWaalsContact O-N 3.12Å |
| 1992 | L | 75 | Confident | 82 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -71.2 | 146.3 | 177 | -60 | 176.5 | 0 | 0 | 0 | 111.7 | P1950 Y1984 C1987 I1989 N1996 K1997 | P1950-L1992 HydrophobicContact CG-CD1 3.96Å; Y1984-L1992 HydrophobicContact CD1-CD2 4.17Å; Y1984-L1992 HydrophobicContact CG-CD2 4.19Å; C1987-L1992 HydrophobicContact CB-CD2 4.29Å; I1989-L1992 HydrophobicContact CB-CD1 4.32Å; I1989-L1992 HydrophobicContact CG1-CD1 4.11Å; I1989-L1992 HydrophobicContact CG2-CD1 4.41Å; I1989-L1992 WeakPolarHBondContact O-CB 3.37Å; I1989-L1992 PolarHBondContact O-N 2.84Å; I1989-L1992 VanDerWaalsContact O-N 3.1Å; L1992-N1996 HydrophobicContact CB-CB 4.15Å; L1992-K1997 HydrophobicContact CB-CG 3.84Å; L1992-K1997 WeakPolarHBondContact O-CE 3.29Å |
| 1993 | S | 72.5 | Confident | 82.2 | Confident | 61 Ų | 61 | 37.8 Ų | 37.8 | 43% | 0.427 | 23% | 0.234 | S | C | . | . | trans | -64.2 | 157.9 | 168.3 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | G1995 N1996 K1997 | S1993-G1995 PolarHBondContact O-N 3.18Å; S1993-N1996 WeakPolarHBondContact O-CA 3.19Å; S1993-N1996 PolarHBondContact O-N 3.29Å; S1993-N1996 WeakPolarHBondContact OG-CB 3.42Å; S1993-N1996 PolarHBondContact OG-N 2.93Å; S1993-K1997 PolarHBondContact O-N 3.4Å | ||
| 1994 | G | 72.2 | Confident | 82.7 | Confident | 49 Ų | 49 | 33.4 Ų | 33.4 | 51% | 0.505 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -51.6 | -51.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1996 K1997 R1998 | G1994-N1996 VanDerWaalsContact C-N 3.25Å; G1994-N1996 PolarHBondContact O-N 3.3Å; G1994-K1997 WeakPolarHBondContact O-CB 3.22Å; G1994-K1997 PolarHBondContact O-N 2.99Å; G1994-K1997 VanDerWaalsContact O-N 3.08Å; G1994-R1998 PolarHBondContact O-N 2.84Å |
| 1995 | G | 75.7 | Confident | 83 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -29.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | S1993 K1999 G2021 | S1993-G1995 PolarHBondContact O-N 3.18Å; G1995-K1999 WeakPolarHBondContact O-CB 3.45Å; G1995-K1999 VanDerWaalsContact O-CG 3.23Å; G1995-K1999 WeakPolarHBondContact O-CG 3.48Å; G1995-K1999 PolarHBondContact O-N 3.46Å; G1995-G2021 WeakPolarHBondContact CA-O 3.47Å; G1995-G2021 PolarHBondContact N-O 3.41Å |
| 1996 | N | 84.1 | Confident | 83.2 | Confident | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -80.7 | -29.6 | 175.7 | -74 | 8.3 | 0 | 0 | 0 | 112.5 | L1981 Y1984 L1992 S1993 G1994 L2000 | L1981-N1996 HydrophobicContact CD2-CB 3.9Å; Y1984-N1996 WeakPolarHBondContact CD2-ND2 3.36Å; Y1984-N1996 WeakPolarHBondContact CE2-ND2 3.47Å; L1992-N1996 HydrophobicContact CB-CB 4.15Å; S1993-N1996 WeakPolarHBondContact O-CA 3.19Å; S1993-N1996 PolarHBondContact O-N 3.29Å; S1993-N1996 WeakPolarHBondContact OG-CB 3.42Å; S1993-N1996 PolarHBondContact OG-N 2.93Å; G1994-N1996 VanDerWaalsContact C-N 3.25Å; G1994-N1996 PolarHBondContact O-N 3.3Å; N1996-L2000 PolarHBondContact O-N 3.38Å; N1996-L2000 VanDerWaalsContact O-N 3.15Å |
| 1997 | K | 84.8 | Confident | 83.3 | Confident | 39 Ų | 39 | 24.8 Ų | 24.8 | 17% | 0.17 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.4 | -42.7 | 166.6 | -67.1 | -176.3 | 177.9 | -178 | 0 | 110.5 | D1942 L1944 E1946 I1989 L1992 S1993 G1994 L2000 S2001 | D1942-K1997 HydrophobicContact CB-CB 4.36Å; D1942-K1997 WeakPolarHBondContact OD2-CB 3.36Å; L1944-K1997 HydrophobicContact CD1-CB 3.82Å; L1944-K1997 HydrophobicContact CD1-CG 4.21Å; E1946-K1997 IonicContact OE1-NZ 3.43Å; I1989-K1997 WeakPolarHBondContact O-CE 3.07Å; L1992-K1997 HydrophobicContact CB-CG 3.84Å; L1992-K1997 WeakPolarHBondContact O-CE 3.29Å; S1993-K1997 PolarHBondContact O-N 3.4Å; G1994-K1997 WeakPolarHBondContact O-CB 3.22Å; G1994-K1997 PolarHBondContact O-N 2.99Å; G1994-K1997 VanDerWaalsContact O-N 3.08Å; K1997-L2000 WeakPolarHBondContact O-CB 3.49Å; K1997-L2000 PolarHBondContact O-N 2.68Å; K1997-L2000 VanDerWaalsContact O-N 3.13Å; K1997-S2001 PolarHBondContact O-N 3.36Å |
| 1998 | R | 86.1 | Confident | 83 | Confident | 6 Ų | 6 | 23.1 Ų | 23.1 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58 | -50.2 | 173.9 | -151.6 | 80.9 | -164 | 122.8 | -1.6 | 112.3 | P1939 Q1940 D1942 G1994 L2000 S2001 T2002 D2016 E2017 P2018 N2020 M2022 | P1939-R1998 VanDerWaalsContact O-CZ 3.29Å; P1939-R1998 PolarHBondContact O-NH1 2.93Å; P1939-R1998 PolarHBondContact O-NH2 3.04Å; Q1940-R1998 PolarHBondContact O-NH1 3.45Å; D1942-R1998 IonicContact OD1-CZ 2.89Å; D1942-R1998 IonicContact OD1-NH1 3.78Å; D1942-R1998 PolarHBondContact OD1-NH1 3.4Å; D1942-R1998 PolarHBondContact OD2-N 2.9Å; G1994-R1998 PolarHBondContact O-N 2.84Å; R1998-L2000 VanDerWaalsContact C-N 3.29Å; R1998-L2000 PolarHBondContact O-N 3.1Å; R1998-S2001 WeakPolarHBondContact O-CB 3.47Å; R1998-S2001 PolarHBondContact O-N 3.43Å; R1998-S2001 VanDerWaalsContact O-N 3.08Å; R1998-T2002 PolarHBondContact O-N 3.13Å; R1998-T2002 PolarHBondContact O-OG1 3.06Å; R1998-D2016 PolarHBondContact NH2-O 3.09Å; R1998-E2017 PolarHBondContact NE-O 3.1Å; R1998-E2017 PolarHBondContact NH2-O 2.99Å; R1998-P2018 WeakPolarHBondContact CG-O 3.48Å; R1998-N2020 WeakPolarHBondContact CD-O 3.44Å; R1998-N2020 VanDerWaalsContact CG-O 3.31Å; R1998-N2020 WeakPolarHBondContact CG-O 3.43Å; R1998-M2022 HydrophobicContact CB-CG 4.31Å; R1998-M2022 HydrophobicContact CG-CG 4.39Å |
| 1999 | K | 88.2 | Confident | 82.6 | Confident | 19 Ų | 19 | 23.2 Ų | 23.2 | 8% | 0.083 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -50.3 | -46.4 | 171.5 | -78.4 | 170.6 | -169.9 | 171.4 | 0 | 111.8 | I1979 L1981 G1995 T2002 G2003 M2022 D2023 G2026 | I1979-K1999 VanDerWaalsContact CG2-C 3.47Å; I1979-K1999 HydrophobicContact CG2-CB 3.66Å; I1979-K1999 WeakPolarHBondContact CG2-O 3.13Å; L1981-K1999 HydrophobicContact CD1-CB 4.07Å; L1981-K1999 HydrophobicContact CD2-CB 4.48Å; L1981-K1999 HydrophobicContact CG-CB 4.28Å; G1995-K1999 WeakPolarHBondContact O-CB 3.45Å; G1995-K1999 VanDerWaalsContact O-CG 3.23Å; G1995-K1999 WeakPolarHBondContact O-CG 3.48Å; G1995-K1999 PolarHBondContact O-N 3.46Å; K1999-T2002 PolarHBondContact O-OG1 3.46Å; K1999-T2002 VanDerWaalsContact O-OG1 3.05Å; K1999-G2003 PolarHBondContact O-N 3.31Å; K1999-G2003 VanDerWaalsContact O-N 3.12Å; K1999-M2022 HydrophobicContact CB-CE 4.28Å; K1999-M2022 HydrophobicContact CD-CE 4.31Å; K1999-M2022 HydrophobicContact CG-CE 3.27Å; K1999-D2023 IonicContact NZ-OD1 3.93Å; K1999-D2023 PolarHBondContact NZ-OD1 2.93Å; K1999-D2023 IonicContact NZ-OD2 3.51Å; K1999-G2026 VanDerWaalsContact CE-CA 3.47Å |
| 2000 | L | 90.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.3 | -38.6 | 178 | -175.7 | 58.4 | 0 | 0 | 0 | 113 | L1944 P1950 L1953 L1954 L1981 I1989 N1996 K1997 R1998 G2003 I2004 | L1944-L2000 HydrophobicContact CD1-CB 4.47Å; L1944-L2000 HydrophobicContact CD1-CD2 4.27Å; L1944-L2000 HydrophobicContact CD2-CD2 4.34Å; L1944-L2000 HydrophobicContact CD2-CG 4.19Å; P1950-L2000 HydrophobicContact CB-CD1 3.99Å; P1950-L2000 HydrophobicContact CB-CD2 4.09Å; P1950-L2000 HydrophobicContact CG-CD2 4.12Å; L1953-L2000 HydrophobicContact CD2-CD2 4.11Å; L1954-L2000 HydrophobicContact CD1-CD1 4.04Å; L1954-L2000 HydrophobicContact CD2-CD1 3.89Å; L1954-L2000 HydrophobicContact CG-CD1 3.84Å; L1981-L2000 HydrophobicContact CD1-CB 3.94Å; L1981-L2000 HydrophobicContact CD1-CD1 4.46Å; I1989-L2000 HydrophobicContact CD1-CD2 3.49Å; I1989-L2000 VanDerWaalsContact CD1-CD2 3.49Å; I1989-L2000 HydrophobicContact CG1-CD2 3.68Å; N1996-L2000 PolarHBondContact O-N 3.38Å; N1996-L2000 VanDerWaalsContact O-N 3.15Å; K1997-L2000 WeakPolarHBondContact O-CB 3.49Å; K1997-L2000 PolarHBondContact O-N 2.68Å; K1997-L2000 VanDerWaalsContact O-N 3.13Å; R1998-L2000 VanDerWaalsContact C-N 3.29Å; R1998-L2000 PolarHBondContact O-N 3.1Å; L2000-G2003 WeakPolarHBondContact O-CA 3.26Å; L2000-G2003 PolarHBondContact O-N 3.11Å; L2000-I2004 WeakPolarHBondContact O-CG1 3.24Å; L2000-I2004 PolarHBondContact O-N 3.22Å; L2000-I2004 VanDerWaalsContact O-N 3.15Å |
| 2001 | S | 90 | Very high | 83 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 178 | -167.6 | 0 | 0 | 0 | 0 | 112 | D1942 K1997 R1998 G2003 I2004 A2005 | D1942-S2001 WeakPolarHBondContact OD1-CB 3.3Å; K1997-S2001 PolarHBondContact O-N 3.36Å; R1998-S2001 WeakPolarHBondContact O-CB 3.47Å; R1998-S2001 PolarHBondContact O-N 3.43Å; R1998-S2001 VanDerWaalsContact O-N 3.08Å; S2001-G2003 VanDerWaalsContact C-N 3.27Å; S2001-G2003 PolarHBondContact O-N 3.01Å; S2001-I2004 PolarHBondContact O-N 3.36Å; S2001-I2004 VanDerWaalsContact O-N 3.14Å; S2001-A2005 PolarHBondContact O-N 3.49Å |
| 2002 | T | 88.6 | Confident | 83.6 | Confident | 6 Ų | 6 | 18.5 Ų | 18.5 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.8 | -35.7 | 175.2 | 60 | 0 | 0 | 0 | 0 | 111.2 | C1938 R1998 K1999 I2004 A2005 F2006 P2018 L2030 | C1938-T2002 HydrophobicContact CB-CG2 4.36Å; C1938-T2002 VanDerWaalsContact SG-CG2 3.58Å; R1998-T2002 PolarHBondContact O-N 3.13Å; R1998-T2002 PolarHBondContact O-OG1 3.06Å; K1999-T2002 PolarHBondContact O-OG1 3.46Å; K1999-T2002 VanDerWaalsContact O-OG1 3.05Å; T2002-I2004 PolarHBondContact O-N 3.13Å; T2002-A2005 WeakPolarHBondContact O-CB 3.4Å; T2002-A2005 PolarHBondContact O-N 2.8Å; T2002-A2005 VanDerWaalsContact O-N 3.17Å; T2002-F2006 WeakPolarHBondContact O-CD2 3.47Å; T2002-F2006 PolarHBondContact O-N 3.39Å; T2002-P2018 HydrophobicContact CG2-CB 3.59Å; T2002-L2030 HydrophobicContact CG2-CD1 3.69Å |
| 2003 | G | 88.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -51.4 | -46.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1975 I1979 K1999 L2000 S2001 A2005 F2006 I2007 | M1975-G2003 WeakPolarHBondContact CE-O 3.33Å; I1979-G2003 VanDerWaalsContact CD1-CA 3.42Å; K1999-G2003 PolarHBondContact O-N 3.31Å; K1999-G2003 VanDerWaalsContact O-N 3.12Å; L2000-G2003 WeakPolarHBondContact O-CA 3.26Å; L2000-G2003 PolarHBondContact O-N 3.11Å; S2001-G2003 VanDerWaalsContact C-N 3.27Å; S2001-G2003 PolarHBondContact O-N 3.01Å; G2003-A2005 VanDerWaalsContact C-N 3.27Å; G2003-A2005 PolarHBondContact O-N 3.01Å; G2003-F2006 PolarHBondContact O-N 3.14Å; G2003-I2007 WeakPolarHBondContact O-CG1 3.35Å; G2003-I2007 PolarHBondContact O-N 3.43Å; G2003-I2007 VanDerWaalsContact O-N 3.17Å |
| 2004 | I | 90 | Very high | 85.4 | Confident | 5 Ų | 5 | 15.1 Ų | 15.1 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.1 | -30.6 | -179 | -62.6 | 159.9 | 0 | 0 | 0 | 111.8 | L1614 L1944 L1953 L1954 Y1957 K1961 L2000 S2001 T2002 | L1614-I2004 HydrophobicContact CD2-CG2 3.62Å; L1944-I2004 HydrophobicContact CD2-CD1 3.46Å; L1944-I2004 VanDerWaalsContact CD2-CD1 3.46Å; L1953-I2004 HydrophobicContact CD2-CD1 3.75Å; L1953-I2004 HydrophobicContact CG-CD1 4.2Å; L1954-I2004 HydrophobicContact CD2-CG1 4.33Å; Y1957-I2004 HydrophobicContact CD1-CG2 3.94Å; Y1957-I2004 HydrophobicContact CD2-CB 4.37Å; Y1957-I2004 HydrophobicContact CD2-CD1 4.04Å; Y1957-I2004 HydrophobicContact CD2-CG1 3.86Å; Y1957-I2004 HydrophobicContact CD2-CG2 3.56Å; Y1957-I2004 HydrophobicContact CE1-CG2 4.12Å; Y1957-I2004 HydrophobicContact CE2-CD1 3.82Å; Y1957-I2004 HydrophobicContact CE2-CG1 4.13Å; Y1957-I2004 HydrophobicContact CE2-CG2 3.73Å; Y1957-I2004 HydrophobicContact CG-CG2 3.68Å; K1961-I2004 PolarHBondContact NZ-O 2.78Å; K1961-I2004 VanDerWaalsContact NZ-O 3.07Å; L2000-I2004 WeakPolarHBondContact O-CG1 3.24Å; L2000-I2004 PolarHBondContact O-N 3.22Å; L2000-I2004 VanDerWaalsContact O-N 3.15Å; S2001-I2004 PolarHBondContact O-N 3.36Å; S2001-I2004 VanDerWaalsContact O-N 3.14Å; T2002-I2004 PolarHBondContact O-N 3.13Å |
| 2005 | A | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | G1936 C1938 K1961 S2001 T2002 G2003 I2007 I2013 L2015 | G1936-A2005 WeakPolarHBondContact CA-O 2.95Å; C1938-A2005 HydrophobicContact CB-CB 4.13Å; K1961-A2005 PolarHBondContact NZ-O 3.11Å; S2001-A2005 PolarHBondContact O-N 3.49Å; T2002-A2005 WeakPolarHBondContact O-CB 3.4Å; T2002-A2005 PolarHBondContact O-N 2.8Å; T2002-A2005 VanDerWaalsContact O-N 3.17Å; G2003-A2005 VanDerWaalsContact C-N 3.27Å; G2003-A2005 PolarHBondContact O-N 3.01Å; A2005-I2007 PolarHBondContact O-N 3.34Å; A2005-I2013 HydrophobicContact CB-CG2 4.21Å; A2005-L2015 HydrophobicContact CB-CD2 4.21Å |
| 2006 | F | 87.9 | Confident | 86.9 | Confident | 19 Ų | 19 | 12.8 Ų | 12.8 | 8% | 0.083 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -70.7 | -24.2 | -177.1 | -72.8 | -65.5 | 0 | 0 | 0 | 115.4 | M1975 F1978 T2002 G2003 G2008 I2013 I2034 A2037 | M1975-F2006 HydrophobicContact CE-CB 3.38Å; M1975-F2006 HydrophobicContact CE-CG 4.41Å; F1978-F2006 HydrophobicContact CE1-CB 4.28Å; F1978-F2006 AromaticContact CE1-CD2 3.95Å; F1978-F2006 HydrophobicContact CE1-CD2 3.95Å; F1978-F2006 HydrophobicContact CE1-CE2 4.42Å; F1978-F2006 HydrophobicContact CE1-CG 4.05Å; T2002-F2006 WeakPolarHBondContact O-CD2 3.47Å; T2002-F2006 PolarHBondContact O-N 3.39Å; G2003-F2006 PolarHBondContact O-N 3.14Å; F2006-G2008 PolarHBondContact O-N 3.17Å; F2006-I2013 HydrophobicContact CD1-CD1 3.57Å; F2006-I2013 HydrophobicContact CE1-CD1 3.59Å; F2006-I2034 HydrophobicContact CZ-CG1 3.93Å; F2006-A2037 HydrophobicContact CD1-CB 4.3Å; F2006-A2037 HydrophobicContact CE1-CB 3.72Å |
| 2007 | I | 85.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 12.1 Ų | 12.1 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 139.6 | 175.4 | -67.3 | 169.2 | 0 | 0 | 0 | 110.4 | L1954 K1961 Y1962 M1975 G2003 A2005 | L1954-I2007 HydrophobicContact CB-CD1 4.28Å; L1954-I2007 HydrophobicContact CD2-CD1 3.48Å; L1954-I2007 VanDerWaalsContact CD2-CD1 3.48Å; L1954-I2007 HydrophobicContact CD2-CG1 4.37Å; L1954-I2007 HydrophobicContact CG-CD1 4.48Å; K1961-I2007 HydrophobicContact CB-CG2 4.35Å; K1961-I2007 HydrophobicContact CD-CB 4.35Å; K1961-I2007 HydrophobicContact CD-CG2 4.08Å; K1961-I2007 WeakPolarHBondContact CD-O 3.44Å; K1961-I2007 WeakPolarHBondContact CE-O 3.41Å; K1961-I2007 PolarHBondContact NZ-O 3.41Å; Y1962-I2007 HydrophobicContact CE2-CG2 3.91Å; M1975-I2007 HydrophobicContact CE-CG1 4.46Å; M1975-I2007 HydrophobicContact CG-CG1 4.07Å; M1975-I2007 HydrophobicContact SD-CG1 4.3Å; G2003-I2007 WeakPolarHBondContact O-CG1 3.35Å; G2003-I2007 PolarHBondContact O-N 3.43Å; G2003-I2007 VanDerWaalsContact O-N 3.17Å; A2005-I2007 PolarHBondContact O-N 3.34Å |
| 2008 | G | 75 | Confident | 87 | Confident | 15 Ų | 15 | 10.2 Ų | 10.2 | 16% | 0.155 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -2.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1962 F2006 | Y1962-G2008 PolarHBondContact OH-N 3.4Å; F2006-G2008 PolarHBondContact O-N 3.17Å |
| 2009 | K | 76.8 | Confident | 86.9 | Confident | 82 Ų | 82 | 10 Ų | 10 | 36% | 0.357 | 6% | 0.055 | S | C | . | . | trans | 49 | 62.3 | -170.8 | -62.2 | -170.3 | 174.9 | -170.2 | 0 | 111.4 | Y1242 | Y1242-K2009 PolarHBondContact OH-NZ 3.43Š| ||
| 2010 | P | 82.1 | Confident | 86.3 | Confident | 8 Ų | 8 | 10.7 Ų | 10.7 | 5% | 0.052 | 6% | 0.059 | C | C | . | . | trans | -63.1 | 152.2 | 177.3 | 30.3 | -38.6 | 0 | 0 | 0 | 111.7 | N1934 I2013 C2042 | N1934-P2010 CarbonylContact O-C 3.58Å; N1934-P2010 VanDerWaalsContact O-CA 3.31Å; N1934-P2010 WeakPolarHBondContact O-CA 3.42Å; N1934-P2010 WeakPolarHBondContact O-CB 3.16Å; P2010-I2013 HydrophobicContact CG-CD1 4.09Å; P2010-I2013 HydrophobicContact CG-CG1 3.79Å; P2010-C2042 PolarHBondContact O-SG 2.68Å | ||
| 2011 | S | 84.1 | Confident | 85.4 | Confident | 38 Ų | 38 | 12.8 Ų | 12.8 | 27% | 0.266 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -80.6 | -28.8 | 174.9 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | N1920 N1934 T2043 | N1920-S2011 PolarHBondContact ND2-OG 3.46Å; N1934-S2011 PolarHBondContact O-N 3.19Å; S2011-T2043 PolarHBondContact O-N 3.21Å; S2011-T2043 PolarHBondContact O-OG1 2.99Å |
| 2012 | I | 89.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.6 | -179.2 | -55.9 | 171.3 | 0 | 0 | 0 | 108 | A1858 I1859 L1919 I1935 G1936 L2014 T2043 | A1858-I2012 HydrophobicContact CB-CG1 4.34Å; A1858-I2012 WeakPolarHBondContact O-CD1 3.32Å; I1859-I2012 HydrophobicContact CD1-CG2 3.88Å; I1859-I2012 HydrophobicContact CG1-CD1 4.27Å; I1859-I2012 HydrophobicContact CG1-CG2 4.24Å; L1919-I2012 HydrophobicContact CB-CD1 4.06Å; L1919-I2012 HydrophobicContact CD2-CD1 4.36Å; I1935-I2012 CarbonylContact C-O 3.53Å; I1935-I2012 WeakPolarHBondContact CA-O 3.34Å; G1936-I2012 PolarHBondContact N-O 3.2Å; I2012-L2014 HydrophobicContact CG2-CD2 3.94Å; I2012-L2014 HydrophobicContact CG2-CG 4.34Å; I2012-T2043 CarbonylContact C-O 3.53Å; I2012-T2043 WeakPolarHBondContact CA-OG1 3.24Å; I2012-T2043 WeakPolarHBondContact CG1-OG1 3.37Å |
| 2013 | I | 91.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.2 | 175.6 | -46 | -174.3 | 0 | 0 | 0 | 109.1 | G1936 A2005 F2006 P2010 L2015 A2037 C2042 T2043 I2044 L2045 | G1936-I2013 CarbonylContact O-C 3.48Å; G1936-I2013 WeakPolarHBondContact O-CA 3.41Å; A2005-I2013 HydrophobicContact CB-CG2 4.21Å; F2006-I2013 HydrophobicContact CD1-CD1 3.57Å; F2006-I2013 HydrophobicContact CE1-CD1 3.59Å; P2010-I2013 HydrophobicContact CG-CD1 4.09Å; P2010-I2013 HydrophobicContact CG-CG1 3.79Å; I2013-L2015 HydrophobicContact CG2-CD1 4.42Å; I2013-L2015 HydrophobicContact CG2-CD2 3.65Å; I2013-L2015 HydrophobicContact CG2-CG 3.83Å; I2013-A2037 HydrophobicContact CD1-CB 4.37Å; I2013-C2042 HydrophobicContact CD1-CB 4.21Å; I2013-C2042 HydrophobicContact CG1-CB 4.48Å; I2013-T2043 PolarHBondContact N-O 3.3Å; I2013-I2044 HydrophobicContact CB-CG1 4.29Å; I2013-I2044 CarbonylContact O-C 3.56Å; I2013-I2044 WeakPolarHBondContact O-CA 3.43Å; I2013-L2045 PolarHBondContact O-N 3.46Å |
| 2014 | L | 92.4 | Very high | 83.7 | Confident | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 111.3 | 178.9 | -58.5 | -177.5 | 0 | 0 | 0 | 108.1 | I1859 Y1903 L1906 T1907 I1935 G1936 Y1937 C1938 I2012 L2045 | I1859-L2014 HydrophobicContact CD1-CD2 4.33Å; Y1903-L2014 HydrophobicContact CD1-CB 3.97Å; Y1903-L2014 HydrophobicContact CE1-CB 3.9Å; Y1903-L2014 HydrophobicContact CE1-CD2 4.41Å; L1906-L2014 HydrophobicContact CB-CD1 4.02Å; L1906-L2014 HydrophobicContact CD1-CD2 4.39Å; T1907-L2014 HydrophobicContact CG2-CD1 3.72Å; I1935-L2014 HydrophobicContact CG2-CD1 3.94Å; I1935-L2014 HydrophobicContact CG2-CG 4.07Å; G1936-L2014 PolarHBondContact O-N 3.06Å; Y1937-L2014 CarbonylContact C-O 3.56Å; Y1937-L2014 WeakPolarHBondContact CA-O 3.43Å; Y1937-L2014 HydrophobicContact CD2-CB 3.78Å; Y1937-L2014 WeakPolarHBondContact CD2-O 3.43Å; C1938-L2014 PolarHBondContact N-O 3.11Å; I2012-L2014 HydrophobicContact CG2-CD2 3.94Å; I2012-L2014 HydrophobicContact CG2-CG 4.34Å; L2014-L2045 HydrophobicContact CD2-CB 3.73Å; L2014-L2045 HydrophobicContact CD2-CD2 4.13Å |
| 2015 | L | 91.5 | Very high | 83 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 94.6 | -174.4 | -62.2 | -178.1 | 0 | 0 | 0 | 110.5 | Y1903 C1938 A2005 I2013 E2017 P2018 I2034 I2044 L2045 L2046 S2047 | Y1903-L2015 PolarHBondContact OH-O 3.12Å; C1938-L2015 HydrophobicContact CB-CD2 3.64Å; A2005-L2015 HydrophobicContact CB-CD2 4.21Å; I2013-L2015 HydrophobicContact CG2-CD1 4.42Å; I2013-L2015 HydrophobicContact CG2-CD2 3.65Å; I2013-L2015 HydrophobicContact CG2-CG 3.83Å; L2015-E2017 PolarHBondContact O-N 3.18Å; L2015-P2018 HydrophobicContact CB-CB 4.23Å; L2015-P2018 HydrophobicContact CB-CG 3.97Å; L2015-P2018 HydrophobicContact CD1-CG 4.31Å; L2015-I2034 HydrophobicContact CD1-CD1 3.84Å; L2015-I2034 HydrophobicContact CD1-CG1 4.13Å; L2015-I2044 HydrophobicContact CD1-CG2 3.88Å; L2015-I2044 HydrophobicContact CG-CG2 4.31Å; L2015-L2045 PolarHBondContact N-O 2.73Å; L2015-L2046 HydrophobicContact CB-CD1 3.84Å; L2015-L2046 HydrophobicContact CD1-CD1 4.35Å; L2015-S2047 PolarHBondContact O-N 3.4Å; L2015-S2047 PolarHBondContact O-OG 3.24Å |
| 2016 | D | 88.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 92.2 | 178.1 | -158.8 | 19.9 | 0 | 0 | 0 | 110.1 | S1900 Y1903 Y1937 C1938 Q1940 R1998 S2047 | S1900-D2016 WeakPolarHBondContact CB-OD2 3.43Å; S1900-D2016 PolarHBondContact OG-OD2 2.73Å; Y1903-D2016 HydrophobicContact CD2-CB 3.85Å; Y1903-D2016 VanDerWaalsContact CD2-CG 3.43Å; Y1903-D2016 WeakPolarHBondContact CD2-OD1 3.39Å; Y1903-D2016 HydrophobicContact CE2-CB 3.86Å; Y1903-D2016 VanDerWaalsContact CE2-OD1 3.23Å; Y1903-D2016 WeakPolarHBondContact CE2-OD1 3.49Å; Y1903-D2016 HydrophobicContact CG-CB 4.22Å; Y1937-D2016 HydrophobicContact CE2-CB 4.4Å; C1938-D2016 PolarHBondContact O-N 3.12Å; Q1940-D2016 WeakPolarHBondContact CA-O 3.27Å; R1998-D2016 PolarHBondContact NH2-O 3.09Å; D2016-S2047 VanDerWaalsContact CA-OG 3.27Å; D2016-S2047 WeakPolarHBondContact CA-OG 3.34Å; D2016-S2047 PolarHBondContact OD1-OG 3.17Å |
| 2017 | E | 84.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 15.8 Ų | 15.8 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 58.5 | 62.5 | -179.2 | -59.9 | 168.2 | -159.9 | 0 | 0 | 114.9 | K1899 Q1940 R1998 L2015 S2019 N2020 S2047 H2049 | K1899-E2017 IonicContact NZ-OE1 3.56Å; K1899-E2017 PolarHBondContact NZ-OE1 3.45Å; Q1940-E2017 VanDerWaalsContact NE2-CD 3.27Å; Q1940-E2017 PolarHBondContact NE2-OE1 3.38Å; Q1940-E2017 PolarHBondContact NE2-OE2 3.47Å; R1998-E2017 PolarHBondContact NE-O 3.1Å; R1998-E2017 PolarHBondContact NH2-O 2.99Å; L2015-E2017 PolarHBondContact O-N 3.18Å; E2017-S2019 PolarHBondContact O-N 3.39Å; E2017-N2020 WeakPolarHBondContact CB-ND2 3.37Å; E2017-N2020 PolarHBondContact OE2-ND2 3.16Å; E2017-S2047 WeakPolarHBondContact CA-O 3.43Å; E2017-S2047 PolarHBondContact N-O 3.39Å; E2017-S2047 PolarHBondContact N-OG 2.86Å; E2017-H2049 VanDerWaalsContact CD-CD2 3.48Å; E2017-H2049 IonicContact OE1-CD2 2.74Å; E2017-H2049 PolarHBondContact OE1-CD2 3.42Å; E2017-H2049 IonicContact OE1-NE2 3.47Å; E2017-H2049 PolarHBondContact OE1-NE2 2.97Å; E2017-H2049 IonicContact OE2-CD2 2.72Å |
| 2018 | P | 86.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.2 | -170.6 | 32.3 | -38.9 | 0 | 0 | 0 | 114.6 | R1998 T2002 L2015 L2030 L2046 S2047 | R1998-P2018 WeakPolarHBondContact CG-O 3.48Å; T2002-P2018 HydrophobicContact CG2-CB 3.59Å; L2015-P2018 HydrophobicContact CB-CB 4.23Å; L2015-P2018 HydrophobicContact CB-CG 3.97Å; L2015-P2018 HydrophobicContact CD1-CG 4.31Å; P2018-L2030 HydrophobicContact CB-CD1 4.31Å; P2018-L2030 HydrophobicContact CB-CD2 3.83Å; P2018-L2030 HydrophobicContact CG-CD2 3.86Å; P2018-L2046 VanDerWaalsContact CD-CD1 3.47Å; P2018-L2046 HydrophobicContact CG-CD1 3.42Å; P2018-L2046 VanDerWaalsContact CG-CD1 3.42Å; P2018-S2047 WeakPolarHBondContact CD-O 3.28Å |
| 2019 | S | 84.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8.6 | -177.3 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | E2017 G2021 M2022 Y2050 E2053 | E2017-S2019 PolarHBondContact O-N 3.39Å; S2019-G2021 PolarHBondContact O-N 3.29Å; S2019-M2022 WeakPolarHBondContact O-CB 3.11Å; S2019-M2022 WeakPolarHBondContact O-CG 3.15Å; S2019-M2022 PolarHBondContact O-N 3.06Å; S2019-M2022 VanDerWaalsContact O-N 3.12Å; S2019-Y2050 WeakPolarHBondContact OG-CD2 3.45Å; S2019-E2053 VanDerWaalsContact CB-OE1 3.3Å; S2019-E2053 WeakPolarHBondContact CB-OE1 3.42Å; S2019-E2053 WeakPolarHBondContact CB-OE2 3.21Å; S2019-E2053 PolarHBondContact OG-OE1 2.95Å; S2019-E2053 PolarHBondContact OG-OE2 3.3Å |
| 2020 | N | 76.1 | Confident | 82.8 | Confident | 34 Ų | 34 | 16.5 Ų | 16.5 | 18% | 0.182 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 123.6 | -176.7 | -83.8 | -12.2 | 0 | 0 | 0 | 112.5 | R1998 E2017 M2022 | R1998-N2020 WeakPolarHBondContact CD-O 3.44Å; R1998-N2020 VanDerWaalsContact CG-O 3.31Å; R1998-N2020 WeakPolarHBondContact CG-O 3.43Å; E2017-N2020 WeakPolarHBondContact CB-ND2 3.37Å; E2017-N2020 PolarHBondContact OE2-ND2 3.16Å; N2020-M2022 PolarHBondContact O-N 2.89Å |
| 2021 | G | 70.5 | Confident | 83 | Confident | 44 Ų | 44 | 17.1 Ų | 17.1 | 45% | 0.454 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 1.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1995 S2019 | G1995-G2021 WeakPolarHBondContact CA-O 3.47Å; G1995-G2021 PolarHBondContact N-O 3.41Å; S2019-G2021 PolarHBondContact O-N 3.29Å |
| 2022 | M | 78.5 | Confident | 83.1 | Confident | 9 Ų | 9 | 19.6 Ų | 19.6 | 4% | 0.044 | 11% | 0.109 | C | C | . | . | trans | -73.4 | 146.6 | 171.6 | -60.8 | -178.8 | 113.9 | 0 | 0 | 111.2 | R1998 K1999 S2019 N2020 G2026 K2027 L2030 | R1998-M2022 HydrophobicContact CB-CG 4.31Å; R1998-M2022 HydrophobicContact CG-CG 4.39Å; K1999-M2022 HydrophobicContact CB-CE 4.28Å; K1999-M2022 HydrophobicContact CD-CE 4.31Å; K1999-M2022 HydrophobicContact CG-CE 3.27Å; S2019-M2022 WeakPolarHBondContact O-CB 3.11Å; S2019-M2022 WeakPolarHBondContact O-CG 3.15Å; S2019-M2022 PolarHBondContact O-N 3.06Å; S2019-M2022 VanDerWaalsContact O-N 3.12Å; N2020-M2022 PolarHBondContact O-N 2.89Å; M2022-G2026 WeakPolarHBondContact CE-O 3.45Å; M2022-K2027 HydrophobicContact CB-CG 4.27Å; M2022-L2030 HydrophobicContact CE-CB 4.05Å; M2022-L2030 HydrophobicContact CE-CD1 4.1Å; M2022-L2030 HydrophobicContact SD-CB 4.11Å; M2022-L2030 HydrophobicContact SD-CD1 4.39Å; M2022-L2030 HydrophobicContact SD-CD2 4.14Å; M2022-L2030 HydrophobicContact SD-CG 4.44Å | ||
| 2023 | D | 74.7 | Confident | 82.9 | Confident | 26 Ų | 26 | 20.1 Ų | 20.1 | 14% | 0.139 | 11% | 0.112 | C | C | . | . | trans | -69.1 | 161.5 | 162.7 | 47 | -14.5 | 0 | 0 | 0 | 111.3 | N920 K1999 Q2025 G2026 K2027 | N920-D2023 HydrophobicContact CB-CB 4.24Å; K1999-D2023 IonicContact NZ-OD1 3.93Å; K1999-D2023 PolarHBondContact NZ-OD1 2.93Å; K1999-D2023 IonicContact NZ-OD2 3.51Å; D2023-Q2025 VanDerWaalsContact C-N 3.27Å; D2023-Q2025 PolarHBondContact O-N 3.33Å; D2023-G2026 CarbonylContact O-C 3.48Å; D2023-G2026 VanDerWaalsContact O-CA 3.24Å; D2023-G2026 WeakPolarHBondContact O-CA 3.39Å; D2023-G2026 PolarHBondContact O-N 3.17Å; D2023-G2026 WeakPolarHBondContact OD1-CA 3.4Å; D2023-G2026 PolarHBondContact OD1-N 3.06Å; D2023-K2027 PolarHBondContact O-N 2.84Å | ||
| 2024 | I | 78.2 | Confident | 82.8 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.9 | -44.3 | -179.1 | -60.1 | 85.6 | 0 | 0 | 0 | 111 | M1075 F1201 L1202 G2026 K2027 Q2028 | M1075-I2024 HydrophobicContact CE-CD1 3.59Å; M1075-I2024 HydrophobicContact CE-CG1 3.8Å; F1201-I2024 HydrophobicContact CE1-CD1 4.37Å; L1202-I2024 HydrophobicContact CD1-CG2 4.24Å; L1202-I2024 HydrophobicContact CD2-CG2 4.29Å; L1202-I2024 HydrophobicContact CG-CG2 4.41Å; I2024-G2026 VanDerWaalsContact C-N 3.31Å; I2024-G2026 PolarHBondContact O-N 3.09Å; I2024-K2027 WeakPolarHBondContact O-CB 3.21Å; I2024-K2027 PolarHBondContact O-N 2.97Å; I2024-Q2028 PolarHBondContact O-N 3.32Å |
| 2025 | Q | 75.1 | Confident | 82.4 | Confident | 49 Ų | 49 | 24.2 Ų | 24.2 | 23% | 0.229 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -33.4 | 174.2 | -68.3 | 177.1 | -25.6 | 0 | 0 | 112.9 | L1202 D2023 L2029 | L1202-Q2025 HydrophobicContact CD2-CG 4.36Å; D2023-Q2025 VanDerWaalsContact C-N 3.27Å; D2023-Q2025 PolarHBondContact O-N 3.33Å; Q2025-L2029 WeakPolarHBondContact O-CB 3.42Å; Q2025-L2029 PolarHBondContact O-N 2.74Å |
| 2026 | G | 78.4 | Confident | 82 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.8 | -38.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1999 M2022 D2023 I2024 L2030 | K1999-G2026 VanDerWaalsContact CE-CA 3.47Å; M2022-G2026 WeakPolarHBondContact CE-O 3.45Å; D2023-G2026 CarbonylContact O-C 3.48Å; D2023-G2026 VanDerWaalsContact O-CA 3.24Å; D2023-G2026 WeakPolarHBondContact O-CA 3.39Å; D2023-G2026 PolarHBondContact O-N 3.17Å; D2023-G2026 WeakPolarHBondContact OD1-CA 3.4Å; D2023-G2026 PolarHBondContact OD1-N 3.06Å; I2024-G2026 VanDerWaalsContact C-N 3.31Å; I2024-G2026 PolarHBondContact O-N 3.09Å; G2026-L2030 WeakPolarHBondContact O-CB 3.3Å; G2026-L2030 PolarHBondContact O-N 3.46Å |
| 2027 | K | 82 | Confident | 81.8 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 2% | 0.022 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -50.8 | 170.8 | -62.2 | -176.5 | -173.7 | 171.9 | 0 | 110.7 | E1198 M2022 D2023 I2024 L2029 L2030 W2031 | E1198-K2027 IonicContact OE1-NZ 2.69Å; M2022-K2027 HydrophobicContact CB-CG 4.27Å; D2023-K2027 PolarHBondContact O-N 2.84Å; I2024-K2027 WeakPolarHBondContact O-CB 3.21Å; I2024-K2027 PolarHBondContact O-N 2.97Å; K2027-L2029 VanDerWaalsContact C-N 3.31Å; K2027-L2029 PolarHBondContact O-N 3.21Å; K2027-L2030 CarbonylContact O-C 3.58Å; K2027-L2030 WeakPolarHBondContact O-CA 2.96Å; K2027-L2030 VanDerWaalsContact O-CB 3.3Å; K2027-L2030 WeakPolarHBondContact O-CB 3.18Å; K2027-L2030 PolarHBondContact O-N 3.36Å; K2027-W2031 HydrophobicContact CB-CD2 4.37Å; K2027-W2031 HydrophobicContact CB-CH2 4.39Å; K2027-W2031 HydrophobicContact CB-CZ2 3.95Å; K2027-W2031 HydrophobicContact CD-CH2 4.26Å; K2027-W2031 HydrophobicContact CD-CZ2 3.91Å; K2027-W2031 HydrophobicContact CG-CZ2 4.5Å; K2027-W2031 WeakPolarHBondContact O-CB 3.46Å; K2027-W2031 VanDerWaalsContact O-CD1 3.24Å; K2027-W2031 PolarHBondContact O-N 2.75Å |
| 2028 | Q | 79.6 | Confident | 81.7 | Confident | 67 Ų | 67 | 31.1 Ų | 31.1 | 31% | 0.313 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 180 | -72.9 | -173.1 | -43.1 | 0 | 0 | 112.5 | I2024 W2031 N2032 | I2024-Q2028 PolarHBondContact O-N 3.32Å; Q2028-W2031 HydrophobicContact CG-CE3 4.3Å; Q2028-W2031 HydrophobicContact CG-CZ3 4.45Å; Q2028-W2031 PolarHBondContact O-N 3.38Å; Q2028-N2032 WeakPolarHBondContact O-CB 3.28Å; Q2028-N2032 VanDerWaalsContact O-CG 3.25Å; Q2028-N2032 PolarHBondContact O-N 3.49Å |
| 2029 | L | 83.9 | Confident | 81.5 | Confident | 49 Ų | 49 | 40 Ų | 40 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 172.5 | 179.1 | 150 | 0 | 0 | 0 | 111.5 | F1978 I1979 Q2025 K2027 W2031 N2032 N2033 | F1978-L2029 WeakPolarHBondContact O-CD2 3.45Å; I1979-L2029 WeakPolarHBondContact O-CD2 3.48Å; Q2025-L2029 WeakPolarHBondContact O-CB 3.42Å; Q2025-L2029 PolarHBondContact O-N 2.74Å; K2027-L2029 VanDerWaalsContact C-N 3.31Å; K2027-L2029 PolarHBondContact O-N 3.21Å; L2029-W2031 PolarHBondContact O-N 3.42Å; L2029-N2032 PolarHBondContact O-N 2.9Å; L2029-N2033 WeakPolarHBondContact CD2-ND2 3.2Å; L2029-N2033 WeakPolarHBondContact O-CB 3.47Å; L2029-N2033 PolarHBondContact O-N 3.24Å; L2029-N2033 PolarHBondContact O-OD1 3Å |
| 2030 | L | 86.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 174.1 | -173.1 | 87.3 | 0 | 0 | 0 | 111.9 | T2002 P2018 M2022 G2026 K2027 N2033 I2034 E2053 | T2002-L2030 HydrophobicContact CG2-CD1 3.69Å; P2018-L2030 HydrophobicContact CB-CD1 4.31Å; P2018-L2030 HydrophobicContact CB-CD2 3.83Å; P2018-L2030 HydrophobicContact CG-CD2 3.86Å; M2022-L2030 HydrophobicContact CE-CB 4.05Å; M2022-L2030 HydrophobicContact CE-CD1 4.1Å; M2022-L2030 HydrophobicContact SD-CB 4.11Å; M2022-L2030 HydrophobicContact SD-CD1 4.39Å; M2022-L2030 HydrophobicContact SD-CD2 4.14Å; M2022-L2030 HydrophobicContact SD-CG 4.44Å; G2026-L2030 WeakPolarHBondContact O-CB 3.3Å; G2026-L2030 PolarHBondContact O-N 3.46Å; K2027-L2030 CarbonylContact O-C 3.58Å; K2027-L2030 WeakPolarHBondContact O-CA 2.96Å; K2027-L2030 VanDerWaalsContact O-CB 3.3Å; K2027-L2030 WeakPolarHBondContact O-CB 3.18Å; K2027-L2030 PolarHBondContact O-N 3.36Å; L2030-N2033 WeakPolarHBondContact O-CB 3.42Å; L2030-N2033 PolarHBondContact O-N 3.08Å; L2030-I2034 HydrophobicContact CD2-CD1 4.07Å; L2030-I2034 HydrophobicContact CG-CD1 3.95Å; L2030-I2034 WeakPolarHBondContact O-CG1 3.28Å; L2030-I2034 PolarHBondContact O-N 3.03Å; L2030-E2053 WeakPolarHBondContact CD2-OE1 3.16Å |
| 2031 | W | 87.6 | Confident | 81.5 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | -178.5 | -62.4 | -11.2 | 0 | 0 | 0 | 111.7 | K2027 Q2028 L2029 I2034 K2035 E2053 L2056 L2057 | K2027-W2031 HydrophobicContact CB-CD2 4.37Å; K2027-W2031 HydrophobicContact CB-CH2 4.39Å; K2027-W2031 HydrophobicContact CB-CZ2 3.95Å; K2027-W2031 HydrophobicContact CD-CH2 4.26Å; K2027-W2031 HydrophobicContact CD-CZ2 3.91Å; K2027-W2031 HydrophobicContact CG-CZ2 4.5Å; K2027-W2031 WeakPolarHBondContact O-CB 3.46Å; K2027-W2031 VanDerWaalsContact O-CD1 3.24Å; K2027-W2031 PolarHBondContact O-N 2.75Å; Q2028-W2031 HydrophobicContact CG-CE3 4.3Å; Q2028-W2031 HydrophobicContact CG-CZ3 4.45Å; Q2028-W2031 PolarHBondContact O-N 3.38Å; L2029-W2031 PolarHBondContact O-N 3.42Å; W2031-I2034 PolarHBondContact O-N 2.82Å; W2031-K2035 WeakPolarHBondContact O-CB 3.45Å; W2031-K2035 VanDerWaalsContact O-CG 3.29Å; W2031-K2035 WeakPolarHBondContact O-CG 3.47Å; W2031-K2035 PolarHBondContact O-N 3.22Å; W2031-E2053 HydrophobicContact CZ2-CB 4.1Å; W2031-E2053 PolarHBondContact NE1-OE1 3.08Å; W2031-L2056 HydrophobicContact CE3-CD1 3.96Å; W2031-L2056 HydrophobicContact CH2-CD1 3.81Å; W2031-L2056 HydrophobicContact CZ2-CD1 4.49Å; W2031-L2056 HydrophobicContact CZ3-CD1 3.51Å; W2031-L2057 HydrophobicContact CB-CD2 4.08Å; W2031-L2057 HydrophobicContact CG-CD1 4.28Å; W2031-L2057 HydrophobicContact CG-CD2 4.44Å |
| 2032 | N | 85.2 | Confident | 82.1 | Confident | 90 Ų | 90 | 47.9 Ų | 47.9 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 173.1 | -70.3 | -10.8 | 0 | 0 | 0 | 111.3 | Q2028 L2029 I2034 K2035 Q2036 | Q2028-N2032 WeakPolarHBondContact O-CB 3.28Å; Q2028-N2032 VanDerWaalsContact O-CG 3.25Å; Q2028-N2032 PolarHBondContact O-N 3.49Å; L2029-N2032 PolarHBondContact O-N 2.9Å; N2032-I2034 PolarHBondContact O-N 3.13Å; N2032-K2035 PolarHBondContact O-N 3.28Å; N2032-Q2036 WeakPolarHBondContact O-CG 3.36Å; N2032-Q2036 PolarHBondContact O-N 2.75Å |
| 2033 | N | 85.9 | Confident | 82.7 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.9 | -70 | -0.6 | 0 | 0 | 0 | 112.5 | F1978 L2029 L2030 Q2036 A2037 | F1978-N2033 HydrophobicContact CE1-CB 3.76Å; F1978-N2033 HydrophobicContact CE2-CB 3.87Å; F1978-N2033 WeakPolarHBondContact CE2-OD1 3.38Å; F1978-N2033 HydrophobicContact CZ-CB 3.38Å; F1978-N2033 VanDerWaalsContact CZ-CG 3.45Å; F1978-N2033 PolarHBondContact O-ND2 2.83Å; L2029-N2033 WeakPolarHBondContact CD2-ND2 3.2Å; L2029-N2033 WeakPolarHBondContact O-CB 3.47Å; L2029-N2033 PolarHBondContact O-N 3.24Å; L2029-N2033 PolarHBondContact O-OD1 3Å; L2030-N2033 WeakPolarHBondContact O-CB 3.42Å; L2030-N2033 PolarHBondContact O-N 3.08Å; N2033-Q2036 PolarHBondContact O-N 3.32Å; N2033-A2037 PolarHBondContact O-N 2.77Å |
| 2034 | I | 87.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -44.9 | 173.7 | -71.9 | 168.5 | 0 | 0 | 0 | 110.6 | F2006 L2015 L2030 W2031 N2032 Q2036 A2037 M2038 I2044 L2057 | F2006-I2034 HydrophobicContact CZ-CG1 3.93Å; L2015-I2034 HydrophobicContact CD1-CD1 3.84Å; L2015-I2034 HydrophobicContact CD1-CG1 4.13Å; L2030-I2034 HydrophobicContact CD2-CD1 4.07Å; L2030-I2034 HydrophobicContact CG-CD1 3.95Å; L2030-I2034 WeakPolarHBondContact O-CG1 3.28Å; L2030-I2034 PolarHBondContact O-N 3.03Å; W2031-I2034 PolarHBondContact O-N 2.82Å; N2032-I2034 PolarHBondContact O-N 3.13Å; I2034-Q2036 VanDerWaalsContact C-N 3.33Å; I2034-Q2036 PolarHBondContact O-N 3.46Å; I2034-A2037 PolarHBondContact O-N 3.43Å; I2034-A2037 VanDerWaalsContact O-N 3.12Å; I2034-M2038 HydrophobicContact CG2-CE 4.31Å; I2034-M2038 WeakPolarHBondContact O-CG 3.5Å; I2034-M2038 PolarHBondContact O-N 3.44Å; I2034-I2044 HydrophobicContact CG2-CD1 3.77Å; I2034-L2057 HydrophobicContact CB-CD1 4.36Å; I2034-L2057 HydrophobicContact CB-CD2 4.31Å; I2034-L2057 HydrophobicContact CD1-CD1 3.72Å; I2034-L2057 HydrophobicContact CG2-CD1 4.06Å; I2034-L2057 HydrophobicContact CG2-CD2 3.98Å; I2034-L2057 HydrophobicContact CG2-CG 4.44Å |
| 2035 | K | 85.2 | Confident | 84.2 | Confident | 88 Ų | 88 | 46.1 Ų | 46.1 | 38% | 0.383 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 175.5 | -72.5 | 172.6 | -177.1 | -177.4 | 0 | 112.5 | W2031 N2032 M2038 K2039 L2056 L2057 | W2031-K2035 WeakPolarHBondContact O-CB 3.45Å; W2031-K2035 VanDerWaalsContact O-CG 3.29Å; W2031-K2035 WeakPolarHBondContact O-CG 3.47Å; W2031-K2035 PolarHBondContact O-N 3.22Å; N2032-K2035 PolarHBondContact O-N 3.28Å; K2035-M2038 HydrophobicContact CB-CE 4.39Å; K2035-M2038 HydrophobicContact CG-CE 3.87Å; K2035-M2038 PolarHBondContact O-N 3.09Å; K2035-K2039 WeakPolarHBondContact O-CG 3.42Å; K2035-K2039 PolarHBondContact O-N 3.25Å; K2035-K2039 VanDerWaalsContact O-N 3.17Å; K2035-L2056 WeakPolarHBondContact CE-O 3.23Å; K2035-L2057 HydrophobicContact CD-CD2 4.43Å; K2035-L2057 HydrophobicContact CG-CD2 4.03Å |
| 2036 | Q | 83.5 | Confident | 85 | Confident | 106 Ų | 106 | 43.8 Ų | 43.8 | 50% | 0.495 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.5 | -36.7 | 172.4 | -73.5 | 180 | -0.4 | 0 | 0 | 112.4 | N2032 N2033 I2034 K2039 L2040 | N2032-Q2036 WeakPolarHBondContact O-CG 3.36Å; N2032-Q2036 PolarHBondContact O-N 2.75Å; N2033-Q2036 PolarHBondContact O-N 3.32Å; I2034-Q2036 VanDerWaalsContact C-N 3.33Å; I2034-Q2036 PolarHBondContact O-N 3.46Å; Q2036-K2039 PolarHBondContact O-N 3.46Å; Q2036-L2040 WeakPolarHBondContact O-CG 3.43Å |
| 2037 | A | 84.4 | Confident | 85.5 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 5% | 0.05 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.6 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | F2006 I2013 N2033 I2034 K2039 L2040 C2042 I2044 | F2006-A2037 HydrophobicContact CD1-CB 4.3Å; F2006-A2037 HydrophobicContact CE1-CB 3.72Å; I2013-A2037 HydrophobicContact CD1-CB 4.37Å; N2033-A2037 PolarHBondContact O-N 2.77Å; I2034-A2037 PolarHBondContact O-N 3.43Å; I2034-A2037 VanDerWaalsContact O-N 3.12Å; A2037-K2039 VanDerWaalsContact C-N 3.34Å; A2037-K2039 PolarHBondContact O-N 3.27Å; A2037-L2040 WeakPolarHBondContact O-CB 3.35Å; A2037-L2040 PolarHBondContact O-N 2.75Å; A2037-C2042 HydrophobicContact CB-CB 4.41Å; A2037-C2042 WeakPolarHBondContact O-CB 3.48Å; A2037-C2042 PolarHBondContact O-N 2.73Å; A2037-I2044 HydrophobicContact CB-CD1 4.2Å |
| 2038 | M | 82.9 | Confident | 85.7 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 173.2 | -69.4 | -170.6 | -69 | 0 | 0 | 111.9 | C1888 I2034 K2035 L2040 N2041 I2044 | C1888-M2038 HydrophobicContact CB-CG 4.3Å; C1888-M2038 HydrophobicContact CB-SD 3.4Å; C1888-M2038 WeakPolarHBondContact CB-SD 3.49Å; I2034-M2038 HydrophobicContact CG2-CE 4.31Å; I2034-M2038 WeakPolarHBondContact O-CG 3.5Å; I2034-M2038 PolarHBondContact O-N 3.44Å; K2035-M2038 HydrophobicContact CB-CE 4.39Å; K2035-M2038 HydrophobicContact CG-CE 3.87Å; K2035-M2038 PolarHBondContact O-N 3.09Å; M2038-L2040 PolarHBondContact O-N 3.17Å; M2038-N2041 PolarHBondContact O-N 2.83Å; M2038-I2044 HydrophobicContact CG-CD1 3.92Å |
| 2039 | K | 80.9 | Confident | 85.5 | Confident | 186 Ų | 186 | 40.6 Ų | 40.6 | 81% | 0.809 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15 | 172.5 | -74 | -174 | 175.8 | -167.4 | 0 | 114.2 | K2035 Q2036 A2037 | K2035-K2039 WeakPolarHBondContact O-CG 3.42Å; K2035-K2039 PolarHBondContact O-N 3.25Å; K2035-K2039 VanDerWaalsContact O-N 3.17Å; Q2036-K2039 PolarHBondContact O-N 3.46Å; A2037-K2039 VanDerWaalsContact C-N 3.34Å; A2037-K2039 PolarHBondContact O-N 3.27Å |
| 2040 | L | 77.9 | Confident | 85.2 | Confident | 103 Ų | 103 | 39.2 Ų | 39.2 | 54% | 0.539 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 15.6 | 176.3 | -62.6 | 173 | 0 | 0 | 0 | 113.1 | Q2036 A2037 M2038 C2042 | Q2036-L2040 WeakPolarHBondContact O-CG 3.43Å; A2037-L2040 WeakPolarHBondContact O-CB 3.35Å; A2037-L2040 PolarHBondContact O-N 2.75Å; M2038-L2040 PolarHBondContact O-N 3.17Å; L2040-C2042 PolarHBondContact O-N 3.47Å |
| 2041 | N | 81.9 | Confident | 84.9 | Confident | 129 Ų | 129 | 39.5 Ų | 39.5 | 69% | 0.69 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 21.7 | -176.3 | -69.8 | -31.6 | 0 | 0 | 0 | 115.1 | M2038 | M2038-N2041 PolarHBondContact O-N 2.83Š|
| 2042 | C | 84.7 | Confident | 84.4 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 9% | 0.088 | 20% | 0.202 | C | C | . | . | trans | -70.2 | 130.7 | 168.4 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | P2010 I2013 A2037 L2040 | P2010-C2042 PolarHBondContact O-SG 2.68Å; I2013-C2042 HydrophobicContact CD1-CB 4.21Å; I2013-C2042 HydrophobicContact CG1-CB 4.48Å; A2037-C2042 HydrophobicContact CB-CB 4.41Å; A2037-C2042 WeakPolarHBondContact O-CB 3.48Å; A2037-C2042 PolarHBondContact O-N 2.73Å; L2040-C2042 PolarHBondContact O-N 3.47Å | ||
| 2043 | T | 90.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 147.3 | 167.3 | 58.2 | 0 | 0 | 0 | 0 | 111 | A1858 Q1884 E1887 S2011 I2012 I2013 | A1858-T2043 HydrophobicContact CB-CG2 3.58Å; Q1884-T2043 WeakPolarHBondContact O-CG2 3.39Å; E1887-T2043 WeakPolarHBondContact O-CA 3.43Å; S2011-T2043 PolarHBondContact O-N 3.21Å; S2011-T2043 PolarHBondContact O-OG1 2.99Å; I2012-T2043 CarbonylContact C-O 3.53Å; I2012-T2043 WeakPolarHBondContact CA-OG1 3.24Å; I2012-T2043 WeakPolarHBondContact CG1-OG1 3.37Å; I2013-T2043 PolarHBondContact N-O 3.3Å |
| 2044 | I | 91.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 116.6 | -175.5 | -52.8 | -178.3 | 0 | 0 | 0 | 108.9 | E1887 C1888 Y1889 I2013 L2015 I2034 A2037 M2038 L2046 | E1887-I2044 PolarHBondContact O-N 2.87Å; C1888-I2044 CarbonylContact C-O 3.58Å; C1888-I2044 VanDerWaalsContact CA-O 3.31Å; C1888-I2044 WeakPolarHBondContact CA-O 3.1Å; C1888-I2044 HydrophobicContact CB-CB 4.17Å; Y1889-I2044 PolarHBondContact N-O 2.88Å; I2013-I2044 HydrophobicContact CB-CG1 4.29Å; I2013-I2044 CarbonylContact O-C 3.56Å; I2013-I2044 WeakPolarHBondContact O-CA 3.43Å; L2015-I2044 HydrophobicContact CD1-CG2 3.88Å; L2015-I2044 HydrophobicContact CG-CG2 4.31Å; I2034-I2044 HydrophobicContact CG2-CD1 3.77Å; A2037-I2044 HydrophobicContact CB-CD1 4.2Å; M2038-I2044 HydrophobicContact CG-CD1 3.92Å; I2044-L2046 HydrophobicContact CG2-CB 4.41Å |
| 2045 | L | 92.9 | Very high | 84 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.6 | 162.9 | -177.4 | 64.6 | 0 | 0 | 0 | 107.8 | I1883 Y1889 L1891 Y1903 L1906 I2013 L2014 L2015 | I1883-L2045 HydrophobicContact CD1-CD1 3.94Å; Y1889-L2045 HydrophobicContact CD1-CD1 3.77Å; Y1889-L2045 HydrophobicContact CG-CD1 4.43Å; L1891-L2045 HydrophobicContact CB-CD1 4.17Å; Y1903-L2045 HydrophobicContact CD1-CD2 4.4Å; Y1903-L2045 HydrophobicContact CE1-CB 4.43Å; Y1903-L2045 HydrophobicContact CE1-CD2 3.8Å; Y1903-L2045 HydrophobicContact CE1-CG 4Å; Y1903-L2045 PolarHBondContact OH-O 3.27Å; L1906-L2045 HydrophobicContact CD1-CD2 3.27Å; I2013-L2045 PolarHBondContact O-N 3.46Å; L2014-L2045 HydrophobicContact CD2-CB 3.73Å; L2014-L2045 HydrophobicContact CD2-CD2 4.13Å; L2015-L2045 PolarHBondContact N-O 2.73Å |
| 2046 | L | 91.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.8 | -174.6 | 176.1 | 60.7 | 0 | 0 | 0 | 109.9 | Y1889 G1890 L1891 Y1903 L2015 P2018 I2044 E2053 L2057 | Y1889-L2046 PolarHBondContact O-N 2.86Å; G1890-L2046 CarbonylContact C-O 3.4Å; G1890-L2046 VanDerWaalsContact CA-O 3.32Å; G1890-L2046 WeakPolarHBondContact CA-O 3.33Å; L1891-L2046 PolarHBondContact N-O 3.39Å; Y1903-L2046 VanDerWaalsContact OH-C 3.29Å; L2015-L2046 HydrophobicContact CB-CD1 3.84Å; L2015-L2046 HydrophobicContact CD1-CD1 4.35Å; P2018-L2046 VanDerWaalsContact CD-CD1 3.47Å; P2018-L2046 HydrophobicContact CG-CD1 3.42Å; P2018-L2046 VanDerWaalsContact CG-CD1 3.42Å; I2044-L2046 HydrophobicContact CG2-CB 4.41Å; L2046-E2053 HydrophobicContact CD2-CG 4.19Å; L2046-L2057 HydrophobicContact CD2-CB 4.36Å; L2046-L2057 HydrophobicContact CD2-CD1 3.95Å |
| 2047 | S | 89.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 142.9 | 161.9 | 57.7 | 0 | 0 | 0 | 0 | 108.6 | L1891 Y1903 L2015 D2016 E2017 P2018 | L1891-S2047 WeakPolarHBondContact O-CA 3.24Å; L1891-S2047 WeakPolarHBondContact O-CB 3.44Å; Y1903-S2047 VanDerWaalsContact CE2-OG 3.32Å; Y1903-S2047 WeakPolarHBondContact CE2-OG 3.46Å; Y1903-S2047 PolarHBondContact OH-N 2.62Å; Y1903-S2047 PolarHBondContact OH-OG 2.99Å; L2015-S2047 PolarHBondContact O-N 3.4Å; L2015-S2047 PolarHBondContact O-OG 3.24Å; D2016-S2047 VanDerWaalsContact CA-OG 3.27Å; D2016-S2047 WeakPolarHBondContact CA-OG 3.34Å; D2016-S2047 PolarHBondContact OD1-OG 3.17Å; E2017-S2047 WeakPolarHBondContact CA-O 3.43Å; E2017-S2047 PolarHBondContact N-O 3.39Å; E2017-S2047 PolarHBondContact N-OG 2.86Å; P2018-S2047 WeakPolarHBondContact CD-O 3.28Å |
| 2048 | S | 84.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | trans | -147.6 | 161.9 | 174.8 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | Y2050 E2053 | S2048-Y2050 PolarHBondContact OG-N 2.75Å; S2048-E2053 VanDerWaalsContact CB-OE2 3.27Å; S2048-E2053 WeakPolarHBondContact CB-OE2 3.29Å; S2048-E2053 PolarHBondContact OG-OE2 3.2Å | ||
| 2049 | H | 75.7 | Confident | 84.1 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -107.4 | 3 | 164.9 | -76.2 | -58.9 | 0 | 0 | 0 | 112.7 | D1048 R1052 N1895 K1899 E2017 | D1048-H2049 VanDerWaalsContact CB-CE1 3.41Å; D1048-H2049 WeakPolarHBondContact CB-CE1 3.5Å; R1052-H2049 PolarHBondContact NH2-O 3.41Å; R1052-H2049 VanDerWaalsContact NH2-O 3.16Å; N1895-H2049 PolarHBondContact OD1-CE1 2.88Å; N1895-H2049 PolarHBondContact OD1-NE2 3.29Å; K1899-H2049 PolarHBondContact NZ-CE1 3.4Å; K1899-H2049 PolarHBondContact NZ-NE2 3.44Å; E2017-H2049 VanDerWaalsContact CD-CD2 3.48Å; E2017-H2049 IonicContact OE1-CD2 2.74Å; E2017-H2049 PolarHBondContact OE1-CD2 3.42Å; E2017-H2049 IonicContact OE1-NE2 3.47Å; E2017-H2049 PolarHBondContact OE1-NE2 2.97Å; E2017-H2049 IonicContact OE2-CD2 2.72Å |
| 2050 | Y | 78.3 | Confident | 84.4 | Confident | 20 Ų | 20 | 32 Ų | 32 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | trans | -100.9 | 102.8 | 168.8 | -59.9 | -90.5 | 0 | 0 | 0 | 107.3 | H1074 S2019 S2048 E2052 E2053 | H1074-Y2050 AromaticContact CE1-CE1 3.39Å; H1074-Y2050 WeakPolarHBondContact CE1-CE1 3.38Å; H1074-Y2050 AromaticContact CE1-CZ 3.74Å; H1074-Y2050 PolarHBondContact CE1-OH 3.13Å; H1074-Y2050 AromaticContact ND1-CE1 3.58Å; S2019-Y2050 WeakPolarHBondContact OG-CD2 3.45Å; S2048-Y2050 PolarHBondContact OG-N 2.75Å; Y2050-E2052 PolarHBondContact O-N 2.78Å; Y2050-E2053 WeakPolarHBondContact O-CB 3.09Å; Y2050-E2053 PolarHBondContact O-N 2.75Å | ||
| 2051 | M | 81.1 | Confident | 84.9 | Confident | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -30.9 | -179.1 | -61.5 | -54.8 | -173.6 | 0 | 0 | 111.4 | P1049 L1892 E2053 C2054 E2055 L2164 E2165 F2168 | P1049-M2051 HydrophobicContact CG-CE 3.85Å; P1049-M2051 HydrophobicContact CG-CG 4.37Å; L1892-M2051 HydrophobicContact CD1-CE 4.09Å; L1892-M2051 HydrophobicContact CD1-SD 3.51Å; L1892-M2051 VanDerWaalsContact CD1-SD 3.51Å; L1892-M2051 HydrophobicContact CD2-CE 4.08Å; L1892-M2051 HydrophobicContact CD2-SD 3.6Å; L1892-M2051 VanDerWaalsContact CD2-SD 3.6Å; L1892-M2051 HydrophobicContact CG-SD 4.16Å; M2051-E2053 VanDerWaalsContact C-N 3.26Å; M2051-E2053 PolarHBondContact O-N 2.68Å; M2051-C2054 PolarHBondContact O-N 3.34Å; M2051-E2055 VanDerWaalsContact O-CB 3.32Å; M2051-E2055 WeakPolarHBondContact O-CB 3.41Å; M2051-E2055 PolarHBondContact O-N 3.27Å; M2051-L2164 HydrophobicContact CB-CB 4.24Å; M2051-L2164 HydrophobicContact CB-CD2 4.11Å; M2051-L2164 HydrophobicContact CG-CD2 4.5Å; M2051-L2164 HydrophobicContact SD-CD2 4.05Å; M2051-E2165 HydrophobicContact CB-CB 4.1Å; M2051-E2165 HydrophobicContact CG-CB 3.88Å; M2051-E2165 HydrophobicContact CG-CG 3.91Å; M2051-F2168 HydrophobicContact CE-CB 3.97Å; M2051-F2168 HydrophobicContact CE-CD1 3.51Å; M2051-F2168 HydrophobicContact CE-CD2 3.76Å; M2051-F2168 HydrophobicContact CE-CE1 3.8Å; M2051-F2168 HydrophobicContact CE-CE2 4.04Å; M2051-F2168 HydrophobicContact CE-CG 3.48Å; M2051-F2168 VanDerWaalsContact CE-CG 3.48Å; M2051-F2168 HydrophobicContact CE-CZ 4.04Å |
| 2052 | E | 76.6 | Confident | 85.2 | Confident | 63 Ų | 63 | 20.9 Ų | 20.9 | 29% | 0.294 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -51.8 | -40.2 | 168.5 | -57.7 | 148.6 | 158.7 | 0 | 0 | 112.5 | Y2050 E2055 L2056 | Y2050-E2052 PolarHBondContact O-N 2.78Å; E2052-E2055 PolarHBondContact O-N 3.33Å; E2052-L2056 VanDerWaalsContact O-CB 3.29Å; E2052-L2056 WeakPolarHBondContact O-CB 3.13Å; E2052-L2056 WeakPolarHBondContact O-CD1 3.42Å; E2052-L2056 WeakPolarHBondContact O-CG 3.24Å; E2052-L2056 PolarHBondContact O-N 3.48Å |
| 2053 | E | 81.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.9 | -41.2 | -178.9 | 173.2 | 169.3 | -123.2 | 0 | 0 | 111.8 | S2019 L2030 W2031 L2046 S2048 Y2050 M2051 L2056 L2057 | S2019-E2053 VanDerWaalsContact CB-OE1 3.3Å; S2019-E2053 WeakPolarHBondContact CB-OE1 3.42Å; S2019-E2053 WeakPolarHBondContact CB-OE2 3.21Å; S2019-E2053 PolarHBondContact OG-OE1 2.95Å; S2019-E2053 PolarHBondContact OG-OE2 3.3Å; L2030-E2053 WeakPolarHBondContact CD2-OE1 3.16Å; W2031-E2053 HydrophobicContact CZ2-CB 4.1Å; W2031-E2053 PolarHBondContact NE1-OE1 3.08Å; L2046-E2053 HydrophobicContact CD2-CG 4.19Å; S2048-E2053 VanDerWaalsContact CB-OE2 3.27Å; S2048-E2053 WeakPolarHBondContact CB-OE2 3.29Å; S2048-E2053 PolarHBondContact OG-OE2 3.2Å; Y2050-E2053 WeakPolarHBondContact O-CB 3.09Å; Y2050-E2053 PolarHBondContact O-N 2.75Å; M2051-E2053 VanDerWaalsContact C-N 3.26Å; M2051-E2053 PolarHBondContact O-N 2.68Å; E2053-L2056 PolarHBondContact O-N 3.39Å; E2053-L2057 HydrophobicContact CG-CD1 3.77Å; E2053-L2057 VanDerWaalsContact O-CB 3.28Å; E2053-L2057 WeakPolarHBondContact O-CB 3.26Å; E2053-L2057 VanDerWaalsContact O-CG 3.28Å; E2053-L2057 WeakPolarHBondContact O-CG 3.35Å; E2053-L2057 PolarHBondContact O-N 2.79Å |
| 2054 | C | 86 | Confident | 85.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.8 | -34.5 | 174.1 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | L1892 M2051 L2056 C2058 I2061 | L1892-C2054 HydrophobicContact CD2-CB 4.49Å; M2051-C2054 PolarHBondContact O-N 3.34Å; C2054-L2056 VanDerWaalsContact C-N 3.32Å; C2054-L2056 PolarHBondContact O-N 3.44Å; C2054-C2058 VanDerWaalsContact O-CB 3.32Å; C2054-C2058 WeakPolarHBondContact O-CB 3.49Å; C2054-C2058 PolarHBondContact O-N 2.95Å; C2054-I2061 HydrophobicContact CB-CD1 3.79Å; C2054-I2061 HydrophobicContact CB-CG1 4.41Å |
| 2055 | E | 82.7 | Confident | 84.7 | Confident | 70 Ų | 70 | 21.2 Ų | 21.2 | 33% | 0.327 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -68.1 | -28 | 175.9 | -164.5 | 176.9 | 128.6 | 0 | 0 | 112.9 | M2051 E2052 P2075 K2079 L2164 | M2051-E2055 VanDerWaalsContact O-CB 3.32Å; M2051-E2055 WeakPolarHBondContact O-CB 3.41Å; M2051-E2055 PolarHBondContact O-N 3.27Å; E2052-E2055 PolarHBondContact O-N 3.33Å; E2055-P2075 HydrophobicContact CG-CB 4.27Å; E2055-K2079 VanDerWaalsContact CD-NZ 3.28Å; E2055-K2079 VanDerWaalsContact OE1-CE 3.3Å; E2055-K2079 WeakPolarHBondContact OE1-CE 3.44Å; E2055-K2079 IonicContact OE1-NZ 2.77Å; E2055-K2079 PolarHBondContact OE1-NZ 3.29Å; E2055-K2079 WeakPolarHBondContact OE2-CE 3.33Å; E2055-K2079 IonicContact OE2-NZ 3.82Å; E2055-L2164 WeakPolarHBondContact OE2-CB 3.48Å; E2055-L2164 PolarHBondContact OE2-N 3.35Å |
| 2056 | L | 79 | Confident | 84 | Confident | 88 Ų | 88 | 25.7 Ų | 25.7 | 46% | 0.461 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -94.1 | -11 | 179.4 | -72.5 | 171.5 | 0 | 0 | 0 | 115.4 | W2031 K2035 E2052 E2053 C2054 | W2031-L2056 HydrophobicContact CE3-CD1 3.96Å; W2031-L2056 HydrophobicContact CH2-CD1 3.81Å; W2031-L2056 HydrophobicContact CZ2-CD1 4.49Å; W2031-L2056 HydrophobicContact CZ3-CD1 3.51Å; K2035-L2056 WeakPolarHBondContact CE-O 3.23Å; E2052-L2056 VanDerWaalsContact O-CB 3.29Å; E2052-L2056 WeakPolarHBondContact O-CB 3.13Å; E2052-L2056 WeakPolarHBondContact O-CD1 3.42Å; E2052-L2056 WeakPolarHBondContact O-CG 3.24Å; E2052-L2056 PolarHBondContact O-N 3.48Å; E2053-L2056 PolarHBondContact O-N 3.39Å; C2054-L2056 VanDerWaalsContact C-N 3.32Å; C2054-L2056 PolarHBondContact O-N 3.44Å |
| 2057 | L | 84.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 25.7 Ų | 25.7 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -129.4 | -33.4 | -171.9 | -61.5 | 177.3 | 0 | 0 | 0 | 115.5 | W2031 I2034 K2035 L2046 E2053 | W2031-L2057 HydrophobicContact CB-CD2 4.08Å; W2031-L2057 HydrophobicContact CG-CD1 4.28Å; W2031-L2057 HydrophobicContact CG-CD2 4.44Å; I2034-L2057 HydrophobicContact CB-CD1 4.36Å; I2034-L2057 HydrophobicContact CB-CD2 4.31Å; I2034-L2057 HydrophobicContact CD1-CD1 3.72Å; I2034-L2057 HydrophobicContact CG2-CD1 4.06Å; I2034-L2057 HydrophobicContact CG2-CD2 3.98Å; I2034-L2057 HydrophobicContact CG2-CG 4.44Å; K2035-L2057 HydrophobicContact CD-CD2 4.43Å; K2035-L2057 HydrophobicContact CG-CD2 4.03Å; L2046-L2057 HydrophobicContact CD2-CB 4.36Å; L2046-L2057 HydrophobicContact CD2-CD1 3.95Å; E2053-L2057 HydrophobicContact CG-CD1 3.77Å; E2053-L2057 VanDerWaalsContact O-CB 3.28Å; E2053-L2057 WeakPolarHBondContact O-CB 3.26Å; E2053-L2057 VanDerWaalsContact O-CG 3.28Å; E2053-L2057 WeakPolarHBondContact O-CG 3.35Å; E2053-L2057 PolarHBondContact O-N 2.79Å |
| 2058 | C | 87.6 | Confident | 83 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | trans | -89.9 | 136.7 | -170.1 | -61 | 0 | 0 | 0 | 0 | 112.4 | C1888 G1890 C2054 I2061 P2075 | C1888-C2058 CarbonylContact O-C 3.56Å; C1888-C2058 WeakPolarHBondContact O-CA 3.01Å; G1890-C2058 WeakPolarHBondContact CA-SG 3.32Å; G1890-C2058 PolarHBondContact N-SG 2.98Å; C2054-C2058 VanDerWaalsContact O-CB 3.32Å; C2054-C2058 WeakPolarHBondContact O-CB 3.49Å; C2054-C2058 PolarHBondContact O-N 2.95Å; C2058-I2061 HydrophobicContact CB-CG1 4Å; C2058-P2075 WeakPolarHBondContact O-CG 3.42Å | ||
| 2059 | N | 86.2 | Confident | 83 | Confident | 80 Ų | 80 | 29.7 Ų | 29.7 | 43% | 0.428 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -70.9 | -47.4 | 170.5 | -56.3 | 97.6 | 0 | 0 | 0 | 110.5 | E1887 C1888 | E1887-N2059 HydrophobicContact CG-CB 4.02Å; C1888-N2059 PolarHBondContact N-OD1 3.3Å; C1888-N2059 PolarHBondContact O-N 3.42Å; C1888-N2059 PolarHBondContact O-OD1 3.42Å |
| 2060 | H | 88.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 32.2 Ų | 32.2 | 33% | 0.329 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 153.6 | 175.6 | -60.1 | 108.4 | 0 | 0 | 0 | 111.1 | E1887 Y1889 G1890 G2073 | E1887-H2060 IonicContact OE1-CE1 3.18Å; E1887-H2060 IonicContact OE1-CG 3.31Å; E1887-H2060 IonicContact OE1-ND1 3.36Å; E1887-H2060 PolarHBondContact OE1-ND1 2.93Å; Y1889-H2060 HydrophobicContact CD2-CB 3.98Å; Y1889-H2060 HydrophobicContact CE2-CB 4Å; G1890-H2060 PolarHBondContact N-O 3.27Å; H2060-G2073 WeakPolarHBondContact CA-O 3.11Å |
| 2061 | I | 89.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.9 | 179.5 | -69.3 | 179.8 | 0 | 0 | 0 | 108.6 | G1890 L1892 C2054 C2058 L2063 H2072 G2073 P2075 L2078 L2164 | G1890-I2061 CarbonylContact O-C 3.58Å; G1890-I2061 WeakPolarHBondContact O-CA 3.47Å; L1892-I2061 HydrophobicContact CD1-CD1 4.5Å; L1892-I2061 HydrophobicContact CD1-CG2 3.5Å; L1892-I2061 VanDerWaalsContact CD1-CG2 3.5Å; L1892-I2061 HydrophobicContact CG-CG2 3.94Å; C2054-I2061 HydrophobicContact CB-CD1 3.79Å; C2054-I2061 HydrophobicContact CB-CG1 4.41Å; C2058-I2061 HydrophobicContact CB-CG1 4Å; I2061-L2063 HydrophobicContact CG2-CD2 4.1Å; I2061-H2072 VanDerWaalsContact O-CA 3.27Å; I2061-H2072 WeakPolarHBondContact O-CA 3.45Å; I2061-G2073 PolarHBondContact N-O 2.89Å; I2061-G2073 PolarHBondContact O-N 3.09Å; I2061-P2075 HydrophobicContact CD1-CB 4.07Å; I2061-P2075 HydrophobicContact CD1-CG 3.82Å; I2061-P2075 HydrophobicContact CG1-CG 4.32Å; I2061-L2078 HydrophobicContact CB-CD1 3.75Å; I2061-L2078 HydrophobicContact CG2-CD1 3.73Å; I2061-L2164 HydrophobicContact CD1-CD1 3.97Å; I2061-L2164 HydrophobicContact CD1-CD2 3.74Å |
| 2062 | G | 88.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1889 G1890 L1892 C2071 | Y1889-G2062 WeakPolarHBondContact OH-CA 3.47Å; G1890-G2062 PolarHBondContact O-N 3.49Å; L1892-G2062 PolarHBondContact N-O 3.13Å; G2062-C2071 CarbonylContact C-O 3.53Å; G2062-C2071 WeakPolarHBondContact CA-O 3.34Å |
| 2063 | L | 87.2 | Confident | 83.9 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 108.7 | 175.9 | -57.2 | -169.2 | 0 | 0 | 0 | 110.7 | L1892 I2061 I2069 R2070 C2071 F2168 Y2171 | L1892-L2063 HydrophobicContact CB-CD2 3.86Å; L1892-L2063 HydrophobicContact CD1-CD2 4.02Å; I2061-L2063 HydrophobicContact CG2-CD2 4.1Å; L2063-I2069 CarbonylContact O-C 3.55Å; L2063-I2069 WeakPolarHBondContact O-CA 3.36Å; L2063-R2070 PolarHBondContact O-N 3.29Å; L2063-C2071 HydrophobicContact CB-CB 4.06Å; L2063-C2071 HydrophobicContact CD1-CB 4.03Å; L2063-C2071 HydrophobicContact CG-CB 4.08Å; L2063-C2071 PolarHBondContact N-O 3.27Å; L2063-F2168 HydrophobicContact CD2-CD2 4.15Å; L2063-Y2171 HydrophobicContact CD1-CD1 3.68Å; L2063-Y2171 HydrophobicContact CD1-CE1 3.99Å; L2063-Y2171 HydrophobicContact CD1-CG 4.17Å |
| 2064 | L | 86.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 116 | 177 | -171 | 76.4 | 0 | 0 | 0 | 110.9 | L1879 L1891 L1892 G1893 A1897 K1899 I1902 Q2068 I2069 | L1879-L2064 HydrophobicContact CD1-CD1 3.82Å; L1891-L2064 HydrophobicContact CD1-CB 4.12Å; L1892-L2064 VanDerWaalsContact O-CB 3.25Å; L1892-L2064 WeakPolarHBondContact O-CB 3.02Å; L1892-L2064 PolarHBondContact O-N 3.36Å; G1893-L2064 WeakPolarHBondContact CA-O 3.31Å; A1897-L2064 HydrophobicContact CB-CD2 4.21Å; A1897-L2064 HydrophobicContact CB-CG 4.3Å; A1897-L2064 WeakPolarHBondContact CB-O 3.37Å; A1897-L2064 VanDerWaalsContact O-CD2 3.23Å; A1897-L2064 WeakPolarHBondContact O-CD2 2.93Å; A1897-L2064 WeakPolarHBondContact O-CG 3.23Å; K1899-L2064 HydrophobicContact CG-CD2 4.05Å; K1899-L2064 VanDerWaalsContact N-CD2 3.31Å; I1902-L2064 HydrophobicContact CD1-CD1 3.67Å; I1902-L2064 HydrophobicContact CD1-CD2 3.57Å; I1902-L2064 HydrophobicContact CD1-CG 4.29Å; L2064-Q2068 CarbonylContact C-O 3.48Å; L2064-Q2068 WeakPolarHBondContact CA-O 3.26Å; L2064-I2069 HydrophobicContact CD1-CG1 4.09Å |
| 2065 | I | 82.4 | Confident | 83.7 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.077 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.9 | 175.8 | -59.6 | -173.6 | 0 | 0 | 0 | 108.5 | G2067 Q2068 R2070 Y2171 I2172 Y2175 | I2065-G2067 PolarHBondContact O-N 3.44Å; I2065-G2067 VanDerWaalsContact O-N 3.07Å; I2065-Q2068 PolarHBondContact N-O 3.43Å; I2065-Q2068 PolarHBondContact O-N 2.74Å; I2065-Q2068 VanDerWaalsContact O-O 3.06Å; I2065-R2070 HydrophobicContact CB-CG 4.37Å; I2065-Y2171 HydrophobicContact CD1-CD1 3.8Å; I2065-Y2171 HydrophobicContact CD1-CE1 3.59Å; I2065-I2172 HydrophobicContact CD1-CG1 4.23Å; I2065-Y2175 HydrophobicContact CD1-CG 4.5Å; I2065-Y2175 HydrophobicContact CG2-CD1 3.91Å; I2065-Y2175 HydrophobicContact CG2-CE1 3.59Å; I2065-Y2175 HydrophobicContact CG2-CE2 4.34Å; I2065-Y2175 HydrophobicContact CG2-CG 4.41Å |
| 2066 | N | 77.2 | Confident | 83.5 | Confident | 94 Ų | 94 | 34 Ų | 34 | 50% | 0.503 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 32.9 | 178.9 | -69.2 | -32.5 | 0 | 0 | 0 | 114.9 | Y2175 | N2066-Y2175 WeakPolarHBondContact ND2-CE1 3.39Å; N2066-Y2175 PolarHBondContact ND2-OH 3.44Å |
| 2067 | G | 76.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 4.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1875 V1876 D1877 A1897 I2065 | T1875-G2067 VanDerWaalsContact O-CA 3.32Å; T1875-G2067 WeakPolarHBondContact O-CA 3.5Å; V1876-G2067 WeakPolarHBondContact CA-O 3.15Å; D1877-G2067 PolarHBondContact N-O 3.07Å; A1897-G2067 WeakPolarHBondContact O-CA 3.29Å; A1897-G2067 PolarHBondContact O-N 3.3Å; A1897-G2067 VanDerWaalsContact O-N 3.15Å; I2065-G2067 PolarHBondContact O-N 3.44Å; I2065-G2067 VanDerWaalsContact O-N 3.07Å |
| 2068 | Q | 83.4 | Confident | 83.3 | Confident | 46 Ų | 46 | 32.4 Ų | 32.4 | 22% | 0.215 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144 | -179.9 | -78.7 | 167.1 | -12.7 | 0 | 0 | 111.4 | D1877 L2064 I2065 R2070 | D1877-Q2068 HydrophobicContact CB-CG 4.44Å; D1877-Q2068 WeakPolarHBondContact O-CG 3.35Å; D1877-Q2068 PolarHBondContact O-NE2 2.84Å; L2064-Q2068 CarbonylContact C-O 3.48Å; L2064-Q2068 WeakPolarHBondContact CA-O 3.26Å; I2065-Q2068 PolarHBondContact N-O 3.43Å; I2065-Q2068 PolarHBondContact O-N 2.74Å; I2065-Q2068 VanDerWaalsContact O-O 3.06Å; Q2068-R2070 HydrophobicContact CB-CG 4.32Å; Q2068-R2070 PolarHBondContact O-N 3.14Å; Q2068-R2070 VanDerWaalsContact OE1-CZ 3.29Å; Q2068-R2070 VanDerWaalsContact OE1-NE 3.11Å |
| 2069 | I | 85 | Confident | 82.9 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 20% | 0.2 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 104.8 | 170.3 | -60.5 | 175 | 0 | 0 | 0 | 106.9 | L1879 L1881 L1891 L2063 L2064 C2071 | L1879-I2069 HydrophobicContact CD1-CD1 4.15Å; L1879-I2069 HydrophobicContact CD1-CG1 3.97Å; L1879-I2069 HydrophobicContact CD2-CD1 4.42Å; L1879-I2069 HydrophobicContact CG-CD1 4.25Å; L1879-I2069 HydrophobicContact CG-CG1 4.37Å; L1881-I2069 HydrophobicContact CB-CD1 4.2Å; L1881-I2069 HydrophobicContact CD1-CD1 4.03Å; L1881-I2069 HydrophobicContact CG-CD1 4.49Å; L1891-I2069 HydrophobicContact CD1-CD1 4.46Å; L2063-I2069 CarbonylContact O-C 3.55Å; L2063-I2069 WeakPolarHBondContact O-CA 3.36Å; L2064-I2069 HydrophobicContact CD1-CG1 4.09Å; I2069-C2071 WeakPolarHBondContact CG2-O 3.21Å |
| 2070 | R | 82.5 | Confident | 82.3 | Confident | 59 Ų | 59 | 32.5 Ų | 32.5 | 22% | 0.223 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -15 | -173.9 | -72.5 | -62.6 | -172.5 | 145.8 | -2.6 | 114.3 | L2063 I2065 Q2068 Y2171 S2182 N2183 | L2063-R2070 PolarHBondContact O-N 3.29Å; I2065-R2070 HydrophobicContact CB-CG 4.37Å; Q2068-R2070 HydrophobicContact CB-CG 4.32Å; Q2068-R2070 PolarHBondContact O-N 3.14Å; Q2068-R2070 VanDerWaalsContact OE1-CZ 3.29Å; Q2068-R2070 VanDerWaalsContact OE1-NE 3.11Å; R2070-Y2171 PolarHBondContact O-OH 3.1Å; R2070-S2182 PolarHBondContact NH1-O 3.22Å; R2070-N2183 PolarHBondContact NH1-O 3.29Å |
| 2071 | C | 81.6 | Confident | 81.7 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 5% | 0.054 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 146.4 | 172.1 | -167.9 | 0 | 0 | 0 | 0 | 109.7 | G2062 L2063 I2069 L2078 Y2082 Y2171 | G2062-C2071 CarbonylContact C-O 3.53Å; G2062-C2071 WeakPolarHBondContact CA-O 3.34Å; L2063-C2071 HydrophobicContact CB-CB 4.06Å; L2063-C2071 HydrophobicContact CD1-CB 4.03Å; L2063-C2071 HydrophobicContact CG-CB 4.08Å; L2063-C2071 PolarHBondContact N-O 3.27Å; I2069-C2071 WeakPolarHBondContact CG2-O 3.21Å; C2071-L2078 WeakPolarHBondContact SG-CD2 3.4Å; C2071-Y2082 WeakPolarHBondContact SG-CE2 3.06Å; C2071-Y2082 PolarHBondContact SG-OH 3.17Å; C2071-Y2171 HydrophobicContact CB-CE1 4.31Å; C2071-Y2171 HydrophobicContact CB-CE2 4.45Å |
| 2072 | H | 83.6 | Confident | 81.1 | Confident | 135 Ų | 135 | 37.5 Ų | 37.5 | 63% | 0.625 | 18% | 0.178 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 153.7 | 169.6 | 68.5 | -79.6 | 0 | 0 | 0 | 110.7 | I2061 | I2061-H2072 VanDerWaalsContact O-CA 3.27Å; I2061-H2072 WeakPolarHBondContact O-CA 3.45Å |
| 2073 | G | 82.9 | Confident | 80.4 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.2 | 179.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H2060 I2061 | H2060-G2073 WeakPolarHBondContact CA-O 3.11Å; I2061-G2073 PolarHBondContact N-O 2.89Å; I2061-G2073 PolarHBondContact O-N 3.09Å |
| 2074 | S | 82.2 | Confident | 79.6 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | trans | -67.4 | 159.1 | 170.5 | 88.4 | 0 | 0 | 0 | 0 | 111.6 | L2076 E2077 L2078 | S2074-L2076 PolarHBondContact O-N 3.05Å; S2074-L2076 PolarHBondContact OG-N 2.76Å; S2074-E2077 PolarHBondContact N-OE1 3.19Å; S2074-E2077 PolarHBondContact O-N 3.47Å; S2074-E2077 WeakPolarHBondContact OG-CG 3.46Å; S2074-E2077 PolarHBondContact OG-N 3.18Å; S2074-E2077 VanDerWaalsContact OG-N 3.08Å; S2074-L2078 WeakPolarHBondContact O-CG 3.09Å; S2074-L2078 PolarHBondContact O-N 3.32Å | ||
| 2075 | P | 82.1 | Confident | 79.2 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.4 | -35.4 | 176.3 | -23.2 | 31.9 | 0 | 0 | 0 | 113.2 | E2055 C2058 I2061 K2079 L2164 | E2055-P2075 HydrophobicContact CG-CB 4.27Å; C2058-P2075 WeakPolarHBondContact O-CG 3.42Å; I2061-P2075 HydrophobicContact CD1-CB 4.07Å; I2061-P2075 HydrophobicContact CD1-CG 3.82Å; I2061-P2075 HydrophobicContact CG1-CG 4.32Å; P2075-K2079 WeakPolarHBondContact O-CG 3.39Å; P2075-K2079 PolarHBondContact O-N 3.13Å; P2075-L2164 HydrophobicContact CB-CD1 4.17Å |
| 2076 | L | 77.7 | Confident | 79 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -81.3 | -37.4 | -176.5 | -157.7 | 151.6 | 0 | 0 | 0 | 111.7 | H1189 S2074 L2078 K2079 Q2080 | H1189-L2076 HydrophobicContact CB-CD2 3.53Å; S2074-L2076 PolarHBondContact O-N 3.05Å; S2074-L2076 PolarHBondContact OG-N 2.76Å; L2076-L2078 VanDerWaalsContact C-N 3.31Å; L2076-L2078 PolarHBondContact O-N 2.99Å; L2076-K2079 WeakPolarHBondContact O-CB 3.44Å; L2076-K2079 PolarHBondContact O-N 3.22Å; L2076-Q2080 HydrophobicContact CD2-CG 4.39Å; L2076-Q2080 VanDerWaalsContact CD2-NE2 3.34Å; L2076-Q2080 PolarHBondContact O-N 2.99Å; L2076-Q2080 VanDerWaalsContact O-N 3.1Å |
| 2077 | E | 79.2 | Confident | 79.2 | Confident | 63 Ų | 63 | 36.4 Ų | 36.4 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 168.4 | -76.7 | 175.2 | -123 | 0 | 0 | 111.9 | S2074 Q2080 K2081 | S2074-E2077 PolarHBondContact N-OE1 3.19Å; S2074-E2077 PolarHBondContact O-N 3.47Å; S2074-E2077 WeakPolarHBondContact OG-CG 3.46Å; S2074-E2077 PolarHBondContact OG-N 3.18Å; S2074-E2077 VanDerWaalsContact OG-N 3.08Å; E2077-Q2080 PolarHBondContact O-N 3.45Å; E2077-K2081 HydrophobicContact CB-CD 4.33Å; E2077-K2081 WeakPolarHBondContact O-CB 3.48Å; E2077-K2081 WeakPolarHBondContact O-CD 3.43Å; E2077-K2081 VanDerWaalsContact O-CG 3.22Å; E2077-K2081 WeakPolarHBondContact O-CG 3.48Å; E2077-K2081 PolarHBondContact O-N 3.32Å; E2077-K2081 IonicContact OE2-NZ 3.68Å; E2077-K2081 PolarHBondContact OE2-NZ 2.88Å |
| 2078 | L | 80.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.7 | -36.7 | -179 | -67.1 | 177 | 0 | 0 | 0 | 111.9 | I2061 C2071 S2074 L2076 Y2082 L2164 V2167 | I2061-L2078 HydrophobicContact CB-CD1 3.75Å; I2061-L2078 HydrophobicContact CG2-CD1 3.73Å; C2071-L2078 WeakPolarHBondContact SG-CD2 3.4Å; S2074-L2078 WeakPolarHBondContact O-CG 3.09Å; S2074-L2078 PolarHBondContact O-N 3.32Å; L2076-L2078 VanDerWaalsContact C-N 3.31Å; L2076-L2078 PolarHBondContact O-N 2.99Å; L2078-Y2082 HydrophobicContact CD2-CD2 4.46Å; L2078-Y2082 HydrophobicContact CD2-CE2 4.19Å; L2078-Y2082 PolarHBondContact O-N 3.19Å; L2078-L2164 HydrophobicContact CB-CD1 4.21Å; L2078-L2164 HydrophobicContact CD1-CD1 4.46Å; L2078-V2167 HydrophobicContact CB-CG1 4.29Å; L2078-V2167 WeakPolarHBondContact O-CG1 3.27Å |
| 2079 | K | 79.5 | Confident | 79.2 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 169 | -75.9 | 179.4 | 177.1 | -175.1 | 0 | 112 | E1191 E2055 P2075 L2076 G2083 V2167 | E1191-K2079 IonicContact OE1-NZ 2.73Å; E1191-K2079 PolarHBondContact OE1-NZ 3.08Å; E1191-K2079 IonicContact OE2-NZ 3.71Å; E1191-K2079 PolarHBondContact OE2-NZ 2.99Å; E2055-K2079 VanDerWaalsContact CD-NZ 3.28Å; E2055-K2079 VanDerWaalsContact OE1-CE 3.3Å; E2055-K2079 WeakPolarHBondContact OE1-CE 3.44Å; E2055-K2079 IonicContact OE1-NZ 2.77Å; E2055-K2079 PolarHBondContact OE1-NZ 3.29Å; E2055-K2079 WeakPolarHBondContact OE2-CE 3.33Å; E2055-K2079 IonicContact OE2-NZ 3.82Å; P2075-K2079 WeakPolarHBondContact O-CG 3.39Å; P2075-K2079 PolarHBondContact O-N 3.13Å; L2076-K2079 WeakPolarHBondContact O-CB 3.44Å; L2076-K2079 PolarHBondContact O-N 3.22Å; K2079-G2083 WeakPolarHBondContact O-CA 3.47Å; K2079-G2083 PolarHBondContact O-N 3.45Å; K2079-V2167 HydrophobicContact CB-CG2 4.49Å; K2079-V2167 HydrophobicContact CG-CG2 4.29Å |
| 2080 | Q | 73.2 | Confident | 79 | Confident | 85 Ų | 85 | 32.4 Ų | 32.4 | 40% | 0.397 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -74.7 | -34.2 | -178.3 | -67 | -172.9 | 13 | 0 | 0 | 114 | H1189 L2076 E2077 | H1189-Q2080 PolarHBondContact CE1-OE1 3.16Å; H1189-Q2080 VanDerWaalsContact CE1-OE1 3.25Å; H1189-Q2080 PolarHBondContact ND1-NE2 3.27Å; H1189-Q2080 PolarHBondContact ND1-OE1 2.97Å; L2076-Q2080 HydrophobicContact CD2-CG 4.39Å; L2076-Q2080 VanDerWaalsContact CD2-NE2 3.34Å; L2076-Q2080 PolarHBondContact O-N 2.99Å; L2076-Q2080 VanDerWaalsContact O-N 3.1Å; E2077-Q2080 PolarHBondContact O-N 3.45Å |
| 2081 | K | 74.8 | Confident | 78.7 | Confident | 113 Ų | 113 | 30.9 Ų | 30.9 | 49% | 0.491 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -75.1 | -30.3 | -176.9 | -71.9 | 166 | -179.9 | 174.4 | 0 | 113.4 | E2077 | E2077-K2081 HydrophobicContact CB-CD 4.33Å; E2077-K2081 WeakPolarHBondContact O-CB 3.48Å; E2077-K2081 WeakPolarHBondContact O-CD 3.43Å; E2077-K2081 VanDerWaalsContact O-CG 3.22Å; E2077-K2081 WeakPolarHBondContact O-CG 3.48Å; E2077-K2081 PolarHBondContact O-N 3.32Å; E2077-K2081 IonicContact OE2-NZ 3.68Å; E2077-K2081 PolarHBondContact OE2-NZ 2.88Å |
| 2082 | Y | 77.4 | Confident | 78.5 | Confident | 63 Ų | 63 | 30.7 Ų | 30.7 | 25% | 0.247 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -139.7 | 7.9 | -174.4 | -46.1 | -81.2 | 0 | 0 | 0 | 115.3 | C2071 L2078 Y2171 | C2071-Y2082 WeakPolarHBondContact SG-CE2 3.06Å; C2071-Y2082 PolarHBondContact SG-OH 3.17Å; L2078-Y2082 HydrophobicContact CD2-CD2 4.46Å; L2078-Y2082 HydrophobicContact CD2-CE2 4.19Å; L2078-Y2082 PolarHBondContact O-N 3.19Å; Y2082-Y2171 AromaticContact CD1-CD2 3.64Å; Y2082-Y2171 HydrophobicContact CD1-CD2 3.64Å; Y2082-Y2171 HydrophobicContact CD1-CE2 4.13Å; Y2082-Y2171 HydrophobicContact CD2-CD2 4.35Å; Y2082-Y2171 AromaticContact CE1-CD2 3.67Å; Y2082-Y2171 HydrophobicContact CE1-CD2 3.67Å; Y2082-Y2171 AromaticContact CE1-CE2 3.65Å; Y2082-Y2171 HydrophobicContact CE1-CE2 3.65Å; Y2082-Y2171 HydrophobicContact CE2-CD2 4.38Å; Y2082-Y2171 HydrophobicContact CE2-CE2 4.39Å; Y2082-Y2171 AromaticContact CG-CD2 3.98Å; Y2082-Y2171 HydrophobicContact CG-CD2 3.98Å; Y2082-Y2171 AromaticContact CZ-CE2 3.78Å |
| 2083 | G | 72.7 | Confident | 78 | Confident | 23 Ų | 23 | 26.5 Ų | 26.5 | 24% | 0.237 | 13% | 0.133 | C | C | . | . | trans | -73.9 | 145.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | K2079 G2085 S2162 | K2079-G2083 WeakPolarHBondContact O-CA 3.47Å; K2079-G2083 PolarHBondContact O-N 3.45Å; G2083-G2085 VanDerWaalsContact C-N 3.32Å; G2083-S2162 WeakPolarHBondContact CA-OG 3.43Å | ||
| 2084 | I | 71.9 | Confident | 77.1 | Confident | 39 Ų | 39 | 30.5 Ų | 30.5 | 20% | 0.2 | 16% | 0.157 | C | C | . | . | trans | -72.7 | -27.7 | 176.6 | -74.6 | 169.5 | 0 | 0 | 0 | 111.5 | Y2127 Y2128 N2130 N2170 | I2084-Y2127 HydrophobicContact CG2-CD2 3.79Å; I2084-Y2127 HydrophobicContact CG2-CE2 4.44Å; I2084-Y2127 HydrophobicContact CG2-CG 4.48Å; I2084-Y2128 VanDerWaalsContact O-O 3.05Å; I2084-N2130 WeakPolarHBondContact O-CB 3.43Å; I2084-N2130 PolarHBondContact O-N 2.9Å; I2084-N2170 VanDerWaalsContact CD1-ND2 3.26Å; I2084-N2170 WeakPolarHBondContact CD1-ND2 3.45Å; I2084-N2170 WeakPolarHBondContact CG1-ND2 3.49Å | ||
| 2085 | G | 76.7 | Confident | 76.3 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | 133.5 | -130.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | G2083 H2161 S2162 | G2083-G2085 VanDerWaalsContact C-N 3.32Å; G2085-H2161 PolarHBondContact O-ND1 3.08Å; G2085-S2162 WeakPolarHBondContact O-CB 3.39Å; G2085-S2162 PolarHBondContact O-N 3.44Å; G2085-S2162 PolarHBondContact O-OG 3.4Å | ||
| 2086 | Y | 78.7 | Confident | 75.4 | Confident | 22 Ų | 22 | 34.8 Ų | 34.8 | 9% | 0.086 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.3 | -178.2 | -65 | -77.4 | 0 | 0 | 0 | 111.7 | I1192 Y2128 L2138 L2141 I2159 R2160 H2161 | I1192-Y2086 HydrophobicContact CG2-CE1 4.04Å; Y2086-Y2128 PolarHBondContact O-N 3.43Å; Y2086-L2138 HydrophobicContact CD1-CD1 4.48Å; Y2086-L2138 HydrophobicContact CD2-CD1 4.18Å; Y2086-L2138 HydrophobicContact CE1-CD1 4.25Å; Y2086-L2138 HydrophobicContact CE1-CD2 4.47Å; Y2086-L2138 HydrophobicContact CE2-CD1 3.92Å; Y2086-L2138 HydrophobicContact CG-CD1 4.46Å; Y2086-L2141 HydrophobicContact CD2-CD1 4.49Å; Y2086-L2141 HydrophobicContact CG-CD1 4.41Å; Y2086-I2159 HydrophobicContact CD1-CG2 4.32Å; Y2086-R2160 WeakPolarHBondContact CA-O 3.28Å; Y2086-H2161 HydrophobicContact CD1-CB 3.99Å; Y2086-H2161 AromaticContact CD1-ND1 3.5Å; Y2086-H2161 HydrophobicContact CE1-CB 3.88Å; Y2086-H2161 AromaticContact CE1-CG 3.86Å; Y2086-H2161 AromaticContact CE1-ND1 3.19Å; Y2086-H2161 WeakPolarHBondContact CE1-ND1 3.5Å; Y2086-H2161 AromaticContact CZ-ND1 3.59Å |
| 2087 | Y | 80.7 | Confident | 74.5 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 140.8 | 168.4 | -63.1 | -75.3 | 0 | 0 | 0 | 109.7 | R2117 Y2126 Y2127 I2159 R2160 D2166 | Y2087-R2117 VanDerWaalsContact CZ-NH1 3.26Å; Y2087-Y2126 WeakPolarHBondContact CA-O 3.44Å; Y2087-Y2127 VanDerWaalsContact CD1-CB 3.5Å; Y2087-Y2127 VanDerWaalsContact CE1-CB 3.47Å; Y2087-Y2127 HydrophobicContact CE1-CG 4.28Å; Y2087-I2159 WeakPolarHBondContact O-CA 3Å; Y2087-R2160 PolarHBondContact N-O 2.71Å; Y2087-R2160 PolarHBondContact O-N 2.96Å; Y2087-D2166 HydrophobicContact CE2-CB 4.17Å |
| 2088 | M | 80.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 115.3 | -177.9 | -177.6 | -160.8 | -71.2 | 0 | 0 | 108.7 | I2090 L2111 F2114 E2125 Y2126 L2141 L2145 I2157 I2159 | M2088-I2090 HydrophobicContact CG-CG1 4.09Å; M2088-I2090 HydrophobicContact SD-CD1 3.74Å; M2088-I2090 HydrophobicContact SD-CG1 3.89Å; M2088-L2111 HydrophobicContact CE-CD1 3.92Å; M2088-L2111 HydrophobicContact CE-CD2 4.44Å; M2088-L2111 HydrophobicContact SD-CD1 4.14Å; M2088-F2114 HydrophobicContact CB-CE1 4.07Å; M2088-F2114 HydrophobicContact CE-CD1 4.21Å; M2088-F2114 HydrophobicContact CE-CE1 3.5Å; M2088-F2114 HydrophobicContact CE-CE2 4.19Å; M2088-F2114 HydrophobicContact CE-CZ 3.49Å; M2088-F2114 VanDerWaalsContact CE-CZ 3.49Å; M2088-F2114 HydrophobicContact SD-CE1 4.33Å; M2088-E2125 WeakPolarHBondContact O-CA 3.44Å; M2088-Y2126 PolarHBondContact N-O 2.97Å; M2088-Y2126 PolarHBondContact O-N 2.96Å; M2088-L2141 HydrophobicContact CE-CD2 3.67Å; M2088-L2141 HydrophobicContact CE-CG 3.94Å; M2088-L2145 HydrophobicContact CE-CD1 3.88Å; M2088-L2145 HydrophobicContact CE-CD2 3.81Å; M2088-L2145 HydrophobicContact CE-CG 3.85Å; M2088-L2145 HydrophobicContact SD-CD1 4.36Å; M2088-L2145 HydrophobicContact SD-CD2 3.7Å; M2088-L2145 HydrophobicContact SD-CG 4.35Å; M2088-I2157 HydrophobicContact CG-CG2 4.26Å; M2088-I2159 HydrophobicContact CG-CG1 4.37Å |
| 2089 | N | 79.9 | Confident | 72.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.011 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129 | 164.5 | -59.8 | -71.8 | 0 | 0 | 0 | 108.7 | R2123 Q2124 E2125 I2157 S2158 | N2089-R2123 VanDerWaalsContact CG-NH2 3.31Å; N2089-R2123 PolarHBondContact ND2-NH2 3.48Å; N2089-R2123 PolarHBondContact OD1-NE 2.6Å; N2089-R2123 PolarHBondContact OD1-NH2 2.99Å; N2089-Q2124 WeakPolarHBondContact CA-O 3.38Å; N2089-E2125 WeakPolarHBondContact OD1-CB 3.2Å; N2089-I2157 WeakPolarHBondContact O-CA 3.35Å; N2089-S2158 WeakPolarHBondContact CB-OG 3.03Å; N2089-S2158 PolarHBondContact N-O 2.97Å; N2089-S2158 PolarHBondContact ND2-OG 3.43Å; N2089-S2158 PolarHBondContact O-N 2.9Å |
| 2090 | I | 79.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128 | 168.2 | -56.1 | 169.1 | 0 | 0 | 0 | 107.3 | M2088 F2092 M2107 R2123 Q2124 Y2126 I2154 | M2088-I2090 HydrophobicContact CG-CG1 4.09Å; M2088-I2090 HydrophobicContact SD-CD1 3.74Å; M2088-I2090 HydrophobicContact SD-CG1 3.89Å; I2090-F2092 HydrophobicContact CB-CE1 4.26Å; I2090-F2092 HydrophobicContact CB-CE2 4.45Å; I2090-F2092 HydrophobicContact CB-CZ 4.15Å; I2090-F2092 HydrophobicContact CD1-CZ 4.2Å; I2090-F2092 HydrophobicContact CG2-CD1 3.61Å; I2090-F2092 HydrophobicContact CG2-CE1 3.41Å; I2090-F2092 VanDerWaalsContact CG2-CE1 3.41Å; I2090-F2092 HydrophobicContact CG2-CE2 4.34Å; I2090-F2092 HydrophobicContact CG2-CG 4.2Å; I2090-F2092 HydrophobicContact CG2-CZ 3.81Å; I2090-M2107 HydrophobicContact CD1-CE 3.45Å; I2090-M2107 VanDerWaalsContact CD1-CE 3.45Å; I2090-M2107 HydrophobicContact CD1-SD 4.36Å; I2090-R2123 CarbonylContact O-C 3.57Å; I2090-R2123 VanDerWaalsContact O-CA 3.28Å; I2090-R2123 WeakPolarHBondContact O-CA 3.24Å; I2090-Q2124 PolarHBondContact N-O 3.09Å; I2090-Q2124 PolarHBondContact O-N 3.48Å; I2090-Y2126 HydrophobicContact CD1-CD2 4.33Å; I2090-Y2126 HydrophobicContact CD1-CE2 4.17Å; I2090-I2154 HydrophobicContact CG2-CB 4.29Å; I2090-I2154 HydrophobicContact CG2-CD1 3.99Å; I2090-I2154 HydrophobicContact CG2-CG1 3.76Å; I2090-I2154 HydrophobicContact CG2-CG2 3.81Å |
| 2091 | Q | 77.5 | Confident | 71.5 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133.4 | 160.5 | -174 | -178.9 | -63.2 | 0 | 0 | 108.7 | S1098 L1100 T2122 D2155 S2156 | S1098-Q2091 PolarHBondContact OG-OE1 2.94Å; L1100-Q2091 HydrophobicContact CD2-CB 3.88Å; Q2091-T2122 CarbonylContact C-O 3.59Å; Q2091-T2122 WeakPolarHBondContact CA-O 3.23Å; Q2091-T2122 WeakPolarHBondContact CG-O 3.32Å; Q2091-D2155 HydrophobicContact CB-CB 4.3Å; Q2091-D2155 HydrophobicContact CG-CB 4.13Å; Q2091-D2155 PolarHBondContact NE2-OD2 3.16Å; Q2091-D2155 PolarHBondContact O-N 2.92Å; Q2091-S2156 PolarHBondContact N-O 3.39Å |
| 2092 | F | 76.5 | Confident | 71.1 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136 | -172 | -77.1 | -48.9 | 0 | 0 | 0 | 110.7 | I2090 I2096 L2103 T2122 Q2124 I2153 I2154 | I2090-F2092 HydrophobicContact CB-CE1 4.26Å; I2090-F2092 HydrophobicContact CB-CE2 4.45Å; I2090-F2092 HydrophobicContact CB-CZ 4.15Å; I2090-F2092 HydrophobicContact CD1-CZ 4.2Å; I2090-F2092 HydrophobicContact CG2-CD1 3.61Å; I2090-F2092 HydrophobicContact CG2-CE1 3.41Å; I2090-F2092 VanDerWaalsContact CG2-CE1 3.41Å; I2090-F2092 HydrophobicContact CG2-CE2 4.34Å; I2090-F2092 HydrophobicContact CG2-CG 4.2Å; I2090-F2092 HydrophobicContact CG2-CZ 3.81Å; F2092-I2096 HydrophobicContact CB-CB 4.44Å; F2092-I2096 HydrophobicContact CB-CD1 3.46Å; F2092-I2096 VanDerWaalsContact CB-CD1 3.46Å; F2092-I2096 HydrophobicContact CB-CG2 4.25Å; F2092-I2096 HydrophobicContact CD1-CD1 3.17Å; F2092-I2096 HydrophobicContact CD2-CD1 3.88Å; F2092-I2096 HydrophobicContact CE1-CD1 3.72Å; F2092-I2096 HydrophobicContact CE2-CD1 4.36Å; F2092-I2096 HydrophobicContact CG-CD1 3.25Å; F2092-I2096 HydrophobicContact CZ-CD1 4.29Å; F2092-L2103 HydrophobicContact CZ-CD2 4.4Å; F2092-T2122 PolarHBondContact N-O 3.22Å; F2092-Q2124 HydrophobicContact CD2-CB 4.46Å; F2092-Q2124 HydrophobicContact CD2-CG 4.04Å; F2092-Q2124 HydrophobicContact CE2-CB 3.95Å; F2092-Q2124 HydrophobicContact CE2-CG 3.82Å; F2092-I2153 HydrophobicContact CD1-CG2 3.82Å; F2092-I2153 HydrophobicContact CE1-CG2 3.93Å; F2092-I2154 HydrophobicContact CD1-CG1 4.35Å; F2092-I2154 HydrophobicContact CE1-CG1 4.22Å |
| 2093 | N | 73.7 | Confident | 70.6 | Confident | 48 Ų | 48 | 51 Ų | 51 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | trans | -59.6 | 147.5 | 177.9 | -172.9 | -51.1 | 0 | 0 | 0 | 110.8 | N2095 I2096 I2153 D2155 | N2093-N2095 PolarHBondContact O-N 3.41Å; N2093-N2095 PolarHBondContact OD1-N 2.81Å; N2093-N2095 VanDerWaalsContact OD1-N 3.11Å; N2093-I2096 WeakPolarHBondContact O-CB 3.45Å; N2093-I2096 PolarHBondContact O-N 2.81Å; N2093-I2153 PolarHBondContact N-O 3.4Å; N2093-I2153 VanDerWaalsContact N-O 3.13Å; N2093-D2155 VanDerWaalsContact CA-OD1 3.27Å; N2093-D2155 WeakPolarHBondContact CA-OD1 3.4Å; N2093-D2155 VanDerWaalsContact CB-OD1 3.32Å; N2093-D2155 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 2094 | T | 64.1 | Low | 70.4 | Confident | 87 Ų | 87 | 54.6 Ų | 54.6 | 53% | 0.534 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -53.7 | -24.1 | 178.8 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | I2096 | T2094-I2096 PolarHBondContact O-N 2.71Å; T2094-I2096 VanDerWaalsContact O-N 3.12Å |
| 2095 | N | 65.2 | Low | 70.3 | Confident | 103 Ų | 103 | 56.6 Ų | 56.6 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -62.6 | -13.1 | 175.9 | -66.9 | -14.9 | 0 | 0 | 0 | 114.1 | N2093 L2097 N2098 | N2093-N2095 PolarHBondContact O-N 3.41Å; N2093-N2095 PolarHBondContact OD1-N 2.81Å; N2093-N2095 VanDerWaalsContact OD1-N 3.11Å; N2095-L2097 PolarHBondContact O-N 3.41Å; N2095-L2097 VanDerWaalsContact O-N 3.15Å; N2095-N2098 WeakPolarHBondContact O-CB 3.05Å; N2095-N2098 PolarHBondContact O-N 2.67Å; N2095-N2098 VanDerWaalsContact O-N 3.17Å |
| 2096 | I | 63.3 | Low | 70 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -69.6 | -11.8 | -173 | -127.4 | 168.3 | 0 | 0 | 0 | 114.9 | F2092 N2093 T2094 N2098 Y2099 T2100 L2103 I2153 | F2092-I2096 HydrophobicContact CB-CB 4.44Å; F2092-I2096 HydrophobicContact CB-CD1 3.46Å; F2092-I2096 VanDerWaalsContact CB-CD1 3.46Å; F2092-I2096 HydrophobicContact CB-CG2 4.25Å; F2092-I2096 HydrophobicContact CD1-CD1 3.17Å; F2092-I2096 HydrophobicContact CD2-CD1 3.88Å; F2092-I2096 HydrophobicContact CE1-CD1 3.72Å; F2092-I2096 HydrophobicContact CE2-CD1 4.36Å; F2092-I2096 HydrophobicContact CG-CD1 3.25Å; F2092-I2096 HydrophobicContact CZ-CD1 4.29Å; N2093-I2096 WeakPolarHBondContact O-CB 3.45Å; N2093-I2096 PolarHBondContact O-N 2.81Å; T2094-I2096 PolarHBondContact O-N 2.71Å; T2094-I2096 VanDerWaalsContact O-N 3.12Å; I2096-N2098 PolarHBondContact O-N 3.31Å; I2096-Y2099 PolarHBondContact O-N 3.01Å; I2096-T2100 PolarHBondContact O-N 2.99Å; I2096-L2103 HydrophobicContact CB-CD1 4.46Å; I2096-L2103 HydrophobicContact CD1-CD1 3.66Å; I2096-L2103 HydrophobicContact CD1-CD2 3.65Å; I2096-L2103 HydrophobicContact CD1-CG 4.18Å; I2096-L2103 HydrophobicContact CG1-CD1 3.64Å; I2096-L2103 HydrophobicContact CG1-CD2 4.03Å; I2096-L2103 HydrophobicContact CG1-CG 4.16Å; I2096-L2103 HydrophobicContact CG2-CD1 4.13Å; I2096-I2153 HydrophobicContact CD1-CG2 3.36Å; I2096-I2153 HydrophobicContact CG1-CG2 4.04Å |
| 2097 | L | 59.2 | Low | 69.7 | Low | 108 Ų | 108 | 57.6 Ų | 57.6 | 57% | 0.565 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -58.2 | -24.9 | 169.9 | -71.6 | 179.6 | 0 | 0 | 0 | 112.7 | I878 N2095 Y2099 T2100 | I878-L2097 HydrophobicContact CD1-CD1 3.57Å; I878-L2097 HydrophobicContact CG1-CD1 4.31Å; N2095-L2097 PolarHBondContact O-N 3.41Å; N2095-L2097 VanDerWaalsContact O-N 3.15Å; L2097-Y2099 VanDerWaalsContact C-N 3.25Å; L2097-Y2099 PolarHBondContact O-N 2.98Å; L2097-T2100 HydrophobicContact CD2-CG2 4.26Å |
| 2098 | N | 61.9 | Low | 69.4 | Low | 140 Ų | 140 | 60.8 Ų | 60.8 | 75% | 0.749 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -74.2 | -14.3 | 174 | -61.7 | -11.6 | 0 | 0 | 0 | 113.3 | N2095 I2096 | N2095-N2098 WeakPolarHBondContact O-CB 3.05Å; N2095-N2098 PolarHBondContact O-N 2.67Å; N2095-N2098 VanDerWaalsContact O-N 3.17Å; I2096-N2098 PolarHBondContact O-N 3.31Å |
| 2099 | Y | 61.8 | Low | 69 | Low | 111 Ų | 111 | 66.8 Ų | 66.8 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 2.6 | -171 | -67 | -81.5 | 0 | 0 | 0 | 114.2 | I2096 L2097 N2101 N2102 L2103 | I2096-Y2099 PolarHBondContact O-N 3.01Å; L2097-Y2099 VanDerWaalsContact C-N 3.25Å; L2097-Y2099 PolarHBondContact O-N 2.98Å; Y2099-N2101 PolarHBondContact O-N 3.44Å; Y2099-N2102 CarbonylContact O-C 3.57Å; Y2099-N2102 PolarHBondContact O-N 3.36Å; Y2099-L2103 PolarHBondContact O-N 3.35Å |
| 2100 | T | 61.2 | Low | 68.6 | Low | 79 Ų | 79 | 70.4 Ų | 70.4 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -37.9 | -172.9 | 48.4 | 0 | 0 | 0 | 0 | 114.4 | I2096 L2097 | I2096-T2100 PolarHBondContact O-N 2.99Å; L2097-T2100 HydrophobicContact CD2-CG2 4.26Å |
| 2101 | N | 63.2 | Low | 68.3 | Low | 145 Ų | 145 | 70.8 Ų | 70.8 | 78% | 0.775 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -24.9 | 180 | -63.5 | -6.4 | 0 | 0 | 0 | 113.3 | Y2099 | Y2099-N2101 PolarHBondContact O-N 3.44Š|
| 2102 | N | 66.3 | Low | 67.7 | Low | 96 Ų | 96 | 74 Ų | 74 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -12.7 | -177.5 | -70 | -2.4 | 0 | 0 | 0 | 113.2 | Y2099 H2104 T2105 I2106 | Y2099-N2102 CarbonylContact O-C 3.57Å; Y2099-N2102 PolarHBondContact O-N 3.36Å; N2102-H2104 VanDerWaalsContact C-N 3.27Å; N2102-H2104 PolarHBondContact O-N 2.7Å; N2102-T2105 PolarHBondContact O-N 2.88Å; N2102-T2105 PolarHBondContact O-OG1 3.44Å; N2102-I2106 HydrophobicContact CB-CD1 4.26Å; N2102-I2106 WeakPolarHBondContact O-CG1 3.45Å; N2102-I2106 PolarHBondContact O-N 3.45Å |
| 2103 | L | 67.8 | Low | 67.3 | Low | 12 Ų | 12 | 76.9 Ų | 76.9 | 6% | 0.063 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.6 | -40.8 | -178.9 | -92.1 | 168.7 | 0 | 0 | 0 | 112.9 | F2092 I2096 Y2099 T2105 I2106 M2107 | F2092-L2103 HydrophobicContact CZ-CD2 4.4Å; I2096-L2103 HydrophobicContact CB-CD1 4.46Å; I2096-L2103 HydrophobicContact CD1-CD1 3.66Å; I2096-L2103 HydrophobicContact CD1-CD2 3.65Å; I2096-L2103 HydrophobicContact CD1-CG 4.18Å; I2096-L2103 HydrophobicContact CG1-CD1 3.64Å; I2096-L2103 HydrophobicContact CG1-CD2 4.03Å; I2096-L2103 HydrophobicContact CG1-CG 4.16Å; I2096-L2103 HydrophobicContact CG2-CD1 4.13Å; Y2099-L2103 PolarHBondContact O-N 3.35Å; L2103-T2105 VanDerWaalsContact C-N 3.33Å; L2103-T2105 PolarHBondContact O-N 3.03Å; L2103-I2106 PolarHBondContact O-N 3.15Å; L2103-M2107 VanDerWaalsContact O-CB 3.32Å; L2103-M2107 WeakPolarHBondContact O-CB 3.38Å; L2103-M2107 WeakPolarHBondContact O-CG 3.01Å; L2103-M2107 PolarHBondContact O-N 3.49Å |
| 2104 | H | 68.8 | Low | 67.2 | Low | 98 Ų | 98 | 75.2 Ų | 75.2 | 45% | 0.454 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.1 | -29.2 | -176.4 | -150.1 | -35.3 | 0 | 0 | 0 | 112.6 | N2102 N2108 | N2102-H2104 VanDerWaalsContact C-N 3.27Å; N2102-H2104 PolarHBondContact O-N 2.7Å; H2104-N2108 PolarHBondContact CE1-OD1 3.26Å; H2104-N2108 VanDerWaalsContact CE1-OD1 3.28Å; H2104-N2108 PolarHBondContact ND1-OD1 3Å; H2104-N2108 WeakPolarHBondContact O-CB 3.47Å; H2104-N2108 PolarHBondContact O-N 3.02Å; H2104-N2108 VanDerWaalsContact O-N 3.13Å; H2104-N2108 PolarHBondContact O-OD1 2.81Å; H2104-N2108 VanDerWaalsContact O-OD1 3.07Å |
| 2105 | T | 70 | Confident | 67.7 | Low | 80 Ų | 80 | 75.9 Ų | 75.9 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.7 | -42.5 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | N2102 L2103 M2107 N2108 N2109 | N2102-T2105 PolarHBondContact O-N 2.88Å; N2102-T2105 PolarHBondContact O-OG1 3.44Å; L2103-T2105 VanDerWaalsContact C-N 3.33Å; L2103-T2105 PolarHBondContact O-N 3.03Å; T2105-M2107 PolarHBondContact O-N 3.49Å; T2105-N2108 PolarHBondContact O-N 3.06Å; T2105-N2109 PolarHBondContact O-N 3.03Å; T2105-N2109 VanDerWaalsContact O-N 3.1Å; T2105-N2109 PolarHBondContact O-OD1 3.36Å |
| 2106 | I | 70.9 | Confident | 68.2 | Low | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.205 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.8 | -49.5 | 173.3 | -65.2 | 164.9 | 0 | 0 | 0 | 110.5 | N2102 L2103 N2109 Y2110 L2148 | N2102-I2106 HydrophobicContact CB-CD1 4.26Å; N2102-I2106 WeakPolarHBondContact O-CG1 3.45Å; N2102-I2106 PolarHBondContact O-N 3.45Å; L2103-I2106 PolarHBondContact O-N 3.15Å; I2106-N2109 PolarHBondContact O-N 3.47Å; I2106-Y2110 HydrophobicContact CG2-CD2 4.44Å; I2106-Y2110 HydrophobicContact CG2-CE2 4.48Å; I2106-Y2110 WeakPolarHBondContact O-CD2 3.49Å; I2106-L2148 HydrophobicContact CG2-CD2 3.93Å |
| 2107 | M | 71.9 | Confident | 68.5 | Low | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.03 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 179.7 | -71 | -66.7 | -72.1 | 0 | 0 | 112.3 | I2090 L2103 T2105 N2109 Y2110 L2111 Y2126 L2148 | I2090-M2107 HydrophobicContact CD1-CE 3.45Å; I2090-M2107 VanDerWaalsContact CD1-CE 3.45Å; I2090-M2107 HydrophobicContact CD1-SD 4.36Å; L2103-M2107 VanDerWaalsContact O-CB 3.32Å; L2103-M2107 WeakPolarHBondContact O-CB 3.38Å; L2103-M2107 WeakPolarHBondContact O-CG 3.01Å; L2103-M2107 PolarHBondContact O-N 3.49Å; T2105-M2107 PolarHBondContact O-N 3.49Å; M2107-N2109 VanDerWaalsContact C-N 3.26Å; M2107-N2109 PolarHBondContact O-N 2.92Å; M2107-Y2110 PolarHBondContact O-N 3.47Å; M2107-L2111 HydrophobicContact CE-CD1 3.84Å; M2107-L2111 WeakPolarHBondContact O-CA 3.43Å; M2107-L2111 WeakPolarHBondContact O-CB 3.14Å; M2107-L2111 PolarHBondContact O-N 3.26Å; M2107-Y2126 HydrophobicContact CE-CD2 4.25Å; M2107-Y2126 HydrophobicContact CE-CE1 4.16Å; M2107-Y2126 HydrophobicContact CE-CE2 3.71Å; M2107-L2148 HydrophobicContact CE-CD1 4.37Å; M2107-L2148 HydrophobicContact SD-CD1 3.76Å; M2107-L2148 HydrophobicContact SD-CD2 4.02Å |
| 2108 | N | 73.2 | Confident | 69 | Low | 71 Ų | 71 | 72.1 Ų | 72.1 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -32.1 | 178.5 | -73 | 8.2 | 0 | 0 | 0 | 112.8 | H2104 T2105 P2112 | H2104-N2108 PolarHBondContact CE1-OD1 3.26Å; H2104-N2108 VanDerWaalsContact CE1-OD1 3.28Å; H2104-N2108 PolarHBondContact ND1-OD1 3Å; H2104-N2108 WeakPolarHBondContact O-CB 3.47Å; H2104-N2108 PolarHBondContact O-N 3.02Å; H2104-N2108 VanDerWaalsContact O-N 3.13Å; H2104-N2108 PolarHBondContact O-OD1 2.81Å; H2104-N2108 VanDerWaalsContact O-OD1 3.07Å; T2105-N2108 PolarHBondContact O-N 3.06Å; N2108-P2112 VanDerWaalsContact O-CA 3.28Å; N2108-P2112 WeakPolarHBondContact O-CA 3.43Å |
| 2109 | N | 73.5 | Confident | 69.3 | Low | 127 Ų | 127 | 69.6 Ų | 69.6 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67 | -40 | 179.5 | -70.4 | -6.6 | 0 | 0 | 0 | 112.8 | T2105 I2106 M2107 | T2105-N2109 PolarHBondContact O-N 3.03Å; T2105-N2109 VanDerWaalsContact O-N 3.1Å; T2105-N2109 PolarHBondContact O-OD1 3.36Å; I2106-N2109 PolarHBondContact O-N 3.47Å; M2107-N2109 VanDerWaalsContact C-N 3.26Å; M2107-N2109 PolarHBondContact O-N 2.92Å |
| 2110 | Y | 72.1 | Confident | 69.4 | Low | 77 Ų | 77 | 65.1 Ų | 65.1 | 30% | 0.302 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -94.2 | -21.5 | -178.6 | -66.4 | -74.4 | 0 | 0 | 0 | 113.8 | I2106 M2107 E2147 L2148 Y2151 | I2106-Y2110 HydrophobicContact CG2-CD2 4.44Å; I2106-Y2110 HydrophobicContact CG2-CE2 4.48Å; I2106-Y2110 WeakPolarHBondContact O-CD2 3.49Å; M2107-Y2110 PolarHBondContact O-N 3.47Å; Y2110-E2147 HydrophobicContact CD1-CB 3.64Å; Y2110-E2147 HydrophobicContact CD1-CG 4.32Å; Y2110-E2147 HydrophobicContact CE1-CB 3.72Å; Y2110-E2147 HydrophobicContact CE1-CG 4.34Å; Y2110-E2147 HydrophobicContact CG-CB 4.49Å; Y2110-L2148 HydrophobicContact CD2-CD2 3.58Å; Y2110-L2148 HydrophobicContact CD2-CG 4.09Å; Y2110-L2148 HydrophobicContact CE2-CD2 4.37Å; Y2110-L2148 HydrophobicContact CG-CD2 4.1Å; Y2110-L2148 HydrophobicContact CG-CG 4.1Å; Y2110-Y2151 HydrophobicContact CE2-CE2 4.01Å; Y2110-Y2151 PolarHBondContact OH-OH 3.1Å; Y2110-Y2151 VanDerWaalsContact OH-OH 3.07Å |
| 2111 | L | 71.5 | Confident | 69.6 | Low | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | trans | -139.7 | 59.1 | -171.1 | -67.2 | 179.2 | 0 | 0 | 0 | 111.8 | M2088 M2107 N2113 F2114 L2145 L2148 | M2088-L2111 HydrophobicContact CE-CD1 3.92Å; M2088-L2111 HydrophobicContact CE-CD2 4.44Å; M2088-L2111 HydrophobicContact SD-CD1 4.14Å; M2107-L2111 HydrophobicContact CE-CD1 3.84Å; M2107-L2111 WeakPolarHBondContact O-CA 3.43Å; M2107-L2111 WeakPolarHBondContact O-CB 3.14Å; M2107-L2111 PolarHBondContact O-N 3.26Å; L2111-N2113 VanDerWaalsContact C-N 3.27Å; L2111-N2113 PolarHBondContact O-N 3.09Å; L2111-F2114 HydrophobicContact CB-CB 4.21Å; L2111-F2114 HydrophobicContact CB-CD2 3.58Å; L2111-F2114 HydrophobicContact CB-CE2 4.26Å; L2111-F2114 HydrophobicContact CB-CG 4.13Å; L2111-F2114 HydrophobicContact CD1-CD2 4.36Å; L2111-F2114 HydrophobicContact CD2-CD2 3.96Å; L2111-F2114 HydrophobicContact CD2-CE2 3.73Å; L2111-F2114 HydrophobicContact CG-CD2 4.17Å; L2111-F2114 HydrophobicContact CG-CE2 4.41Å; L2111-F2114 WeakPolarHBondContact O-CB 3.47Å; L2111-F2114 PolarHBondContact O-N 2.87Å; L2111-L2145 HydrophobicContact CD1-CD2 4.35Å; L2111-L2148 HydrophobicContact CD1-CD1 3.46Å; L2111-L2148 VanDerWaalsContact CD1-CD1 3.46Å; L2111-L2148 HydrophobicContact CG-CD1 3.89Å | ||
| 2112 | P | 66.2 | Low | 69.7 | Low | 95 Ų | 95 | 62.1 Ų | 62.1 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.1 | -164.3 | 23.1 | -35.4 | 0 | 0 | 0 | 116.3 | N2108 | N2108-P2112 VanDerWaalsContact O-CA 3.28Å; N2108-P2112 WeakPolarHBondContact O-CA 3.43Å |
| 2113 | N | 68.6 | Low | 70 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 3.9 | 179.7 | -70.1 | -11.7 | 0 | 0 | 0 | 113.7 | L2111 Y2128 | L2111-N2113 VanDerWaalsContact C-N 3.27Å; L2111-N2113 PolarHBondContact O-N 3.09Å; N2113-Y2128 HydrophobicContact CB-CD2 4.02Å; N2113-Y2128 HydrophobicContact CB-CE2 3.54Å; N2113-Y2128 PolarHBondContact ND2-OH 3.15Å; N2113-Y2128 VanDerWaalsContact ND2-OH 3.13Å |
| 2114 | F | 70.5 | Confident | 70.4 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 116.6 | -176.5 | -82.7 | -94.5 | 0 | 0 | 0 | 112.4 | M2088 L2111 Y2126 Y2127 Y2128 L2141 | M2088-F2114 HydrophobicContact CB-CE1 4.07Å; M2088-F2114 HydrophobicContact CE-CD1 4.21Å; M2088-F2114 HydrophobicContact CE-CE1 3.5Å; M2088-F2114 HydrophobicContact CE-CE2 4.19Å; M2088-F2114 HydrophobicContact CE-CZ 3.49Å; M2088-F2114 VanDerWaalsContact CE-CZ 3.49Å; M2088-F2114 HydrophobicContact SD-CE1 4.33Å; L2111-F2114 HydrophobicContact CB-CB 4.21Å; L2111-F2114 HydrophobicContact CB-CD2 3.58Å; L2111-F2114 HydrophobicContact CB-CE2 4.26Å; L2111-F2114 HydrophobicContact CB-CG 4.13Å; L2111-F2114 HydrophobicContact CD1-CD2 4.36Å; L2111-F2114 HydrophobicContact CD2-CD2 3.96Å; L2111-F2114 HydrophobicContact CD2-CE2 3.73Å; L2111-F2114 HydrophobicContact CG-CD2 4.17Å; L2111-F2114 HydrophobicContact CG-CE2 4.41Å; L2111-F2114 WeakPolarHBondContact O-CB 3.47Å; L2111-F2114 PolarHBondContact O-N 2.87Å; F2114-Y2126 HydrophobicContact CB-CD1 4.28Å; F2114-Y2127 WeakPolarHBondContact CA-O 3.45Å; F2114-Y2128 AromaticContact CD2-CD2 3.84Å; F2114-Y2128 HydrophobicContact CD2-CD2 3.84Å; F2114-Y2128 HydrophobicContact CE1-CD2 4.44Å; F2114-Y2128 AromaticContact CE2-CD2 3.39Å; F2114-Y2128 HydrophobicContact CE2-CD2 3.39Å; F2114-Y2128 HydrophobicContact CE2-CE2 4.24Å; F2114-Y2128 HydrophobicContact CE2-CG 4.2Å; F2114-Y2128 AromaticContact CZ-CD2 3.72Å; F2114-Y2128 HydrophobicContact CZ-CD2 3.72Å; F2114-Y2128 HydrophobicContact CZ-CG 4.07Å; F2114-L2141 HydrophobicContact CE2-CG 4.44Å; F2114-L2141 HydrophobicContact CZ-CD1 3.74Å; F2114-L2141 HydrophobicContact CZ-CG 3.79Å |
| 2115 | Q | 74.7 | Confident | 70.9 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.2 | 177.9 | -68.5 | -178.8 | -22.1 | 0 | 0 | 110.2 | R2117 Y2126 Y2127 | Q2115-R2117 PolarHBondContact O-N 3.24Å; Q2115-Y2126 CarbonylContact O-C 3.57Å; Q2115-Y2126 VanDerWaalsContact O-CA 3.32Å; Q2115-Y2126 WeakPolarHBondContact O-CA 3.49Å; Q2115-Y2127 HydrophobicContact CB-CD1 4.35Å; Q2115-Y2127 HydrophobicContact CB-CD2 4.34Å; Q2115-Y2127 HydrophobicContact CB-CE1 3.82Å; Q2115-Y2127 HydrophobicContact CB-CE2 3.78Å; Q2115-Y2127 VanDerWaalsContact CB-CZ 3.5Å; Q2115-Y2127 HydrophobicContact CG-CE2 4.4Å; Q2115-Y2127 PolarHBondContact N-O 2.97Å; Q2115-Y2127 WeakPolarHBondContact O-CD1 3.3Å; Q2115-Y2127 PolarHBondContact O-N 3.19Å; Q2115-Y2127 VanDerWaalsContact OE1-CE2 3.27Å; Q2115-Y2127 VanDerWaalsContact OE1-CZ 3.25Å; Q2115-Y2127 PolarHBondContact OE1-OH 2.93Å |
| 2116 | L | 74.9 | Confident | 71.3 | Confident | 62 Ų | 62 | 51.3 Ų | 51.3 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 119.4 | 179.1 | 178.3 | 65.8 | 0 | 0 | 0 | 110.2 | Q2124 Y2126 | L2116-Q2124 HydrophobicContact CD1-CB 3.87Å; L2116-Q2124 HydrophobicContact CD1-CG 4.39Å; L2116-Y2126 HydrophobicContact CB-CD1 4.01Å; L2116-Y2126 HydrophobicContact CB-CE1 3.91Å; L2116-Y2126 HydrophobicContact CD1-CD1 4.22Å; L2116-Y2126 HydrophobicContact CD1-CD2 4.41Å; L2116-Y2126 HydrophobicContact CD1-CE1 3.94Å; L2116-Y2126 HydrophobicContact CD1-CE2 4.14Å; L2116-Y2126 HydrophobicContact CD1-CG 4.45Å; L2116-Y2126 HydrophobicContact CG-CE1 4.49Å |
| 2117 | R | 70.9 | Confident | 71.7 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -48.3 | 180 | -160.7 | -179 | 171.9 | 168.7 | 1.8 | 112.2 | Y2087 Q2115 E2125 Y2127 D2166 | Y2087-R2117 VanDerWaalsContact CZ-NH1 3.26Å; Q2115-R2117 PolarHBondContact O-N 3.24Å; R2117-E2125 WeakPolarHBondContact CA-O 3.5Å; R2117-E2125 HydrophobicContact CB-CB 4.41Å; R2117-E2125 HydrophobicContact CB-CG 4.37Å; R2117-E2125 VanDerWaalsContact CB-O 3.26Å; R2117-E2125 WeakPolarHBondContact CB-O 3.31Å; R2117-E2125 WeakPolarHBondContact CD-OE2 3.44Å; R2117-E2125 PolarHBondContact N-O 3.48Å; R2117-E2125 IonicContact NE-OE2 2.64Å; R2117-Y2127 HydrophobicContact CB-CD1 4.02Å; R2117-Y2127 HydrophobicContact CB-CE1 4.47Å; R2117-Y2127 HydrophobicContact CG-CD1 4.24Å; R2117-D2166 IonicContact NH1-OD1 3.44Å; R2117-D2166 IonicContact NH2-OD1 3.66Å |
| 2118 | Y | 69.7 | Low | 71.8 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 122.7 | -175 | -62.9 | -63.2 | 0 | 0 | 0 | 112 | D1057 K1060 E2125 | D1057-Y2118 WeakPolarHBondContact OD1-CE1 3.43Å; D1057-Y2118 PolarHBondContact OD1-OH 2.96Å; K1060-Y2118 HydrophobicContact CD-CD1 3.56Å; K1060-Y2118 HydrophobicContact CD-CE1 3.62Å; K1060-Y2118 HydrophobicContact CD-CG 4.17Å; K1060-Y2118 VanDerWaalsContact NZ-CE2 3.3Å; K1060-Y2118 VanDerWaalsContact NZ-CG 3.35Å; Y2118-E2125 WeakPolarHBondContact CD2-OE2 3.26Å; Y2118-E2125 PolarHBondContact N-O 3.09Å; Y2118-E2125 PolarHBondContact O-N 3.03Å |
| 2119 | P | 67.4 | Low | 71.5 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 108.2 | 167.8 | 32.3 | -30.4 | 0 | 0 | 0 | 111.6 | ||
| 2120 | L | 65 | Low | 71.1 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | trans | -96.9 | 169 | 163.2 | -51.5 | 169.8 | 0 | 0 | 0 | 109 | T2122 R2123 | L2120-T2122 PolarHBondContact O-N 3.02Å; L2120-R2123 CarbonylContact C-O 3.58Å; L2120-R2123 VanDerWaalsContact CA-O 3.26Å; L2120-R2123 WeakPolarHBondContact CA-O 3.46Å; L2120-R2123 HydrophobicContact CB-CB 4.25Å; L2120-R2123 WeakPolarHBondContact CB-O 3.44Å; L2120-R2123 HydrophobicContact CD1-CB 4.36Å; L2120-R2123 HydrophobicContact CD1-CG 4.3Å; L2120-R2123 PolarHBondContact N-O 3.4Å; L2120-R2123 VanDerWaalsContact O-O 3.13Å | ||
| 2121 | L | 63.6 | Low | 70.5 | Confident | 98 Ų | 98 | 48.7 Ų | 48.7 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -62.3 | -42.8 | -167.8 | -81 | 159.9 | 0 | 0 | 0 | 113.7 | D911 Q912 | D911-L2121 HydrophobicContact CB-CD1 4.43Å; Q912-L2121 HydrophobicContact CG-CD1 4.26Å |
| 2122 | T | 65.7 | Low | 69.7 | Low | 63 Ų | 63 | 54.8 Ų | 54.8 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -122.4 | 8.2 | 177.8 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | Q2091 F2092 L2120 | Q2091-T2122 CarbonylContact C-O 3.59Å; Q2091-T2122 WeakPolarHBondContact CA-O 3.23Å; Q2091-T2122 WeakPolarHBondContact CG-O 3.32Å; F2092-T2122 PolarHBondContact N-O 3.22Å; L2120-T2122 PolarHBondContact O-N 3.02Å |
| 2123 | R | 74 | Confident | 69.2 | Low | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137.2 | -175.8 | 173.7 | -179.1 | 169.1 | -163.5 | 7.7 | 110.6 | D1079 S1099 N2089 I2090 L2120 | D1079-R2123 VanDerWaalsContact O-CZ 3.24Å; D1079-R2123 PolarHBondContact O-NH1 2.85Å; D1079-R2123 PolarHBondContact O-NH2 2.97Å; D1079-R2123 IonicContact OD1-CZ 2.82Å; D1079-R2123 IonicContact OD1-NH1 2.71Å; D1079-R2123 IonicContact OD1-NH2 3.14Å; D1079-R2123 PolarHBondContact OD1-NH2 3.36Å; D1079-R2123 VanDerWaalsContact OD1-NH2 3.14Å; S1099-R2123 PolarHBondContact OG-NH1 3.28Å; N2089-R2123 VanDerWaalsContact CG-NH2 3.31Å; N2089-R2123 PolarHBondContact ND2-NH2 3.48Å; N2089-R2123 PolarHBondContact OD1-NE 2.6Å; N2089-R2123 PolarHBondContact OD1-NH2 2.99Å; I2090-R2123 CarbonylContact O-C 3.57Å; I2090-R2123 VanDerWaalsContact O-CA 3.28Å; I2090-R2123 WeakPolarHBondContact O-CA 3.24Å; L2120-R2123 CarbonylContact C-O 3.58Å; L2120-R2123 VanDerWaalsContact CA-O 3.26Å; L2120-R2123 WeakPolarHBondContact CA-O 3.46Å; L2120-R2123 HydrophobicContact CB-CB 4.25Å; L2120-R2123 WeakPolarHBondContact CB-O 3.44Å; L2120-R2123 HydrophobicContact CD1-CB 4.36Å; L2120-R2123 HydrophobicContact CD1-CG 4.3Å; L2120-R2123 PolarHBondContact N-O 3.4Å; L2120-R2123 VanDerWaalsContact O-O 3.13Å |
| 2124 | Q | 76.1 | Confident | 68.7 | Low | 35 Ų | 35 | 61.3 Ų | 61.3 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.1 | 175.7 | -61.1 | -170.5 | 20.3 | 0 | 0 | 109.9 | N2089 I2090 F2092 L2116 Y2126 | N2089-Q2124 WeakPolarHBondContact CA-O 3.38Å; I2090-Q2124 PolarHBondContact N-O 3.09Å; I2090-Q2124 PolarHBondContact O-N 3.48Å; F2092-Q2124 HydrophobicContact CD2-CB 4.46Å; F2092-Q2124 HydrophobicContact CD2-CG 4.04Å; F2092-Q2124 HydrophobicContact CE2-CB 3.95Å; F2092-Q2124 HydrophobicContact CE2-CG 3.82Å; L2116-Q2124 HydrophobicContact CD1-CB 3.87Å; L2116-Q2124 HydrophobicContact CD1-CG 4.39Å; Q2124-Y2126 HydrophobicContact CB-CD2 4.34Å; Q2124-Y2126 HydrophobicContact CB-CE2 3.72Å; Q2124-Y2126 PolarHBondContact OE1-OH 3.2Å; Q2124-Y2126 VanDerWaalsContact OE1-OH 3.13Å |
| 2125 | E | 77.6 | Confident | 68.1 | Low | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.028 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.9 | 171.6 | -173.4 | 175.4 | -146.9 | 0 | 0 | 108.9 | M2088 N2089 R2117 Y2118 R2160 | M2088-E2125 WeakPolarHBondContact O-CA 3.44Å; N2089-E2125 WeakPolarHBondContact OD1-CB 3.2Å; R2117-E2125 WeakPolarHBondContact CA-O 3.5Å; R2117-E2125 HydrophobicContact CB-CB 4.41Å; R2117-E2125 HydrophobicContact CB-CG 4.37Å; R2117-E2125 VanDerWaalsContact CB-O 3.26Å; R2117-E2125 WeakPolarHBondContact CB-O 3.31Å; R2117-E2125 WeakPolarHBondContact CD-OE2 3.44Å; R2117-E2125 PolarHBondContact N-O 3.48Å; R2117-E2125 IonicContact NE-OE2 2.64Å; Y2118-E2125 WeakPolarHBondContact CD2-OE2 3.26Å; Y2118-E2125 PolarHBondContact N-O 3.09Å; Y2118-E2125 PolarHBondContact O-N 3.03Å; E2125-R2160 IonicContact OE1-CZ 3.95Å; E2125-R2160 IonicContact OE1-NE 3.57Å; E2125-R2160 PolarHBondContact OE1-NE 3.45Å; E2125-R2160 IonicContact OE1-NH2 2.67Å; E2125-R2160 PolarHBondContact OE1-NH2 2.97Å |
| 2126 | Y | 79.4 | Confident | 67.6 | Low | 5 Ų | 5 | 66.7 Ų | 66.7 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 158.5 | 171.2 | -62.1 | -102.2 | 0 | 0 | 0 | 110.2 | Y2087 M2088 I2090 M2107 F2114 Q2115 L2116 Q2124 | Y2087-Y2126 WeakPolarHBondContact CA-O 3.44Å; M2088-Y2126 PolarHBondContact N-O 2.97Å; M2088-Y2126 PolarHBondContact O-N 2.96Å; I2090-Y2126 HydrophobicContact CD1-CD2 4.33Å; I2090-Y2126 HydrophobicContact CD1-CE2 4.17Å; M2107-Y2126 HydrophobicContact CE-CD2 4.25Å; M2107-Y2126 HydrophobicContact CE-CE1 4.16Å; M2107-Y2126 HydrophobicContact CE-CE2 3.71Å; F2114-Y2126 HydrophobicContact CB-CD1 4.28Å; Q2115-Y2126 CarbonylContact O-C 3.57Å; Q2115-Y2126 VanDerWaalsContact O-CA 3.32Å; Q2115-Y2126 WeakPolarHBondContact O-CA 3.49Å; L2116-Y2126 HydrophobicContact CB-CD1 4.01Å; L2116-Y2126 HydrophobicContact CB-CE1 3.91Å; L2116-Y2126 HydrophobicContact CD1-CD1 4.22Å; L2116-Y2126 HydrophobicContact CD1-CD2 4.41Å; L2116-Y2126 HydrophobicContact CD1-CE1 3.94Å; L2116-Y2126 HydrophobicContact CD1-CE2 4.14Å; L2116-Y2126 HydrophobicContact CD1-CG 4.45Å; L2116-Y2126 HydrophobicContact CG-CE1 4.49Å; Q2124-Y2126 HydrophobicContact CB-CD2 4.34Å; Q2124-Y2126 HydrophobicContact CB-CE2 3.72Å; Q2124-Y2126 PolarHBondContact OE1-OH 3.2Å; Q2124-Y2126 VanDerWaalsContact OE1-OH 3.13Å |
| 2127 | Y | 78.4 | Confident | 67.4 | Low | 59 Ų | 59 | 65.6 Ų | 65.6 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.7 | 168.5 | 64.6 | -93.6 | 0 | 0 | 0 | 112.5 | I2084 Y2087 F2114 Q2115 R2117 | I2084-Y2127 HydrophobicContact CG2-CD2 3.79Å; I2084-Y2127 HydrophobicContact CG2-CE2 4.44Å; I2084-Y2127 HydrophobicContact CG2-CG 4.48Å; Y2087-Y2127 VanDerWaalsContact CD1-CB 3.5Å; Y2087-Y2127 VanDerWaalsContact CE1-CB 3.47Å; Y2087-Y2127 HydrophobicContact CE1-CG 4.28Å; F2114-Y2127 WeakPolarHBondContact CA-O 3.45Å; Q2115-Y2127 HydrophobicContact CB-CD1 4.35Å; Q2115-Y2127 HydrophobicContact CB-CD2 4.34Å; Q2115-Y2127 HydrophobicContact CB-CE1 3.82Å; Q2115-Y2127 HydrophobicContact CB-CE2 3.78Å; Q2115-Y2127 VanDerWaalsContact CB-CZ 3.5Å; Q2115-Y2127 HydrophobicContact CG-CE2 4.4Å; Q2115-Y2127 PolarHBondContact N-O 2.97Å; Q2115-Y2127 WeakPolarHBondContact O-CD1 3.3Å; Q2115-Y2127 PolarHBondContact O-N 3.19Å; Q2115-Y2127 VanDerWaalsContact OE1-CE2 3.27Å; Q2115-Y2127 VanDerWaalsContact OE1-CZ 3.25Å; Q2115-Y2127 PolarHBondContact OE1-OH 2.93Å; R2117-Y2127 HydrophobicContact CB-CD1 4.02Å; R2117-Y2127 HydrophobicContact CB-CE1 4.47Å; R2117-Y2127 HydrophobicContact CG-CD1 4.24Å |
| 2128 | Y | 75.3 | Confident | 67.8 | Low | 13 Ų | 13 | 63.3 Ų | 63.3 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.3 | 169.5 | -172.9 | -92.7 | 0 | 0 | 0 | 109.5 | I2084 Y2086 N2113 F2114 N2130 Q2136 | I2084-Y2128 VanDerWaalsContact O-O 3.05Å; Y2086-Y2128 PolarHBondContact O-N 3.43Å; N2113-Y2128 HydrophobicContact CB-CD2 4.02Å; N2113-Y2128 HydrophobicContact CB-CE2 3.54Å; N2113-Y2128 PolarHBondContact ND2-OH 3.15Å; N2113-Y2128 VanDerWaalsContact ND2-OH 3.13Å; F2114-Y2128 AromaticContact CD2-CD2 3.84Å; F2114-Y2128 HydrophobicContact CD2-CD2 3.84Å; F2114-Y2128 HydrophobicContact CE1-CD2 4.44Å; F2114-Y2128 AromaticContact CE2-CD2 3.39Å; F2114-Y2128 HydrophobicContact CE2-CD2 3.39Å; F2114-Y2128 HydrophobicContact CE2-CE2 4.24Å; F2114-Y2128 HydrophobicContact CE2-CG 4.2Å; F2114-Y2128 AromaticContact CZ-CD2 3.72Å; F2114-Y2128 HydrophobicContact CZ-CD2 3.72Å; F2114-Y2128 HydrophobicContact CZ-CG 4.07Å; Y2128-N2130 HydrophobicContact CD1-CB 4.09Å; Y2128-N2130 HydrophobicContact CE1-CB 4.11Å; Y2128-N2130 WeakPolarHBondContact CE1-OD1 3.37Å; Y2128-Q2136 HydrophobicContact CE1-CB 4.49Å; Y2128-Q2136 WeakPolarHBondContact OH-CB 3.38Å; Y2128-Q2136 VanDerWaalsContact OH-CD 3.23Å; Y2128-Q2136 WeakPolarHBondContact OH-CG 3.46Å |
| 2129 | N | 67.3 | Low | 68.4 | Low | 54 Ų | 54 | 64.7 Ų | 64.7 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | trans | -86.6 | 114.6 | 177.2 | -176.4 | 9.9 | 0 | 0 | 0 | 111.2 | N2131 | N2129-N2131 PolarHBondContact ND2-ND2 3.46Å; N2129-N2131 VanDerWaalsContact OD1-CG 3.27Å; N2129-N2131 PolarHBondContact OD1-N 3.45Å; N2129-N2131 PolarHBondContact OD1-OD1 3.03Å | ||
| 2130 | N | 64.3 | Low | 69 | Low | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | trans | -108.1 | 35.1 | -171.4 | -145.2 | 21.6 | 0 | 0 | 0 | 112.8 | I2084 Y2128 K2135 | I2084-N2130 WeakPolarHBondContact O-CB 3.43Å; I2084-N2130 PolarHBondContact O-N 2.9Å; Y2128-N2130 HydrophobicContact CD1-CB 4.09Å; Y2128-N2130 HydrophobicContact CE1-CB 4.11Å; Y2128-N2130 WeakPolarHBondContact CE1-OD1 3.37Å; N2130-K2135 WeakPolarHBondContact OD1-CA 3.29Å | ||
| 2131 | N | 59 | Low | 69.6 | Low | 104 Ų | 104 | 64.7 Ų | 64.7 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | trans | -49.7 | 145.1 | 176.9 | -84.2 | -17.4 | 0 | 0 | 0 | 112.7 | N2129 H2133 N2134 | N2129-N2131 PolarHBondContact ND2-ND2 3.46Å; N2129-N2131 VanDerWaalsContact OD1-CG 3.27Å; N2129-N2131 PolarHBondContact OD1-N 3.45Å; N2129-N2131 PolarHBondContact OD1-OD1 3.03Å; N2131-H2133 PolarHBondContact O-N 3.05Å; N2131-N2134 PolarHBondContact O-N 3.02Å | ||
| 2132 | N | 56 | Low | 70.5 | Confident | 137 Ų | 137 | 60.2 Ų | 60.2 | 73% | 0.733 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -24.7 | -165.2 | -75.7 | -17.8 | 0 | 0 | 0 | 118.2 | ||
| 2133 | H | 55.8 | Low | 71.3 | Confident | 180 Ų | 180 | 61.3 Ų | 61.3 | 83% | 0.833 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -13.9 | -178.4 | -64.7 | -72.5 | 0 | 0 | 0 | 114.9 | N2131 | N2131-H2133 PolarHBondContact O-N 3.05Š|
| 2134 | N | 56.3 | Low | 71.5 | Confident | 117 Ų | 117 | 61 Ų | 61 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | trans | -137.2 | 50.7 | -173.4 | -87.4 | -35.5 | 0 | 0 | 0 | 112.8 | N2131 Q2136 | N2131-N2134 PolarHBondContact O-N 3.02Å; N2134-Q2136 PolarHBondContact O-N 3.42Å | ||
| 2135 | K | 58 | Low | 71.7 | Confident | 148 Ų | 148 | 59.5 Ų | 59.5 | 64% | 0.643 | 29% | 0.288 | S | S | * | . | trans | -62.1 | 108.8 | 169.7 | -75.2 | -173.6 | 177 | -177.7 | 0 | 110.1 | N2130 | N2130-K2135 WeakPolarHBondContact OD1-CA 3.29Š| ||
| 2136 | Q | 64.3 | Low | 71.9 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | trans | -93.5 | 138.6 | 168.8 | -71 | -170 | 14.1 | 0 | 0 | 110.4 | Y2128 N2134 | Y2128-Q2136 HydrophobicContact CE1-CB 4.49Å; Y2128-Q2136 WeakPolarHBondContact OH-CB 3.38Å; Y2128-Q2136 VanDerWaalsContact OH-CD 3.23Å; Y2128-Q2136 WeakPolarHBondContact OH-CG 3.46Å; N2134-Q2136 PolarHBondContact O-N 3.42Å | ||
| 2137 | P | 72 | Confident | 71.9 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 25% | 0.253 | 31% | 0.309 | S | S | . | . | trans | -67.5 | 148.7 | 177.3 | 28.7 | -35.7 | 0 | 0 | 0 | 111.5 | D1177 W2139 K2140 | D1177-P2137 HydrophobicContact CB-CB 3.79Å; D1177-P2137 VanDerWaalsContact CG-CB 3.42Å; D1177-P2137 WeakPolarHBondContact OD2-CA 3.27Å; D1177-P2137 WeakPolarHBondContact OD2-CB 3.43Å; P2137-W2139 VanDerWaalsContact C-N 3.26Å; P2137-W2139 HydrophobicContact CG-CZ2 4.31Å; P2137-W2139 VanDerWaalsContact CG-NE1 3.34Å; P2137-W2139 PolarHBondContact O-N 3.2Å; P2137-K2140 HydrophobicContact CG-CD 4.16Å; P2137-K2140 HydrophobicContact CG-CG 4.18Å; P2137-K2140 PolarHBondContact O-N 3.12Å | ||
| 2138 | L | 78.4 | Confident | 71.7 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -27.8 | -170.4 | 179 | 58.5 | 0 | 0 | 0 | 112.5 | F1173 D1177 Y1190 I1192 Y2086 K2140 L2141 F2142 | F1173-L2138 HydrophobicContact CB-CB 4.32Å; F1173-L2138 HydrophobicContact CB-CG 4.41Å; F1173-L2138 HydrophobicContact CD1-CD2 3.56Å; F1173-L2138 HydrophobicContact CD1-CG 4.22Å; F1173-L2138 HydrophobicContact CD2-CD2 4.05Å; F1173-L2138 HydrophobicContact CD2-CG 4.2Å; F1173-L2138 HydrophobicContact CE1-CD2 3.64Å; F1173-L2138 HydrophobicContact CE2-CD2 4.13Å; F1173-L2138 HydrophobicContact CG-CB 4.35Å; F1173-L2138 HydrophobicContact CG-CD2 3.81Å; F1173-L2138 HydrophobicContact CG-CG 4Å; F1173-L2138 HydrophobicContact CZ-CD2 3.95Å; D1177-L2138 PolarHBondContact OD2-N 3.39Å; Y1190-L2138 HydrophobicContact CE2-CD2 3.94Å; Y1190-L2138 WeakPolarHBondContact OH-CB 3.32Å; I1192-L2138 HydrophobicContact CB-CD2 4.35Å; I1192-L2138 HydrophobicContact CG2-CD2 3.77Å; Y2086-L2138 HydrophobicContact CD1-CD1 4.48Å; Y2086-L2138 HydrophobicContact CD2-CD1 4.18Å; Y2086-L2138 HydrophobicContact CE1-CD1 4.25Å; Y2086-L2138 HydrophobicContact CE1-CD2 4.47Å; Y2086-L2138 HydrophobicContact CE2-CD1 3.92Å; Y2086-L2138 HydrophobicContact CG-CD1 4.46Å; L2138-K2140 PolarHBondContact O-N 3.43Å; L2138-L2141 HydrophobicContact CD1-CB 4.3Å; L2138-L2141 HydrophobicContact CD1-CD1 4.05Å; L2138-L2141 WeakPolarHBondContact O-CB 3.43Å; L2138-L2141 PolarHBondContact O-N 3.47Å; L2138-L2141 VanDerWaalsContact O-N 3.14Å; L2138-F2142 HydrophobicContact CD1-CD2 4.23Å; L2138-F2142 HydrophobicContact CD1-CE2 3.94Å; L2138-F2142 HydrophobicContact CD2-CE2 4.23Å; L2138-F2142 HydrophobicContact CG-CD2 4.11Å; L2138-F2142 HydrophobicContact CG-CE2 3.91Å; L2138-F2142 PolarHBondContact O-N 3.31Å |
| 2139 | W | 82.9 | Confident | 71.8 | Confident | 66 Ų | 66 | 62 Ų | 62 | 25% | 0.25 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -30.2 | 176.3 | 67.6 | -100 | 0 | 0 | 0 | 113.7 | T1170 F1173 Q1174 D1177 P2137 L2141 F2142 H2143 | T1170-W2139 VanDerWaalsContact O-CB 3.31Å; T1170-W2139 WeakPolarHBondContact O-CB 3.44Å; F1173-W2139 HydrophobicContact CB-CB 4.03Å; Q1174-W2139 HydrophobicContact CB-CB 4.09Å; Q1174-W2139 HydrophobicContact CB-CG 3.98Å; Q1174-W2139 HydrophobicContact CG-CG 4.43Å; D1177-W2139 PolarHBondContact OD2-N 3.44Å; P2137-W2139 VanDerWaalsContact C-N 3.26Å; P2137-W2139 HydrophobicContact CG-CZ2 4.31Å; P2137-W2139 VanDerWaalsContact CG-NE1 3.34Å; P2137-W2139 PolarHBondContact O-N 3.2Å; W2139-L2141 VanDerWaalsContact C-N 3.3Å; W2139-L2141 PolarHBondContact O-N 3.26Å; W2139-F2142 PolarHBondContact O-N 3.41Å; W2139-H2143 WeakPolarHBondContact O-CB 3.41Å; W2139-H2143 PolarHBondContact O-N 3.48Å |
| 2140 | K | 79.5 | Confident | 72.1 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 177.3 | -72.9 | -173.9 | 179.9 | -174.8 | 0 | 112.4 | P2137 L2138 H2143 G2144 | P2137-K2140 HydrophobicContact CG-CD 4.16Å; P2137-K2140 HydrophobicContact CG-CG 4.18Å; P2137-K2140 PolarHBondContact O-N 3.12Å; L2138-K2140 PolarHBondContact O-N 3.43Å; K2140-H2143 PolarHBondContact O-N 2.91Å; K2140-G2144 PolarHBondContact O-N 3.2Å |
| 2141 | L | 77.9 | Confident | 72.5 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -49.8 | 176.5 | -173.6 | 167 | 0 | 0 | 0 | 110.3 | Y2086 M2088 F2114 L2138 W2139 H2143 G2144 L2145 I2159 | Y2086-L2141 HydrophobicContact CD2-CD1 4.49Å; Y2086-L2141 HydrophobicContact CG-CD1 4.41Å; M2088-L2141 HydrophobicContact CE-CD2 3.67Å; M2088-L2141 HydrophobicContact CE-CG 3.94Å; F2114-L2141 HydrophobicContact CE2-CG 4.44Å; F2114-L2141 HydrophobicContact CZ-CD1 3.74Å; F2114-L2141 HydrophobicContact CZ-CG 3.79Å; L2138-L2141 HydrophobicContact CD1-CB 4.3Å; L2138-L2141 HydrophobicContact CD1-CD1 4.05Å; L2138-L2141 WeakPolarHBondContact O-CB 3.43Å; L2138-L2141 PolarHBondContact O-N 3.47Å; L2138-L2141 VanDerWaalsContact O-N 3.14Å; W2139-L2141 VanDerWaalsContact C-N 3.3Å; W2139-L2141 PolarHBondContact O-N 3.26Å; L2141-H2143 VanDerWaalsContact C-N 3.28Å; L2141-H2143 PolarHBondContact O-N 3.28Å; L2141-G2144 PolarHBondContact O-N 3.17Å; L2141-L2145 HydrophobicContact CD2-CD1 3.77Å; L2141-L2145 HydrophobicContact CD2-CG 4.36Å; L2141-L2145 PolarHBondContact O-N 3.29Å; L2141-L2145 VanDerWaalsContact O-N 3.09Å; L2141-I2159 HydrophobicContact CD2-CD1 3.42Å; L2141-I2159 VanDerWaalsContact CD2-CD1 3.42Å; L2141-I2159 HydrophobicContact CD2-CG1 3.89Å |
| 2142 | F | 81.8 | Confident | 73.1 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -32 | 175.8 | -76.6 | -77.3 | 0 | 0 | 0 | 112.6 | A1164 F1169 T1170 F1173 I1192 L2138 W2139 L2145 N2146 I2159 | A1164-F2142 HydrophobicContact CB-CE1 4.29Å; F1169-F2142 HydrophobicContact CB-CD1 3.97Å; F1169-F2142 HydrophobicContact CB-CE1 4.18Å; F1169-F2142 HydrophobicContact CB-CG 4.16Å; F1169-F2142 HydrophobicContact CD2-CD1 4.21Å; F1169-F2142 AromaticContact CD2-CE1 3.57Å; F1169-F2142 HydrophobicContact CD2-CE1 3.57Å; F1169-F2142 HydrophobicContact CD2-CE2 4.5Å; F1169-F2142 AromaticContact CD2-CZ 3.74Å; F1169-F2142 HydrophobicContact CD2-CZ 3.74Å; F1169-F2142 HydrophobicContact CE2-CE1 4.44Å; F1169-F2142 HydrophobicContact CG-CE1 4.37Å; T1170-F2142 HydrophobicContact CG2-CB 3.67Å; F1173-F2142 AromaticContact CD2-CD2 3.68Å; F1173-F2142 HydrophobicContact CD2-CD2 3.68Å; F1173-F2142 AromaticContact CD2-CE2 3.55Å; F1173-F2142 HydrophobicContact CD2-CE2 3.55Å; F1173-F2142 HydrophobicContact CD2-CZ 4.46Å; F1173-F2142 HydrophobicContact CE2-CD2 4.1Å; F1173-F2142 AromaticContact CE2-CE2 3.5Å; F1173-F2142 HydrophobicContact CE2-CE2 3.5Å; F1173-F2142 VanDerWaalsContact CE2-CE2 3.5Å; F1173-F2142 HydrophobicContact CE2-CZ 4.05Å; I1192-F2142 HydrophobicContact CD1-CE2 4.27Å; I1192-F2142 HydrophobicContact CD1-CZ 3.82Å; L2138-F2142 HydrophobicContact CD1-CD2 4.23Å; L2138-F2142 HydrophobicContact CD1-CE2 3.94Å; L2138-F2142 HydrophobicContact CD2-CE2 4.23Å; L2138-F2142 HydrophobicContact CG-CD2 4.11Å; L2138-F2142 HydrophobicContact CG-CE2 3.91Å; L2138-F2142 PolarHBondContact O-N 3.31Å; W2139-F2142 PolarHBondContact O-N 3.41Å; F2142-L2145 PolarHBondContact O-N 3.28Å; F2142-N2146 WeakPolarHBondContact O-CB 3.41Å; F2142-N2146 PolarHBondContact O-N 3.18Å; F2142-I2159 HydrophobicContact CD1-CD1 3.93Å; F2142-I2159 HydrophobicContact CE1-CD1 3.26Å; F2142-I2159 HydrophobicContact CE2-CD1 4.02Å; F2142-I2159 HydrophobicContact CZ-CD1 3.32Å |
| 2143 | H | 83 | Confident | 74 | Confident | 85 Ų | 85 | 66 Ų | 66 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 174 | -170.9 | -48.1 | 0 | 0 | 0 | 111.9 | T1170 W2139 K2140 L2141 L2145 N2146 E2147 | T1170-H2143 HydrophobicContact CG2-CB 4.19Å; W2139-H2143 WeakPolarHBondContact O-CB 3.41Å; W2139-H2143 PolarHBondContact O-N 3.48Å; K2140-H2143 PolarHBondContact O-N 2.91Å; L2141-H2143 VanDerWaalsContact C-N 3.28Å; L2141-H2143 PolarHBondContact O-N 3.28Å; H2143-L2145 PolarHBondContact O-N 3.29Å; H2143-N2146 WeakPolarHBondContact O-CB 3.35Å; H2143-N2146 PolarHBondContact O-N 2.84Å; H2143-E2147 IonicContact CE1-OE1 3.6Å; H2143-E2147 PolarHBondContact O-N 2.9Å; H2143-E2147 VanDerWaalsContact O-N 3.11Å |
| 2144 | G | 79 | Confident | 74.9 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -34 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K2140 L2141 L2148 | K2140-G2144 PolarHBondContact O-N 3.2Å; L2141-G2144 PolarHBondContact O-N 3.17Å; G2144-L2148 WeakPolarHBondContact O-CG 3.39Å; G2144-L2148 PolarHBondContact O-N 2.97Å; G2144-L2148 VanDerWaalsContact O-N 3.08Å |
| 2145 | L | 79.1 | Confident | 75.7 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 173.3 | -75.8 | -179.1 | 0 | 0 | 0 | 114.1 | M2088 L2111 L2141 F2142 H2143 E2147 L2148 N2149 I2157 I2159 | M2088-L2145 HydrophobicContact CE-CD1 3.88Å; M2088-L2145 HydrophobicContact CE-CD2 3.81Å; M2088-L2145 HydrophobicContact CE-CG 3.85Å; M2088-L2145 HydrophobicContact SD-CD1 4.36Å; M2088-L2145 HydrophobicContact SD-CD2 3.7Å; M2088-L2145 HydrophobicContact SD-CG 4.35Å; L2111-L2145 HydrophobicContact CD1-CD2 4.35Å; L2141-L2145 HydrophobicContact CD2-CD1 3.77Å; L2141-L2145 HydrophobicContact CD2-CG 4.36Å; L2141-L2145 PolarHBondContact O-N 3.29Å; L2141-L2145 VanDerWaalsContact O-N 3.09Å; F2142-L2145 PolarHBondContact O-N 3.28Å; H2143-L2145 PolarHBondContact O-N 3.29Å; L2145-E2147 VanDerWaalsContact C-N 3.33Å; L2145-L2148 HydrophobicContact CD2-CD1 4.32Å; L2145-L2148 PolarHBondContact O-N 3.25Å; L2145-N2149 VanDerWaalsContact O-CB 3.32Å; L2145-N2149 WeakPolarHBondContact O-CB 3.4Å; L2145-N2149 PolarHBondContact O-N 3.24Å; L2145-I2157 HydrophobicContact CB-CD1 4.25Å; L2145-I2157 HydrophobicContact CD1-CD1 3.72Å; L2145-I2157 HydrophobicContact CD1-CG2 4Å; L2145-I2157 HydrophobicContact CD2-CD1 3.57Å; L2145-I2157 HydrophobicContact CG-CD1 4.05Å; L2145-I2159 HydrophobicContact CD1-CD1 3.75Å; L2145-I2159 HydrophobicContact CD1-CG1 4.32Å |
| 2146 | N | 81.4 | Confident | 76.5 | Confident | 48 Ų | 48 | 50 Ų | 50 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -46 | 173.7 | -173 | 6.4 | 0 | 0 | 0 | 110.3 | F2142 H2143 L2148 N2149 K2150 | F2142-N2146 WeakPolarHBondContact O-CB 3.41Å; F2142-N2146 PolarHBondContact O-N 3.18Å; H2143-N2146 WeakPolarHBondContact O-CB 3.35Å; H2143-N2146 PolarHBondContact O-N 2.84Å; N2146-L2148 PolarHBondContact O-N 3.44Å; N2146-N2149 PolarHBondContact O-N 2.9Å; N2146-K2150 PolarHBondContact O-N 3.48Å |
| 2147 | E | 79.9 | Confident | 77.3 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 23% | 0.229 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 174.4 | -64.4 | -53.5 | 136.2 | 0 | 0 | 113 | Y2110 H2143 L2145 N2149 K2150 | Y2110-E2147 HydrophobicContact CD1-CB 3.64Å; Y2110-E2147 HydrophobicContact CD1-CG 4.32Å; Y2110-E2147 HydrophobicContact CE1-CB 3.72Å; Y2110-E2147 HydrophobicContact CE1-CG 4.34Å; Y2110-E2147 HydrophobicContact CG-CB 4.49Å; H2143-E2147 IonicContact CE1-OE1 3.6Å; H2143-E2147 PolarHBondContact O-N 2.9Å; H2143-E2147 VanDerWaalsContact O-N 3.11Å; L2145-E2147 VanDerWaalsContact C-N 3.33Å; E2147-N2149 VanDerWaalsContact C-N 3.32Å; E2147-N2149 PolarHBondContact O-N 2.94Å; E2147-K2150 PolarHBondContact O-N 3.1Å; E2147-K2150 IonicContact OE1-NZ 2.68Å; E2147-K2150 PolarHBondContact OE1-NZ 3.25Å; E2147-K2150 WeakPolarHBondContact OE2-CE 3.46Å; E2147-K2150 IonicContact OE2-NZ 2.69Å; E2147-K2150 PolarHBondContact OE2-NZ 2.03Å |
| 2148 | L | 75.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -33.8 | 176.3 | -75.8 | 165.8 | 0 | 0 | 0 | 113 | I2106 M2107 Y2110 L2111 G2144 L2145 N2146 K2150 Y2151 I2154 | I2106-L2148 HydrophobicContact CG2-CD2 3.93Å; M2107-L2148 HydrophobicContact CE-CD1 4.37Å; M2107-L2148 HydrophobicContact SD-CD1 3.76Å; M2107-L2148 HydrophobicContact SD-CD2 4.02Å; Y2110-L2148 HydrophobicContact CD2-CD2 3.58Å; Y2110-L2148 HydrophobicContact CD2-CG 4.09Å; Y2110-L2148 HydrophobicContact CE2-CD2 4.37Å; Y2110-L2148 HydrophobicContact CG-CD2 4.1Å; Y2110-L2148 HydrophobicContact CG-CG 4.1Å; L2111-L2148 HydrophobicContact CD1-CD1 3.46Å; L2111-L2148 VanDerWaalsContact CD1-CD1 3.46Å; L2111-L2148 HydrophobicContact CG-CD1 3.89Å; G2144-L2148 WeakPolarHBondContact O-CG 3.39Å; G2144-L2148 PolarHBondContact O-N 2.97Å; G2144-L2148 VanDerWaalsContact O-N 3.08Å; L2145-L2148 HydrophobicContact CD2-CD1 4.32Å; L2145-L2148 PolarHBondContact O-N 3.25Å; N2146-L2148 PolarHBondContact O-N 3.44Å; L2148-K2150 VanDerWaalsContact C-N 3.31Å; L2148-K2150 PolarHBondContact O-N 3.03Å; L2148-Y2151 PolarHBondContact O-N 2.85Å; L2148-I2154 HydrophobicContact CB-CD1 4.15Å |
| 2149 | N | 76 | Confident | 77.8 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.4 | -27.2 | -178.9 | -166.9 | 56.1 | 0 | 0 | 0 | 112.9 | L1165 L2145 N2146 E2147 Y2151 N2152 | L1165-N2149 HydrophobicContact CD2-CB 4.14Å; L2145-N2149 VanDerWaalsContact O-CB 3.32Å; L2145-N2149 WeakPolarHBondContact O-CB 3.4Å; L2145-N2149 PolarHBondContact O-N 3.24Å; N2146-N2149 PolarHBondContact O-N 2.9Å; E2147-N2149 VanDerWaalsContact C-N 3.32Å; E2147-N2149 PolarHBondContact O-N 2.94Å; N2149-Y2151 PolarHBondContact O-N 3.36Å; N2149-N2152 PolarHBondContact O-N 3.2Å |
| 2150 | K | 75.1 | Confident | 77.6 | Confident | 128 Ų | 128 | 43.5 Ų | 43.5 | 56% | 0.557 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -18.3 | 175.5 | -65.6 | 173.4 | -168.7 | 174.4 | 0 | 113.8 | N2146 E2147 L2148 | N2146-K2150 PolarHBondContact O-N 3.48Å; E2147-K2150 PolarHBondContact O-N 3.1Å; E2147-K2150 IonicContact OE1-NZ 2.68Å; E2147-K2150 PolarHBondContact OE1-NZ 3.25Å; E2147-K2150 WeakPolarHBondContact OE2-CE 3.46Å; E2147-K2150 IonicContact OE2-NZ 2.69Å; E2147-K2150 PolarHBondContact OE2-NZ 2.03Å; L2148-K2150 VanDerWaalsContact C-N 3.31Å; L2148-K2150 PolarHBondContact O-N 3.03Å |
| 2151 | Y | 71.8 | Confident | 77.7 | Confident | 131 Ų | 131 | 40.4 Ų | 40.4 | 51% | 0.514 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.5 | 175.9 | -66.5 | -81.6 | 0 | 0 | 0 | 114.5 | Y2110 L2148 N2149 I2153 | Y2110-Y2151 HydrophobicContact CE2-CE2 4.01Å; Y2110-Y2151 PolarHBondContact OH-OH 3.1Å; Y2110-Y2151 VanDerWaalsContact OH-OH 3.07Å; L2148-Y2151 PolarHBondContact O-N 2.85Å; N2149-Y2151 PolarHBondContact O-N 3.36Å; Y2151-I2153 HydrophobicContact CG-CD1 4.25Å; Y2151-I2153 PolarHBondContact O-N 3.45Å; Y2151-I2153 VanDerWaalsContact O-N 3.14Å |
| 2152 | N | 71.4 | Confident | 77.7 | Confident | 132 Ų | 132 | 39.8 Ų | 39.8 | 71% | 0.706 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 26.8 | -174.9 | -66.9 | -20.5 | 0 | 0 | 0 | 114.5 | N2149 | N2149-N2152 PolarHBondContact O-N 3.2Š|
| 2153 | I | 75.2 | Confident | 77.7 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -79.9 | -22.6 | -178.8 | -71.7 | 173.9 | 0 | 0 | 0 | 112.1 | F2092 N2093 I2096 Y2151 | F2092-I2153 HydrophobicContact CD1-CG2 3.82Å; F2092-I2153 HydrophobicContact CE1-CG2 3.93Å; N2093-I2153 PolarHBondContact N-O 3.4Å; N2093-I2153 VanDerWaalsContact N-O 3.13Å; I2096-I2153 HydrophobicContact CD1-CG2 3.36Å; I2096-I2153 HydrophobicContact CG1-CG2 4.04Å; Y2151-I2153 HydrophobicContact CG-CD1 4.25Å; Y2151-I2153 PolarHBondContact O-N 3.45Å; Y2151-I2153 VanDerWaalsContact O-N 3.14Å | ||
| 2154 | I | 73.6 | Confident | 77.6 | Confident | 15 Ų | 15 | 37.2 Ų | 37.2 | 8% | 0.077 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.7 | -166.2 | -61.4 | 178.9 | 0 | 0 | 0 | 110.3 | I2090 F2092 L2148 I2157 | I2090-I2154 HydrophobicContact CG2-CB 4.29Å; I2090-I2154 HydrophobicContact CG2-CD1 3.99Å; I2090-I2154 HydrophobicContact CG2-CG1 3.76Å; I2090-I2154 HydrophobicContact CG2-CG2 3.81Å; F2092-I2154 HydrophobicContact CD1-CG1 4.35Å; F2092-I2154 HydrophobicContact CE1-CG1 4.22Å; L2148-I2154 HydrophobicContact CB-CD1 4.15Å; I2154-I2157 HydrophobicContact CD1-CD1 4.09Å; I2154-I2157 HydrophobicContact CG2-CD1 4Å; I2154-I2157 HydrophobicContact CG2-CG1 3.54Å |
| 2155 | D | 74 | Confident | 77.6 | Confident | 76 Ų | 76 | 37.3 Ų | 37.3 | 41% | 0.406 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -39 | 173.4 | -71.8 | -10.8 | 0 | 0 | 0 | 111.5 | Q2091 N2093 | Q2091-D2155 HydrophobicContact CB-CB 4.3Å; Q2091-D2155 HydrophobicContact CG-CB 4.13Å; Q2091-D2155 PolarHBondContact NE2-OD2 3.16Å; Q2091-D2155 PolarHBondContact O-N 2.92Å; N2093-D2155 VanDerWaalsContact CA-OD1 3.27Å; N2093-D2155 WeakPolarHBondContact CA-OD1 3.4Å; N2093-D2155 VanDerWaalsContact CB-OD1 3.32Å; N2093-D2155 WeakPolarHBondContact CB-OD1 3.49Å |
| 2156 | S | 75.4 | Confident | 77.7 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 12% | 0.119 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 158.1 | -175 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | L1100 Q2091 | L1100-S2156 WeakPolarHBondContact CD2-O 3.11Å; L1100-S2156 WeakPolarHBondContact CD2-OG 3.11Å; L1100-S2156 WeakPolarHBondContact CG-OG 3.28Å; Q2091-S2156 PolarHBondContact N-O 3.39Å |
| 2157 | I | 80.6 | Confident | 77.7 | Confident | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 139.6 | -179 | -53.7 | -173.4 | 0 | 0 | 0 | 110.7 | Y1110 L1165 M2088 N2089 L2145 I2154 I2159 | Y1110-I2157 PolarHBondContact OH-O 3.42Å; L1165-I2157 HydrophobicContact CD2-CD1 3.55Å; L1165-I2157 HydrophobicContact CD2-CG1 4.09Å; M2088-I2157 HydrophobicContact CG-CG2 4.26Å; N2089-I2157 WeakPolarHBondContact O-CA 3.35Å; L2145-I2157 HydrophobicContact CB-CD1 4.25Å; L2145-I2157 HydrophobicContact CD1-CD1 3.72Å; L2145-I2157 HydrophobicContact CD1-CG2 4Å; L2145-I2157 HydrophobicContact CD2-CD1 3.57Å; L2145-I2157 HydrophobicContact CG-CD1 4.05Å; I2154-I2157 HydrophobicContact CD1-CD1 4.09Å; I2154-I2157 HydrophobicContact CG2-CD1 4Å; I2154-I2157 HydrophobicContact CG2-CG1 3.54Å; I2157-I2159 HydrophobicContact CG2-CG1 4.18Å |
| 2158 | S | 80.4 | Confident | 77.9 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119.7 | 157.8 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | Y1110 N2089 | Y1110-S2158 WeakPolarHBondContact OH-CA 3.46Å; N2089-S2158 WeakPolarHBondContact CB-OG 3.03Å; N2089-S2158 PolarHBondContact N-O 2.97Å; N2089-S2158 PolarHBondContact ND2-OG 3.43Å; N2089-S2158 PolarHBondContact O-N 2.9Å |
| 2159 | I | 81.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 143.5 | 163.7 | -62.4 | 149.6 | 0 | 0 | 0 | 108.9 | Y1110 I1192 Y2086 Y2087 M2088 L2141 F2142 L2145 I2157 | Y1110-I2159 HydrophobicContact CE1-CB 4.34Å; Y1110-I2159 PolarHBondContact OH-N 2.94Å; I1192-I2159 HydrophobicContact CG2-CG2 4.49Å; Y2086-I2159 HydrophobicContact CD1-CG2 4.32Å; Y2087-I2159 WeakPolarHBondContact O-CA 3Å; M2088-I2159 HydrophobicContact CG-CG1 4.37Å; L2141-I2159 HydrophobicContact CD2-CD1 3.42Å; L2141-I2159 VanDerWaalsContact CD2-CD1 3.42Å; L2141-I2159 HydrophobicContact CD2-CG1 3.89Å; F2142-I2159 HydrophobicContact CD1-CD1 3.93Å; F2142-I2159 HydrophobicContact CE1-CD1 3.26Å; F2142-I2159 HydrophobicContact CE2-CD1 4.02Å; F2142-I2159 HydrophobicContact CZ-CD1 3.32Å; L2145-I2159 HydrophobicContact CD1-CD1 3.75Å; L2145-I2159 HydrophobicContact CD1-CG1 4.32Å; I2157-I2159 HydrophobicContact CG2-CG1 4.18Å |
| 2160 | R | 78.5 | Confident | 78.3 | Confident | 28 Ų | 28 | 32.1 Ų | 32.1 | 11% | 0.106 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 145.3 | 173 | 66.2 | -168.9 | -171.7 | 98.3 | -8 | 109.6 | Y1076 Y2086 Y2087 E2125 D2166 | Y1076-R2160 PolarHBondContact OH-NH1 3.32Å; Y1076-R2160 PolarHBondContact OH-NH2 3.32Å; Y2086-R2160 WeakPolarHBondContact CA-O 3.28Å; Y2087-R2160 PolarHBondContact N-O 2.71Å; Y2087-R2160 PolarHBondContact O-N 2.96Å; E2125-R2160 IonicContact OE1-CZ 3.95Å; E2125-R2160 IonicContact OE1-NE 3.57Å; E2125-R2160 PolarHBondContact OE1-NE 3.45Å; E2125-R2160 IonicContact OE1-NH2 2.67Å; E2125-R2160 PolarHBondContact OE1-NH2 2.97Å; R2160-D2166 IonicContact NH1-OD2 3.72Å |
| 2161 | H | 80.2 | Confident | 78.6 | Confident | 27 Ų | 27 | 26.8 Ų | 26.8 | 13% | 0.125 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 169.2 | 169.4 | -163.4 | 61.3 | 0 | 0 | 0 | 111.4 | E1191 G2085 Y2086 T2163 | E1191-H2161 HydrophobicContact CG-CB 3.86Å; E1191-H2161 WeakPolarHBondContact OE1-CB 3.38Å; E1191-H2161 IonicContact OE1-CD2 3.36Å; E1191-H2161 IonicContact OE1-CG 3.43Å; G2085-H2161 PolarHBondContact O-ND1 3.08Å; Y2086-H2161 HydrophobicContact CD1-CB 3.99Å; Y2086-H2161 AromaticContact CD1-ND1 3.5Å; Y2086-H2161 HydrophobicContact CE1-CB 3.88Å; Y2086-H2161 AromaticContact CE1-CG 3.86Å; Y2086-H2161 AromaticContact CE1-ND1 3.19Å; Y2086-H2161 WeakPolarHBondContact CE1-ND1 3.5Å; Y2086-H2161 AromaticContact CZ-ND1 3.59Å; H2161-T2163 PolarHBondContact O-N 2.86Å |
| 2162 | S | 79.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 125.9 | 176.4 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | G2083 G2085 | G2083-S2162 WeakPolarHBondContact CA-OG 3.43Å; G2085-S2162 WeakPolarHBondContact O-CB 3.39Å; G2085-S2162 PolarHBondContact O-N 3.44Å; G2085-S2162 PolarHBondContact O-OG 3.4Å |
| 2163 | T | 80.7 | Confident | 79.4 | Confident | 33 Ų | 33 | 19.7 Ų | 19.7 | 20% | 0.202 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 159.2 | -179.8 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | Y1076 H2161 E2165 D2166 V2167 | Y1076-T2163 HydrophobicContact CE2-CG2 4.34Å; H2161-T2163 PolarHBondContact O-N 2.86Å; T2163-E2165 PolarHBondContact O-N 3.35Å; T2163-E2165 VanDerWaalsContact O-N 3.11Å; T2163-E2165 PolarHBondContact OG1-N 3.2Å; T2163-D2166 PolarHBondContact N-OD2 3.03Å; T2163-D2166 WeakPolarHBondContact O-CB 3.45Å; T2163-D2166 PolarHBondContact O-N 3.18Å; T2163-D2166 PolarHBondContact OG1-N 3.34Å; T2163-D2166 VanDerWaalsContact OG1-N 3.1Å; T2163-D2166 PolarHBondContact OG1-OD2 3.23Å; T2163-V2167 WeakPolarHBondContact O-CG2 3.48Å; T2163-V2167 PolarHBondContact O-N 3.4Å |
| 2164 | L | 81.2 | Confident | 79.6 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -18.3 | 170.1 | -162 | 111.2 | 0 | 0 | 0 | 112.6 | L1892 M2051 E2055 I2061 P2075 L2078 F2168 | L1892-L2164 HydrophobicContact CD1-CD2 3.55Å; M2051-L2164 HydrophobicContact CB-CB 4.24Å; M2051-L2164 HydrophobicContact CB-CD2 4.11Å; M2051-L2164 HydrophobicContact CG-CD2 4.5Å; M2051-L2164 HydrophobicContact SD-CD2 4.05Å; E2055-L2164 WeakPolarHBondContact OE2-CB 3.48Å; E2055-L2164 PolarHBondContact OE2-N 3.35Å; I2061-L2164 HydrophobicContact CD1-CD1 3.97Å; I2061-L2164 HydrophobicContact CD1-CD2 3.74Å; P2075-L2164 HydrophobicContact CB-CD1 4.17Å; L2078-L2164 HydrophobicContact CB-CD1 4.21Å; L2078-L2164 HydrophobicContact CD1-CD1 4.46Å; L2164-F2168 VanDerWaalsContact O-CB 3.28Å; L2164-F2168 WeakPolarHBondContact O-CB 3.42Å; L2164-F2168 PolarHBondContact O-N 2.93Å |
| 2165 | E | 80 | Confident | 79.7 | Confident | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.2 | -36.3 | 169.5 | -152.1 | -155.9 | 72.7 | 0 | 0 | 113.1 | P1049 R1052 R1053 M2051 T2163 V2169 | P1049-E2165 HydrophobicContact CB-CG 3.47Å; P1049-E2165 VanDerWaalsContact CB-CG 3.47Å; P1049-E2165 HydrophobicContact CG-CG 3.83Å; R1052-E2165 IonicContact CZ-OE2 3.04Å; R1052-E2165 IonicContact NH1-OE2 3.8Å; R1052-E2165 PolarHBondContact NH1-OE2 3.05Å; R1053-E2165 IonicContact CZ-OE1 3.74Å; R1053-E2165 IonicContact NE-OE1 3.99Å; R1053-E2165 PolarHBondContact NE-OE1 3.25Å; R1053-E2165 IonicContact NH2-OE1 3.56Å; R1053-E2165 PolarHBondContact NH2-OE1 2.92Å; M2051-E2165 HydrophobicContact CB-CB 4.1Å; M2051-E2165 HydrophobicContact CG-CB 3.88Å; M2051-E2165 HydrophobicContact CG-CG 3.91Å; T2163-E2165 PolarHBondContact O-N 3.35Å; T2163-E2165 VanDerWaalsContact O-N 3.11Å; T2163-E2165 PolarHBondContact OG1-N 3.2Å; E2165-V2169 WeakPolarHBondContact O-CG2 3.21Å; E2165-V2169 PolarHBondContact O-N 2.75Å |
| 2166 | D | 80.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.8 | -48.4 | 172.9 | -63.9 | -63.5 | 0 | 0 | 0 | 110.4 | R1053 Y1076 Y2087 R2117 R2160 T2163 F2168 V2169 N2170 | R1053-D2166 IonicContact CZ-OD1 2.76Å; R1053-D2166 IonicContact NH1-OD1 2.74Å; R1053-D2166 PolarHBondContact NH1-OD1 2.84Å; R1053-D2166 IonicContact NH2-OD1 2.74Å; R1053-D2166 PolarHBondContact NH2-OD1 3.41Å; R1053-D2166 IonicContact NH2-OD2 2.7Å; Y1076-D2166 PolarHBondContact OH-OD2 3.13Å; Y2087-D2166 HydrophobicContact CE2-CB 4.17Å; R2117-D2166 IonicContact NH1-OD1 3.44Å; R2117-D2166 IonicContact NH2-OD1 3.66Å; R2160-D2166 IonicContact NH1-OD2 3.72Å; T2163-D2166 PolarHBondContact N-OD2 3.03Å; T2163-D2166 WeakPolarHBondContact O-CB 3.45Å; T2163-D2166 PolarHBondContact O-N 3.18Å; T2163-D2166 PolarHBondContact OG1-N 3.34Å; T2163-D2166 VanDerWaalsContact OG1-N 3.1Å; T2163-D2166 PolarHBondContact OG1-OD2 3.23Å; D2166-F2168 PolarHBondContact O-N 3.24Å; D2166-V2169 PolarHBondContact O-N 3.44Å; D2166-N2170 WeakPolarHBondContact O-CB 3.28Å; D2166-N2170 PolarHBondContact O-N 3.29Å; D2166-N2170 PolarHBondContact O-ND2 2.99Å; D2166-N2170 PolarHBondContact O-OD1 3.27Å |
| 2167 | V | 81.6 | Confident | 79.7 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -47.5 | -55.9 | 172.4 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | L2078 K2079 T2163 V2169 N2170 Y2171 | L2078-V2167 HydrophobicContact CB-CG1 4.29Å; L2078-V2167 WeakPolarHBondContact O-CG1 3.27Å; K2079-V2167 HydrophobicContact CB-CG2 4.49Å; K2079-V2167 HydrophobicContact CG-CG2 4.29Å; T2163-V2167 WeakPolarHBondContact O-CG2 3.48Å; T2163-V2167 PolarHBondContact O-N 3.4Å; V2167-V2169 PolarHBondContact O-N 2.74Å; V2167-N2170 PolarHBondContact O-N 3.18Å; V2167-Y2171 WeakPolarHBondContact O-CB 3.16Å; V2167-Y2171 PolarHBondContact O-N 2.9Å |
| 2168 | F | 83.6 | Confident | 79.1 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.2 | -47.1 | -177.9 | 176.4 | -104.3 | 0 | 0 | 0 | 112.4 | P1049 L1892 V1894 M2051 L2063 L2164 D2166 I2172 | P1049-F2168 HydrophobicContact CB-CD1 4.24Å; P1049-F2168 HydrophobicContact CB-CE1 4.39Å; P1049-F2168 HydrophobicContact CG-CD1 4.47Å; P1049-F2168 HydrophobicContact CG-CE1 4.46Å; L1892-F2168 HydrophobicContact CB-CE2 4.36Å; V1894-F2168 HydrophobicContact CG1-CE1 4.32Å; V1894-F2168 HydrophobicContact CG1-CZ 3.97Å; M2051-F2168 HydrophobicContact CE-CB 3.97Å; M2051-F2168 HydrophobicContact CE-CD1 3.51Å; M2051-F2168 HydrophobicContact CE-CD2 3.76Å; M2051-F2168 HydrophobicContact CE-CE1 3.8Å; M2051-F2168 HydrophobicContact CE-CE2 4.04Å; M2051-F2168 HydrophobicContact CE-CG 3.48Å; M2051-F2168 VanDerWaalsContact CE-CG 3.48Å; M2051-F2168 HydrophobicContact CE-CZ 4.04Å; L2063-F2168 HydrophobicContact CD2-CD2 4.15Å; L2164-F2168 VanDerWaalsContact O-CB 3.28Å; L2164-F2168 WeakPolarHBondContact O-CB 3.42Å; L2164-F2168 PolarHBondContact O-N 2.93Å; D2166-F2168 PolarHBondContact O-N 3.24Å; F2168-I2172 HydrophobicContact CD1-CD1 3.77Å; F2168-I2172 HydrophobicContact CD2-CD1 4.08Å; F2168-I2172 HydrophobicContact CE1-CD1 3.44Å; F2168-I2172 VanDerWaalsContact CE1-CD1 3.44Å; F2168-I2172 HydrophobicContact CE2-CD1 3.78Å; F2168-I2172 HydrophobicContact CG-CD1 4.08Å; F2168-I2172 HydrophobicContact CZ-CD1 3.46Å; F2168-I2172 VanDerWaalsContact CZ-CD1 3.46Å; F2168-I2172 WeakPolarHBondContact O-CD1 3.31Å; F2168-I2172 VanDerWaalsContact O-CG1 3.29Å; F2168-I2172 WeakPolarHBondContact O-CG1 3.4Å; F2168-I2172 PolarHBondContact O-N 3.47Å; F2168-I2172 VanDerWaalsContact O-N 3.08Å |
| 2169 | V | 79.8 | Confident | 78.2 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.4 | -33.2 | -177.9 | 172.2 | 0 | 0 | 0 | 0 | 112.1 | P1049 F1050 E2165 D2166 V2167 K2173 | P1049-V2169 HydrophobicContact CB-CG2 4.23Å; F1050-V2169 HydrophobicContact CD2-CG1 4.34Å; E2165-V2169 WeakPolarHBondContact O-CG2 3.21Å; E2165-V2169 PolarHBondContact O-N 2.75Å; D2166-V2169 PolarHBondContact O-N 3.44Å; V2167-V2169 PolarHBondContact O-N 2.74Å; V2169-K2173 HydrophobicContact CG1-CD 4.36Å; V2169-K2173 WeakPolarHBondContact O-CB 3.49Å; V2169-K2173 WeakPolarHBondContact O-CG 3.34Å; V2169-K2173 PolarHBondContact O-N 2.83Å |
| 2170 | N | 79.3 | Confident | 77.2 | Confident | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -45.5 | 175.5 | -64 | -22.5 | 0 | 0 | 0 | 111.1 | I2084 D2166 V2167 I2172 K2173 M2174 | I2084-N2170 VanDerWaalsContact CD1-ND2 3.26Å; I2084-N2170 WeakPolarHBondContact CD1-ND2 3.45Å; I2084-N2170 WeakPolarHBondContact CG1-ND2 3.49Å; D2166-N2170 WeakPolarHBondContact O-CB 3.28Å; D2166-N2170 PolarHBondContact O-N 3.29Å; D2166-N2170 PolarHBondContact O-ND2 2.99Å; D2166-N2170 PolarHBondContact O-OD1 3.27Å; V2167-N2170 PolarHBondContact O-N 3.18Å; N2170-I2172 VanDerWaalsContact C-N 3.34Å; N2170-I2172 PolarHBondContact O-N 3.41Å; N2170-K2173 PolarHBondContact O-N 2.88Å; N2170-M2174 WeakPolarHBondContact O-CG 3.36Å; N2170-M2174 PolarHBondContact O-N 3.38Å |
| 2171 | Y | 82.9 | Confident | 75.9 | Confident | 16 Ų | 16 | 48 Ų | 48 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 176.6 | -175.3 | -101.2 | 0 | 0 | 0 | 111.9 | L2063 I2065 R2070 C2071 Y2082 V2167 M2174 Y2175 L2180 | L2063-Y2171 HydrophobicContact CD1-CD1 3.68Å; L2063-Y2171 HydrophobicContact CD1-CE1 3.99Å; L2063-Y2171 HydrophobicContact CD1-CG 4.17Å; I2065-Y2171 HydrophobicContact CD1-CD1 3.8Å; I2065-Y2171 HydrophobicContact CD1-CE1 3.59Å; R2070-Y2171 PolarHBondContact O-OH 3.1Å; C2071-Y2171 HydrophobicContact CB-CE1 4.31Å; C2071-Y2171 HydrophobicContact CB-CE2 4.45Å; Y2082-Y2171 AromaticContact CD1-CD2 3.64Å; Y2082-Y2171 HydrophobicContact CD1-CD2 3.64Å; Y2082-Y2171 HydrophobicContact CD1-CE2 4.13Å; Y2082-Y2171 HydrophobicContact CD2-CD2 4.35Å; Y2082-Y2171 AromaticContact CE1-CD2 3.67Å; Y2082-Y2171 HydrophobicContact CE1-CD2 3.67Å; Y2082-Y2171 AromaticContact CE1-CE2 3.65Å; Y2082-Y2171 HydrophobicContact CE1-CE2 3.65Å; Y2082-Y2171 HydrophobicContact CE2-CD2 4.38Å; Y2082-Y2171 HydrophobicContact CE2-CE2 4.39Å; Y2082-Y2171 AromaticContact CG-CD2 3.98Å; Y2082-Y2171 HydrophobicContact CG-CD2 3.98Å; Y2082-Y2171 AromaticContact CZ-CE2 3.78Å; V2167-Y2171 WeakPolarHBondContact O-CB 3.16Å; V2167-Y2171 PolarHBondContact O-N 2.9Å; Y2171-M2174 PolarHBondContact O-N 3.39Å; Y2171-Y2175 WeakPolarHBondContact O-CB 3.48Å; Y2171-Y2175 PolarHBondContact O-N 3.1Å; Y2171-L2180 HydrophobicContact CD2-CD1 3.8Å; Y2171-L2180 HydrophobicContact CE2-CD1 3.65Å |
| 2172 | I | 80.9 | Confident | 74.1 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 172.9 | -70.5 | 161.1 | 0 | 0 | 0 | 111.4 | F1050 V1894 I2065 F2168 N2170 M2174 Y2175 E2176 | F1050-I2172 HydrophobicContact CD2-CG2 4.05Å; F1050-I2172 HydrophobicContact CE2-CG2 3.94Å; V1894-I2172 HydrophobicContact CG1-CD1 3.48Å; V1894-I2172 VanDerWaalsContact CG1-CD1 3.48Å; V1894-I2172 HydrophobicContact CG1-CG1 4.47Å; I2065-I2172 HydrophobicContact CD1-CG1 4.23Å; F2168-I2172 HydrophobicContact CD1-CD1 3.77Å; F2168-I2172 HydrophobicContact CD2-CD1 4.08Å; F2168-I2172 HydrophobicContact CE1-CD1 3.44Å; F2168-I2172 VanDerWaalsContact CE1-CD1 3.44Å; F2168-I2172 HydrophobicContact CE2-CD1 3.78Å; F2168-I2172 HydrophobicContact CG-CD1 4.08Å; F2168-I2172 HydrophobicContact CZ-CD1 3.46Å; F2168-I2172 VanDerWaalsContact CZ-CD1 3.46Å; F2168-I2172 WeakPolarHBondContact O-CD1 3.31Å; F2168-I2172 VanDerWaalsContact O-CG1 3.29Å; F2168-I2172 WeakPolarHBondContact O-CG1 3.4Å; F2168-I2172 PolarHBondContact O-N 3.47Å; F2168-I2172 VanDerWaalsContact O-N 3.08Å; N2170-I2172 VanDerWaalsContact C-N 3.34Å; N2170-I2172 PolarHBondContact O-N 3.41Å; I2172-M2174 VanDerWaalsContact C-N 3.34Å; I2172-M2174 PolarHBondContact O-N 3.42Å; I2172-Y2175 PolarHBondContact O-N 3.36Å; I2172-Y2175 VanDerWaalsContact O-N 3.16Å; I2172-E2176 HydrophobicContact CG2-CG 4.21Å; I2172-E2176 WeakPolarHBondContact O-CG 3.4Å; I2172-E2176 PolarHBondContact O-N 3.31Å |
| 2173 | K | 78 | Confident | 71.9 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.1 | -76.7 | 177.6 | 175.9 | -171.1 | 0 | 112.6 | F1050 V2169 N2170 Y2175 N2177 | F1050-K2173 HydrophobicContact CE2-CG 4.5Å; V2169-K2173 HydrophobicContact CG1-CD 4.36Å; V2169-K2173 WeakPolarHBondContact O-CB 3.49Å; V2169-K2173 WeakPolarHBondContact O-CG 3.34Å; V2169-K2173 PolarHBondContact O-N 2.83Å; N2170-K2173 PolarHBondContact O-N 2.88Å; K2173-Y2175 VanDerWaalsContact C-N 3.32Å; K2173-N2177 VanDerWaalsContact O-CB 3.22Å; K2173-N2177 WeakPolarHBondContact O-CB 3.4Å; K2173-N2177 PolarHBondContact O-N 3.04Å; K2173-N2177 PolarHBondContact O-ND2 3.48Å |
| 2174 | M | 79 | Confident | 71.5 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 174.5 | -71.1 | 171.7 | 172.3 | 0 | 0 | 111.5 | N2170 Y2171 I2172 N2178 Q2179 L2180 | N2170-M2174 WeakPolarHBondContact O-CG 3.36Å; N2170-M2174 PolarHBondContact O-N 3.38Å; Y2171-M2174 PolarHBondContact O-N 3.39Å; I2172-M2174 VanDerWaalsContact C-N 3.34Å; I2172-M2174 PolarHBondContact O-N 3.42Å; M2174-N2178 PolarHBondContact O-N 2.87Å; M2174-Q2179 HydrophobicContact CB-CB 4.36Å; M2174-Q2179 WeakPolarHBondContact O-CB 2.87Å; M2174-Q2179 PolarHBondContact O-N 3.35Å; M2174-L2180 HydrophobicContact CB-CD1 3.72Å; M2174-L2180 HydrophobicContact CB-CG 3.97Å |
| 2175 | Y | 77.1 | Confident | 71 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69 | -45.5 | 176.3 | -174.8 | -87.3 | 0 | 0 | 0 | 112.5 | I2065 N2066 Y2171 I2172 K2173 N2177 N2178 | I2065-Y2175 HydrophobicContact CD1-CG 4.5Å; I2065-Y2175 HydrophobicContact CG2-CD1 3.91Å; I2065-Y2175 HydrophobicContact CG2-CE1 3.59Å; I2065-Y2175 HydrophobicContact CG2-CE2 4.34Å; I2065-Y2175 HydrophobicContact CG2-CG 4.41Å; N2066-Y2175 WeakPolarHBondContact ND2-CE1 3.39Å; N2066-Y2175 PolarHBondContact ND2-OH 3.44Å; Y2171-Y2175 WeakPolarHBondContact O-CB 3.48Å; Y2171-Y2175 PolarHBondContact O-N 3.1Å; I2172-Y2175 PolarHBondContact O-N 3.36Å; I2172-Y2175 VanDerWaalsContact O-N 3.16Å; K2173-Y2175 VanDerWaalsContact C-N 3.32Å; Y2175-N2177 VanDerWaalsContact C-N 3.28Å; Y2175-N2177 PolarHBondContact O-N 2.94Å; Y2175-N2178 PolarHBondContact O-N 2.68Å; Y2175-N2178 VanDerWaalsContact O-N 3.1Å |
| 2176 | E | 73.8 | Confident | 70.5 | Confident | 114 Ų | 114 | 67.7 Ų | 67.7 | 53% | 0.533 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -32.3 | 175.6 | -72 | -176.5 | 148.5 | 0 | 0 | 112.5 | F1050 I2172 N2178 | F1050-E2176 WeakPolarHBondContact CZ-OE2 3.45Å; I2172-E2176 HydrophobicContact CG2-CG 4.21Å; I2172-E2176 WeakPolarHBondContact O-CG 3.4Å; I2172-E2176 PolarHBondContact O-N 3.31Å; E2176-N2178 VanDerWaalsContact C-N 3.28Å; E2176-N2178 PolarHBondContact O-N 2.88Å |
| 2177 | N | 76 | Confident | 69.9 | Low | 105 Ų | 105 | 71.6 Ų | 71.6 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 5.6 | 175 | -67.8 | -19.5 | 0 | 0 | 0 | 114 | K2173 Y2175 Q2179 | K2173-N2177 VanDerWaalsContact O-CB 3.22Å; K2173-N2177 WeakPolarHBondContact O-CB 3.4Å; K2173-N2177 PolarHBondContact O-N 3.04Å; K2173-N2177 PolarHBondContact O-ND2 3.48Å; Y2175-N2177 VanDerWaalsContact C-N 3.28Å; Y2175-N2177 PolarHBondContact O-N 2.94Å; N2177-Q2179 HydrophobicContact CB-CG 3.9Å; N2177-Q2179 PolarHBondContact O-N 3.36Å |
| 2178 | N | 66 | Low | 69.1 | Low | 147 Ų | 147 | 76 Ų | 76 | 79% | 0.786 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.6 | -174.7 | -56.9 | -47 | 0 | 0 | 0 | 114.7 | M2174 Y2175 E2176 L2180 | M2174-N2178 PolarHBondContact O-N 2.87Å; Y2175-N2178 PolarHBondContact O-N 2.68Å; Y2175-N2178 VanDerWaalsContact O-N 3.1Å; E2176-N2178 VanDerWaalsContact C-N 3.28Å; E2176-N2178 PolarHBondContact O-N 2.88Å; N2178-L2180 VanDerWaalsContact C-N 3.32Å |
| 2179 | Q | 62.4 | Low | 68.2 | Low | 129 Ų | 129 | 80.7 Ų | 80.7 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | trans | -85 | -1.6 | -179.2 | -65.7 | 178.7 | -37.2 | 0 | 0 | 113.7 | M2174 N2177 | M2174-Q2179 HydrophobicContact CB-CB 4.36Å; M2174-Q2179 WeakPolarHBondContact O-CB 2.87Å; M2174-Q2179 PolarHBondContact O-N 3.35Å; N2177-Q2179 HydrophobicContact CB-CG 3.9Å; N2177-Q2179 PolarHBondContact O-N 3.36Å | ||
| 2180 | L | 60.3 | Low | 67.4 | Low | 51 Ų | 51 | 86.3 Ų | 86.3 | 27% | 0.267 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -121.5 | 137.8 | 179.4 | -69 | 168.2 | 0 | 0 | 0 | 110.2 | Y2171 M2174 N2178 | Y2171-L2180 HydrophobicContact CD2-CD1 3.8Å; Y2171-L2180 HydrophobicContact CE2-CD1 3.65Å; M2174-L2180 HydrophobicContact CB-CD1 3.72Å; M2174-L2180 HydrophobicContact CB-CG 3.97Å; N2178-L2180 VanDerWaalsContact C-N 3.32Å |
| 2181 | P | 51.1 | Low | 66.4 | Low | 110 Ų | 110 | 91.3 Ų | 91.3 | 71% | 0.714 | 48% | 0.478 | S | S | * | . | trans | -64.8 | 142.5 | 176.7 | 28.3 | -34.7 | 0 | 0 | 0 | 111 | N2183 | P2181-N2183 PolarHBondContact O-N 3.21Å; P2181-N2183 VanDerWaalsContact O-N 3.07Å | ||
| 2182 | S | 42 | Very low | 65.1 | Low | 90 Ų | 90 | 97.6 Ų | 97.6 | 63% | 0.629 | 51% | 0.513 | S | S | * | . | trans | -83 | 27.6 | -169.4 | 61.7 | 0 | 0 | 0 | 0 | 115.2 | R2070 | R2070-S2182 PolarHBondContact NH1-O 3.22Š| ||
| 2183 | N | 34.4 | Very low | 63.6 | Low | 192 Ų | 192 | 105.5 Ų | 105.5 | 100% | 1.027 | 56% | 0.555 | S | S | * | * | trans | -88.5 | 0 | -177 | -65 | 4.1 | 0 | 0 | 0 | 113.2 | R2070 P2181 | R2070-N2183 PolarHBondContact NH1-O 3.29Å; P2181-N2183 PolarHBondContact O-N 3.21Å; P2181-N2183 VanDerWaalsContact O-N 3.07Å |
Retrieved 2,183 of 2,183 residues in 1887.6 ms
(Link to these results)